USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=37 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 814 ASN : amide:sc= -1.09 K(o=-0.91,f=-4.9!) USER MOD Set 1.2: A 818 LYS NZ :NH3+ 172:sc= 0.185 (180deg=0) USER MOD Set 2.1: A 773 MET CE :methyl -149:sc= -16.8! (180deg=-15.6!) USER MOD Set 2.2: A 782 TYR OH : rot 13:sc= -3.97 USER MOD Set 3.1: A 742 HIS :FLIP no HE2:sc= -0.205 X(o=-4.6,f=-4.5) USER MOD Set 3.2: A 743 GLN :FLIP amide:sc= -2.29 F(o=-5.8!,f=-4.5) USER MOD Set 3.3: A 744 SER OG : rot -60:sc= -1.99 USER MOD Set 4.1: A 738 GLN :FLIP amide:sc= -0.572! C(o=-3.8!,f=-0.24!) USER MOD Set 4.2: A 741 SER OG : rot 173:sc= 0.333 USER MOD Set 5.1: A 737 GLN :FLIP amide:sc= -1.85 F(o=-2.9!,f=-2.2) USER MOD Set 5.2: A 740 LYS NZ :NH3+ 155:sc= -0.612 (180deg=-1.1) USER MOD Set 5.3: A 774 SER OG : rot -28:sc= 0.283 USER MOD Set 6.1: A 727 GLN :FLIP amide:sc= -0.612 F(o=-0.93!,f=0.61) USER MOD Set 6.2: A 731 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 729 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 733 LYS NZ :NH3+ -179:sc= -2.09! (180deg=-2.22!) USER MOD Single : A 734 SER OG : rot 180:sc= 0 USER MOD Single : A 749 MET CE :methyl -174:sc= -5.89! (180deg=-6.14!) USER MOD Single : A 768 MET CE :methyl 144:sc= -0.869 (180deg=-2.17!) 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 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 ASN :FLIP amide:sc= -3.99! C(o=-8.9!,f=-4!) 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+ -167:sc= -0.0397 (180deg=-0.312) USER MOD Single : A 786 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 789 MET CE :methyl 158:sc= -10.9! (180deg=-12.9!) USER MOD Single : A 793 GLN :FLIP amide:sc= -2.56 F(o=-5.2!,f=-2.6) USER MOD Single : A 797 THR OG1 : rot -63:sc= 0.423 USER MOD Single : A 798 ASN :FLIP amide:sc= -2.59 F(o=-6!,f=-2.6) USER MOD Single : A 799 CYS SG : rot 149:sc= -7.8! USER MOD Single : A 800 LYS NZ :NH3+ -162:sc= 0.806 (180deg=0.597) USER MOD Single : A 802 TYR OH : rot 180:sc= 0 USER MOD Single : A 803 ASN : amide:sc= -8.77! C(o=-8.8!,f=-10!) USER MOD Single : A 807 SER OG : rot 180:sc= 0 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+ 167:sc= -3.36 (180deg=-4.62!) USER MOD Single : A 812 CYS SG : rot 86:sc= -3.49! USER MOD Single : A 822 SER OG : rot 180:sc= 0 USER MOD Single : A 823 LYS NZ :NH3+ 180:sc= -0.101 (180deg=-0.101) USER MOD Single : A 825 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 724 -20.817 5.721 -4.010 1.00 0.00 N ATOM 143 CA ASP A 724 -20.786 6.793 -3.021 1.00 0.00 C ATOM 144 C ASP A 724 -19.344 7.112 -2.629 1.00 0.00 C ATOM 145 O ASP A 724 -18.529 6.208 -2.457 1.00 0.00 O ATOM 146 CB ASP A 724 -21.598 6.426 -1.785 1.00 0.00 C ATOM 147 CG ASP A 724 -23.018 6.015 -2.124 1.00 0.00 C ATOM 148 OD1 ASP A 724 -23.244 4.814 -2.381 1.00 0.00 O ATOM 149 OD2 ASP A 724 -23.905 6.895 -2.129 1.00 0.00 O ATOM 0 HA ASP A 724 -21.236 7.678 -3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 724 -21.103 5.610 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 724 -21.622 7.277 -1.104 1.00 0.00 H new ATOM 154 N PRO A 725 -19.006 8.403 -2.481 1.00 0.00 N ATOM 155 CA PRO A 725 -17.654 8.830 -2.131 1.00 0.00 C ATOM 156 C PRO A 725 -17.330 8.643 -0.654 1.00 0.00 C ATOM 157 O PRO A 725 -16.164 8.679 -0.263 1.00 0.00 O ATOM 158 CB PRO A 725 -17.636 10.327 -2.488 1.00 0.00 C ATOM 159 CG PRO A 725 -18.963 10.621 -3.113 1.00 0.00 C ATOM 160 CD PRO A 725 -19.899 9.551 -2.637 1.00 0.00 C ATOM 0 HA PRO A 725 -16.908 8.237 -2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 725 -17.480 10.938 -1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 725 -16.822 10.554 -3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 725 -19.320 11.608 -2.820 1.00 0.00 H new ATOM 0 HG3 PRO A 725 -18.890 10.618 -4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 725 -20.382 9.821 -1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 725 -20.692 9.354 -3.358 1.00 0.00 H new ATOM 168 N ASP A 726 -18.355 8.405 0.160 1.00 0.00 N ATOM 169 CA ASP A 726 -18.161 8.251 1.599 1.00 0.00 C ATOM 170 C ASP A 726 -17.976 6.791 1.957 1.00 0.00 C ATOM 171 O ASP A 726 -16.965 6.409 2.547 1.00 0.00 O ATOM 172 CB ASP A 726 -19.348 8.835 2.365 1.00 0.00 C ATOM 173 CG ASP A 726 -19.528 10.318 2.109 1.00 0.00 C ATOM 174 OD1 ASP A 726 -18.877 11.124 2.807 1.00 0.00 O ATOM 175 OD2 ASP A 726 -20.319 10.673 1.211 1.00 0.00 O ATOM 0 H ASP A 726 -19.323 8.315 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 726 -17.261 8.796 1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -20.257 8.307 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -19.205 8.668 3.433 1.00 0.00 H new ATOM 180 N GLN A 727 -18.964 5.980 1.604 1.00 0.00 N ATOM 181 CA GLN A 727 -18.899 4.557 1.864 1.00 0.00 C ATOM 182 C GLN A 727 -17.587 4.002 1.312 1.00 0.00 C ATOM 183 O GLN A 727 -16.938 3.163 1.936 1.00 0.00 O ATOM 184 CB GLN A 727 -20.114 3.870 1.271 1.00 0.00 C ATOM 185 CG GLN A 727 -19.775 2.936 0.173 1.00 0.00 C ATOM 186 CD GLN A 727 -19.406 1.547 0.661 1.00 0.00 C ATOM 187 OE1 GLN A 727 -20.045 1.107 1.739 1.00 0.00 O flip ATOM 188 NE2 GLN A 727 -18.563 0.873 0.072 1.00 0.00 N flip ATOM 0 H GLN A 727 -19.817 6.287 1.137 1.00 0.00 H new ATOM 0 HA GLN A 727 -18.914 4.365 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 727 -20.635 3.323 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 727 -20.805 4.626 0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 727 -20.624 2.861 -0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 727 -18.943 3.346 -0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 727 -18.095 1.249 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 727 -18.332 -0.062 0.408 1.00 0.00 H new ATOM 197 N LEU A 728 -17.199 4.508 0.145 1.00 0.00 N ATOM 198 CA LEU A 728 -15.955 4.107 -0.494 1.00 0.00 C ATOM 199 C LEU A 728 -14.791 4.643 0.293 1.00 0.00 C ATOM 200 O LEU A 728 -14.046 3.885 0.877 1.00 0.00 O ATOM 201 CB LEU A 728 -15.892 4.665 -1.907 1.00 0.00 C ATOM 202 CG LEU A 728 -16.157 3.657 -3.004 1.00 0.00 C ATOM 203 CD1 LEU A 728 -16.086 4.322 -4.360 1.00 0.00 C ATOM 204 CD2 LEU A 728 -15.156 2.530 -2.892 1.00 0.00 C ATOM 0 H LEU A 728 -17.734 5.201 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 728 -15.912 3.018 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 728 -16.617 5.474 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 728 -14.906 5.102 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 728 -17.161 3.248 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 728 -16.279 3.583 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 728 -16.834 5.113 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 728 -15.094 4.750 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 728 -15.341 1.800 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 728 -14.147 2.928 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 728 -15.258 2.048 -1.919 1.00 0.00 H new ATOM 216 N TYR A 729 -14.687 5.961 0.368 1.00 0.00 N ATOM 217 CA TYR A 729 -13.591 6.595 1.075 1.00 0.00 C ATOM 218 C TYR A 729 -13.183 5.808 2.313 1.00 0.00 C ATOM 219 O TYR A 729 -12.075 5.312 2.382 1.00 0.00 O ATOM 220 CB TYR A 729 -13.995 8.021 1.453 1.00 0.00 C ATOM 221 CG TYR A 729 -13.397 8.524 2.733 1.00 0.00 C ATOM 222 CD1 TYR A 729 -12.045 8.564 2.857 1.00 0.00 C ATOM 223 CD2 TYR A 729 -14.177 8.952 3.800 1.00 0.00 C ATOM 224 CE1 TYR A 729 -11.438 9.009 3.996 1.00 0.00 C ATOM 225 CE2 TYR A 729 -13.587 9.409 4.964 1.00 0.00 C ATOM 226 CZ TYR A 729 -12.210 9.435 5.059 1.00 0.00 C ATOM 227 