USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 796 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 798 ASN : amide:sc= -2.51 K(o=-1.3,f=-6.3!) USER MOD Set 1.2: A 799 CYS SG : rot 163:sc= 1.22 USER MOD Set 2.1: A 773 MET CE :methyl -129:sc= -13.5! (180deg=-16!) USER MOD Set 2.2: A 782 TYR OH : rot 23:sc= -3.88 USER MOD Set 3.1: A 742 HIS : no HD1:sc= -3.71! C(o=-6.8!,f=-8.3!) USER MOD Set 3.2: A 743 GLN : amide:sc= -1.52 K(o=-6.8,f=-9.1!) USER MOD Set 3.3: A 744 SER OG : rot -15:sc= -1.62 USER MOD Set 4.1: A 727 GLN : amide:sc= -0.458 K(o=0.75,f=-0.38!) USER MOD Set 4.2: A 731 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 729 TYR OH : rot 180:sc= -0.431 USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 733 LYS NZ :NH3+ 154:sc= -0.0399 (180deg=-0.392) USER MOD Single : A 734 SER OG : rot 180:sc= 0 USER MOD Single : A 737 GLN : amide:sc= -2.75! C(o=-2.8!,f=-4.2!) USER MOD Single : A 738 GLN :FLIP amide:sc= -0.731 F(o=-2.1,f=-0.73) USER MOD Single : A 740 LYS NZ :NH3+ -111:sc= -1.08 (180deg=-3.01!) USER MOD Single : A 741 SER OG : rot 92:sc= 1.2 USER MOD Single : A 749 MET CE :methyl 179:sc= -4.58! (180deg=-4.76!) USER MOD Single : A 768 MET CE :methyl -177:sc= -0.0123 (180deg=-0.0187) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 772 THR OG1 : rot 180:sc= 0 USER MOD Single : A 774 SER OG : rot -25:sc=0.000398 USER MOD Single : A 778 LYS NZ :NH3+ 165:sc= -0.017 (180deg=-0.18) USER MOD Single : A 779 ASN : amide:sc= -11.6! C(o=-12!,f=-11!) USER MOD Single : A 781 TYR OH : rot 180:sc= 0 USER MOD Single : A 784 SER OG : rot 180:sc= 0 USER MOD Single : A 785 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 786 LYS NZ :NH3+ 136:sc= 0.734 (180deg=-0.609) USER MOD Single : A 789 MET CE :methyl 131:sc= -12.3! (180deg=-19.3!) USER MOD Single : A 793 GLN :FLIP amide:sc= -2.87 F(o=-6.2!,f=-2.9) USER MOD Single : A 797 THR OG1 : rot -43:sc= -2.6 USER MOD Single : A 800 LYS NZ :NH3+ 158:sc= 0.473 (180deg=0.21) USER MOD Single : A 802 TYR OH : rot 180:sc= 0 USER MOD Single : A 803 ASN : amide:sc= -2.22 K(o=-2.2,f=-3.2!) USER MOD Single : A 807 SER OG : rot 17:sc= -1.16 USER MOD Single : A 809 TYR OH : rot 180:sc= 0 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 811 LYS NZ :NH3+ -159:sc= -1.11 (180deg=-1.99!) USER MOD Single : A 812 CYS SG : rot -160:sc= -2.81! USER MOD Single : A 814 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 818 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.162) USER MOD Single : A 822 SER OG : rot -9:sc= 1.1 USER MOD Single : A 823 LYS NZ :NH3+ 153:sc= -3.92! (180deg=-5.27!) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 724 -21.007 5.736 -3.871 1.00 0.00 N ATOM 143 CA ASP A 724 -20.925 6.833 -2.912 1.00 0.00 C ATOM 144 C ASP A 724 -19.467 7.120 -2.556 1.00 0.00 C ATOM 145 O ASP A 724 -18.679 6.196 -2.359 1.00 0.00 O ATOM 146 CB ASP A 724 -21.723 6.521 -1.651 1.00 0.00 C ATOM 147 CG ASP A 724 -23.146 6.094 -1.953 1.00 0.00 C ATOM 148 OD1 ASP A 724 -23.364 4.888 -2.195 1.00 0.00 O ATOM 149 OD2 ASP A 724 -24.041 6.964 -1.949 1.00 0.00 O ATOM 0 HA ASP A 724 -21.357 7.719 -3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -21.221 5.730 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -21.740 7.402 -1.009 1.00 0.00 H new ATOM 154 N PRO A 725 -19.084 8.405 -2.465 1.00 0.00 N ATOM 155 CA PRO A 725 -17.716 8.795 -2.150 1.00 0.00 C ATOM 156 C PRO A 725 -17.398 8.657 -0.667 1.00 0.00 C ATOM 157 O PRO A 725 -16.240 8.741 -0.264 1.00 0.00 O ATOM 158 CB PRO A 725 -17.641 10.270 -2.584 1.00 0.00 C ATOM 159 CG PRO A 725 -18.978 10.599 -3.173 1.00 0.00 C ATOM 160 CD PRO A 725 -19.939 9.576 -2.643 1.00 0.00 C ATOM 0 HA PRO A 725 -16.991 8.157 -2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -17.420 10.915 -1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -16.846 10.421 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -19.289 11.605 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -18.940 10.569 -4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -20.394 9.893 -1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -20.753 9.382 -3.342 1.00 0.00 H new ATOM 168 N ASP A 726 -18.431 8.416 0.139 1.00 0.00 N ATOM 169 CA ASP A 726 -18.258 8.287 1.581 1.00 0.00 C ATOM 170 C ASP A 726 -18.063 6.831 1.946 1.00 0.00 C ATOM 171 O ASP A 726 -17.063 6.459 2.561 1.00 0.00 O ATOM 172 CB ASP A 726 -19.462 8.867 2.323 1.00 0.00 C ATOM 173 CG ASP A 726 -19.355 8.689 3.826 1.00 0.00 C ATOM 174 OD1 ASP A 726 -18.576 9.432 4.458 1.00 0.00 O ATOM 175 OD2 ASP A 726 -20.048 7.803 4.370 1.00 0.00 O ATOM 0 H ASP A 726 -19.393 8.307 -0.183 1.00 0.00 H new ATOM 0 HA ASP A 726 -17.373 8.849 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -19.552 9.928 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -20.372 8.385 1.966 1.00 0.00 H new ATOM 180 N GLN A 727 -19.036 6.011 1.571 1.00 0.00 N ATOM 181 CA GLN A 727 -18.961 4.589 1.825 1.00 0.00 C ATOM 182 C GLN A 727 -17.649 4.050 1.262 1.00 0.00 C ATOM 183 O GLN A 727 -17.007 3.192 1.862 1.00 0.00 O ATOM 184 CB GLN A 727 -20.169 3.891 1.233 1.00 0.00 C ATOM 185 CG GLN A 727 -19.814 2.931 0.164 1.00 0.00 C ATOM 186 CD GLN A 727 -19.434 1.561 0.695 1.00 0.00 C ATOM 187 OE1 GLN A 727 -19.977 1.099 1.698 1.00 0.00 O ATOM 188 NE2 GLN A 727 -18.485 0.911 0.033 1.00 0.00 N ATOM 0 H GLN A 727 -19.884 6.312 1.090 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.973 4.395 2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -20.702 3.364 2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -20.853 4.638 0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -20.658 2.828 -0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -18.983 3.333 -0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -18.061 1.331 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -18.179 -0.009 0.351 1.00 0.00 H new ATOM 197 N LEU A 728 -17.258 4.583 0.105 1.00 0.00 N ATOM 198 CA LEU A 728 -16.009 4.203 -0.545 1.00 0.00 C ATOM 199 C LEU A 728 -14.851 4.729 0.256 1.00 0.00 C ATOM 200 O LEU A 728 -14.098 3.965 0.818 1.00 0.00 O ATOM 201 CB LEU A 728 -15.955 4.791 -1.946 1.00 0.00 C ATOM 202 CG LEU A 728 -16.219 3.801 -3.057 1.00 0.00 C ATOM 203 CD1 LEU A 728 -16.159 4.487 -4.402 1.00 0.00 C ATOM 204 CD2 LEU A 728 -15.210 2.682 -2.963 1.00 0.00 C ATOM 0 H LEU A 728 -17.795 5.285 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 728 -15.954 3.116 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -16.685 5.597 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -14.972 5.237 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 728 -17.220 3.384 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -16.351 3.759 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -16.912 5.274 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -15.170 4.923 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -15.391 1.961 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -14.204 3.090 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -15.305 2.186 -1.997 1.00 0.00 H new ATOM 216 N TYR A 729 -14.758 6.045 0.366 1.00 0.00 N ATOM 217 CA TYR A 729 -13.672 6.660 1.105 1.00 0.00 C ATOM 218 C TYR A 729 -13.286 5.831 2.322 1.00 0.00 C ATOM 219 O TYR A 729 -12.177 5.338 2.396 1.00 0.00 O ATOM 220 CB TYR A 729 -14.081 8.071 1.533 1.00 0.00 C ATOM 221 CG TYR A 729 -13.480 8.524 2.831 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.125 8.574 2.947 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.253 8.890 3.924 1.00 0.00 C ATOM 224 CE1 TYR A 729 -11.512 8.969 4.101 1.00 0.00 C ATOM 225 CE2 TYR A 729 -13.657 9.297 5.105 1.00 0.00 C ATOM 226 CZ TYR A 729 -12.279 9.334 5.189 1.00 0.00 C ATOM 227 OH TYR A 729 -11.671 9.734 6.356 1.00 0.00 O ATOM 0 H TYR A 729 -15.419 6.703 -0.046 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.800 6.713 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.794 8.773 0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -15.167 8.112 1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.516 8.293 2.100 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.330 8.857 3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -10.434 8.996 4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -14.263 9.583 5.952 1.00 0.00 H new ATOM 0 HH TYR A 729 -12.355 9.957 7.021 1.00 0.00 H new ATOM 237 N SER A 730 -14.187 5.625 3.253 1.00 0.00 N ATOM 238 CA SER A 730 -13.815 4.860 4.428 1.00 0.00 C ATOM 239 C SER A 730 -13.690 3.355 4.184 1.00 0.00 C ATOM 240 O SER A 730 -13.027 2.665 4.955 1.00 0.00 O ATOM 241 CB SER A 730 -14.671 5.208 5.609 1.00 0.00 C ATOM 242 OG SER A 730 -14.799 4.117 6.505 1.00 0.00 O ATOM 0 H SER A 730 -15.150 5.961 3.229 1.00 0.00 H new ATOM 0 HA SER A 730 -12.799 5.166 4.676 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.238 6.060 6.133 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.659 5.514 5.265 1.00 0.00 H new ATOM 0 HG SER A 730 -15.362 4.380 7.263 1.00 0.00 H new ATOM 248 N THR A 731 -14.333 2.831 3.146 1.00 0.00 N ATOM 249 CA THR A 731 -14.154 1.437 2.785 1.00 0.00 C ATOM 250 C THR A 731 -12.707 1.297 2.401 1.00 0.00 C ATOM 251 O THR A 731 -11.948 0.521 2.973 1.00 0.00 O ATOM 252 CB THR A 731 -15.062 1.055 1.611 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.375 0.739 2.087 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.500 -0.117 0.851 1.00 0.00 C ATOM 0 H THR A 731 -14.976 3.348 2.547 1.00 0.00 H new ATOM 0 HA THR A 731 -14.417 0.776 3.611 1.00 0.00 H new ATOM 0 HB THR A 731 -15.118 1.908 0.935 1.00 0.00 H new ATOM 0 HG1 THR A 731 -16.853 1.567 2.302 1.00 0.00 H new ATOM 0 HG21 THR A 731 -15.164 -0.367 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.515 0.141 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.413 -0.975 1.518 1.00 0.00 H new ATOM 262 N LEU A 732 -12.358 2.134 1.456 1.00 0.00 N ATOM 263 CA LEU A 732 -11.030 2.250 0.921 1.00 0.00 C ATOM 264 C LEU A 732 -10.067 2.708 2.009 1.00 0.00 C ATOM 265 O LEU A 732 -8.882 2.382 1.986 1.00 0.00 O ATOM 266 CB LEU A 732 -11.071 3.291 -0.189 1.00 0.00 C ATOM 267 CG LEU A 732 -12.273 3.214 -1.131 1.00 0.00 C ATOM 268 CD1 LEU A 732 -12.476 4.548 -1.784 1.00 0.00 C ATOM 269 CD2 LEU A 732 -12.038 2.175 -2.164 1.00 0.00 C ATOM 0 H LEU A 732 -13.020 2.778 1.023 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.690 1.287 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -11.054 4.281 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -10.162 3.197 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 732 -13.165 2.949 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -13.332 4.497 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -12.659 5.303 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -11.584 4.815 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -12.898 2.125 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -11.147 2.428 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.897 1.208 -1.682 1.00 0.00 H new ATOM 281 N LYS A 733 -10.595 3.480 2.956 1.00 0.00 N ATOM 282 CA LYS A 733 -9.805 4.000 4.062 1.00 0.00 C ATOM 283 C LYS A 733 -9.461 2.885 5.031 1.00 0.00 C ATOM 284 O LYS A 733 -8.339 2.804 5.526 1.00 0.00 O ATOM 285 CB LYS A 733 -10.549 5.117 4.776 1.00 0.00 C ATOM 286 CG LYS A 733 -9.822 5.658 5.976 1.00 0.00 C ATOM 287 CD LYS A 733 -8.718 6.623 5.581 1.00 0.00 C ATOM 288 CE LYS A 733 -8.821 7.926 6.350 1.00 0.00 C ATOM 289 NZ LYS A 733 -8.827 7.705 7.823 1.00 0.00 N ATOM 0 H LYS A 733 -11.576 3.759 2.976 1.00 0.00 H new ATOM 0 HA LYS A 733 -8.879 4.411 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -10.726 5.931 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -11.526 4.748 5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -10.530 6.165 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.396 4.832 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -7.747 6.164 5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -8.774 6.825 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -7.984 8.571 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -9.732 8.448 6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -8.463 8.553 8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -9.799 7.517 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -8.223 6.890 8.054 1.00 0.00 H new ATOM 303 N SER A 734 -10.437 2.028 5.292 1.00 0.00 N ATOM 304 CA SER A 734 -10.237 0.897 6.179 1.00 0.00 C ATOM 305 C SER A 734 -9.351 -0.119 5.482 1.00 0.00 C ATOM 306 O SER A 734 -8.520 -0.771 6.112 1.00 0.00 O ATOM 307 CB SER A 734 -11.580 0.269 6.561 1.00 0.00 C ATOM 308 OG SER A 734 -11.397 -0.977 7.210 1.00 0.00 O ATOM 0 H SER A 734 -11.376 2.097 4.900 1.00 0.00 H new ATOM 0 HA SER A 734 -9.755 1.233 7.097 1.00 0.00 H new ATOM 0 HB2 SER A 734 -12.128 0.946 7.216 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.187 0.130 5.666 1.00 0.00 H new ATOM 0 HG SER A 734 -12.270 -1.355 7.444 1.00 0.00 H new ATOM 314 N ILE A 735 -9.543 -0.257 4.171 1.00 0.00 N ATOM 315 CA ILE A 735 -8.732 -1.158 3.388 1.00 0.00 C ATOM 316 C ILE A 735 -7.299 -0.682 3.418 1.00 0.00 C ATOM 317 O ILE A 735 -6.466 -1.321 4.041 1.00 0.00 O ATOM 318 CB ILE A 735 -9.231 -1.204 1.932 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.580 -1.916 1.880 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.212 -1.867 1.007 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.544 -1.313 0.903 1.00 0.00 C ATOM 0 H ILE A 735 -10.253 0.246 3.640 1.00 0.00 H new ATOM 0 HA ILE A 735 -8.801 -2.161 3.810 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.357 -0.183 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.419 -2.962 1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -11.027 -1.901 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.600 -1.881 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.278 -1.305 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -8.030 -2.889 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -12.479 -1.872 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.736 -0.275 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -11.118 -1.353 -0.100 1.00 0.00 H new ATOM 333 N LEU A 736 -7.043 0.486 2.809 1.00 0.00 N ATOM 334 CA LEU A 736 -5.707 1.067 2.787 1.00 0.00 C ATOM 335 C LEU A 736 -5.095 0.890 4.159 1.00 0.00 C ATOM 336 O LEU A 736 -3.968 0.428 4.299 1.00 0.00 O ATOM 337 CB LEU A 736 -5.798 2.556 2.443 1.00 0.00 C ATOM 338 CG LEU A 736 -5.209 2.996 1.104 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.734 4.373 0.771 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.688 3.012 1.142 1.00 0.00 C ATOM 0 H LEU A 736 -7.750 1.041 2.327 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.090 0.574 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -6.849 2.844 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -5.299 3.117 3.233 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.509 2.282 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -5.321 4.699 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.821 4.341 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.439 5.074 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.303 3.330 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.351 3.706 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.319 2.012 1.369 1.00 0.00 H new ATOM 352 N GLN A 737 -5.883 1.245 5.166 1.00 0.00 N ATOM 353 CA GLN A 737 -5.485 1.106 6.553 1.00 0.00 C ATOM 354 C GLN A 737 -4.836 -0.250 6.776 1.00 0.00 C ATOM 355 O GLN A 737 -3.669 -0.348 7.153 1.00 0.00 O ATOM 356 CB GLN A 737 -6.717 1.228 7.437 1.00 0.00 C ATOM 357 CG GLN A 737 -6.762 2.484 8.264 1.00 0.00 C ATOM 358 CD GLN A 737 -6.120 3.682 7.588 1.00 0.00 C ATOM 359 OE1 GLN A 737 -6.778 4.427 6.861 1.00 0.00 O ATOM 360 NE2 GLN A 737 -4.829 3.878 7.830 1.00 0.00 N ATOM 0 H GLN A 737 -6.816 1.637 5.039 1.00 0.00 H new ATOM 0 HA GLN A 737 -4.768 1.888 6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -7.607 1.189 6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -6.759 0.366 8.103 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -7.801 2.721 8.493 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -6.260 2.301 9.214 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -4.321 3.236 8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -4.345 4.670 7.407 1.00 0.00 H new ATOM 369 N GLN A 738 -5.620 -1.291 6.525 1.00 0.00 N ATOM 370 CA GLN A 738 -5.177 -2.656 6.682 1.00 0.00 C ATOM 371 C GLN A 738 -4.048 -3.035 5.742 1.00 0.00 C ATOM 372 O GLN A 738 -3.132 -3.740 6.145 1.00 0.00 O ATOM 373 CB GLN A 738 -6.352 -3.558 6.472 1.00 0.00 C ATOM 374 CG GLN A 738 -7.338 -3.399 7.589 1.00 0.00 C ATOM 375 CD GLN A 738 -6.714 -3.596 8.965 1.00 0.00 C ATOM 376 OE1 GLN A 738 -5.657 -4.407 9.037 1.00 0.00 O flip ATOM 377 NE2 GLN A 738 -7.173 -3.022 9.952 1.00 0.00 N flip ATOM 0 H GLN A 738 -6.585 -1.204 6.206 1.00 0.00 H new ATOM 0 HA GLN A 738 -4.774 -2.764 7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -6.830 -3.327 5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -6.018 -4.594 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -7.782 -2.405 7.536 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.148 -4.117 7.457 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -7.983 -2.410 9.855 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -6.743 -3.159 10.867 1.00 0.00 H new ATOM 386 N VAL A 739 -4.121 -2.606 4.484 1.00 0.00 N ATOM 387 CA VAL A 739 -3.062 -2.928 3.544 1.00 0.00 C ATOM 388 C VAL A 739 -1.738 -2.491 4.148 1.00 0.00 C ATOM 389 O VAL A 739 -0.792 -3.270 4.219 1.00 0.00 O ATOM 390 CB VAL A 739 -3.263 -2.290 2.131 1.00 0.00 C ATOM 391 CG1 VAL A 739 -4.695 -1.865 1.883 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.313 -1.133 1.897 1.00 0.00 C ATOM 0 H VAL A 739 -4.885 -2.048 4.103 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.078 -4.005 3.378 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.029 -3.073 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -4.778 -1.429 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.350 -2.733 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -4.990 -1.126 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -2.484 -0.717 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -2.486 -0.362 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.284 -1.486 1.970 1.00 0.00 H new ATOM 402 N LYS A 740 -1.711 -1.254 4.631 1.00 0.00 N ATOM 403 CA LYS A 740 -0.530 -0.700 5.264 1.00 0.00 C ATOM 404 C LYS A 740 -0.253 -1.477 6.542 1.00 0.00 C ATOM 405 O LYS A 740 0.889 -1.612 6.981 1.00 0.00 O ATOM 406 CB LYS A 740 -0.751 0.767 5.589 1.00 0.00 C ATOM 407 CG LYS A 740 -1.350 1.592 4.460 1.00 0.00 C ATOM 408 CD LYS A 740 -2.274 2.678 4.988 1.00 0.00 C ATOM 409 CE LYS A 740 -1.509 3.738 5.766 1.00 0.00 C ATOM 410 NZ LYS A 740 -0.499 4.426 4.917 1.00 0.00 N ATOM 0 H LYS A 740 -2.504 -0.614 4.593 1.00 0.00 H new ATOM 0 HA LYS A 740 0.321 -0.780 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -1.406 0.837 6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 740 0.204 1.208 5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -0.549 2.047 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -1.904 0.939 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -2.799 3.146 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -3.032 2.230 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -2.209 4.472 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -1.012 3.275 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 0.457 4.160 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -0.630 4.144 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -0.617 5.456 5.003 1.00 0.00 H new ATOM 424 N SER A 741 -1.336 -1.984 7.126 1.00 0.00 N ATOM 425 CA SER A 741 -1.275 -2.769 8.349 1.00 0.00 C ATOM 426 C SER A 741 -0.945 -4.222 8.032 1.00 0.00 C ATOM 427 O SER A 741 -0.704 -5.028 8.931 1.00 0.00 O ATOM 428 CB SER A 741 -2.609 -2.695 9.079 1.00 0.00 C ATOM 429 OG SER A 741 -2.935 -1.358 9.418 1.00 0.00 O ATOM 0 H SER A 741 -2.280 -1.860 6.761 1.00 0.00 H new ATOM 0 HA SER A 741 -0.490 -2.360 8.986 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.394 -3.115 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 741 -2.566 -3.302 9.983 1.00 0.00 H new ATOM 0 HG SER A 741 -3.474 -0.961 8.702 1.00 0.00 H new ATOM 435 N HIS A 742 -0.937 -4.545 6.742 1.00 0.00 N ATOM 436 CA HIS A 742 -0.654 -5.909 6.292 1.00 0.00 C ATOM 437 C HIS A 742 0.840 -6.203 6.277 1.00 0.00 C ATOM 438 O HIS A 742 1.261 -7.216 5.723 1.00 0.00 O ATOM 439 CB HIS A 742 -1.234 -6.156 4.893 1.00 0.00 C ATOM 440 CG HIS A 742 -1.402 -7.609 4.576 1.00 0.00 C ATOM 441 ND1 HIS A 742 -0.650 -8.260 3.622 1.00 0.00 N ATOM 442 CD2 HIS A 742 -2.234 -8.540 5.098 1.00 0.00 C ATOM 443 CE1 HIS A 742 -1.011 -9.528 3.570 1.00 0.00 C ATOM 444 NE2 HIS A 742 -1.970 -9.725 4.456 1.00 0.00 N ATOM 0 H HIS A 742 -1.123 -3.883 5.988 1.00 0.00 H new ATOM 0 HA HIS A 742 -1.131 -6.581 7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -2.201 -5.659 4.814 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.580 -5.701 4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 742 -2.968 -8.381 5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 742 -0.593 -10.277 2.914 1.00 0.00 H new ATOM 0 HE2 HIS A 742 -2.439 -10.613 4.635 1.00 0.00 H new ATOM 453 N GLN A 743 1.631 -5.328 6.902 1.00 0.00 N ATOM 454 CA GLN A 743 3.074 -5.484 6.948 1.00 0.00 C ATOM 455 C GLN A 743 3.697 -5.300 5.566 1.00 0.00 C ATOM 456 O GLN A 743 4.449 -4.359 5.346 1.00 0.00 O ATOM 457 CB GLN A 743 3.445 -6.846 7.530 1.00 0.00 C ATOM 458 CG GLN A 743 4.880 -7.246 7.247 1.00 0.00 C ATOM 459 CD GLN A 743 5.002 -8.130 6.016 1.00 0.00 C ATOM 460 OE1 GLN A 743 4.106 -8.918 5.717 1.00 0.00 O ATOM 461 NE2 GLN A 743 6.107 -7.997 5.290 1.00 0.00 N ATOM 0 H GLN A 743 1.286 -4.499 7.385 1.00 0.00 H new ATOM 0 HA GLN A 743 3.475 -4.707 7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 743 3.285 -6.829 8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.776 -7.603 7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 743 5.484 -6.349 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 743 5.285 -7.773 8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 743 6.826 -7.331 5.573 1.00 0.00 H new ATOM 0 HE22 GLN A 743 6.236 -8.560 4.450 1.00 0.00 H new ATOM 470 N SER A 744 3.365 -6.202 4.650 1.00 0.00 N ATOM 471 CA SER A 744 3.876 -6.180 3.285 1.00 0.00 C ATOM 472 C SER A 744 3.819 -4.785 2.684 1.00 0.00 C ATOM 473 O SER A 744 4.641 -4.417 1.854 1.00 0.00 O ATOM 474 CB SER A 744 3.042 -7.137 2.445 1.00 0.00 C ATOM 475 OG SER A 744 2.829 -8.343 3.148 1.00 0.00 O ATOM 0 H SER A 744 2.728 -6.976 4.836 1.00 0.00 H new ATOM 0 HA SER A 744 4.922 -6.486 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.085 -6.677 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.549 -7.342 1.502 1.00 0.00 H new ATOM 0 HG SER A 744 3.454 -8.397 3.901 1.00 0.00 H new ATOM 481 N ALA A 745 2.859 -4.005 3.130 1.00 0.00 N ATOM 482 CA ALA A 745 2.680 -2.660 2.625 1.00 0.00 C ATOM 483 C ALA A 745 3.583 -1.694 3.364 1.00 0.00 C ATOM 484 O ALA A 745 3.314 -0.497 3.426 1.00 0.00 O ATOM 485 CB ALA A 745 1.231 -2.267 2.734 1.00 0.00 C ATOM 0 H ALA A 745 2.186 -4.280 3.846 1.00 0.00 H new ATOM 0 HA ALA A 745 2.961 -2.625 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.099 -1.254 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.622 -2.957 2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 745 0.921 -2.305 3.778 1.00 0.00 H new ATOM 491 N TRP A 746 4.661 -2.237 3.929 1.00 0.00 N ATOM 492 CA TRP A 746 5.619 -1.439 4.672 1.00 0.00 C ATOM 493 C TRP A 746 6.363 -0.447 3.771 1.00 0.00 C ATOM 494 O TRP A 746 6.749 0.623 4.238 1.00 0.00 O ATOM 495 CB TRP A 746 6.593 -2.325 5.460 1.00 0.00 C ATOM 496 CG TRP A 746 7.432 -3.266 4.645 1.00 0.00 C ATOM 497 CD1 TRP A 746 7.103 -4.516 4.206 1.00 0.00 C ATOM 498 CD2 TRP A 746 8.762 -3.030 4.207 1.00 0.00 C ATOM 499 NE1 TRP A 746 8.156 -5.070 3.521 1.00 0.00 N ATOM 500 CE2 TRP A 746 9.189 -4.171 3.507 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.626 -1.956 4.342 1.00 0.00 C ATOM 502 CZ2 TRP A 746 10.460 -4.263 2.945 1.00 0.00 C ATOM 503 CZ3 TRP A 746 10.886 -2.040 3.786 1.00 0.00 C ATOM 504 CH2 TRP A 746 11.294 -3.188 3.095 1.00 0.00 C ATOM 0 H TRP A 746 4.888 -3.230 3.882 1.00 0.00 H new ATOM 0 HA TRP A 746 5.053 -0.849 5.393 1.00 0.00 H new ATOM 0 HB2 TRP A 746 7.259 -1.679 6.033 1.00 0.00 H new ATOM 0 HB3 TRP A 746 6.020 -2.910 6.179 1.00 0.00 H new ATOM 0 HD1 TRP A 746 6.152 -4.999 4.373 1.00 0.00 H new ATOM 0 HE1 TRP A 746 8.167 -5.996 3.094 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.319 -1.068 4.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 10.775 -5.148 2.