OH TYR A 729 -11.607 9.886 6.211 1.00 0.00 O ATOM 0 H TYR A 729 -15.351 6.611 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 729 -12.724 6.620 0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -13.706 8.692 0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -15.081 8.067 1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -11.433 8.234 2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -15.254 8.928 3.720 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -10.360 9.028 4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -14.197 9.742 5.790 1.00 0.00 H new ATOM 0 HH TYR A 729 -12.294 10.148 6.859 1.00 0.00 H new ATOM 237 N SER A 730 -14.063 5.642 3.270 1.00 0.00 N ATOM 238 CA SER A 730 -13.667 4.921 4.463 1.00 0.00 C ATOM 239 C SER A 730 -13.533 3.411 4.267 1.00 0.00 C ATOM 240 O SER A 730 -12.851 2.755 5.049 1.00 0.00 O ATOM 241 CB SER A 730 -14.514 5.295 5.646 1.00 0.00 C ATOM 242 OG SER A 730 -14.630 4.225 6.568 1.00 0.00 O ATOM 0 H SER A 730 -15.025 5.981 3.255 1.00 0.00 H new ATOM 0 HA SER A 730 -12.651 5.248 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 730 -14.079 6.160 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 730 -15.506 5.590 5.304 1.00 0.00 H new ATOM 0 HG SER A 730 -15.186 4.504 7.325 1.00 0.00 H new ATOM 248 N THR A 731 -14.190 2.843 3.259 1.00 0.00 N ATOM 249 CA THR A 731 -14.000 1.437 2.959 1.00 0.00 C ATOM 250 C THR A 731 -12.564 1.276 2.537 1.00 0.00 C ATOM 251 O THR A 731 -11.817 0.445 3.041 1.00 0.00 O ATOM 252 CB THR A 731 -14.910 0.982 1.819 1.00 0.00 C ATOM 253 OG1 THR A 731 -16.207 0.642 2.321 1.00 0.00 O ATOM 254 CG2 THR A 731 -14.305 -0.203 1.104 1.00 0.00 C ATOM 0 H THR A 731 -14.847 3.329 2.649 1.00 0.00 H new ATOM 0 HA THR A 731 -14.243 0.834 3.834 1.00 0.00 H new ATOM 0 HB THR A 731 -15.012 1.804 1.111 1.00 0.00 H new ATOM 0 HG1 THR A 731 -16.744 1.456 2.417 1.00 0.00 H new ATOM 0 HG21 THR A 731 -14.965 -0.515 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 731 -13.335 0.076 0.694 1.00 0.00 H new ATOM 0 HG23 THR A 731 -14.178 -1.026 1.807 1.00 0.00 H new ATOM 262 N LEU A 732 -12.217 2.134 1.607 1.00 0.00 N ATOM 263 CA LEU A 732 -10.904 2.226 1.039 1.00 0.00 C ATOM 264 C LEU A 732 -9.927 2.728 2.091 1.00 0.00 C ATOM 265 O LEU A 732 -8.741 2.417 2.055 1.00 0.00 O ATOM 266 CB LEU A 732 -10.971 3.213 -0.119 1.00 0.00 C ATOM 267 CG LEU A 732 -12.197 3.093 -1.028 1.00 0.00 C ATOM 268 CD1 LEU A 732 -12.438 4.409 -1.703 1.00 0.00 C ATOM 269 CD2 LEU A 732 -11.976 2.038 -2.048 1.00 0.00 C ATOM 0 H LEU A 732 -12.871 2.811 1.214 1.00 0.00 H new ATOM 0 HA LEU A 732 -10.565 1.251 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 732 -10.942 4.224 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 732 -10.076 3.089 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 732 -13.066 2.822 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 732 -13.310 4.331 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 732 -12.614 5.177 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 732 -11.565 4.678 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 732 -12.854 1.962 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 732 -11.106 2.294 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 732 -11.805 1.083 -1.552 1.00 0.00 H new ATOM 281 N LYS A 733 -10.449 3.522 3.023 1.00 0.00 N ATOM 282 CA LYS A 733 -9.648 4.078 4.104 1.00 0.00 C ATOM 283 C LYS A 733 -9.289 2.989 5.094 1.00 0.00 C ATOM 284 O LYS A 733 -8.163 2.922 5.582 1.00 0.00 O ATOM 285 CB LYS A 733 -10.391 5.211 4.797 1.00 0.00 C ATOM 286 CG LYS A 733 -9.651 5.788 5.973 1.00 0.00 C ATOM 287 CD LYS A 733 -8.543 6.733 5.539 1.00 0.00 C ATOM 288 CE LYS A 733 -8.634 8.065 6.262 1.00 0.00 C ATOM 289 NZ LYS A 733 -7.465 8.938 5.968 1.00 0.00 N ATOM 0 H LYS A 733 -11.432 3.795 3.048 1.00 0.00 H new ATOM 0 HA LYS A 733 -8.729 4.487 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -10.582 6.004 4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -11.361 4.846 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -10.351 6.321 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -9.226 4.979 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -7.574 6.275 5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -8.603 6.897 4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -9.551 8.575 5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -8.696 7.891 7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -7.557 9.830 6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -6.590 8.455 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -7.430 9.139 4.948 1.00 0.00 H new ATOM 303 N SER A 734 -10.258 2.134 5.378 1.00 0.00 N ATOM 304 CA SER A 734 -10.049 1.022 6.283 1.00 0.00 C ATOM 305 C SER A 734 -9.228 -0.038 5.573 1.00 0.00 C ATOM 306 O SER A 734 -8.430 -0.738 6.194 1.00 0.00 O ATOM 307 CB SER A 734 -11.389 0.445 6.743 1.00 0.00 C ATOM 308 OG SER A 734 -11.207 -0.756 7.472 1.00 0.00 O ATOM 0 H SER A 734 -11.200 2.192 4.991 1.00 0.00 H new ATOM 0 HA SER A 734 -9.514 1.367 7.168 1.00 0.00 H new ATOM 0 HB2 SER A 734 -11.908 1.175 7.364 1.00 0.00 H new ATOM 0 HB3 SER A 734 -12.023 0.255 5.877 1.00 0.00 H new ATOM 0 HG SER A 734 -12.079 -1.102 7.755 1.00 0.00 H new ATOM 314 N ILE A 735 -9.431 -0.156 4.260 1.00 0.00 N ATOM 315 CA ILE A 735 -8.676 -1.109 3.476 1.00 0.00 C ATOM 316 C ILE A 735 -7.226 -0.687 3.454 1.00 0.00 C ATOM 317 O ILE A 735 -6.400 -1.322 4.090 1.00 0.00 O ATOM 318 CB ILE A 735 -9.219 -1.191 2.030 1.00 0.00 C ATOM 319 CG1 ILE A 735 -10.519 -1.999 2.025 1.00 0.00 C ATOM 320 CG2 ILE A 735 -8.187 -1.789 1.077 1.00 0.00 C ATOM 321 CD1 ILE A 735 -11.025 -2.373 0.664 1.00 0.00 C ATOM 0 H ILE A 735 -10.107 0.394 3.730 1.00 0.00 H new ATOM 0 HA ILE A 735 -8.773 -2.095 3.930 1.00 0.00 H new ATOM 0 HB ILE A 735 -9.426 -0.182 1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 735 -10.365 -2.911 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 735 -11.290 -1.423 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 735 -8.603 -1.831 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 735 -7.292 -1.168 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 735 -7.929 -2.796 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 735 -11.949 -2.943 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 735 -11.216 -1.469 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 735 -10.278 -2.980 0.152 1.00 0.00 H new ATOM 333 N LEU A 736 -6.951 0.442 2.802 1.00 0.00 N ATOM 334 CA LEU A 736 -5.601 0.984 2.716 1.00 0.00 C ATOM 335 C LEU A 736 -4.937 0.840 4.074 1.00 0.00 C ATOM 336 O LEU A 736 -3.775 0.458 4.185 1.00 0.00 O ATOM 337 CB LEU A 736 -5.696 2.466 2.354 1.00 0.00 C ATOM 338 CG LEU A 736 -5.132 2.907 1.012 1.00 0.00 C ATOM 339 CD1 LEU A 736 -5.616 4.311 0.730 1.00 0.00 C ATOM 340 CD2 LEU A 736 -3.614 2.863 1.008 1.00 0.00 C ATOM 0 H LEU A 736 -7.655 1.002 2.322 1.00 0.00 H new ATOM 0 HA LEU A 736 -5.020 0.454 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -6.748 2.751 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -5.188 3.034 3.133 1.00 0.00 H new ATOM 0 HG LEU A 736 -5.478 2.224 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -5.222 4.646 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -6.705 4.321 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -5.270 4.980 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -3.243 3.184 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -3.229 3.528 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -3.279 1.845 1.206 1.00 0.00 H new ATOM 352 N GLN A 737 -5.717 1.159 5.099 1.00 0.00 N ATOM 353 CA GLN A 737 -5.281 1.053 6.478 1.00 0.00 C ATOM 354 C GLN A 737 -4.692 -0.324 6.734 1.00 0.00 C ATOM 355 O GLN A 737 -3.536 -0.462 7.131 1.00 0.00 O ATOM 356 CB GLN A 737 -6.474 1.278 7.393 1.00 0.00 C ATOM 357 CG GLN A 737 -6.436 2.577 8.155 1.00 0.00 C ATOM 358 CD GLN A 737 -5.727 3.698 7.416 1.00 0.00 C ATOM 359 OE1 GLN A 737 -4.422 3.822 7.637 1.00 0.00 O flip ATOM 360 NE2 GLN A 737 -6.344 4.447 6.659 1.00 0.00 N flip ATOM 0 H GLN A 737 -6.673 1.499 4.993 1.00 0.00 H new ATOM 0 HA GLN A 737 -4.516 1.804 6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 737 -7.385 1.247 6.796 1.00 0.00 H new ATOM 0 HB3 GLN A 737 -6.531 0.455 8.105 1.00 0.00 H new ATOM 0 HG2 GLN A 737 -7.457 2.888 8.376 1.00 0.00 H new ATOM 0 HG3 GLN A 737 -5.939 2.413 9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 737 -7.346 4.317 6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 737 -5.854 5.198 6.173 1.00 0.00 H new ATOM 369 N GLN A 738 -5.512 -1.338 6.487 1.00 0.00 N ATOM 370 CA GLN A 738 -5.129 -2.721 6.679 1.00 0.00 C ATOM 371 C GLN A 738 -4.035 -3.174 5.729 1.00 0.00 C ATOM 372 O GLN A 738 -3.120 -3.884 6.135 1.00 0.00 O ATOM 373 CB GLN A 738 -6.358 -3.569 6.551 1.00 0.00 C ATOM 374 CG GLN A 738 -7.326 -3.231 7.646 1.00 0.00 C ATOM 375 CD GLN A 738 -6.734 -3.459 9.025 1.00 0.00 C ATOM 376 OE1 GLN A 738 -5.850 -2.554 9.438 1.00 0.00 O flip ATOM 377 NE2 GLN A 738 -7.038 -4.447 9.691 1.00 0.00 N flip ATOM 0 H GLN A 738 -6.466 -1.218 6.146 1.00 0.00 H new ATOM 0 HA GLN A 738 -4.699 -2.828 7.675 1.00 0.00 H new ATOM 0 HB2 GLN A 738 -6.823 -3.406 5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 738 -6.090 -4.624 6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 738 -7.630 -2.189 7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 738 -8.225 -3.837 7.534 1.00 0.00 H new ATOM 0 HE21 GLN A 738 -7.722 -5.113 9.332 1.00 0.00 H new ATOM 0 HE22 GLN A 738 -6.607 -4.600 10.603 1.00 0.00 H new ATOM 386 N VAL A 739 -4.139 -2.800 4.460 1.00 0.00 N ATOM 387 CA VAL A 739 -3.119 -3.151 3.496 1.00 0.00 C ATOM 388 C VAL A 739 -1.776 -2.683 4.016 1.00 0.00 C ATOM 389 O VAL A 739 -0.780 -3.387 3.904 1.00 0.00 O ATOM 390 CB VAL A 739 -3.404 -2.557 2.091 1.00 0.00 C ATOM 391 CG1 VAL A 739 -4.853 -2.177 1.913 1.00 0.00 C ATOM 392 CG2 VAL A 739 -2.516 -1.384 1.794 1.00 0.00 C ATOM 0 H VAL A 739 -4.916 -2.258 4.082 1.00 0.00 H new ATOM 0 HA VAL A 739 -3.117 -4.234 3.375 1.00 0.00 H new ATOM 0 HB VAL A 739 -3.179 -3.347 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 739 -5.001 -1.766 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 739 -5.479 -3.060 2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 739 -5.127 -1.429 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 739 -2.746 -0.996 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 739 -2.683 -0.604 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 739 -1.473 -1.699 1.828 1.00 0.00 H new ATOM 402 N LYS A 740 -1.780 -1.512 4.640 1.00 0.00 N ATOM 403 CA LYS A 740 -0.571 -0.950 5.206 1.00 0.00 C ATOM 404 C LYS A 740 -0.274 -1.693 6.489 1.00 0.00 C ATOM 405 O LYS A 740 0.878 -1.866 6.886 1.00 0.00 O ATOM 406 CB LYS A 740 -0.760 0.524 5.483 1.00 0.00 C ATOM 407 CG LYS A 740 -0.961 1.374 4.243 1.00 0.00 C ATOM 408 CD LYS A 740 -1.628 2.701 4.576 1.00 0.00 C ATOM 409 CE LYS A 740 -0.752 3.562 5.475 1.00 0.00 C ATOM 410 NZ LYS A 740 -1.464 4.787 5.936 1.00 0.00 N ATOM 0 H LYS A 740 -2.612 -0.935 4.765 1.00 0.00 H new ATOM 0 HA LYS A 740 0.260 -1.054 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -1.621 0.650 6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 740 0.110 0.894 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 740 0.002 1.559 3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -1.572 0.830 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -1.845 3.241 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -2.583 2.515 5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -0.436 2.979 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 740 0.151 3.848 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -1.047 5.115 6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -1.372 5.533 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -2.470 4.569 6.083 1.00 0.00 H new ATOM 424 N SER A 741 -1.353 -2.135 7.129 1.00 0.00 N ATOM 425 CA SER A 741 -1.256 -2.905 8.351 1.00 0.00 C ATOM 426 C SER A 741 -0.652 -4.246 7.994 1.00 0.00 C ATOM 427 O SER A 741 -0.111 -4.956 8.842 1.00 0.00 O ATOM 428 CB SER A 741 -2.629 -3.085 8.987 1.00 0.00 C ATOM 429 OG SER A 741 -3.234 -1.833 9.258 1.00 0.00 O ATOM 0 H SER A 741 -2.308 -1.968 6.813 1.00 0.00 H new ATOM 0 HA SER A 741 -0.631 -2.387 9.078 1.00 0.00 H new ATOM 0 HB2 SER A 741 -3.268 -3.665 8.321 1.00 0.00 H new ATOM 0 HB3 SER A 741 -2.533 -3.654 9.912 1.00 0.00 H new ATOM 0 HG SER A 741 -4.154 -1.974 9.565 1.00 0.00 H new ATOM 435 N HIS A 742 -0.758 -4.574 6.707 1.00 0.00 N ATOM 436 CA HIS A 742 -0.201 -5.804 6.183 1.00 0.00 C ATOM 437 C HIS A 742 1.281 -5.591 5.932 1.00 0.00 C ATOM 438 O HIS A 742 1.656 -4.755 5.120 1.00 0.00 O ATOM 439 CB HIS A 742 -0.914 -6.223 4.888 1.00 0.00 C ATOM 440 CG HIS A 742 -1.004 -7.707 4.708 1.00 0.00 C ATOM 441 ND1 HIS A 742 -1.873 -8.609 5.222 1.00 0.00 N flip ATOM 442 CD2 HIS A 742 -0.131 -8.425 3.918 1.00 0.00 C flip ATOM 443 CE1 HIS A 742 -1.515 -9.842 4.736 1.00 0.00 C flip ATOM 444 NE2 HIS A 742 -0.463 -9.705 3.952 1.00 0.00 N flip ATOM 0 H HIS A 742 -1.229 -3.996 6.011 1.00 0.00 H new ATOM 0 HA HIS A 742 -0.344 -6.607 6.907 1.00 0.00 H new ATOM 0 HB2 HIS A 742 -1.920 -5.803 4.884 1.00 0.00 H new ATOM 0 HB3 HIS A 742 -0.386 -5.793 4.037 1.00 0.00 H new ATOM 0 HD1 HIS A 742 -2.649 -8.410 5.853 1.00 0.00 H new ATOM 0 HD2 HIS A 742 0.694 -8.008 3.359 1.00 0.00 H new ATOM 0 HE1 HIS A 742 -2.014 -10.773 4.959 1.00 0.00 H new ATOM 453 N GLN A 743 2.108 -6.317 6.669 1.00 0.00 N ATOM 454 CA GLN A 743 3.562 -6.205 6.568 1.00 0.00 C ATOM 455 C GLN A 743 4.037 -5.870 5.158 1.00 0.00 C ATOM 456 O GLN A 743 4.806 -4.934 4.966 1.00 0.00 O ATOM 457 CB GLN A 743 4.200 -7.514 7.026 1.00 0.00 C ATOM 458 CG GLN A 743 5.721 -7.518 6.979 1.00 0.00 C ATOM 459 CD GLN A 743 6.273 -7.855 5.604 1.00 0.00 C ATOM 460 OE1 GLN A 743 5.542 -8.672 4.851 1.00 0.00 O flip ATOM 461 NE2 GLN A 743 7.347 -7.389 5.224 1.00 0.00 N flip ATOM 0 H GLN A 743 1.793 -7.002 7.356 1.00 0.00 H new ATOM 0 HA GLN A 743 3.869 -5.379 7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 743 3.879 -7.724 8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 743 3.826 -8.325 6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 743 6.091 -6.539 7.282 1.00 0.00 H new ATOM 0 HG3 GLN A 743 6.099 -8.240 7.703 1.00 0.00 H new ATOM 0 HE21 GLN A 743 7.877 -6.766 5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 743 7.707 -7.626 4.300 1.00 0.00 H new ATOM 470 N SER A 744 3.539 -6.620 4.187 1.00 0.00 N ATOM 471 CA SER A 744 3.936 -6.480 2.788 1.00 0.00 C ATOM 472 C SER A 744 3.835 -5.053 2.264 1.00 0.00 C ATOM 473 O SER A 744 4.520 -4.683 1.313 1.00 0.00 O ATOM 474 CB SER A 744 3.076 -7.406 1.950 1.00 0.00 C ATOM 475 OG SER A 744 2.903 -8.634 2.618 1.00 0.00 O ATOM 0 H SER A 744 2.843 -7.349 4.345 1.00 0.00 H new ATOM 0 HA SER A 744 4.990 -6.748 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 744 2.107 -6.945 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 744 3.544 -7.572 0.980 1.00 0.00 H new ATOM 0 HG SER A 744 3.777 -9.052 2.766 1.00 0.00 H new ATOM 481 N ALA A 745 2.991 -4.256 2.882 1.00 0.00 N