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.568 -1.208 3.885 1.00 0.00 H new ATOM 0 HH2 TRP A 746 12.287 -3.226 2.672 1.00 0.00 H new ATOM 515 N PRO A 747 6.605 -0.767 2.478 1.00 0.00 N ATOM 516 CA PRO A 747 7.255 0.166 1.583 1.00 0.00 C ATOM 517 C PRO A 747 6.246 1.054 0.880 1.00 0.00 C ATOM 518 O PRO A 747 6.469 2.251 0.713 1.00 0.00 O ATOM 519 CB PRO A 747 7.947 -0.718 0.565 1.00 0.00 C ATOM 520 CG PRO A 747 7.184 -2.007 0.556 1.00 0.00 C ATOM 521 CD PRO A 747 6.318 -2.042 1.797 1.00 0.00 C ATOM 0 HA PRO A 747 7.935 0.830 2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 747 7.943 -0.255 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 747 8.990 -0.883 0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 747 6.569 -2.080 -0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 747 7.868 -2.856 0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.262 -2.128 1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.564 -2.895 2.430 1.00 0.00 H new ATOM 529 N PHE A 748 5.136 0.456 0.458 1.00 0.00 N ATOM 530 CA PHE A 748 4.096 1.200 -0.223 1.00 0.00 C ATOM 531 C PHE A 748 3.670 2.367 0.639 1.00 0.00 C ATOM 532 O PHE A 748 3.570 3.495 0.173 1.00 0.00 O ATOM 533 CB PHE A 748 2.867 0.325 -0.492 1.00 0.00 C ATOM 534 CG PHE A 748 3.141 -1.063 -0.969 1.00 0.00 C ATOM 535 CD1 PHE A 748 4.263 -1.333 -1.697 1.00 0.00 C ATOM 536 CD2 PHE A 748 2.260 -2.093 -0.689 1.00 0.00 C ATOM 537 CE1 PHE A 748 4.529 -2.611 -2.148 1.00 0.00 C ATOM 538 CE2 PHE A 748 2.513 -3.373 -1.131 1.00 0.00 C ATOM 539 CZ PHE A 748 3.653 -3.629 -1.861 1.00 0.00 C ATOM 0 H PHE A 748 4.939 -0.538 0.578 1.00 0.00 H new ATOM 0 HA PHE A 748 4.499 1.544 -1.175 1.00 0.00 H new ATOM 0 HB2 PHE A 748 2.282 0.263 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 748 2.245 0.826 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 748 4.954 -0.535 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 748 1.365 -1.891 -0.118 1.00 0.00 H new ATOM 0 HE1 PHE A 748 5.421 -2.809 -2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 748 1.821 -4.172 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 748 3.858 -4.631 -2.208 1.00 0.00 H new ATOM 549 N MET A 749 3.438 2.082 1.913 1.00 0.00 N ATOM 550 CA MET A 749 2.995 3.098 2.845 1.00 0.00 C ATOM 551 C MET A 749 3.883 4.316 2.790 1.00 0.00 C ATOM 552 O MET A 749 3.395 5.435 2.839 1.00 0.00 O ATOM 553 CB MET A 749 2.936 2.559 4.270 1.00 0.00 C ATOM 554 CG MET A 749 4.231 1.931 4.751 1.00 0.00 C ATOM 555 SD MET A 749 4.109 1.235 6.416 1.00 0.00 S ATOM 556 CE MET A 749 2.334 1.125 6.646 1.00 0.00 C ATOM 0 H MET A 749 3.551 1.154 2.321 1.00 0.00 H new ATOM 0 HA MET A 749 1.988 3.389 2.546 1.00 0.00 H new ATOM 0 HB2 MET A 749 2.668 3.373 4.944 1.00 0.00 H new ATOM 0 HB3 MET A 749 2.140 1.817 4.333 1.00 0.00 H new ATOM 0 HG2 MET A 749 4.526 1.145 4.056 1.00 0.00 H new ATOM 0 HG3 MET A 749 5.020 2.683 4.735 1.00 0.00 H new ATOM 0 HE1 MET A 749 2.120 0.695 7.625 1.00 0.00 H new ATOM 0 HE2 MET A 749 1.897 2.121 6.584 1.00 0.00 H new ATOM 0 HE3 MET A 749 1.905 0.491 5.870 1.00 0.00 H new ATOM 790 N ILE A 764 10.529 3.854 -12.498 1.00 0.00 N ATOM 791 CA ILE A 764 9.225 4.085 -11.946 1.00 0.00 C ATOM 792 C ILE A 764 8.619 5.380 -12.453 1.00 0.00 C ATOM 793 O ILE A 764 8.856 6.454 -11.899 1.00 0.00 O ATOM 794 CB ILE A 764 9.325 4.115 -10.417 1.00 0.00 C ATOM 795 CG1 ILE A 764 9.759 2.758 -9.864 1.00 0.00 C ATOM 796 CG2 ILE A 764 8.033 4.538 -9.793 1.00 0.00 C ATOM 797 CD1 ILE A 764 8.978 1.587 -10.384 1.00 0.00 C ATOM 0 HA ILE A 764 8.570 3.273 -12.264 1.00 0.00 H new ATOM 0 HB ILE A 764 10.086 4.852 -10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 764 10.813 2.606 -10.098 1.00 0.00 H new ATOM 0 HG13 ILE A 764 9.674 2.780 -8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 764 8.139 4.548 -8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 764 7.770 5.537 -10.142 1.00 0.00 H new ATOM 0 HG23 ILE A 764 7.247 3.837 -10.074 1.00 0.00 H new ATOM 0 HD11 ILE A 764 9.357 0.669 -9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 764 7.926 1.708 -10.127 1.00 0.00 H new ATOM 0 HD13 ILE A 764 9.083 1.532 -11.468 1.00 0.00 H new ATOM 809 N ARG A 765 7.846 5.269 -13.520 1.00 0.00 N ATOM 810 CA ARG A 765 7.185 6.423 -14.093 1.00 0.00 C ATOM 811 C ARG A 765 6.094 6.931 -13.152 1.00 0.00 C ATOM 812 O ARG A 765 5.791 8.124 -13.129 1.00 0.00 O ATOM 813 CB ARG A 765 6.592 6.067 -15.455 1.00 0.00 C ATOM 814 CG ARG A 765 6.091 7.267 -16.236 1.00 0.00 C ATOM 815 CD ARG A 765 7.231 8.190 -16.617 1.00 0.00 C ATOM 816 NE ARG A 765 6.850 9.132 -17.666 1.00 0.00 N ATOM 817 CZ ARG A 765 7.703 9.966 -18.256 1.00 0.00 C ATOM 818 NH1 ARG A 765 8.980 9.977 -17.899 1.00 0.00 N ATOM 819 NH2 ARG A 765 7.277 10.789 -19.204 1.00 0.00 N ATOM 0 H ARG A 765 7.662 4.391 -14.005 1.00 0.00 H new ATOM 0 HA ARG A 765 7.920 7.216 -14.230 1.00 0.00 H new ATOM 0 HB2 ARG A 765 7.348 5.550 -16.046 1.00 0.00 H new ATOM 0 HB3 ARG A 765 5.767 5.369 -15.311 1.00 0.00 H new ATOM 0 HG2 ARG A 765 5.577 6.929 -17.136 1.00 0.00 H new ATOM 0 HG3 ARG A 765 5.361 7.814 -15.639 1.00 0.00 H new ATOM 0 HD2 ARG A 765 7.559 8.742 -15.736 1.00 0.00 H new ATOM 0 HD3 ARG A 765 8.080 7.596 -16.955 1.00 0.00 H new ATOM 0 HE ARG A 765 5.875 9.152 -17.963 1.00 0.00 H new ATOM 0 HH11 ARG A 765 9.311 9.345 -17.170 1.00 0.00 H new ATOM 0 HH12 ARG A 765 9.631 10.617 -18.353 1.00 0.00 H new ATOM 0 HH21 ARG A 765 6.295 10.783 -19.481 1.00 0.00 H new ATOM 0 HH22 ARG A 765 7.931 11.428 -19.656 1.00 0.00 H new ATOM 833 N PHE A 766 5.503 6.017 -12.373 1.00 0.00 N ATOM 834 CA PHE A 766 4.452 6.392 -11.429 1.00 0.00 C ATOM 835 C PHE A 766 4.664 5.759 -10.060 1.00 0.00 C ATOM 836 O PHE A 766 4.063 4.735 -9.743 1.00 0.00 O ATOM 837 CB PHE A 766 3.060 6.003 -11.941 1.00 0.00 C ATOM 838 CG PHE A 766 2.783 6.368 -13.369 1.00 0.00 C ATOM 839 CD1 PHE A 766 3.433 5.706 -14.389 1.00 0.00 C ATOM 840 CD2 PHE A 766 1.859 7.348 -13.690 1.00 0.00 C ATOM 841 CE1 PHE A 766 3.175 6.009 -15.709 1.00 0.00 C ATOM 842 CE2 PHE A 766 1.597 7.663 -15.011 1.00 0.00 C ATOM 843 CZ PHE A 766 2.256 6.992 -16.023 1.00 0.00 C ATOM 0 H PHE A 766 5.734 5.023 -12.379 1.00 0.00 H new ATOM 0 HA PHE A 766 4.510 7.476 -11.334 1.00 0.00 H new ATOM 0 HB2 PHE A 766 2.936 4.926 -11.827 1.00 0.00 H new ATOM 0 HB3 PHE A 766 2.311 6.479 -11.308 1.00 0.00 H new ATOM 0 HD1 PHE A 766 4.155 4.939 -14.150 1.00 0.00 H new ATOM 0 HD2 PHE A 766 1.338 7.871 -12.902 1.00 0.00 H new ATOM 0 HE1 PHE A 766 3.690 5.479 -16.496 1.00 0.00 H new ATOM 0 HE2 PHE A 766 0.878 8.432 -15.251 1.00 0.00 H new ATOM 0 HZ PHE A 766 2.054 7.235 -17.056 1.00 0.00 H new ATOM 853 N PRO A 767 5.524 6.360 -9.229 1.00 0.00 N ATOM 854 CA PRO A 767 5.776 5.868 -7.889 1.00 0.00 C ATOM 855 C PRO A 767 4.680 6.272 -6.929 1.00 0.00 C ATOM 856 O PRO A 767 4.544 7.445 -6.581 1.00 0.00 O ATOM 857 CB PRO A 767 7.090 6.505 -7.474 1.00 0.00 C ATOM 858 CG PRO A 767 7.471 7.443 -8.564 1.00 0.00 C ATOM 859 CD PRO A 767 6.326 7.538 -9.538 1.00 0.00 C ATOM 0 HA PRO A 767 5.811 4.779 -7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 767 6.982 7.035 -6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 767 7.859 5.747 -7.329 1.00 0.00 H new ATOM 0 HG2 PRO A 767 7.701 8.426 -8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 767 8.370 7.090 -9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 767 5.758 8.458 -9.402 1.00 0.00 H new ATOM 0 HD3 PRO A 767 6.674 7.528 -10.571 1.00 0.00 H new ATOM 867 N MET A 768 3.900 5.299 -6.504 1.00 0.00 N ATOM 868 CA MET A 768 2.809 5.565 -5.587 1.00 0.00 C ATOM 869 C MET A 768 3.209 5.227 -4.166 1.00 0.00 C ATOM 870 O MET A 768 4.349 4.844 -3.900 1.00 0.00 O ATOM 871 CB MET A 768 1.561 4.770 -5.967 1.00 0.00 C ATOM 872 CG MET A 768 0.318 5.618 -6.113 1.00 0.00 C ATOM 873 SD MET A 768 0.451 6.820 -7.445 1.00 0.00 S ATOM 874 CE MET A 768 0.200 8.310 -6.503 1.00 0.00 C ATOM 0 H MET A 768 4.000 4.321 -6.777 1.00 0.00 H new ATOM 0 HA MET A 768 2.580 6.629 -5.652 1.00 0.00 H new ATOM 0 HB2 MET A 768 1.746 4.248 -6.906 1.00 0.00 H new ATOM 0 HB3 MET A 768 1.382 4.008 -5.209 1.00 0.00 H new ATOM 0 HG2 MET A 768 -0.539 4.970 -6.298 1.00 0.00 H new ATOM 0 HG3 MET A 768 0.127 6.140 -5.175 1.00 0.00 H new ATOM 0 HE1 MET A 768 0.195 9.169 -7.175 1.00 0.00 H new ATOM 0 HE2 MET A 768 -0.755 8.253 -5.980 1.00 0.00 H new ATOM 0 HE3 MET A 768 1.005 8.422 -5.777 1.00 0.00 H new ATOM 884 N ASP A 769 2.256 5.365 -3.261 1.00 0.00 N ATOM 885 CA ASP A 769 2.485 5.077 -1.859 1.00 0.00 C ATOM 886 C ASP A 769 1.188 5.228 -1.074 1.00 0.00 C ATOM 887 O ASP A 769 0.474 6.222 -1.209 1.00 0.00 O ATOM 888 CB ASP A 769 3.557 6.012 -1.290 1.00 0.00 C ATOM 889 CG ASP A 769 3.206 7.476 -1.469 1.00 0.00 C ATOM 890 OD1 ASP A 769 3.265 7.967 -2.615 1.00 0.00 O ATOM 891 OD2 ASP A 769 2.873 8.134 -0.461 1.00 0.00 O ATOM 0 H ASP A 769 1.309 5.677 -3.476 1.00 0.00 H new ATOM 0 HA ASP A 769 2.835 4.049 -1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.692 5.801 -0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 769 4.509 5.808 -1.779 1.00 0.00 H new ATOM 896 N LEU A 770 0.903 4.227 -0.256 1.00 0.00 N ATOM 897 CA LEU A 770 -0.305 4.196 0.565 1.00 0.00 C ATOM 898 C LEU A 770 -0.483 5.498 1.325 1.00 0.00 C ATOM 899 O LEU A 770 -1.602 5.883 1.654 1.00 0.00 O ATOM 900 CB LEU A 770 -0.230 3.040 1.545 1.00 0.00 C ATOM 901 CG LEU A 770 0.374 1.795 0.969 1.00 0.00 C ATOM 902 CD1 LEU A 770 0.824 0.902 2.078 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.627 1.109 0.068 1.00 0.00 C ATOM 0 H LEU A 770 1.502 3.410 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 770 -1.162 4.064 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.355 3.348 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.235 2.813 1.902 1.00 0.00 H new ATOM 0 HG LEU A 770 1.245 2.047 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 770 1.263 -0.004 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 770 1.568 1.420 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -0.030 0.637 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -0.182 0.205 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -1.514 0.845 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.907 1.781 -0.743 1.00 0.00 H new ATOM 915 N LYS A 771 0.629 6.159 1.627 1.00 0.00 N ATOM 916 CA LYS A 771 0.573 7.426 2.341 1.00 0.00 C ATOM 917 C LYS A 771 -0.281 8.426 1.573 1.00 0.00 C ATOM 918 O LYS A 771 -1.300 8.901 2.068 1.00 0.00 O ATOM 919 CB LYS A 771 1.963 8.010 2.533 1.00 0.00 C ATOM 920 CG LYS A 771 2.166 8.577 3.914 1.00 0.00 C ATOM 921 CD LYS A 771 2.736 7.527 4.841 1.00 0.00 C ATOM 922 CE LYS A 771 1.700 7.001 5.823 1.00 0.00 C ATOM 923 NZ LYS A 771 2.318 6.602 7.118 1.00 0.00 N ATOM 0 H LYS A 771 1.569 5.842 1.391 1.00 0.00 H new ATOM 0 HA LYS A 771 0.131 7.234 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.707 7.235 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.129 8.794 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 771 2.840 9.433 3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 771 1.217 8.940 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 771 3.128 6.698 4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 771 3.575 7.950 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 771 0.946 7.768 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 771 1.187 6.144 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 1.580 6.249 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 3.020 5.853 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 2.786 7.425 7.548 1.00 0.00 H new ATOM 937 N THR A 772 0.145 8.712 0.347 1.00 0.00 N ATOM 938 CA THR A 772 -0.560 9.641 -0.527 1.00 0.00 C ATOM 939 C THR A 772 -1.945 9.104 -0.849 1.00 0.00 C ATOM 940 O THR A 772 -2.875 9.861 -1.101 1.00 0.00 O ATOM 941 CB THR A 772 0.230 9.882 -1.838 1.00 0.00 C ATOM 942 OG1 THR A 772 0.495 11.280 -2.001 1.00 0.00 O ATOM 943 CG2 THR A 772 -0.518 9.362 -3.061 1.00 0.00 C ATOM 0 H THR A 772 0.985 8.308 -0.067 1.00 0.00 H new ATOM 0 HA THR A 772 -0.654 10.593 -0.005 1.00 0.00 H new ATOM 0 HB THR A 772 1.167 9.331 -1.758 1.00 0.00 H new ATOM 0 HG1 THR A 772 0.996 11.423 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 772 0.073 9.552 -3.957 1.00 0.00 H new ATOM 0 HG22 THR A 772 -0.684 8.290 -2.957 1.00 0.00 H new ATOM 0 HG23 THR A 772 -1.478 9.872 -3.144 1.00 0.00 H new ATOM 951 N MET A 773 -2.054 7.785 -0.858 1.00 0.00 N ATOM 952 CA MET A 773 -3.308 7.114 -1.128 1.00 0.00 C ATOM 953 C MET A 773 -4.341 7.456 -0.082 1.00 0.00 C ATOM 954 O MET A 773 -5.385 8.009 -0.398 1.00 0.00 O ATOM 955 CB MET A 773 -3.093 5.613 -1.157 1.00 0.00 C ATOM 956 CG MET A 773 -2.297 5.155 -2.349 1.00 0.00 C ATOM 957 SD MET A 773 -2.479 3.398 -2.641 1.00 0.00 S ATOM 958 CE MET A 773 -4.265 3.228 -2.604 1.00 0.00 C ATOM 0 H MET A 773 -1.274 7.153 -0.678 1.00 0.00 H new ATOM 0 HA MET A 773 -3.673 7.452 -2.098 1.00 0.00 H new ATOM 0 HB2 MET A 773 -2.580 5.308 -0.245 1.00 0.00 H new ATOM 0 HB3 MET A 773 -4.062 5.113 -1.160 1.00 0.00 H new ATOM 0 HG2 MET A 773 -2.619 5.705 -3.233 1.00 0.00 H new ATOM 0 HG3 MET A 773 -1.244 5.390 -2.194 1.00 0.00 H new ATOM 0 HE1 MET A 773 -4.540 2.425 -1.920 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.713 4.163 -2.266 1.00 0.00 H new ATOM 0 HE3 MET A 773 -4.629 2.993 -3.604 1.00 0.00 H new ATOM 968 N SER A 774 -4.048 7.117 1.162 1.00 0.00 N ATOM 969 CA SER A 774 -4.961 7.398 2.248 1.00 0.00 C ATOM 970 C SER A 774 -5.055 8.895 2.497 1.00 0.00 C ATOM 971 O SER A 774 -6.019 9.362 3.088 1.00 0.00 O ATOM 972 CB SER A 774 -4.552 6.654 3.503 1.00 0.00 C ATOM 973 OG SER A 774 -3.383 7.207 4.080 1.00 0.00 O ATOM 0 H SER A 774 -3.186 6.648 1.441 1.00 0.00 H new ATOM 0 HA SER A 774 -5.952 7.045 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 774 -5.366 6.686 4.227 1.00 0.00 H new ATOM 0 HB3 SER A 774 -4.379 5.605 3.264 1.00 0.00 H new ATOM 0 HG SER A 774 -2.865 7.671 3.389 1.00 0.00 H new ATOM 979 N GLU A 775 -4.045 9.642 2.049 1.00 0.00 N ATOM 980 CA GLU A 775 -4.049 11.096 2.185 1.00 0.00 C ATOM 981 C GLU A 775 -5.006 11.690 1.163 1.00 0.00 C ATOM 982 O GLU A 775 -5.758 12.616 1.468 1.00 0.00 O ATOM 983 CB GLU A 775 -2.643 11.652 1.985 1.00 0.00 C ATOM 984 CG GLU A 775 -1.753 11.492 3.205 1.00 0.00 C ATOM 985 CD GLU A 775 -1.993 12.564 4.249 1.00 0.00 C ATOM 986 OE1 GLU A 775 -2.884 12.371 5.104 1.00 0.00 O ATOM 987 OE2 GLU A 775 -1.290 13.596 4.214 1.00 0.00 O ATOM 0 H GLU A 775 -3.216 9.264 1.590 1.00 0.00 H new ATOM 0 HA GLU A 775 -4.380 11.365 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -2.178 11.149 1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -2.711 12.710 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.926 10.512 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -0.709 11.521 2.894 1.00 0.00 H new ATOM 994 N ARG A 776 -4.971 11.153 -0.057 1.00 0.00 N ATOM 995 CA ARG A 776 -5.881 11.604 -1.104 1.00 0.00 C ATOM 996 C ARG A 776 -7.258 11.174 -0.681 1.00 0.00 C ATOM 997 O ARG A 776 -8.199 11.958 -0.592 1.00 0.00 O ATOM 998 CB ARG A 776 -5.523 10.950 -2.444 1.00 0.00 C ATOM 999 CG ARG A 776 -4.288 11.540 -3.103 1.00 0.00 C ATOM 1000 CD ARG A 776 -3.608 10.549 -4.039 1.00 0.00 C ATOM 1001 NE ARG A 776 -4.423 10.202 -5.198 1.00 0.00 N ATOM 1002 CZ ARG A 776 -3.929 10.096 -6.431 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -2.653 10.380 -6.663 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -4.704 9.706 -7.433 1.00 0.00 N ATOM 0 H ARG A 776 -4.329 10.413 -0.340 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.819 12.684 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -5.365 9.883 -2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -6.369 11.050 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -4.568 12.433 -3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -3.582 11.854 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -2.663 10.971 -4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.370 9.641 -3.485 1.00 0.00 H new ATOM 0 HE ARG A 776 -5.419 10.032 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -2.050 10.680 -5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 776 -2.276 10.298 -7.607 1.00 0.00 H new ATOM 0 HH21 ARG A 776 -5.685 9.485 -7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 776 -4.319 9.627 -8.374 1.00 0.00 H new ATOM 1018 N LEU A 777 -7.325 9.893 -0.417 1.00 0.00 N ATOM 1019 CA LEU A 777 -8.509 9.237 0.069 1.00 0.00 C ATOM 1020 C LEU A 777 -9.131 10.076 1.184 1.00 0.00 C ATOM 1021 O LEU A 777 -10.337 10.313 1.220 1.00 0.00 O ATOM 1022 CB LEU A 777 -8.051 7.898 0.616 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.966 7.195 1.598 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -10.243 6.748 0.971 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.267 5.987 2.109 1.00 0.00 C ATOM 0 H LEU A 777 -6.533 9.261 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 777 -9.256 9.109 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -7.885 7.229 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -7.086 8.045 1.101 1.00 0.00 H new ATOM 0 HG LEU A 777 -9.204 7.904 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.861 6.251 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -10.777 7.613 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -10.026 6.054 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -8.911 5.467 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -8.033 5.323 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.344 6.284 2.607 1.00 0.00 H new ATOM 1037 N LYS A 778 -8.256 10.512 2.092 1.00 0.00 N ATOM 1038 CA LYS A 778 -8.626 11.342 3.230 1.00 0.00 C ATOM 1039 C LYS A 778 -9.215 12.665 2.774 1.00 0.00 C ATOM 1040 O LYS A 778 -10.152 13.179 3.380 1.00 0.00 O ATOM 1041 CB LYS A 778 -7.402 11.593 4.077 1.00 0.00 C ATOM 1042 CG LYS A 778 -7.704 12.273 5.376 1.00 0.00 C ATOM 1043 CD LYS A 778 -7.678 11.275 6.515 1.00 0.00 C ATOM 1044 CE LYS A 778 -6.256 10.860 6.859 1.00 0.00 C ATOM 1045 NZ LYS A 778 -5.492 11.965 7.500 1.00 0.00 N ATOM 0 H LYS A 778 -7.260 10.294 2.054 1.00 0.00 H new ATOM 0 HA LYS A 778 -9.384 10.818 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -6.909 10.642 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.698 12.203 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.974 13.062 5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -8.683 12.750 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -8.154 11.711 7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -8.259 10.394 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -6.281 10.001 7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -5.742 10.542 5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -4.633 11.581 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -5.226 12.666 6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -6.083 12.420 8.225 1.00 0.00 H new ATOM 1059 N ASN A 779 -8.649 13.219 1.707 1.00 0.00 N ATOM 1060 CA ASN A 779 -9.133 14.474 1.167 1.00 0.00 C ATOM 1061 C ASN A 779 -10.421 14.227 0.402 1.00 0.00 C ATOM 1062 O ASN A 779 -11.004 15.147 -0.170 1.00 0.00 O ATOM 1063 CB ASN A 779 -8.049 15.134 0.283 1.00 0.00 C ATOM 1064 CG ASN A 779 -7.966 14.610 -1.145 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -6.893 14.239 -1.607 1.00 0.00 O ATOM 1066 ND2 ASN A 779 -9.071 14.633 -1.880 1.00 0.00 N ATOM 0 H ASN A 779 -7.858 12.817 1.204 1.00 0.00 H new ATOM 0 HA ASN A 779 -9.348 15.169 1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -8.236 16.207 0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -7.079 14.994 0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -9.041 14.337 -2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -9.950 14.947 -1.469 1.00 0.00 H new ATOM 1073 N ARG A 780 -10.865 12.966 0.435 1.00 0.00 N ATOM 1074 CA ARG A 780 -12.073 12.541 -0.255 1.00 0.00 C ATOM 1075 C ARG A 780 -11.800 12.455 -1.742 1.00 0.00 C ATOM 1076 O ARG A 780 -12.651 12.759 -2.576 1.00 0.00 O ATOM 1077 CB ARG A 780 -13.248 13.469 0.052 1.00 0.00 C ATOM 1078 CG ARG A 780 -13.945 13.139 1.363 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.994 13.195 2.547 1.00 0.00 C ATOM 1080 NE ARG A 780 -12.602 14.564 2.871 1.00 0.00 N ATOM 1081 CZ ARG A 780 -12.548 15.044 4.109 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -12.872 14.273 5.139 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -12.171 16.298 4.320 1.00 0.00 N ATOM 0 H ARG A 780 -10.393 12.217 0.942 1.00 0.00 H new ATOM 0 HA ARG A 780 -12.357 11.552 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.890 14.498 0.087 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -13.971 13.410 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -14.764 13.840 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -14.385 12.144 1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -13.469 12.739 3.415 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -12.104 12.606 2.325 1.00 0.00 H new ATOM 0 HE ARG A 780 -12.355 15.188 2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -13.164 13.308 4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -12.829 14.645 6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -11.922 16.895 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -12.130 16.665 5.271 1.00 0.00 H new ATOM 1097 N TYR A 781 -10.579 12.039 -2.046 1.00 0.00 N ATOM 1098 CA TYR A 781 -10.127 11.876 -3.412 1.00 0.00 C ATOM 1099 C TYR A 781 -10.536 10.511 -3.938 1.00 0.00 C ATOM 1100 O TYR A 781 -10.714 10.334 -5.139 1.00 0.00 O ATOM 1101 CB TYR A 781 -8.615 12.040 -3.480 1.00 0.00 C ATOM 1102 CG TYR A 781 -8.108 12.106 -4.885 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -7.769 10.951 -5.549 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -7.998 13.315 -5.559 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -7.335 10.982 -6.833 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -7.552 13.358 -6.864 1.00 0.00 C ATOM 1107 CZ TYR A 781 -7.221 12.183 -7.501 1.00 0.00 C ATOM 1108 OH TYR A 781 -6.780 12.206 -8.804 1.00 0.00 O ATOM 0 H TYR A 781 -9.875 11.805 -1.346 1.00 0.00 H new ATOM 0 HA TYR A 781 -10.591 12.641 -4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -8.327 12.948 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -8.139 11.206 -2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -7.850 10.002 -5.039 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -8.265 14.233 -5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -7.077 10.061 -7.335 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -7.464 14.303 -7.380 1.00 0.00 H new ATOM 0 HH TYR A 781 -6.759 13.131 -9.126 1.00 0.00 H new ATOM 1118 N TYR A 782 -10.684 9.547 -3.032 1.00 0.00 N ATOM 1119 CA TYR A 782 -11.090 8.207 -3.418 1.00 0.00 C ATOM 1120 C TYR A 782 -12.593 8.131 -3.607 1.00 0.00 C ATOM 1121 O TYR A 782 -13.275 7.277 -3.042 1.00 0.00 O ATOM 1122 CB TYR A 782 -10.592 7.170 -2.418 1.00 0.00 C ATOM 1123 CG TYR A 782 -9.132 6.849 -2.598 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -8.417 7.508 -3.557 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -8.479 5.898 -1.835 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -7.093 7.255 -3.769 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -7.136 5.633 -2.034 1.00 0.00 C ATOM 1128 CZ TYR A 782 -6.448 6.319 -3.006 1.00 0.00 C ATOM 1129 OH TYR A 782 -5.119 6.068 -3.220 1.00 0.00 O ATOM 0 H TYR A 782 -10.529 9.672 -2.032 1.00 0.00 H new ATOM 0 HA TYR A 782 -10.627 7.976 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.757 7.538 -1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -11.177 6.257 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -8.913 8.250 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -9.024 5.356 -1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -6.555 7.792 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.632 4.893 -1.430 1.00 0.00 H new ATOM 0 HH TYR A 782 -4.705 6.843 -3.654 1.00 0.00 H new ATOM 1139 N VAL A 783 -13.086 9.053 -4.419 1.00 0.00 N ATOM 1140 CA VAL A 783 -14.494 9.149 -4.743 1.00 0.00 C ATOM 1141 C VAL A 783 -14.929 7.980 -5.610 1.00 0.00 C ATOM 1142 O VAL A 783 -16.116 7.800 -5.882 1.00 0.00 O ATOM 1143 CB VAL A 783 -14.764 10.445 -5.505 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -14.447 11.648 -4.632 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -13.946 10.471 -6.792 1.00 0.00 C ATOM 0 H VAL A 783 -12.511 9.761 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 783 -15.056 9.135 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 783 -15.821 10.491 -5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -14.644 12.564 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -15.072 11.624 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -13.397 11.620 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -14.144 11.398 -7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -12.885 10.411 