ATOM 482 CA ALA A 745 2.812 -2.876 2.461 1.00 0.00 C ATOM 483 C ALA A 745 3.751 -1.970 3.229 1.00 0.00 C ATOM 484 O ALA A 745 3.500 -0.779 3.383 1.00 0.00 O ATOM 485 CB ALA A 745 1.362 -2.454 2.598 1.00 0.00 C ATOM 0 H ALA A 745 2.417 -4.536 3.677 1.00 0.00 H new ATOM 0 HA ALA A 745 3.066 -2.790 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 745 1.253 -1.418 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 745 0.736 -3.094 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 745 1.053 -2.546 3.639 1.00 0.00 H new ATOM 491 N TRP A 746 4.848 -2.562 3.706 1.00 0.00 N ATOM 492 CA TRP A 746 5.843 -1.832 4.475 1.00 0.00 C ATOM 493 C TRP A 746 6.546 -0.736 3.668 1.00 0.00 C ATOM 494 O TRP A 746 6.883 0.305 4.232 1.00 0.00 O ATOM 495 CB TRP A 746 6.870 -2.780 5.110 1.00 0.00 C ATOM 496 CG TRP A 746 7.668 -3.640 4.164 1.00 0.00 C ATOM 497 CD1 TRP A 746 7.299 -4.822 3.581 1.00 0.00 C ATOM 498 CD2 TRP A 746 9.002 -3.394 3.735 1.00 0.00 C ATOM 499 NE1 TRP A 746 8.332 -5.322 2.829 1.00 0.00 N ATOM 500 CE2 TRP A 746 9.390 -4.462 2.908 1.00 0.00 C ATOM 501 CE3 TRP A 746 9.902 -2.370 3.976 1.00 0.00 C ATOM 502 CZ2 TRP A 746 10.652 -4.532 2.330 1.00 0.00 C ATOM 503 CZ3 TRP A 746 11.154 -2.431 3.403 1.00 0.00 C ATOM 504 CH2 TRP A 746 11.521 -3.509 2.591 1.00 0.00 C ATOM 0 H TRP A 746 5.065 -3.549 3.569 1.00 0.00 H new ATOM 0 HA TRP A 746 5.293 -1.331 5.271 1.00 0.00 H new ATOM 0 HB2 TRP A 746 7.567 -2.183 5.698 1.00 0.00 H new ATOM 0 HB3 TRP A 746 6.345 -3.435 5.806 1.00 0.00 H new ATOM 0 HD1 TRP A 746 6.334 -5.293 3.696 1.00 0.00 H new ATOM 0 HE1 TRP A 746 8.313 -6.193 2.298 1.00 0.00 H new ATOM 0 HE3 TRP A 746 9.627 -1.535 4.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 746 10.935 -5.362 1.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 746 11.862 -1.635 3.584 1.00 0.00 H new ATOM 0 HH2 TRP A 746 12.511 -3.534 2.161 1.00 0.00 H new ATOM 515 N PRO A 747 6.794 -0.919 2.352 1.00 0.00 N ATOM 516 CA PRO A 747 7.444 0.108 1.563 1.00 0.00 C ATOM 517 C PRO A 747 6.439 1.073 0.970 1.00 0.00 C ATOM 518 O PRO A 747 6.609 2.285 1.056 1.00 0.00 O ATOM 519 CB PRO A 747 8.130 -0.669 0.452 1.00 0.00 C ATOM 520 CG PRO A 747 7.347 -1.938 0.299 1.00 0.00 C ATOM 521 CD PRO A 747 6.477 -2.099 1.527 1.00 0.00 C ATOM 0 HA PRO A 747 8.127 0.711 2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 747 8.137 -0.099 -0.477 1.00 0.00 H new ATOM 0 HB3 PRO A 747 9.169 -0.879 0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 747 6.733 -1.901 -0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 747 8.018 -2.790 0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 747 5.419 -2.129 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 747 6.701 -3.026 2.055 1.00 0.00 H new ATOM 529 N PHE A 748 5.399 0.520 0.360 1.00 0.00 N ATOM 530 CA PHE A 748 4.355 1.327 -0.246 1.00 0.00 C ATOM 531 C PHE A 748 3.902 2.392 0.724 1.00 0.00 C ATOM 532 O PHE A 748 3.970 3.577 0.431 1.00 0.00 O ATOM 533 CB PHE A 748 3.149 0.470 -0.622 1.00 0.00 C ATOM 534 CG PHE A 748 3.478 -0.887 -1.146 1.00 0.00 C ATOM 535 CD1 PHE A 748 4.571 -1.067 -1.950 1.00 0.00 C ATOM 536 CD2 PHE A 748 2.691 -1.978 -0.828 1.00 0.00 C ATOM 537 CE1 PHE A 748 4.893 -2.315 -2.435 1.00 0.00 C ATOM 538 CE2 PHE A 748 3.004 -3.232 -1.308 1.00 0.00 C ATOM 539 CZ PHE A 748 4.110 -3.396 -2.113 1.00 0.00 C ATOM 0 H PHE A 748 5.258 -0.486 0.273 1.00 0.00 H new ATOM 0 HA PHE A 748 4.766 1.783 -1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 748 2.513 0.359 0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 748 2.565 1.001 -1.373 1.00 0.00 H new ATOM 0 HD1 PHE A 748 5.189 -0.219 -2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 748 1.824 -1.847 -0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 748 5.759 -2.443 -3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 748 2.386 -4.081 -1.054 1.00 0.00 H new ATOM 0 HZ PHE A 748 4.361 -4.376 -2.491 1.00 0.00 H new ATOM 549 N MET A 749 3.447 1.950 1.886 1.00 0.00 N ATOM 550 CA MET A 749 2.969 2.856 2.912 1.00 0.00 C ATOM 551 C MET A 749 3.870 4.068 3.045 1.00 0.00 C ATOM 552 O MET A 749 3.396 5.193 3.065 1.00 0.00 O ATOM 553 CB MET A 749 2.870 2.143 4.256 1.00 0.00 C ATOM 554 CG MET A 749 4.198 1.614 4.772 1.00 0.00 C ATOM 555 SD MET A 749 4.043 0.632 6.282 1.00 0.00 S ATOM 556 CE MET A 749 2.289 0.754 6.622 1.00 0.00 C ATOM 0 H MET A 749 3.400 0.963 2.140 1.00 0.00 H new ATOM 0 HA MET A 749 1.978 3.194 2.610 1.00 0.00 H new ATOM 0 HB2 MET A 749 2.454 2.831 4.992 1.00 0.00 H new ATOM 0 HB3 MET A 749 2.170 1.312 4.165 1.00 0.00 H new ATOM 0 HG2 MET A 749 4.663 1.004 3.997 1.00 0.00 H new ATOM 0 HG3 MET A 749 4.866 2.454 4.961 1.00 0.00 H new ATOM 0 HE1 MET A 749 2.071 0.285 7.582 1.00 0.00 H new ATOM 0 HE2 MET A 749 1.997 1.804 6.656 1.00 0.00 H new ATOM 0 HE3 MET A 749 1.730 0.248 5.835 1.00 0.00 H new ATOM 790 N ILE A 764 10.548 3.940 -12.245 1.00 0.00 N ATOM 791 CA ILE A 764 9.222 4.210 -11.771 1.00 0.00 C ATOM 792 C ILE A 764 8.604 5.419 -12.459 1.00 0.00 C ATOM 793 O ILE A 764 8.742 6.552 -11.997 1.00 0.00 O ATOM 794 CB ILE A 764 9.253 4.436 -10.251 1.00 0.00 C ATOM 795 CG1 ILE A 764 9.718 3.182 -9.511 1.00 0.00 C ATOM 796 CG2 ILE A 764 7.910 4.852 -9.743 1.00 0.00 C ATOM 797 CD1 ILE A 764 9.006 1.918 -9.919 1.00 0.00 C ATOM 0 HA ILE A 764 8.603 3.345 -12.008 1.00 0.00 H new ATOM 0 HB ILE A 764 9.967 5.237 -10.059 1.00 0.00 H new ATOM 0 HG12 ILE A 764 10.787 3.052 -9.678 1.00 0.00 H new ATOM 0 HG13 ILE A 764 9.578 3.334 -8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 764 7.960 5.005 -8.665 1.00 0.00 H new ATOM 0 HG22 ILE A 764 7.609 5.781 -10.228 1.00 0.00 H new ATOM 0 HG23 ILE A 764 7.180 4.074 -9.965 1.00 0.00 H new ATOM 0 HD11 ILE A 764 9.398 1.078 -9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 764 7.938 2.023 -9.726 1.00 0.00 H new ATOM 0 HD13 ILE A 764 9.166 1.737 -10.982 1.00 0.00 H new ATOM 809 N ARG A 765 7.935 5.169 -13.572 1.00 0.00 N ATOM 810 CA ARG A 765 7.263 6.225 -14.307 1.00 0.00 C ATOM 811 C ARG A 765 5.894 6.461 -13.688 1.00 0.00 C ATOM 812 O ARG A 765 5.145 7.348 -14.099 1.00 0.00 O ATOM 813 CB ARG A 765 7.097 5.825 -15.772 1.00 0.00 C ATOM 814 CG ARG A 765 8.351 5.245 -16.413 1.00 0.00 C ATOM 815 CD ARG A 765 9.587 6.056 -16.079 1.00 0.00 C ATOM 816 NE ARG A 765 9.448 7.458 -16.467 1.00 0.00 N ATOM 817 CZ ARG A 765 10.441 8.341 -16.416 1.00 0.00 C ATOM 818 NH1 ARG A 765 11.640 7.973 -15.986 1.00 0.00 N ATOM 819 NH2 ARG A 765 10.235 9.595 -16.795 1.00 0.00 N ATOM 0 H ARG A 765 7.843 4.241 -13.986 1.00 0.00 H new ATOM 0 HA ARG A 765 7.859 7.136 -14.257 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.294 5.092 -15.847 1.00 0.00 H new ATOM 0 HB3 ARG A 765 6.784 6.700 -16.342 1.00 0.00 H new ATOM 0 HG2 ARG A 765 8.489 4.218 -16.075 1.00 0.00 H new ATOM 0 HG3 ARG A 765 8.222 5.210 -17.495 1.00 0.00 H new ATOM 0 HD2 ARG A 765 9.782 5.995 -15.008 1.00 0.00 H new ATOM 0 HD3 ARG A 765 10.451 5.624 -16.585 1.00 0.00 H new ATOM 0 HE ARG A 765 8.537 7.778 -16.796 1.00 0.00 H new ATOM 0 HH11 ARG A 765 11.803 7.010 -15.693 1.00 0.00 H new ATOM 0 HH12 ARG A 765 12.399 8.653 -15.948 1.00 0.00 H new ATOM 0 HH21 ARG A 765 9.314 9.883 -17.126 1.00 0.00 H new ATOM 0 HH22 ARG A 765 10.997 10.272 -16.755 1.00 0.00 H new ATOM 833 N PHE A 766 5.588 5.642 -12.686 1.00 0.00 N ATOM 834 CA PHE A 766 4.310 5.692 -11.996 1.00 0.00 C ATOM 835 C PHE A 766 4.491 5.347 -10.520 1.00 0.00 C ATOM 836 O PHE A 766 4.162 4.245 -10.080 1.00 0.00 O ATOM 837 CB PHE A 766 3.317 4.715 -12.651 1.00 0.00 C ATOM 838 CG PHE A 766 3.800 4.111 -13.948 1.00 0.00 C ATOM 839 CD1 PHE A 766 4.989 3.404 -13.988 1.00 0.00 C ATOM 840 CD2 PHE A 766 3.077 4.258 -15.121 1.00 0.00 C ATOM 841 CE1 PHE A 766 5.457 2.853 -15.164 1.00 0.00 C ATOM 842 CE2 PHE A 766 3.535 3.707 -16.306 1.00 0.00 C ATOM 843 CZ PHE A 766 4.728 3.005 -16.328 1.00 0.00 C ATOM 0 H PHE A 766 6.222 4.926 -12.332 1.00 0.00 H new ATOM 0 HA PHE A 766 3.911 6.704 -12.071 1.00 0.00 H new ATOM 0 HB2 PHE A 766 3.100 3.911 -11.948 1.00 0.00 H new ATOM 0 HB3 PHE A 766 2.379 5.239 -12.835 1.00 0.00 H new ATOM 0 HD1 PHE A 766 5.562 3.281 -13.081 1.00 0.00 H new ATOM 0 HD2 PHE A 766 2.147 4.808 -15.111 1.00 0.00 H new ATOM 0 HE1 PHE A 766 6.388 2.306 -15.174 1.00 0.00 H new ATOM 0 HE2 PHE A 766 2.961 3.825 -17.213 1.00 0.00 H new ATOM 0 HZ PHE A 766 5.088 2.577 -17.252 1.00 0.00 H new ATOM 853 N PRO A 767 5.025 6.297 -9.737 1.00 0.00 N ATOM 854 CA PRO A 767 5.280 6.120 -8.317 1.00 0.00 C ATOM 855 C PRO A 767 4.103 6.493 -7.426 1.00 0.00 C ATOM 856 O PRO A 767 3.515 7.565 -7.568 1.00 0.00 O ATOM 857 CB PRO A 767 6.455 7.061 -8.047 1.00 0.00 C ATOM 858 CG PRO A 767 6.628 7.881 -9.279 1.00 0.00 C ATOM 859 CD PRO A 767 5.452 7.619 -10.174 1.00 0.00 C ATOM 0 HA PRO A 767 5.472 5.072 -8.087 1.00 0.00 H new ATOM 0 HB2 PRO A 767 6.254 7.695 -7.183 1.00 0.00 H new ATOM 0 HB3 PRO A 767 7.361 6.497 -7.825 1.00 0.00 H new ATOM 0 HG2 PRO A 767 6.688 8.940 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 767 7.558 7.620 -9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 767 4.667 8.364 -10.045 1.00 0.00 H new ATOM 0 HD3 PRO A 767 5.731 7.630 -11.228 1.00 0.00 H new ATOM 867 N MET A 768 3.766 5.594 -6.507 1.00 0.00 N ATOM 868 CA MET A 768 2.687 5.829 -5.563 1.00 0.00 C ATOM 869 C MET A 768 2.976 5.096 -4.262 1.00 0.00 C ATOM 870 O MET A 768 3.713 4.110 -4.235 1.00 0.00 O ATOM 871 CB MET A 768 1.334 5.407 -6.145 1.00 0.00 C ATOM 872 CG MET A 768 0.251 5.151 -5.104 1.00 0.00 C ATOM 873 SD MET A 768 -0.257 6.652 -4.248 1.00 0.00 S ATOM 874 CE MET A 768 -0.725 7.655 -5.645 1.00 0.00 C ATOM 0 H MET A 768 4.230 4.692 -6.398 1.00 0.00 H new ATOM 0 HA MET A 768 2.629 6.898 -5.360 1.00 0.00 H new ATOM 0 HB2 MET A 768 0.988 6.183 -6.827 1.00 0.00 H new ATOM 0 HB3 MET A 768 1.473 4.502 -6.736 1.00 0.00 H new ATOM 0 HG2 MET A 768 -0.616 4.703 -5.590 1.00 0.00 H new ATOM 0 HG3 MET A 768 0.617 4.428 -4.375 1.00 0.00 H new ATOM 0 HE1 MET A 768 -1.585 8.270 -5.380 1.00 0.00 H new ATOM 0 HE2 MET A 768 0.108 8.299 -5.926 1.00 0.00 H new ATOM 0 HE3 MET A 768 -0.985 7.011 -6.485 1.00 0.00 H new ATOM 884 N ASP A 769 2.387 5.590 -3.193 1.00 0.00 N ATOM 885 CA ASP A 769 2.575 5.028 -1.874 1.00 0.00 C ATOM 886 C ASP A 769 1.266 5.094 -1.101 1.00 0.00 C ATOM 887 O ASP A 769 0.526 6.073 -1.194 1.00 0.00 O ATOM 888 CB ASP A 769 3.666 5.810 -1.141 1.00 0.00 C ATOM 889 CG ASP A 769 3.473 7.310 -1.242 1.00 0.00 C ATOM 890 OD1 ASP A 769 3.805 7.881 -2.301 1.00 0.00 O ATOM 891 OD2 ASP A 769 2.994 7.915 -0.259 1.00 0.00 O ATOM 0 H ASP A 769 1.762 6.396 -3.216 1.00 0.00 H new ATOM 0 HA ASP A 769 2.881 3.985 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 769 3.674 5.518 -0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 769 4.639 5.544 -1.554 1.00 0.00 H new ATOM 896 N LEU A 770 0.994 4.046 -0.342 1.00 0.00 N ATOM 897 CA LEU A 770 -0.229 3.949 0.442 1.00 0.00 C ATOM 898 C LEU A 770 -0.454 5.178 1.306 1.00 0.00 C ATOM 899 O LEU A 770 -1.576 5.428 1.749 1.00 0.00 O ATOM 900 CB LEU A 770 -0.177 2.686 1.280 1.00 0.00 C ATOM 901 CG LEU A 770 0.107 1.444 0.457 1.00 0.00 C ATOM 902 CD1 LEU A 770 -0.085 0.205 1.274 1.00 0.00 C ATOM 903 CD2 LEU A 770 -0.789 1.403 -0.753 1.00 0.00 C ATOM 0 H LEU A 770 1.612 3.240 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 770 -1.078 3.899 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 770 0.593 2.794 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.127 2.562 1.800 1.00 0.00 H new ATOM 0 HG LEU A 770 1.146 1.485 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 770 0.125 -0.671 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 770 0.594 0.222 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -1.114 0.160 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -0.574 0.506 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -1.831 1.388 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -0.611 2.285 -1.368 1.00 0.00 H new ATOM 915 N LYS A 771 0.604 5.945 1.559 1.00 0.00 N ATOM 916 CA LYS A 771 0.459 7.156 2.344 1.00 0.00 C ATOM 917 C LYS A 771 -0.345 8.167 1.540 1.00 0.00 C ATOM 918 O LYS A 771 -1.426 8.582 1.946 1.00 0.00 O ATOM 919 CB LYS A 771 1.814 7.745 2.703 1.00 0.00 C ATOM 920 CG LYS A 771 1.886 8.215 4.135 1.00 0.00 C ATOM 921 CD LYS A 771 2.338 7.092 5.043 1.00 0.00 C ATOM 922 CE LYS A 771 1.210 6.565 5.914 1.00 0.00 C ATOM 923 NZ LYS A 771 1.700 6.117 7.246 1.00 0.00 N ATOM 0 H LYS A 771 1.552 5.750 1.236 1.00 0.00 H new ATOM 0 HA LYS A 771 -0.057 6.914 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 771 2.587 6.996 2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 771 2.028 8.583 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 771 2.578 9.054 4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 771 0.909 8.577 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 771 2.738 6.278 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 771 3.150 7.446 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 771 0.459 7.344 6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 771 0.720 5.733 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 0.900 5.765 7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 2.398 5.356 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 2.145 6.917 7.739 1.00 0.00 H new ATOM 937 N THR A 772 0.188 8.525 0.371 1.00 0.00 N ATOM 938 CA THR A 772 -0.469 9.460 -0.535 1.00 0.00 C ATOM 939 C THR A 772 -1.839 8.928 -0.905 1.00 0.00 C ATOM 940 O THR A 772 -2.759 9.682 -1.193 1.00 0.00 O ATOM 941 CB THR A 772 0.364 9.676 -1.825 1.00 0.00 C ATOM 942 OG1 THR A 772 1.395 10.640 -1.582 1.00 0.00 O ATOM 943 CG2 THR A 772 -0.503 10.134 -3.000 1.00 0.00 C ATOM 0 H THR A 772 1.083 8.175 0.029 1.00 0.00 H new ATOM 0 HA THR A 772 -0.563 10.418 -0.024 1.00 0.00 H new ATOM 0 HB THR A 772 0.806 8.717 -2.094 1.00 0.00 H new ATOM 0 HG1 THR A 772 1.919 10.771 -2.399 1.00 0.00 H new ATOM 0 HG21 THR A 772 0.123 10.273 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.261 9.379 -3.208 1.00 0.00 H new ATOM 0 HG23 THR A 772 -0.989 11.077 -2.748 1.00 0.00 H new ATOM 951 N MET A 773 -1.955 7.612 -0.894 1.00 0.00 N ATOM 952 CA MET A 773 -3.202 6.951 -1.209 1.00 0.00 C ATOM 953 C MET A 773 -4.249 7.310 -0.185 1.00 0.00 C ATOM 954 O MET A 773 -5.332 7.769 -0.530 1.00 0.00 O ATOM 955 CB MET A 773 -3.018 5.444 -1.231 1.00 0.00 C ATOM 956 CG MET A 773 -2.220 4.947 -2.411 1.00 0.00 C ATOM 957 SD MET A 773 -2.508 3.220 -2.759 1.00 0.00 S ATOM 958 CE MET A 773 -4.287 3.134 -2.685 1.00 0.00 C ATOM 0 H MET A 773 -1.190 6.977 -0.667 1.00 0.00 H new ATOM 0 HA MET A 773 -3.525 7.283 -2.195 1.00 0.00 H new ATOM 0 HB2 MET A 773 -2.521 5.134 -0.312 1.00 0.00 H new ATOM 0 HB3 MET A 773 -3.998 4.967 -1.240 1.00 0.00 H new ATOM 0 HG2 MET A 773 -2.474 5.538 -3.291 1.00 0.00 H new ATOM 0 HG3 MET A 773 -1.159 5.102 -2.218 1.00 0.00 H new ATOM 0 HE1 MET A 773 -4.589 2.147 -2.335 1.00 0.00 H new ATOM 0 HE2 MET A 773 -4.660 3.893 -1.997 1.00 0.00 H new ATOM 0 HE3 MET A 773 -4.701 3.310 -3.678 1.00 0.00 H new ATOM 968 N SER A 774 -3.916 7.099 1.081 1.00 0.00 N ATOM 969 CA SER A 774 -4.833 7.404 2.156 1.00 0.00 C ATOM 970 C SER A 