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -14.224 9.622 -7.417 1.00 0.00 H new ATOM 1155 N SER A 784 -13.957 7.190 -6.039 1.00 0.00 N ATOM 1156 CA SER A 784 -14.229 6.044 -6.888 1.00 0.00 C ATOM 1157 C SER A 784 -13.496 4.822 -6.372 1.00 0.00 C ATOM 1158 O SER A 784 -12.347 4.917 -5.938 1.00 0.00 O ATOM 1159 CB SER A 784 -13.817 6.336 -8.321 1.00 0.00 C ATOM 1160 OG SER A 784 -14.814 5.917 -9.237 1.00 0.00 O ATOM 0 H SER A 784 -12.972 7.323 -5.812 1.00 0.00 H new ATOM 0 HA SER A 784 -15.300 5.845 -6.868 1.00 0.00 H new ATOM 0 HB2 SER A 784 -13.636 7.404 -8.440 1.00 0.00 H new ATOM 0 HB3 SER A 784 -12.879 5.828 -8.543 1.00 0.00 H new ATOM 0 HG SER A 784 -14.524 6.118 -10.151 1.00 0.00 H new ATOM 1166 N LYS A 785 -14.162 3.677 -6.412 1.00 0.00 N ATOM 1167 CA LYS A 785 -13.561 2.447 -5.934 1.00 0.00 C ATOM 1168 C LYS A 785 -12.208 2.228 -6.579 1.00 0.00 C ATOM 1169 O LYS A 785 -11.227 1.930 -5.904 1.00 0.00 O ATOM 1170 CB LYS A 785 -14.476 1.246 -6.199 1.00 0.00 C ATOM 1171 CG LYS A 785 -14.833 1.041 -7.663 1.00 0.00 C ATOM 1172 CD LYS A 785 -16.121 1.758 -8.030 1.00 0.00 C ATOM 1173 CE LYS A 785 -16.539 1.445 -9.458 1.00 0.00 C ATOM 1174 NZ LYS A 785 -17.902 1.960 -9.764 1.00 0.00 N ATOM 0 H LYS A 785 -15.112 3.577 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 785 -13.424 2.540 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -13.990 0.345 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -15.395 1.372 -5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -14.021 1.407 -8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -14.938 -0.025 -7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -16.914 1.461 -7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -15.986 2.834 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -15.821 1.884 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -16.515 0.367 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -18.149 1.726 -10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -18.591 1.522 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -17.919 2.992 -9.639 1.00 0.00 H new ATOM 1188 N LYS A 786 -12.143 2.416 -7.883 1.00 0.00 N ATOM 1189 CA LYS A 786 -10.901 2.197 -8.589 1.00 0.00 C ATOM 1190 C LYS A 786 -9.876 3.287 -8.310 1.00 0.00 C ATOM 1191 O LYS A 786 -8.721 2.968 -8.148 1.00 0.00 O ATOM 1192 CB LYS A 786 -11.138 2.054 -10.092 1.00 0.00 C ATOM 1193 CG LYS A 786 -11.952 0.827 -10.467 1.00 0.00 C ATOM 1194 CD LYS A 786 -12.125 0.712 -11.974 1.00 0.00 C ATOM 1195 CE LYS A 786 -12.941 -0.514 -12.351 1.00 0.00 C ATOM 1196 NZ LYS A 786 -14.297 -0.488 -11.735 1.00 0.00 N ATOM 0 H LYS A 786 -12.925 2.716 -8.466 1.00 0.00 H new ATOM 0 HA LYS A 786 -10.489 1.261 -8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -11.650 2.944 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -10.175 2.010 -10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -11.459 -0.068 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -12.931 0.879 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -12.616 1.608 -12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -11.146 0.659 -12.450 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -13.036 -0.568 -13.436 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -12.414 -1.413 -12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -15.005 -0.771 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -14.326 -1.148 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -14.508 0.474 -11.400 1.00 0.00 H new ATOM 1210 N LEU A 787 -10.254 4.566 -8.255 1.00 0.00 N ATOM 1211 CA LEU A 787 -9.241 5.584 -7.951 1.00 0.00 C ATOM 1212 C LEU A 787 -8.362 5.022 -6.871 1.00 0.00 C ATOM 1213 O LEU A 787 -7.139 4.933 -6.991 1.00 0.00 O ATOM 1214 CB LEU A 787 -9.848 6.877 -7.433 1.00 0.00 C ATOM 1215 CG LEU A 787 -9.827 8.031 -8.420 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -10.467 9.262 -7.820 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -8.403 8.312 -8.846 1.00 0.00 C ATOM 0 H LEU A 787 -11.201 4.912 -8.408 1.00 0.00 H new ATOM 0 HA LEU A 787 -8.699 5.817 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -10.881 6.686 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -9.313 7.178 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 787 -10.407 7.755 -9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -10.441 10.076 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -11.502 9.043 -7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -9.920 9.556 -6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -8.392 9.141 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -7.807 8.574 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -7.983 7.425 -9.319 1.00 0.00 H new ATOM 1229 N PHE A 788 -9.045 4.633 -5.823 1.00 0.00 N ATOM 1230 CA PHE A 788 -8.453 3.995 -4.686 1.00 0.00 C ATOM 1231 C PHE A 788 -7.475 2.911 -5.094 1.00 0.00 C ATOM 1232 O PHE A 788 -6.279 3.021 -4.844 1.00 0.00 O ATOM 1233 CB PHE A 788 -9.571 3.364 -3.876 1.00 0.00 C ATOM 1234 CG PHE A 788 -9.053 2.249 -3.052 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -8.370 2.534 -1.919 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -9.171 0.939 -3.465 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.790 1.554 -1.183 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -8.612 -0.070 -2.731 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.912 0.234 -1.591 1.00 0.00 C ATOM 0 H PHE A 788 -10.054 4.757 -5.740 1.00 0.00 H new ATOM 0 HA PHE A 788 -7.904 4.740 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -10.030 4.115 -3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -10.350 2.998 -4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -8.285 3.561 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -9.708 0.709 -4.373 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.238 1.799 -0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -8.721 -1.097 -3.046 1.00 0.00 H new ATOM 0 HZ PHE A 788 -7.456 -0.555 -1.011 1.00 0.00 H new ATOM 1249 N MET A 789 -7.986 1.864 -5.726 1.00 0.00 N ATOM 1250 CA MET A 789 -7.137 0.754 -6.088 1.00 0.00 C ATOM 1251 C MET A 789 -6.183 1.130 -7.198 1.00 0.00 C ATOM 1252 O MET A 789 -5.004 0.927 -7.072 1.00 0.00 O ATOM 1253 CB MET A 789 -7.965 -0.485 -6.381 1.00 0.00 C ATOM 1254 CG MET A 789 -8.736 -0.408 -7.635 1.00 0.00 C ATOM 1255 SD MET A 789 -10.295 -1.299 -7.560 1.00 0.00 S ATOM 1256 CE MET A 789 -10.861 -0.847 -5.929 1.00 0.00 C ATOM 0 H MET A 789 -8.966 1.766 -5.992 1.00 0.00 H new ATOM 0 HA MET A 789 -6.505 0.500 -5.237 1.00 0.00 H new ATOM 0 HB2 MET A 789 -7.303 -1.350 -6.426 1.00 0.00 H new ATOM 0 HB3 MET A 789 -8.653 -0.654 -5.553 1.00 0.00 H new ATOM 0 HG2 MET A 789 -8.933 0.638 -7.870 1.00 0.00 H new ATOM 0 HG3 MET A 789 -8.134 -0.809 -8.450 1.00 0.00 H new ATOM 0 HE1 MET A 789 -11.897 -0.512 -5.983 1.00 0.00 H new ATOM 0 HE2 MET A 789 -10.793 -1.711 -5.268 1.00 0.00 H new ATOM 0 HE3 MET A 789 -10.239 -0.041 -5.538 1.00 0.00 H new ATOM 1266 N ALA A 790 -6.666 1.702 -8.272 1.00 0.00 N ATOM 1267 CA ALA A 790 -5.761 2.159 -9.320 1.00 0.00 C ATOM 1268 C ALA A 790 -4.532 2.779 -8.679 1.00 0.00 C ATOM 1269 O ALA A 790 -3.442 2.735 -9.232 1.00 0.00 O ATOM 1270 CB ALA A 790 -6.412 3.229 -10.165 1.00 0.00 C ATOM 0 H ALA A 790 -7.657 1.864 -8.451 1.00 0.00 H new ATOM 0 HA ALA A 790 -5.502 1.301 -9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -5.717 3.554 -10.940 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -7.312 2.828 -10.630 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -6.677 4.079 -9.536 1.00 0.00 H new ATOM 1276 N ASP A 791 -4.736 3.332 -7.484 1.00 0.00 N ATOM 1277 CA ASP A 791 -3.677 3.970 -6.729 1.00 0.00 C ATOM 1278 C ASP A 791 -2.900 2.919 -5.956 1.00 0.00 C ATOM 1279 O ASP A 791 -1.671 2.943 -5.926 1.00 0.00 O ATOM 1280 CB ASP A 791 -4.254 5.009 -5.770 1.00 0.00 C ATOM 1281 CG ASP A 791 -3.491 6.318 -5.811 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -2.433 6.412 -5.158 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -3.953 7.248 -6.504 1.00 0.00 O ATOM 0 H ASP A 791 -5.643 3.346 -7.018 1.00 0.00 H new ATOM 0 HA ASP A 791 -3.006 4.478 -7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -5.298 5.192 -6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -4.236 4.612 -4.755 1.00 0.00 H new ATOM 1288 N LEU A 792 -3.619 1.997 -5.308 1.00 0.00 N ATOM 1289 CA LEU A 792 -2.955 0.937 -4.585 1.00 0.00 C ATOM 1290 C LEU A 792 -2.408 -0.056 -5.581 1.00 0.00 C ATOM 1291 O LEU A 792 -1.232 -0.413 -5.529 1.00 0.00 O ATOM 1292 CB LEU A 792 -3.843 0.267 -3.545 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.154 0.198 -2.210 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -4.041 -0.389 -1.162 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -1.887 -0.588 -2.331 1.00 0.00 C ATOM 0 H LEU A 792 -4.638 1.972 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 792 -2.138 1.375 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -4.777 0.821 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -4.102 -0.738 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 792 -2.915 1.215 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -3.508 -0.422 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -4.935 0.226 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -4.328 -1.399 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -1.393 -0.634 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -2.117 -1.598 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -1.227 -0.105 -3.051 1.00 0.00 H new ATOM 1307 N GLN A 793 -3.276 -0.524 -6.463 1.00 0.00 N ATOM 1308 CA GLN A 793 -2.851 -1.384 -7.543 1.00 0.00 C ATOM 1309 C GLN A 793 -1.558 -0.803 -8.068 1.00 0.00 C ATOM 1310 O GLN A 793 -0.566 -1.505 -8.241 1.00 0.00 O ATOM 1311 CB GLN A 793 -3.897 -1.416 -8.657 1.00 0.00 C ATOM 1312 CG GLN A 793 -5.040 -2.377 -8.396 1.00 0.00 C ATOM 1313 CD GLN A 793 -5.997 -2.475 -9.570 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -7.274 -2.691 -9.277 1.00 0.00 O flip ATOM 1315 NE2 GLN A 793 -5.594 -2.348 -10.726 1.00 0.00 N flip ATOM 0 H GLN A 793 -4.275 -0.321 -6.448 1.00 0.00 H new ATOM 0 HA GLN A 793 -2.719 -2.408 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -4.302 -0.413 -8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -3.410 -1.691 -9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -4.636 -3.366 -8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -5.588 -2.053 -7.511 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -4.604 -2.183 -10.906 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -6.250 -2.408 -11.504 1.00 0.00 H new ATOM 1324 N ARG A 794 -1.587 0.521 -8.259 1.00 0.00 N ATOM 1325 CA ARG A 794 -0.434 1.263 -8.724 1.00 0.00 C ATOM 1326 C ARG A 794 0.784 1.048 -7.811 1.00 0.00 C ATOM 1327 O ARG A 794 1.876 0.790 -8.306 1.00 0.00 O ATOM 1328 CB ARG A 794 -0.757 2.743 -8.842 1.00 0.00 C ATOM 1329 CG ARG A 794 0.470 3.560 -9.172 1.00 0.00 C ATOM 1330 CD ARG A 794 0.858 3.367 -10.622 1.00 0.00 C ATOM 1331 NE ARG A 794 2.280 3.077 -10.789 1.00 0.00 N ATOM 1332 CZ ARG A 794 2.825 2.707 -11.948 1.00 0.00 C ATOM 1333 NH1 ARG A 794 2.071 2.584 -13.032 1.00 0.00 N ATOM 1334 NH2 ARG A 794 4.125 2.457 -12.021 1.00 0.00 N ATOM 0 H ARG A 794 -2.413 1.097 -8.093 1.00 0.00 H new ATOM 0 HA ARG A 794 -0.178 0.883 -9.713 1.00 0.00 H new ATOM 0 HB2 ARG A 794 -1.511 2.890 -9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 794 -1.188 3.097 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 794 0.275 4.615 -8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 794 1.296 3.264 -8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 794 0.272 2.551 -11.045 1.00 0.00 H new ATOM 0 HD3 ARG A 794 0.606 4.266 -11.185 1.00 0.00 H new ATOM 0 HE ARG A 794 2.889 3.162 -9.975 1.00 0.00 H new ATOM 0 HH11 ARG A 794 1.070 2.773 -12.981 1.00 0.00 H new ATOM 0 HH12 ARG A 794 2.492 2.301 -13.917 1.00 0.00 H new ATOM 0 HH21 ARG A 794 4.709 2.548 -11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 794 4.541 2.174 -12.908 1.00 0.00 H new ATOM 1348 N VAL A 795 0.613 1.157 -6.481 1.00 0.00 N ATOM 1349 CA VAL A 795 1.754 0.953 -5.577 1.00 0.00 C ATOM 1350 C VAL A 795 2.434 -0.361 -5.913 1.00 0.00 C ATOM 1351 O VAL A 795 3.661 -0.443 -5.975 1.00 0.00 O ATOM 1352 CB VAL A 795 1.386 0.949 -4.058 1.00 0.00 C ATOM 1353 CG1 VAL A 795 0.258 1.898 -3.740 1.00 0.00 C ATOM 1354 CG2 VAL A 795 1.064 -0.450 -3.559 1.00 0.00 C