774 -4.922 8.908 2.376 1.00 0.00 C ATOM 971 O SER A 774 -5.852 9.378 3.012 1.00 0.00 O ATOM 972 CB SER A 774 -4.438 6.679 3.428 1.00 0.00 C ATOM 973 OG SER A 774 -3.282 7.246 4.018 1.00 0.00 O ATOM 0 H SER A 774 -3.019 6.719 1.382 1.00 0.00 H new ATOM 0 HA SER A 774 -5.824 7.050 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 774 -5.264 6.715 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 774 -4.254 5.628 3.205 1.00 0.00 H new ATOM 0 HG SER A 774 -2.727 7.655 3.322 1.00 0.00 H new ATOM 979 N GLU A 775 -3.937 9.652 1.862 1.00 0.00 N ATOM 980 CA GLU A 775 -3.940 11.112 1.953 1.00 0.00 C ATOM 981 C GLU A 775 -4.881 11.669 0.902 1.00 0.00 C ATOM 982 O GLU A 775 -5.614 12.624 1.155 1.00 0.00 O ATOM 983 CB GLU A 775 -2.535 11.671 1.736 1.00 0.00 C ATOM 984 CG GLU A 775 -1.572 11.332 2.855 1.00 0.00 C ATOM 985 CD GLU A 775 -0.150 11.771 2.559 1.00 0.00 C ATOM 986 OE1 GLU A 775 0.120 12.989 2.617 1.00 0.00 O ATOM 987 OE2 GLU A 775 0.692 10.895 2.269 1.00 0.00 O ATOM 0 H GLU A 775 -3.127 9.264 1.378 1.00 0.00 H new ATOM 0 HA GLU A 775 -4.274 11.406 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 775 -2.139 11.284 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 775 -2.595 12.755 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 775 -1.910 11.807 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 775 -1.587 10.256 3.028 1.00 0.00 H new ATOM 994 N ARG A 776 -4.847 11.070 -0.288 1.00 0.00 N ATOM 995 CA ARG A 776 -5.744 11.486 -1.357 1.00 0.00 C ATOM 996 C ARG A 776 -7.128 11.077 -0.915 1.00 0.00 C ATOM 997 O ARG A 776 -8.074 11.862 -0.889 1.00 0.00 O ATOM 998 CB ARG A 776 -5.377 10.788 -2.673 1.00 0.00 C ATOM 999 CG ARG A 776 -4.058 11.260 -3.280 1.00 0.00 C ATOM 1000 CD ARG A 776 -3.660 10.443 -4.502 1.00 0.00 C ATOM 1001 NE ARG A 776 -4.293 10.923 -5.727 1.00 0.00 N ATOM 1002 CZ ARG A 776 -3.706 10.868 -6.921 1.00 0.00 C ATOM 1003 NH1 ARG A 776 -2.512 10.307 -7.049 1.00 0.00 N ATOM 1004 NH2 ARG A 776 -4.310 11.370 -7.987 1.00 0.00 N ATOM 0 H ARG A 776 -4.216 10.306 -0.531 1.00 0.00 H new ATOM 0 HA ARG A 776 -5.679 12.559 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 776 -5.321 9.713 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 776 -6.177 10.953 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 776 -4.144 12.310 -3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 776 -3.271 11.194 -2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 776 -2.577 10.476 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 776 -3.932 9.400 -4.341 1.00 0.00 H new ATOM 0 HE ARG A 776 -5.231 11.320 -5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 776 -2.042 9.917 -6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 776 -2.063 10.266 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 776 -5.230 11.802 -7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 776 -3.856 11.325 -8.899 1.00 0.00 H new ATOM 1018 N LEU A 777 -7.192 9.815 -0.549 1.00 0.00 N ATOM 1019 CA LEU A 777 -8.381 9.187 -0.020 1.00 0.00 C ATOM 1020 C LEU A 777 -8.947 10.053 1.105 1.00 0.00 C ATOM 1021 O LEU A 777 -10.148 10.309 1.183 1.00 0.00 O ATOM 1022 CB LEU A 777 -7.946 7.837 0.530 1.00 0.00 C ATOM 1023 CG LEU A 777 -8.848 7.166 1.544 1.00 0.00 C ATOM 1024 CD1 LEU A 777 -10.139 6.706 0.950 1.00 0.00 C ATOM 1025 CD2 LEU A 777 -8.141 5.970 2.072 1.00 0.00 C ATOM 0 H LEU A 777 -6.396 9.181 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 777 -9.151 9.068 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 777 -7.823 7.156 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 777 -6.964 7.961 0.986 1.00 0.00 H new ATOM 0 HG LEU A 777 -9.074 7.896 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 777 -10.746 6.233 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 777 -10.676 7.561 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 777 -9.938 5.988 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 777 -8.772 5.469 2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 777 -7.923 5.285 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 777 -7.209 6.278 2.545 1.00 0.00 H new ATOM 1037 N LYS A 778 -8.034 10.494 1.970 1.00 0.00 N ATOM 1038 CA LYS A 778 -8.352 11.345 3.112 1.00 0.00 C ATOM 1039 C LYS A 778 -8.905 12.678 2.640 1.00 0.00 C ATOM 1040 O LYS A 778 -9.865 13.204 3.200 1.00 0.00 O ATOM 1041 CB LYS A 778 -7.078 11.549 3.944 1.00 0.00 C ATOM 1042 CG LYS A 778 -7.031 12.819 4.763 1.00 0.00 C ATOM 1043 CD LYS A 778 -7.988 12.749 5.938 1.00 0.00 C ATOM 1044 CE LYS A 778 -9.005 13.855 5.901 1.00 0.00 C ATOM 1045 NZ LYS A 778 -9.439 14.267 7.263 1.00 0.00 N ATOM 0 H LYS A 778 -7.042 10.267 1.895 1.00 0.00 H new ATOM 0 HA LYS A 778 -9.115 10.868 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 778 -6.965 10.699 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 778 -6.220 11.539 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 778 -6.016 12.984 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 778 -7.286 13.671 4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 778 -8.499 11.786 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -7.424 12.806 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -8.585 14.715 5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 778 -9.873 13.529 5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 778 -10.140 15.032 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 778 -9.865 13.454 7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 778 -8.616 14.604 7.802 1.00 0.00 H new ATOM 1059 N ASN A 779 -8.295 13.210 1.595 1.00 0.00 N ATOM 1060 CA ASN A 779 -8.709 14.479 1.029 1.00 0.00 C ATOM 1061 C ASN A 779 -9.990 14.306 0.221 1.00 0.00 C ATOM 1062 O ASN A 779 -10.477 15.249 -0.406 1.00 0.00 O ATOM 1063 CB ASN A 779 -7.569 15.045 0.178 1.00 0.00 C ATOM 1064 CG ASN A 779 -7.897 15.140 -1.299 1.00 0.00 C ATOM 1065 OD1 ASN A 779 -7.510 14.123 -2.053 1.00 0.00 O flip ATOM 1066 ND2 ASN A 779 -8.478 16.124 -1.757 1.00 0.00 N flip ATOM 0 H ASN A 779 -7.504 12.777 1.119 1.00 0.00 H new ATOM 0 HA ASN A 779 -8.927 15.189 1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 779 -7.310 16.037 0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 779 -6.687 14.417 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 779 -8.758 16.885 -1.138 1.00 0.00 H new ATOM 0 HD22 ASN A 779 -8.679 16.178 -2.755 1.00 0.00 H new ATOM 1073 N ARG A 780 -10.520 13.083 0.253 1.00 0.00 N ATOM 1074 CA ARG A 780 -11.758 12.740 -0.444 1.00 0.00 C ATOM 1075 C ARG A 780 -11.511 12.609 -1.935 1.00 0.00 C ATOM 1076 O ARG A 780 -12.271 13.117 -2.759 1.00 0.00 O ATOM 1077 CB ARG A 780 -12.859 13.764 -0.167 1.00 0.00 C ATOM 1078 CG ARG A 780 -13.576 13.552 1.157 1.00 0.00 C ATOM 1079 CD ARG A 780 -12.648 13.722 2.348 1.00 0.00 C ATOM 1080 NE ARG A 780 -13.080 14.811 3.220 1.00 0.00 N ATOM 1081 CZ ARG A 780 -12.311 15.847 3.544 1.00 0.00 C ATOM 1082 NH1 ARG A 780 -11.073 15.932 3.076 1.00 0.00 N ATOM 1083 NH2 ARG A 780 -12.782 16.799 4.338 1.00 0.00 N ATOM 0 H ARG A 780 -10.103 12.304 0.762 1.00 0.00 H new ATOM 0 HA ARG A 780 -12.099 11.778 -0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -12.424 14.763 -0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -13.589 13.726 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -14.401 14.259 1.238 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -14.010 12.552 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -12.613 12.793 2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -11.636 13.919 1.995 1.00 0.00 H new ATOM 0 HE ARG A 780 -14.025 14.775 