ATOM 0 H VAL A 795 -0.271 1.377 -6.023 1.00 0.00 H new ATOM 0 HA VAL A 795 2.413 1.807 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 795 2.271 1.302 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 795 0.040 1.859 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 795 0.548 2.912 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 795 -0.630 1.610 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 795 0.813 -0.410 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 795 0.217 -0.849 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 795 1.930 -1.096 -3.703 1.00 0.00 H new ATOM 1364 N PHE A 796 1.623 -1.392 -6.131 1.00 0.00 N ATOM 1365 CA PHE A 796 2.150 -2.697 -6.469 1.00 0.00 C ATOM 1366 C PHE A 796 2.783 -2.660 -7.853 1.00 0.00 C ATOM 1367 O PHE A 796 3.786 -3.319 -8.094 1.00 0.00 O ATOM 1368 CB PHE A 796 1.066 -3.786 -6.449 1.00 0.00 C ATOM 1369 CG PHE A 796 -0.017 -3.634 -5.417 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.270 -3.491 -4.078 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -1.339 -3.671 -5.801 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.731 -3.387 -3.145 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -2.350 -3.561 -4.870 1.00 0.00 C ATOM 1374 CZ PHE A 796 -2.043 -3.420 -3.536 1.00 0.00 C ATOM 0 H PHE A 796 0.606 -1.344 -6.079 1.00 0.00 H new ATOM 0 HA PHE A 796 2.895 -2.945 -5.713 1.00 0.00 H new ATOM 0 HB2 PHE A 796 0.598 -3.820 -7.433 1.00 0.00 H new ATOM 0 HB3 PHE A 796 1.552 -4.749 -6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.301 -3.460 -3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -1.587 -3.788 -6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.483 -3.279 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -3.382 -3.585 -5.187 1.00 0.00 H new ATOM 0 HZ PHE A 796 -2.831 -3.336 -2.803 1.00 0.00 H new ATOM 1384 N THR A 797 2.204 -1.874 -8.765 1.00 0.00 N ATOM 1385 CA THR A 797 2.729 -1.804 -10.125 1.00 0.00 C ATOM 1386 C THR A 797 4.174 -1.326 -10.148 1.00 0.00 C ATOM 1387 O THR A 797 5.034 -1.983 -10.729 1.00 0.00 O ATOM 1388 CB THR A 797 1.906 -0.892 -11.050 1.00 0.00 C ATOM 1389 OG1 THR A 797 2.052 0.472 -10.660 1.00 0.00 O ATOM 1390 CG2 THR A 797 0.451 -1.278 -11.006 1.00 0.00 C ATOM 0 H THR A 797 1.387 -1.289 -8.589 1.00 0.00 H new ATOM 0 HA THR A 797 2.664 -2.826 -10.500 1.00 0.00 H new ATOM 0 HB THR A 797 2.276 -1.013 -12.068 1.00 0.00 H new ATOM 0 HG1 THR A 797 2.002 0.540 -9.684 1.00 0.00 H new ATOM 0 HG21 THR A 797 -0.119 -0.624 -11.666 1.00 0.00 H new ATOM 0 HG22 THR A 797 0.339 -2.311 -11.334 1.00 0.00 H new ATOM 0 HG23 THR A 797 0.079 -1.179 -9.986 1.00 0.00 H new ATOM 1398 N ASN A 798 4.442 -0.174 -9.526 1.00 0.00 N ATOM 1399 CA ASN A 798 5.800 0.367 -9.499 1.00 0.00 C ATOM 1400 C ASN A 798 6.729 -0.565 -8.739 1.00 0.00 C ATOM 1401 O ASN A 798 7.823 -0.885 -9.205 1.00 0.00 O ATOM 1402 CB ASN A 798 5.833 1.764 -8.876 1.00 0.00 C ATOM 1403 CG ASN A 798 4.981 1.873 -7.627 1.00 0.00 C ATOM 1404 OD1 ASN A 798 3.825 2.288 -7.686 1.00 0.00 O ATOM 1405 ND2 ASN A 798 5.551 1.501 -6.487 1.00 0.00 N ATOM 0 H ASN A 798 3.746 0.393 -9.042 1.00 0.00 H new ATOM 0 HA ASN A 798 6.143 0.449 -10.530 1.00 0.00 H new ATOM 0 HB2 ASN A 798 6.863 2.023 -8.631 1.00 0.00 H new ATOM 0 HB3 ASN A 798 5.488 2.492 -9.610 1.00 0.00 H new ATOM 0 HD21 ASN A 798 5.027 1.554 -5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 798 6.513 1.163 -6.485 1.00 0.00 H new ATOM 1412 N CYS A 799 6.291 -0.998 -7.564 1.00 0.00 N ATOM 1413 CA CYS A 799 7.085 -1.909 -6.755 1.00 0.00 C ATOM 1414 C CYS A 799 7.437 -3.140 -7.578 1.00 0.00 C ATOM 1415 O CYS A 799 8.538 -3.675 -7.485 1.00 0.00 O ATOM 1416 CB CYS A 799 6.320 -2.283 -5.485 1.00 0.00 C ATOM 1417 SG CYS A 799 6.508 -1.070 -4.160 1.00 0.00 S ATOM 0 H CYS A 799 5.396 -0.734 -7.153 1.00 0.00 H new ATOM 0 HA CYS A 799 8.012 -1.423 -6.452 1.00 0.00 H new ATOM 0 HB2 CYS A 799 5.262 -2.390 -5.724 1.00 0.00 H new ATOM 0 HB3 CYS A 799 6.667 -3.254 -5.132 1.00 0.00 H new ATOM 0 HG CYS A 799 5.575 -1.248 -3.273 1.00 0.00 H new ATOM 1423 N LYS A 800 6.487 -3.589 -8.381 1.00 0.00 N ATOM 1424 CA LYS A 800 6.706 -4.730 -9.255 1.00 0.00 C ATOM 1425 C LYS A 800 7.431 -4.307 -10.531 1.00 0.00 C ATOM 1426 O LYS A 800 8.054 -5.124 -11.209 1.00 0.00 O ATOM 1427 CB LYS A 800 5.393 -5.388 -9.616 1.00 0.00 C ATOM 1428 CG LYS A 800 4.710 -6.035 -8.436 1.00 0.00 C ATOM 1429 CD LYS A 800 3.806 -7.156 -8.892 1.00 0.00 C ATOM 1430 CE LYS A 800 2.755 -7.455 -7.855 1.00 0.00 C ATOM 1431 NZ LYS A 800 2.817 -8.865 -7.381 1.00 0.00 N ATOM 0 H LYS A 800 5.555 -3.180 -8.446 1.00 0.00 H new ATOM 0 HA LYS A 800 7.327 -5.445 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 800 4.727 -4.642 -10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 800 5.570 -6.141 -10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 800 5.458 -6.423 -7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 800 4.129 -5.290 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 800 3.327 -6.883 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 800 4.398 -8.051 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 800 2.882 -6.782 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 800 1.768 -7.257 -8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 2.365 -8.938 -6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 2.319 -9.480 -8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 3.811 -9.163 -7.308 1.00 0.00 H new ATOM 1445 N GLU A 801 7.336 -3.016 -10.845 1.00 0.00 N ATOM 1446 CA GLU A 801 7.943 -2.455 -12.050 1.00 0.00 C ATOM 1447 C GLU A 801 9.455 -2.590 -12.045 1.00 0.00 C ATOM 1448 O GLU A 801 10.050 -3.059 -13.015 1.00 0.00 O ATOM 1449 CB GLU A 801 7.587 -0.973 -12.190 1.00 0.00 C ATOM 1450 CG GLU A 801 7.947 -0.384 -13.545 1.00 0.00 C ATOM 1451 CD GLU A 801 7.261 -1.096 -14.693 1.00 0.00 C ATOM 1452 OE1 GLU A 801 6.080 -0.790 -14.961 1.00 0.00 O ATOM 1453 OE2 GLU A 801 7.904 -1.961 -15.325 1.00 0.00 O ATOM 0 H GLU A 801 6.839 -2.333 -10.274 1.00 0.00 H new ATOM 0 HA GLU A 801 7.545 -3.021 -12.892 1.00 0.00 H new ATOM 0 HB2 GLU A 801 6.517 -0.848 -12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 801 8.100 -0.410 -11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 801 7.674 0.671 -13.562 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.027 -0.436 -13.684 1.00 0.00 H new ATOM 1460 N TYR A 802 10.071 -2.180 -10.948 1.00 0.00 N ATOM 1461 CA TYR A 802 11.517 -2.211 -10.837 1.00 0.00 C ATOM 1462 C TYR A 802 11.976 -3.153 -9.737 1.00 0.00 C ATOM 1463 O TYR A 802 12.708 -4.110 -9.994 1.00 0.00 O ATOM 1464 CB TYR A 802 12.007 -0.792 -10.591 1.00 0.00 C ATOM 1465 CG TYR A 802 13.388 -0.690 -10.020 1.00 0.00 C ATOM 1466 CD1 TYR A 802 14.359 -1.667 -10.216 1.00 0.00 C ATOM 1467 CD2 TYR A 802 13.684 0.378 -9.231 1.00 0.00 C ATOM 1468 CE1 TYR A 802 15.597 -1.556 -9.634 1.00 0.00 C ATOM 1469 CE2 TYR A 802 14.913 0.506 -8.627 1.00 0.00 C ATOM 1470 CZ TYR A 802 15.873 -0.471 -8.836 1.00 0.00 C ATOM 1471 OH TYR A 802 17.102 -0.374 -8.244 1.00 0.00 O ATOM 0 H TYR A 802 9.590 -1.822 -10.123 1.00 0.00 H new ATOM 0 HA TYR A 802 11.944 -2.594 -11.764 1.00 0.00 H new ATOM 0 HB2 TYR A 802 11.978 -0.245 -11.533 1.00 0.00 H new ATOM 0 HB3 TYR A 802 11.312 -0.296 -9.913 1.00 0.00 H new ATOM 0 HD1 TYR A 802 14.136 -2.524 -10.834 1.00 0.00 H new ATOM 0 HD2 TYR A 802 12.937 1.142 -9.075 1.00 0.00 H new ATOM 0 HE1 TYR A 802 16.348 -2.314 -9.801 1.00 0.00 H new ATOM 0 HE2 TYR A 802 15.127 1.357 -7.998 1.00 0.00 H new ATOM 0 HH TYR A 802 17.145 0.448 -7.712 1.00 0.00 H new ATOM 1481 N ASN A 803 11.542 -2.878 -8.520 1.00 0.00 N ATOM 1482 CA ASN A 803 11.911 -3.693 -7.376 1.00 0.00 C ATOM 1483 C ASN A 803 11.770 -5.183 -7.709 1.00 0.00 C ATOM 1484 O ASN A 803 10.677 -5.648 -8.035 1.00 0.00 O ATOM 1485 CB ASN A 803 11.021 -3.328 -6.199 1.00 0.00 C ATOM 1486 CG ASN A 803 11.754 -2.518 -5.150 1.00 0.00 C ATOM 1487 OD1 ASN A 803 12.969 -2.632 -4.996 1.00 0.00 O ATOM 1488 ND2 ASN A 803 11.013 -1.695 -4.421 1.00 0.00 N ATOM 0 H ASN A 803 10.931 -2.092 -8.298 1.00 0.00 H new ATOM 0 HA ASN A 803 12.953 -3.502 -7.118 1.00 0.00 H new ATOM 0 HB2 ASN A 803 10.163 -2.760 -6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 803 10.633 -4.239 -5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 803 11.448 -1.123 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 803 10.008 -1.634 -4.584 1.00 0.00 H new ATOM 1495 N PRO A 804 12.876 -5.950 -7.638 1.00 0.00 N ATOM 1496 CA PRO A 804 12.870 -7.389 -7.950 1.00 0.00 C ATOM 1497 C PRO A 804 11.819 -8.164 -7.157 1.00 0.00 C ATOM 1498 O PRO A 804 11.424 -7.748 -6.071 1.00 0.00 O ATOM 1499 CB PRO A 804 14.275 -7.833 -7.533 1.00 0.00 C ATOM 1500 CG PRO A 804 15.107 -6.613 -7.674 1.00 0.00 C ATOM 1501 CD PRO A 804 14.220 -5.490 -7.236 1.00 0.00 C ATOM 0 HA PRO A 804 12.626 -7.577 -8.996 1.00 0.00 H new ATOM 0 HB2 PRO A 804 14.286 -8.205 -6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 804 14.642 -8.639 -8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 804 16.003 -6.672 -7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 804 15.438 -6.477 -8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 804 14.284 -5.321 -6.161 1.00 0.00 H new ATOM 0 HD3 PRO A 804 14.487 -4.552 -7.722 1.00 0.00 H new ATOM 1509 N PRO A 805 11.352 -9.314 -7.689 1.00 0.00 N ATOM 1510 CA PRO A 805 10.354 -10.144 -7.010 1.00 0.00 C ATOM 1511 C PRO A 805 10.966 -10.930 -5.859 1.00 0.00 C ATOM 1512 O PRO A 805 10.381 -11.889 -5.357 1.00 0.00 O ATOM 1513 CB PRO A 805 9.875 -11.081 -8.106 1.00 0.00 C ATOM 1514 CG PRO A 805 11.049 -11.225 -9.011 1.00 0.00 C ATOM 1515 CD PRO A 805 11.755 -9.894 -8.985 1.00 0.00 C ATOM 0 HA PRO A 805 9.554 -9.554 -6.563 1.00 0.00 H new ATOM 0 HB2 PRO A 805 9.567 -12.044 -7.699 1.00 0.00 H new ATOM 0 HB3 PRO A 805 9.015 -10.668 -8.634 1.00 0.00 H new ATOM 0 HG2 PRO A 805 11.708 -12.024 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 805 10.734 -11.480 -10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 805 12.836 -10.012 -9.053 1.00 0.00 H new ATOM 0 HD3 PRO A 805 11.451 -9.262 -9.819 1.00 0.00 H new ATOM 1523 N GLU A 806 12.169 -10.527 -5.483 1.00 0.00 N ATOM 1524 CA GLU A 806 12.900 -11.138 -4.390 1.00 0.00 C ATOM 1525 C GLU A 806 13.324 -10.093 -3.372 1.00 0.00 C ATOM 1526 O GLU A 806 13.671 -10.422 -2.238 1.00 0.00 O ATOM 1527 CB GLU A 806 14.143 -11.817 -4.930 1.00 0.00 C ATOM 1528 CG GLU A 806 14.941 -10.957 -5.891 1.00 0.00 C ATOM 1529 CD GLU A 806 16.284 -11.566 -6.243 1.00 0.00 C ATOM 1530 OE1 GLU A 806 17.243 -11.382 -5.463 1.00 0.00 O ATOM 1531 OE2 GLU A 806 16.377 -12.227 -7.298 1.00 0.00 O ATOM 0 H GLU A 806 12.668 -9.760 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 806 12.247 -11.864 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 806 14.783 -12.101 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 806 13.852 -12.737 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 806 14.364 -10.808 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 806 15.097 -9.973 -5.448 1.00 0.00 H new ATOM 1538 N SER A 807 13.292 -8.832 -3.785 1.00 0.00 N ATOM 1539 CA SER A 807 13.709 -7.743 -2.918 1.00 0.00 C ATOM 1540 C SER A 807 12.730 -7.506 -1.773 1.00 0.00 C ATOM 1541 O SER A 807 12.829 -6.494 -1.077 1.00 0.00 O ATOM 1542 CB SER A 807 13.869 -6.447 -3.716 1.00 0.00 C ATOM 1543 OG SER A 807 12.890 -6.350 -4.730 1.00 0.00 O ATOM 0 H SER A 807 12.982 -8.541 -4.712 1.00 0.00 H new ATOM 0 HA SER A 807 14.668 -8.037 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 807 13.789 -5.591 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 807 14.863 -6.411 -4.161 1.00 0.00 H new ATOM 0 HG SER A 807 12.166 -6.984 -4.547 1.00 0.00 H new ATOM 1549 N GLU A 808 11.784 -8.425 -1.591 1.00 0.00 N ATOM 1550 CA GLU A 808 10.783 -8.306 -0.531 1.00 0.00 C ATOM 1551 C GLU A 808 9.780 -7.197 -0.845 1.00 0.00 C ATOM 1552 O GLU A 808 8.651 -7.222 -0.364 1.00 0.00 O ATOM 1553 CB GLU A 808 11.455 -8.052 0.825 1.00 0.00 C ATOM 1554 CG GLU A 808 10.473 -7.824 1.964 1.00 0.00 C ATOM 1555 CD GLU A 808 9.590 -9.028 2.222 1.00 0.00 C ATOM 1556 OE1 GLU A 808 8.603 -9.212 1.479 1.00 0.00 O ATOM 1557 OE2 GLU A 808 9.885 -9.789 3.167 1.00 0.00 O ATOM 0 H GLU A 808 11.689 -9.263 -2.165 1.00 0.00 H new ATOM 0 HA GLU A 808 10.240 -9.250 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 808 12.090 -8.903 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 