3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -10.707 15.201 2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -10.487 16.728 3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -13.734 16.737 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -12.193 17.594 4.587 1.00 0.00 H new ATOM 1097 N TYR A 781 -10.434 11.916 -2.263 1.00 0.00 N ATOM 1098 CA TYR A 781 -10.055 11.686 -3.642 1.00 0.00 C ATOM 1099 C TYR A 781 -10.490 10.301 -4.090 1.00 0.00 C ATOM 1100 O TYR A 781 -10.701 10.068 -5.279 1.00 0.00 O ATOM 1101 CB TYR A 781 -8.554 11.864 -3.813 1.00 0.00 C ATOM 1102 CG TYR A 781 -8.125 11.694 -5.234 1.00 0.00 C ATOM 1103 CD1 TYR A 781 -7.773 10.452 -5.697 1.00 0.00 C ATOM 1104 CD2 TYR A 781 -8.106 12.763 -6.121 1.00 0.00 C ATOM 1105 CE1 TYR A 781 -7.414 10.257 -6.988 1.00 0.00 C ATOM 1106 CE2 TYR A 781 -7.735 12.579 -7.438 1.00 0.00 C ATOM 1107 CZ TYR A 781 -7.391 11.317 -7.870 1.00 0.00 C ATOM 1108 OH TYR A 781 -7.025 11.113 -9.180 1.00 0.00 O ATOM 0 H TYR A 781 -9.801 11.499 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 781 -10.561 12.419 -4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 781 -8.265 12.855 -3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 781 -8.030 11.141 -3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 781 -7.782 9.612 -5.018 1.00 0.00 H new ATOM 0 HD2 TYR A 781 -8.384 13.748 -5.777 1.00 0.00 H new ATOM 0 HE1 TYR A 781 -7.145 9.268 -7.328 1.00 0.00 H new ATOM 0 HE2 TYR A 781 -7.715 13.415 -8.122 1.00 0.00 H new ATOM 0 HH TYR A 781 -7.063 11.963 -9.666 1.00 0.00 H new ATOM 1118 N TYR A 782 -10.634 9.382 -3.139 1.00 0.00 N ATOM 1119 CA TYR A 782 -11.062 8.031 -3.467 1.00 0.00 C ATOM 1120 C TYR A 782 -12.572 7.958 -3.625 1.00 0.00 C ATOM 1121 O TYR A 782 -13.228 7.060 -3.095 1.00 0.00 O ATOM 1122 CB TYR A 782 -10.564 7.030 -2.431 1.00 0.00 C ATOM 1123 CG TYR A 782 -9.110 6.684 -2.617 1.00 0.00 C ATOM 1124 CD1 TYR A 782 -8.377 7.353 -3.558 1.00 0.00 C ATOM 1125 CD2 TYR A 782 -8.475 5.724 -1.854 1.00 0.00 C ATOM 1126 CE1 TYR A 782 -7.048 7.096 -3.752 1.00 0.00 C ATOM 1127 CE2 TYR A 782 -7.134 5.449 -2.041 1.00 0.00 C ATOM 1128 CZ TYR A 782 -6.427 6.144 -2.992 1.00 0.00 C ATOM 1129 OH TYR A 782 -5.096 5.893 -3.176 1.00 0.00 O ATOM 0 H TYR A 782 -10.462 9.548 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 782 -10.617 7.763 -4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 782 -10.712 7.441 -1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 782 -11.162 6.120 -2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 782 -8.861 8.105 -4.164 1.00 0.00 H new ATOM 0 HD2 TYR A 782 -9.032 5.183 -1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 782 -6.493 7.641 -4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 782 -6.645 4.693 -1.444 1.00 0.00 H new ATOM 0 HH TYR A 782 -4.702 6.604 -3.724 1.00 0.00 H new ATOM 1139 N VAL A 783 -13.114 8.921 -4.364 1.00 0.00 N ATOM 1140 CA VAL A 783 -14.541 8.984 -4.624 1.00 0.00 C ATOM 1141 C VAL A 783 -14.963 7.866 -5.564 1.00 0.00 C ATOM 1142 O VAL A 783 -16.143 7.718 -5.886 1.00 0.00 O ATOM 1143 CB VAL A 783 -14.931 10.334 -5.243 1.00 0.00 C ATOM 1144 CG1 VAL A 783 -14.560 11.474 -4.304 1.00 0.00 C ATOM 1145 CG2 VAL A 783 -14.264 10.515 -6.602 1.00 0.00 C ATOM 0 H VAL A 783 -12.577 9.673 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 783 -15.053 8.870 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 783 -16.011 10.348 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 783 -14.843 12.425 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 783 -15.087 11.352 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 783 -13.485 11.463 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 783 -14.553 11.478 -7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 783 -13.181 10.481 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 783 -14.580 9.716 -7.272 1.00 0.00 H new ATOM 1155 N SER A 784 -13.985 7.077 -5.998 1.00 0.00 N ATOM 1156 CA SER A 784 -14.240 5.972 -6.904 1.00 0.00 C ATOM 1157 C SER A 784 -13.523 4.725 -6.422 1.00 0.00 C ATOM 1158 O SER A 784 -12.360 4.784 -6.020 1.00 0.00 O ATOM 1159 CB SER A 784 -13.798 6.322 -8.315 1.00 0.00 C ATOM 1160 OG SER A 784 -14.478 7.468 -8.798 1.00 0.00 O ATOM 0 H SER A 784 -13.006 7.187 -5.733 1.00 0.00 H new ATOM 0 HA SER A 784 -15.313 5.778 -6.919 1.00 0.00 H new ATOM 0 HB2 SER A 784 -12.723 6.502 -8.328 1.00 0.00 H new ATOM 0 HB3 SER A 784 -13.988 5.478 -8.978 1.00 0.00 H new ATOM 0 HG SER A 784 -14.173 7.671 -9.707 1.00 0.00 H new ATOM 1166 N LYS A 785 -14.220 3.601 -6.457 1.00 0.00 N ATOM 1167 CA LYS A 785 -13.652 2.344 -6.007 1.00 0.00 C ATOM 1168 C LYS A 785 -12.330 2.062 -6.699 1.00 0.00 C ATOM 1169 O LYS A 785 -11.315 1.793 -6.051 1.00 0.00 O ATOM 1170 CB LYS A 785 -14.635 1.197 -6.254 1.00 0.00 C ATOM 1171 CG LYS A 785 -15.144 1.121 -7.684 1.00 0.00 C ATOM 1172 CD LYS A 785 -16.268 0.107 -7.821 1.00 0.00 C ATOM 1173 CE LYS A 785 -16.755 0.006 -9.257 1.00 0.00 C ATOM 1174 NZ LYS A 785 -17.203 1.323 -9.787 1.00 0.00 N ATOM 0 H LYS A 785 -15.181 3.535 -6.793 1.00 0.00 H new ATOM 0 HA LYS A 785 -13.464 2.423 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 785 -14.150 0.254 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 785 -15.485 1.309 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 785 -15.498 2.103 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 785 -14.324 0.850 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 785 -15.921 -0.870 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 785 -17.097 0.392 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 785 -15.954 -0.384 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 785 -17.578 -0.706 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 785 -17.726 1.180 -10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 785 -17.822 1.785 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 785 -16.374 1.925 -9.967 1.00 0.00 H new ATOM 1188 N LYS A 786 -12.318 2.157 -8.014 1.00 0.00 N ATOM 1189 CA LYS A 786 -11.105 1.867 -8.738 1.00 0.00 C ATOM 1190 C LYS A 786 -10.078 2.976 -8.596 1.00 0.00 C ATOM 1191 O LYS A 786 -8.904 2.718 -8.772 1.00 0.00 O ATOM 1192 CB LYS A 786 -11.382 1.561 -10.208 1.00 0.00 C ATOM 1193 CG LYS A 786 -12.573 0.637 -10.423 1.00 0.00 C ATOM 1194 CD LYS A 786 -12.905 0.479 -11.900 1.00 0.00 C ATOM 1195 CE LYS A 786 -11.796 -0.240 -12.653 1.00 0.00 C ATOM 1196 NZ LYS A 786 -12.115 -0.390 -14.101 1.00 0.00 N ATOM 0 H LYS A 786 -13.116 2.427 -8.589 1.00 0.00 H new ATOM 0 HA LYS A 786 -10.680 0.970 -8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 786 -11.558 2.497 -10.739 1.00 0.00 H new ATOM 0 HB3 LYS A 786 -10.495 1.106 -10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 786 -12.357 -0.341 -9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 786 -13.441 1.033 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 786 -13.836 -0.077 -12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 786 -13.068 1.461 -12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 786 -10.864 0.314 -12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 786 -11.637 -1.224 -12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 786 -11.335 -0.885 -14.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 786 -12.991 -0.940 -14.