808 12.106 -7.182 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 808 11.025 -7.582 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 808 9.847 -6.962 1.732 1.00 0.00 H new ATOM 1564 N TYR A 809 10.190 -6.234 -1.667 1.00 0.00 N ATOM 1565 CA TYR A 809 9.322 -5.125 -2.043 1.00 0.00 C ATOM 1566 C TYR A 809 8.234 -5.618 -2.976 1.00 0.00 C ATOM 1567 O TYR A 809 7.039 -5.577 -2.658 1.00 0.00 O ATOM 1568 CB TYR A 809 10.135 -4.036 -2.737 1.00 0.00 C ATOM 1569 CG TYR A 809 11.156 -3.388 -1.839 1.00 0.00 C ATOM 1570 CD1 TYR A 809 10.756 -2.678 -0.725 1.00 0.00 C ATOM 1571 CD2 TYR A 809 12.516 -3.481 -2.106 1.00 0.00 C ATOM 1572 CE1 TYR A 809 11.672 -2.075 0.103 1.00 0.00 C ATOM 1573 CE2 TYR A 809 13.447 -2.880 -1.280 1.00 0.00 C ATOM 1574 CZ TYR A 809 13.019 -2.177 -0.175 1.00 0.00 C ATOM 1575 OH TYR A 809 13.937 -1.575 0.654 1.00 0.00 O ATOM 0 H TYR A 809 11.120 -6.201 -2.085 1.00 0.00 H new ATOM 0 HA TYR A 809 8.867 -4.712 -1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 809 10.642 -4.466 -3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 809 9.456 -3.271 -3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 809 9.703 -2.595 -0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 809 12.851 -4.032 -2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 809 11.338 -1.523 0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 809 14.501 -2.961 -1.499 1.00 0.00 H new ATOM 0 HH TYR A 809 14.842 -1.744 0.317 1.00 0.00 H new ATOM 1585 N TYR A 810 8.660 -6.083 -4.138 1.00 0.00 N ATOM 1586 CA TYR A 810 7.735 -6.618 -5.115 1.00 0.00 C ATOM 1587 C TYR A 810 6.862 -7.655 -4.435 1.00 0.00 C ATOM 1588 O TYR A 810 5.634 -7.581 -4.477 1.00 0.00 O ATOM 1589 CB TYR A 810 8.516 -7.238 -6.291 1.00 0.00 C ATOM 1590 CG TYR A 810 7.689 -8.058 -7.275 1.00 0.00 C ATOM 1591 CD1 TYR A 810 6.780 -9.006 -6.834 1.00 0.00 C ATOM 1592 CD2 TYR A 810 7.828 -7.886 -8.648 1.00 0.00 C ATOM 1593 CE1 TYR A 810 6.038 -9.750 -7.700 1.00 0.00 C ATOM 1594 CE2 TYR A 810 7.080 -8.638 -9.539 1.00 0.00 C ATOM 1595 CZ TYR A 810 6.185 -9.572 -9.058 1.00 0.00 C ATOM 1596 OH TYR A 810 5.436 -10.322 -9.935 1.00 0.00 O ATOM 0 H TYR A 810 9.639 -6.100 -4.425 1.00 0.00 H new ATOM 0 HA TYR A 810 7.104 -5.824 -5.514 1.00 0.00 H new ATOM 0 HB2 TYR A 810 9.008 -6.435 -6.840 1.00 0.00 H new ATOM 0 HB3 TYR A 810 9.302 -7.876 -5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 810 6.656 -9.159 -5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 810 8.529 -7.156 -9.025 1.00 0.00 H new ATOM 0 HE1 TYR A 810 5.335 -10.478 -7.323 1.00 0.00 H new ATOM 0 HE2 TYR A 810 7.196 -8.494 -10.603 1.00 0.00 H new ATOM 0 HH TYR A 810 5.661 -10.071 -10.855 1.00 0.00 H new ATOM 1606 N LYS A 811 7.511 -8.638 -3.825 1.00 0.00 N ATOM 1607 CA LYS A 811 6.799 -9.709 -3.149 1.00 0.00 C ATOM 1608 C LYS A 811 5.720 -9.132 -2.252 1.00 0.00 C ATOM 1609 O LYS A 811 4.571 -9.556 -2.301 1.00 0.00 O ATOM 1610 CB LYS A 811 7.762 -10.545 -2.308 1.00 0.00 C ATOM 1611 CG LYS A 811 9.004 -10.984 -3.056 1.00 0.00 C ATOM 1612 CD LYS A 811 9.912 -11.827 -2.177 1.00 0.00 C ATOM 1613 CE LYS A 811 9.560 -13.303 -2.262 1.00 0.00 C ATOM 1614 NZ LYS A 811 8.191 -13.580 -1.744 1.00 0.00 N ATOM 0 H LYS A 811 8.527 -8.714 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 811 6.341 -10.347 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 811 8.061 -9.967 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 811 7.238 -11.428 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 811 8.716 -11.556 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 811 9.548 -10.107 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 811 10.949 -11.682 -2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 811 9.831 -11.492 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 811 9.629 -13.633 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 811 10.287 -13.883 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 8.114 -14.584 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 8.011 -12.991 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 7.490 -13.358 -2.479 1.00 0.00 H new ATOM 1628 N CYS A 812 6.115 -8.169 -1.422 1.00 0.00 N ATOM 1629 CA CYS A 812 5.184 -7.498 -0.523 1.00 0.00 C ATOM 1630 C CYS A 812 3.906 -7.164 -1.259 1.00 0.00 C ATOM 1631 O CYS A 812 2.815 -7.280 -0.705 1.00 0.00 O ATOM 1632 CB CYS A 812 5.811 -6.237 0.044 1.00 0.00 C ATOM 1633 SG CYS A 812 6.732 -6.518 1.565 1.00 0.00 S ATOM 0 H CYS A 812 7.077 -7.836 -1.355 1.00 0.00 H new ATOM 0 HA CYS A 812 4.950 -8.168 0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 812 6.479 -5.805 -0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.027 -5.504 0.233 1.00 0.00 H new ATOM 0 HG CYS A 812 6.871 -5.393 2.202 1.00 0.00 H new ATOM 1639 N ALA A 813 4.042 -6.732 -2.506 1.00 0.00 N ATOM 1640 CA ALA A 813 2.869 -6.445 -3.310 1.00 0.00 C ATOM 1641 C ALA A 813 2.061 -7.694 -3.375 1.00 0.00 C ATOM 1642 O ALA A 813 0.961 -7.774 -2.872 1.00 0.00 O ATOM 1643 CB ALA A 813 3.221 -6.043 -4.725 1.00 0.00 C ATOM 0 H ALA A 813 4.936 -6.576 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 813 2.332 -5.614 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 813 2.307 -5.839 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.841 -5.147 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 813 3.768 -6.853 -5.208 1.00 0.00 H new ATOM 1649 N ASN A 814 2.669 -8.696 -3.959 1.00 0.00 N ATOM 1650 CA ASN A 814 2.025 -9.963 -4.115 1.00 0.00 C ATOM 1651 C ASN A 814 1.348 -10.398 -2.810 1.00 0.00 C ATOM 1652 O ASN A 814 0.221 -10.901 -2.825 1.00 0.00 O ATOM 1653 CB ASN A 814 3.045 -11.008 -4.559 1.00 0.00 C ATOM 1654 CG ASN A 814 2.437 -12.389 -4.709 1.00 0.00 C ATOM 1655 OD1 ASN A 814 1.954 -12.754 -5.782 1.00 0.00 O ATOM 1656 ND2 ASN A 814 2.459 -13.166 -3.632 1.00 0.00 N ATOM 0 H ASN A 814 3.616 -8.651 -4.335 1.00 0.00 H new ATOM 0 HA ASN A 814 1.253 -9.869 -4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 814 3.483 -10.702 -5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 814 3.857 -11.049 -3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 814 2.066 -14.106 -3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 814 2.869 -12.823 -2.764 1.00 0.00 H new ATOM 1663 N ILE A 815 2.014 -10.145 -1.676 1.00 0.00 N ATOM 1664 CA ILE A 815 1.470 -10.547 -0.379 1.00 0.00 C ATOM 1665 C ILE A 815 0.255 -9.709 0.003 1.00 0.00 C ATOM 1666 O ILE A 815 -0.860 -10.222 0.109 1.00 0.00 O ATOM 1667 CB ILE A 815 2.514 -10.439 0.743 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.610 -11.460 0.552 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.857 -10.661 2.085 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.981 -10.875 0.715 1.00 0.00 C ATOM 0 H ILE A 815 2.916 -9.671 -1.632 1.00 0.00 H new ATOM 0 HA ILE A 815 1.173 -11.590 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 815 2.949 -9.440 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 815 3.477 -12.269 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.523 -11.899 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.605 -10.582 2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.085 -9.908 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 815 1.406 -11.653 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.729 -11.654 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.129 -10.085 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 815 5.083 -10.460 1.718 1.00 0.00 H new ATOM 1682 N LEU A 816 0.473 -8.416 0.205 1.00 0.00 N ATOM 1683 CA LEU A 816 -0.605 -7.515 0.542 1.00 0.00 C ATOM 1684 C LEU A 816 -1.589 -7.446 -0.616 1.00 0.00 C ATOM 1685 O LEU A 816 -2.749 -7.755 -0.438 1.00 0.00 O ATOM 1686 CB LEU A 816 -0.019 -6.143 0.907 1.00 0.00 C ATOM 1687 CG LEU A 816 -0.971 -5.005 1.282 1.00 0.00 C ATOM 1688 CD1 LEU A 816 -0.609 -3.793 0.462 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -2.431 -5.373 1.106 1.00 0.00 C ATOM 0 H LEU A 816 1.390 -7.974 0.140 1.00 0.00 H new ATOM 0 HA LEU A 816 -1.156 -7.876 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 816 0.664 -6.289 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.580 -5.806 0.061 1.00 0.00 H new ATOM 0 HG LEU A 816 -0.853 -4.791 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 816 -1.277 -2.970 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 816 0.420 -3.504 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 816 -0.708 -4.028 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -3.056 -4.526 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -2.618 -5.631 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -2.670 -6.227 1.740 1.00 0.00 H new ATOM 1701 N GLU A 817 -1.119 -7.093 -1.805 1.00 0.00 N ATOM 1702 CA GLU A 817 -2.003 -7.013 -2.973 1.00 0.00 C ATOM 1703 C GLU A 817 -2.983 -8.186 -2.971 1.00 0.00 C ATOM 1704 O GLU A 817 -4.135 -8.033 -3.372 1.00 0.00 O ATOM 1705 CB GLU A 817 -1.205 -7.012 -4.278 1.00 0.00 C ATOM 1706 CG GLU A 817 -2.080 -6.881 -5.515 1.00 0.00 C ATOM 1707 CD GLU A 817 -1.280 -6.669 -6.786 1.00 0.00 C ATOM 1708 OE1 GLU A 817 -0.153 -7.201 -6.873 1.00 0.00 O ATOM 1709 OE2 GLU A 817 -1.779 -5.972 -7.693 1.00 0.00 O ATOM 0 H GLU A 817 -0.144 -6.859 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 817 -2.555 -6.075 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 817 -0.490 -6.190 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 817 -0.629 -7.935 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -2.688 -7.780 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -2.767 -6.045 -5.381 1.00 0.00 H new ATOM 1716 N LYS A 818 -2.522 -9.363 -2.530 1.00 0.00 N ATOM 1717 CA LYS A 818 -3.400 -10.523 -2.425 1.00 0.00 C ATOM 1718 C LYS A 818 -4.478 -10.221 -1.378 1.00 0.00 C ATOM 1719 O LYS A 818 -5.674 -10.340 -1.648 1.00 0.00 O ATOM 1720 CB LYS A 818 -2.584 -11.773 -2.066 1.00 0.00 C ATOM 1721 CG LYS A 818 -3.291 -12.751 -1.144 1.00 0.00 C ATOM 1722 CD LYS A 818 -2.645 -12.754 0.229 1.00 0.00 C ATOM 1723 CE LYS A 818 -3.628 -13.160 1.311 1.00 0.00 C ATOM 1724 NZ LYS A 818 -4.387 -14.387 0.946 1.00 0.00 N ATOM 0 H LYS A 818 -1.557 -9.531 -2.245 1.00 0.00 H new ATOM 0 HA LYS A 818 -3.886 -10.724 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -2.316 -12.292 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -1.653 -11.459 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -4.343 -12.480 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -3.254 -13.753 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 818 -1.798 -13.440 0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 818 -2.252 -11.761 0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 818 -3.090 -13.331 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -4.326 -12.343 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 -4.865 -14.763 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 -5.096 -14.154 0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 -3.731 -15.102 0.572 1.00 0.00 H new ATOM 1738 N PHE A 819 -4.036 -9.834 -0.179 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.953 -9.446 0.895 1.00 0.00 C ATOM 1740 C PHE A 819 -5.844 -8.329 0.374 1.00 0.00 C ATOM 1741 O PHE A 819 -7.068 -8.432 0.362 1.00 0.00 O ATOM 1742 CB PHE A 819 -4.146 -8.963 2.105 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.930 -8.169 3.116 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -5.074 -6.789 2.990 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -5.497 -8.798 4.212 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.765 -6.066 3.934 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -6.196 -8.073 5.155 1.00 0.00 C ATOM 1748 CZ PHE A 819 -6.327 -6.706 5.014 1.00 0.00 C ATOM 0 H PHE A 819 -3.049 -9.781 0.072 1.00 0.00 H new ATOM 0 HA PHE A 819 -5.565 -10.293 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.712 -9.830 2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -3.317 -8.352 1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.638 -6.282 2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -5.391 -9.866 4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.866 -4.996 3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -6.640 -8.574 6.002 1.00 0.00 H new ATOM 0 HZ PHE A 819 -6.872 -6.138 5.753 1.00 0.00 H new ATOM 1758 N PHE A 820 -5.186 -7.253 -0.033 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.824 -6.100 -0.632 1.00 0.00 C ATOM 1760 C PHE A 820 -6.889 -6.548 -1.607 1.00 0.00 C ATOM 1761 O PHE A 820 -7.979 -5.983 -1.649 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.741 -5.282 -1.341 1.00 0.00 C ATOM 1763 CG PHE A 820 -5.197 -4.474 -2.516 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -5.626 -3.194 -2.319 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -5.176 -4.981 -3.803 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -6.036 -2.404 -3.360 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -5.588 -4.199 -4.871 1.00 0.00 C ATOM 1768 CZ PHE A 820 -6.018 -2.905 -4.647 1.00 0.00 C ATOM 0 H PHE A 820 -4.173 -7.160 0.048 1.00 0.00 H new ATOM 0 HA PHE A 820 -6.310 -5.488 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -4.288 -4.607 -0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -3.958 -5.963 -1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -5.643 -2.793 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -4.837 -5.992 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -6.372 -1.394 -3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -5.573 -4.599 -5.874 1.00 0.00 H new ATOM 0 HZ PHE A 820 -6.338 -2.289 -5.474 1.00 0.00 H new ATOM 1778 N PHE A 821 -6.574 -7.596 -2.361 1.00 0.00 N ATOM 1779 CA PHE A 821 -7.494 -8.131 -3.344 1.00 0.00 C ATOM 1780 C PHE A 821 -8.750 -8.678 -2.691 1.00 0.00 C ATOM 1781 O PHE A 821 -9.851 -8.451 -3.177 1.00 0.00 O ATOM 1782 CB PHE A 821 -6.809 -9.185 -4.200 1.00 0.00 C ATOM 1783 CG PHE A 821 -6.597 -8.747 -5.626 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -6.420 -7.404 -5.943 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.575 -9.677 -6.653 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -6.231 -7.004 -7.234 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.382 -9.275 -7.963 1.00 0.00 C ATOM 1788 CZ PHE A 821 -6.210 -7.935 -8.254 1.00 0.00 C ATOM 0 H PHE A 821 -5.683 -8.090 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 821 -7.802 -7.314 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -5.845 -9.434 -3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -7.408 -10.096 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -6.432 -6.666 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -6.710 -10.725 -6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -6.097 -5.956 -7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.366 -10.007 -8.757 1.00 0.00 H new ATOM 0 HZ PHE A 821 -6.060 -7.617 -9.275 1.00 0.00 H new ATOM 1798 N SER A 822 -8.598 -9.375 -1.578 1.00 0.00 N ATOM 1799 CA SER A 822 -9.754 -9.916 -0.888 1.00 0.00 C ATOM 1800 C SER A 822 -10.528 -8.783 -0.238 1.00 0.00 C ATOM 1801 O SER A 822 -11.746 -8.843 -0.114 1.00 0.00 O ATOM 1802 CB SER A 822 -9.338 -10.949 0.160 1.00 0.00 C ATOM 1803 OG SER A 822 -8.474 -10.384 1.129 1.00 0.00 O ATOM 0 H SER A 822 -7.700 -9.577 -1.139 1.00 0.00 H new ATOM 0 HA SER A 822 -10.391 -10.421 -1.614 1.00 0.00 H new ATOM 0 HB2 SER A 822 -10.225 -11.349 0.651 1.00 0.00 H new ATOM 0 HB3 SER A 822 -8.840 -11.786 -0.330 1.00 0.00 H new ATOM 0 HG SER A 822 -8.211 -9.483 0.847 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.804 -7.732 0.132 1.00 0.00 N ATOM 1810 CA LYS A 823 -10.401 -6.568 0.773 1.00 0.00 C ATOM 1811 C LYS A 823 -11.355 -5.859 -0.170 1.00 0.00 C ATOM 1812 O LYS A 823 -12.507 -5.607 0.170 1.00 0.00 O ATOM 1813 CB LYS A 823 -9.309 -5.580 1.208 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.867 -5.707 2.663 1.00 0.00 C ATOM 1815 CD LYS A 823 -10.052 -5.921 3.598 1.00 0.00 C ATOM 1816 CE LYS A 823 -9.663 -5.755 5.056 1.00 0.00 C ATOM 1817 NZ LYS A 823 -9.257 -4.357 5.363 1.00 0.00 N ATOM 0 H LYS A 823 -8.795 -7.664 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.953 -6.917 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.439 -5.718 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.671 -4.565 1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -8.172 -6.541 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -8.328 -4.807 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -10.842 -5.212 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -10.460 -6.920 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -10.503 -6.037 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -8.842 -6.432 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -9.438 -4.155 6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -8.243 -4.238 5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -9.805 -3.699 4.773 1.00 0.00 H new ATOM 1831 N ILE A 824 -10.850 -5.526 -1.345 1.00 0.00 N ATOM 1832 CA ILE A 824 -11.626 -4.833 -2.361 1.00 0.00 C ATOM 1833 C ILE A 824 -12.762 -5.678 -2.895 1.00 0.00 C ATOM 1834 O ILE A 824 -13.926 -5.286 -2.831 1.00 0.00 O ATOM 1835 CB ILE A 824 -10.749 -4.448 -3.533 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -9.792 -5.599 -3.881 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -10.022 -3.175 -3.206 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -8.442 -5.180 -4.361 1.00 0.00 C ATOM 0 H ILE A 824 -9.890 -5.728 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 824 -12.037 -3.948 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 824 -11.359 -4.268 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -9.668 -6.226 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -10.257 -6.218 -4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -9.388 -2.892 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -10.745 -2.382 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -9.405 -3.326 -2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -7.843 -6.064 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -8.547 -4.580 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -7.949 -4.589 -3.589 1.00 0.00 H new ATOM 1850 N LYS A 825 -12.405 -6.834 -3.442 1.00 0.00 N ATOM 1851 CA LYS A 825 -13.384 -7.749 -3.997 1.00 0.00 C ATOM 1852 C LYS A 825 -14.542 -7.886 -3.014 1.00 0.00 C ATOM 1853 O LYS A 825 -15.702 -8.019 -3.404 1.00 0.00 O ATOM 1854 CB LYS A 825 -12.776 -9.130 -4.247 1.00 0.00 C ATOM 1855 CG LYS A 825 -11.568 -9.145 -5.170 1.00 0.00 C ATOM 1856 CD LYS A 825 -11.908 -9.677 -6.555 1.00 0.00 C ATOM 1857 CE LYS A 825 -12.601 -11.012 -6.466 1.00 0.00 C ATOM 1858 NZ LYS A 825 -12.024 -12.010 -7.409 1.00 0.00 N ATOM 0 H LYS A 825 -11.440 -7.157 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 825 -13.730 -7.350 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -12.487 -9.562 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -13.545 -9.777 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.169 -8.135 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -10.784 -9.760 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -12.549 -8.965 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -10.996 -9.775 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -12.525 -11.391 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.662 -10.884 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -12.532 -12.913 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -12.119 -11.662 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -11.018 -12.154 -7.189 1.00 0.00 H new ATOM 1872 N GLU A 826 -14.194 -7.849 -1.721 1.00 0.00 N ATOM 1873 CA GLU A 826 -15.169 -7.954 -0.647 1.00 0.00 C ATOM 1874 C GLU A 826 -15.835 -6.609 -0.417 1.00 0.00 C ATOM 1875 O GLU A 826 -17.043 -6.527 -0.193 1.00 0.00 O ATOM 1876 CB GLU A 826 -14.474 -8.425 0.631 1.00 0.00 C ATOM 1877 CG GLU A 826 -15.019 -7.792 1.896 1.00 0.00 C ATOM 1878 CD GLU A 826 -14.375 -8.344 3.152 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -13.246 -7.918 3.476 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -14.997 -9.204 3.811 1.00 0.00 O ATOM 0 H GLU A 826 -13.232 -7.746 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.934 -8.679 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.571 -9.508 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -13.409 -8.205 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -14.861 -6.714 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -16.096 -7.954 1.944 1.00 0.00 H new ATOM 1887 N ALA A 827 -15.032 -5.557 -0.480 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.528 -4.209 -0.296 1.00 0.00 C ATOM 1889 C ALA A 827 -16.197 -3.734 -1.579 1.00 0.00 C ATOM 1890 O ALA A 827 -16.437 -2.544 -1.776 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.407 -3.276 0.142 1.00 0.00 C ATOM 0 H ALA A 827 -14.029 -5.616 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.274 -4.202 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -14.803 -2.269 0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -13.988 -3.628 1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.627 -3.262 -0.619 1.00 0.00 H new ATOM 1897 N GLY A 828 -16.505 -4.705 -2.445 1.00 0.00 N ATOM 1898 CA GLY A 828 -17.146 -4.433 -3.713 1.00 0.00 C ATOM 1899 C GLY A 828 -16.412 -3.405 -4.540 1.00 0.00 C ATOM 1900 O GLY A 828 -16.952 -2.903 -5.523 1.00 0.00 O ATOM 0 H GLY A 828 -16.314 -5.693 -2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -17.222 -5.360 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -18.163 -4.086 -3.532 1.00 0.00 H new ATOM 1904 N LEU A 829 -15.168 -3.117 -4.177 1.00 0.00 N ATOM 1905 CA LEU A 829 -14.397 -2.123 -4.901 1.00 0.00 C ATOM 1906 C LEU A 829 -13.933 -2.657 -6.242 1.00 0.00 C ATOM 1907 O LEU A 829 -14.540 -2.406 -7.282 1.00 0.00 O ATOM 1908 CB LEU A 829 -13.170 -1.694 -4.119 1.00 0.00 C ATOM 1909 CG LEU A 829 -13.370 -1.381 -2.656 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -12.089 -0.849 -2.102 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -14.418 -0.337 -2.434 1.00 0.00 C ATOM 0 H LEU A 829 -14.679 -3.553 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 829 -15.058 -1.269 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -12.423 -2.484 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -12.752 -0.811 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 829 -13.685 -2.302 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -12.218 -0.618 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -11.304 -1.597 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -11.808 0.057 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -14.523 -0.148 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -14.126 0.584 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -15.369 -0.685 -2.836 1.00 0.00 H new ATOM 1923 N ILE A 830 -12.833 -3.390 -6.178 1.00 0.00 N ATOM 1924 CA ILE A 830 -12.202 -3.986 -7.334 1.00 0.00 C ATOM 1925 C ILE A 830 -13.211 -4.560 -8.328 1.00 0.00 C ATOM 1926 O ILE A 830 -14.292 -5.017 -7.950 1.00 0.00 O ATOM 1927 CB ILE A 830 -11.227 -5.077 -6.869 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -9.976 -5.073 -7.702 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -11.884 -6.420 -6.908 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -8.918 -4.139 -7.195 1.00 0.00 C ATOM 0 H ILE A 830 -12.348 -3.588 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 830 -11.663 -3.199 -7.862 1.00 0.00 H new ATOM 0 HB ILE A 830 -10.945 -4.861 -5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -9.570 -6.084 -7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -10.232 -4.797 -8.725 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -11.178 -7.180 -6.575 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -12.753 -6.419 -6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -12.201 -6.641 -7.927 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -8.045 -4.190 -7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -9.306 -3.120 -7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -8.633 -4.427 -6.183 1.00 0.00 H new ATOM 1942 N ASP A 831 -12.841 -4.523 -9.604 1.00 0.00 N ATOM 1943 CA ASP A 831 -13.686 -5.040 -10.673 1.00 0.00 C ATOM 1944 C ASP A 831 -12.823 -5.619 -11.789 1.00 0.00 C ATOM 1945 O ASP A 831 -13.195 -6.606 -12.425 1.00 0.00 O ATOM 1946 CB ASP A 831 -14.588 -3.936 -11.229 1.00 0.00 C ATOM 1947 CG ASP A 831 -15.545 -3.388 -10.188 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -16.470 -4.125 -9.786 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -15.372 -2.221 -9.777 1.00 0.00 O ATOM 0 H ASP A 831 -11.953 -4.136 -9.924 1.00 0.00 H new ATOM 0 HA ASP A 831 -14.316 -5.829 -10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -13.969 -3.124 -11.612 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -15.158 -4.327 -12.072 1.00 0.00 H new