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 786 -12.242 0.550 -14.528 1.00 0.00 H new ATOM 1210 N LEU A 787 -10.490 4.210 -8.318 1.00 0.00 N ATOM 1211 CA LEU A 787 -9.496 5.260 -8.102 1.00 0.00 C ATOM 1212 C LEU A 787 -8.553 4.736 -7.063 1.00 0.00 C ATOM 1213 O LEU A 787 -7.342 4.621 -7.262 1.00 0.00 O ATOM 1214 CB LEU A 787 -10.127 6.521 -7.567 1.00 0.00 C ATOM 1215 CG LEU A 787 -10.305 7.636 -8.567 1.00 0.00 C ATOM 1216 CD1 LEU A 787 -11.011 8.815 -7.944 1.00 0.00 C ATOM 1217 CD2 LEU A 787 -8.946 8.011 -9.068 1.00 0.00 C ATOM 0 H LEU A 787 -11.464 4.502 -8.239 1.00 0.00 H new ATOM 0 HA LEU A 787 -9.005 5.503 -9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 787 -11.103 6.270 -7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 787 -9.516 6.890 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 787 -10.931 7.308 -9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 787 -11.126 9.604 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 787 -11.994 8.505 -7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 787 -10.424 9.189 -7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 787 -9.036 8.817 -9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 787 -8.329 8.343 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 787 -8.481 7.146 -9.541 1.00 0.00 H new ATOM 1229 N PHE A 788 -9.171 4.420 -5.941 1.00 0.00 N ATOM 1230 CA PHE A 788 -8.509 3.814 -4.824 1.00 0.00 C ATOM 1231 C PHE A 788 -7.567 2.763 -5.337 1.00 0.00 C ATOM 1232 O PHE A 788 -6.414 2.675 -4.919 1.00 0.00 O ATOM 1233 CB PHE A 788 -9.571 3.156 -3.972 1.00 0.00 C ATOM 1234 CG PHE A 788 -9.006 2.057 -3.158 1.00 0.00 C ATOM 1235 CD1 PHE A 788 -8.359 2.361 -2.006 1.00 0.00 C ATOM 1236 CD2 PHE A 788 -9.069 0.743 -3.576 1.00 0.00 C ATOM 1237 CE1 PHE A 788 -7.770 1.400 -1.254 1.00 0.00 C ATOM 1238 CE2 PHE A 788 -8.493 -0.250 -2.825 1.00 0.00 C ATOM 1239 CZ PHE A 788 -7.835 0.075 -1.658 1.00 0.00 C ATOM 0 H PHE A 788 -10.166 4.584 -5.787 1.00 0.00 H new ATOM 0 HA PHE A 788 -7.953 4.552 -4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 788 -10.026 3.899 -3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 788 -10.363 2.767 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 788 -8.312 3.390 -1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 788 -9.574 0.496 -4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 788 -7.252 1.665 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 788 -8.555 -1.279 -3.146 1.00 0.00 H new ATOM 0 HZ PHE A 788 -7.373 -0.698 -1.062 1.00 0.00 H new ATOM 1249 N MET A 789 -8.081 1.962 -6.252 1.00 0.00 N ATOM 1250 CA MET A 789 -7.295 0.900 -6.817 1.00 0.00 C ATOM 1251 C MET A 789 -6.119 1.413 -7.619 1.00 0.00 C ATOM 1252 O MET A 789 -4.986 1.167 -7.267 1.00 0.00 O ATOM 1253 CB MET A 789 -8.136 -0.006 -7.678 1.00 0.00 C ATOM 1254 CG MET A 789 -8.718 -1.144 -6.895 1.00 0.00 C ATOM 1255 SD MET A 789 -10.430 -1.425 -7.303 1.00 0.00 S ATOM 1256 CE MET A 789 -11.121 -1.109 -5.701 1.00 0.00 C ATOM 0 H MET A 789 -9.033 2.032 -6.613 1.00 0.00 H new ATOM 0 HA MET A 789 -6.904 0.332 -5.973 1.00 0.00 H new ATOM 0 HB2 MET A 789 -8.942 0.571 -8.132 1.00 0.00 H new ATOM 0 HB3 MET A 789 -7.528 -0.400 -8.492 1.00 0.00 H new ATOM 0 HG2 MET A 789 -8.145 -2.050 -7.091 1.00 0.00 H new ATOM 0 HG3 MET A 789 -8.629 -0.934 -5.829 1.00 0.00 H new ATOM 0 HE1 MET A 789 -12.174 -0.848 -5.804 1.00 0.00 H new ATOM 0 HE2 MET A 789 -11.027 -2.001 -5.082 1.00 0.00 H new ATOM 0 HE3 MET A 789 -10.587 -0.283 -5.231 1.00 0.00 H new ATOM 1266 N ALA A 790 -6.384 2.148 -8.686 1.00 0.00 N ATOM 1267 CA ALA A 790 -5.320 2.664 -9.521 1.00 0.00 C ATOM 1268 C ALA A 790 -4.169 3.148 -8.676 1.00 0.00 C ATOM 1269 O ALA A 790 -3.041 3.133 -9.120 1.00 0.00 O ATOM 1270 CB ALA A 790 -5.813 3.809 -10.379 1.00 0.00 C ATOM 0 H ALA A 790 -7.324 2.399 -8.991 1.00 0.00 H new ATOM 0 HA ALA A 790 -4.985 1.851 -10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 790 -4.995 4.179 -10.997 1.00 0.00 H new ATOM 0 HB2 ALA A 790 -6.623 3.461 -11.020 1.00 0.00 H new ATOM 0 HB3 ALA A 790 -6.177 4.613 -9.739 1.00 0.00 H new ATOM 1276 N ASP A 791 -4.461 3.560 -7.450 1.00 0.00 N ATOM 1277 CA ASP A 791 -3.424 4.035 -6.553 1.00 0.00 C ATOM 1278 C ASP A 791 -2.778 2.856 -5.847 1.00 0.00 C ATOM 1279 O ASP A 791 -1.556 2.737 -5.814 1.00 0.00 O ATOM 1280 CB ASP A 791 -3.988 5.006 -5.522 1.00 0.00 C ATOM 1281 CG ASP A 791 -4.600 6.242 -6.154 1.00 0.00 C ATOM 1282 OD1 ASP A 791 -5.288 6.105 -7.186 1.00 0.00 O ATOM 1283 OD2 ASP A 791 -4.384 7.349 -5.618 1.00 0.00 O ATOM 0 H ASP A 791 -5.403 3.574 -7.058 1.00 0.00 H new ATOM 0 HA ASP A 791 -2.677 4.564 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 791 -4.744 4.496 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 791 -3.193 5.308 -4.840 1.00 0.00 H new ATOM 1288 N LEU A 792 -3.608 1.987 -5.272 1.00 0.00 N ATOM 1289 CA LEU A 792 -3.097 0.816 -4.586 1.00 0.00 C ATOM 1290 C LEU A 792 -2.509 -0.109 -5.624 1.00 0.00 C ATOM 1291 O LEU A 792 -1.342 -0.495 -5.546 1.00 0.00 O ATOM 1292 CB LEU A 792 -4.186 0.108 -3.763 1.00 0.00 C ATOM 1293 CG LEU A 792 -3.685 -0.761 -2.639 1.00 0.00 C ATOM 1294 CD1 LEU A 792 -2.204 -0.872 -2.649 1.00 0.00 C ATOM 1295 CD2 LEU A 792 -4.137 -0.272 -1.291 1.00 0.00 C ATOM 0 H LEU A 792 -4.624 2.075 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 792 -2.331 1.119 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 792 -4.851 0.864 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 792 -4.784 -0.507 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 792 -4.119 -1.746 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 792 -1.881 -1.506 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 792 -1.878 -1.310 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 792 -1.764 0.119 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 792 -3.749 -0.933 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 792 -3.764 0.739 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 792 -5.226 -0.267 -1.252 1.00 0.00 H new ATOM 1307 N GLN A 793 -3.333 -0.459 -6.596 1.00 0.00 N ATOM 1308 CA GLN A 793 -2.892 -1.274 -7.700 1.00 0.00 C ATOM 1309 C GLN A 793 -1.575 -0.707 -8.194 1.00 0.00 C ATOM 1310 O GLN A 793 -0.626 -1.443 -8.446 1.00 0.00 O ATOM 1311 CB GLN A 793 -3.948 -1.273 -8.807 1.00 0.00 C ATOM 1312 CG GLN A 793 -5.064 -2.271 -8.552 1.00 0.00 C ATOM 1313 CD GLN A 793 -6.173 -2.229 -9.591 1.00 0.00 C ATOM 1314 OE1 GLN A 793 -7.391 -2.610 -9.192 1.00 0.00 O flip ATOM 1315 NE2 GLN A 793 -5.939 -1.864 -10.744 1.00 0.00 N flip ATOM 0 H GLN A 793 -4.315 -0.187 -6.637 1.00 0.00 H new ATOM 0 HA GLN A 793 -2.751 -2.309 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 793 -4.373 -0.273 -8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 793 -3.471 -1.503 -9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 793 -4.642 -3.275 -8.525 1.00 0.00 H new ATOM 0 HG3 GLN A 793 -5.493 -2.079 -7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 793 -4.995 -1.581 -11.008 1.00 0.00 H new ATOM 0 HE22 GLN A 793 -6.689 -1.845 -11.435 1.00 0.00 H new ATOM 1324 N ARG A 794 -1.527 0.624 -8.286 1.00 0.00 N ATOM 1325 CA ARG A 794 -0.320 1.322 -8.706 1.00 0.00 C ATOM 1326 C ARG A 794 0.875 0.958 -7.824 1.00 0.00 C ATOM 1327 O ARG A 794 1.917 0.565 -8.340 1.00 0.00 O ATOM 1328 CB ARG A 794 -0.530 2.825 -8.695 1.00 0.00 C ATOM 1329 CG ARG A 794 0.735 3.595 -8.899 1.00 0.00 C ATOM 1330 CD ARG A 794 0.951 3.844 -10.369 1.00 0.00 C ATOM 1331 NE ARG A 794 0.330 5.087 -10.820 1.00 0.00 N ATOM 1332 CZ ARG A 794 0.794 6.298 -10.522 1.00 0.00 C ATOM 1333 NH1 ARG A 794 1.876 6.433 -9.768 1.00 0.00 N ATOM 1334 NH2 ARG A 794 0.172 7.378 -10.977 1.00 0.00 N ATOM 0 H ARG A 794 -2.314 1.237 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 794 -0.103 1.003 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 794 -1.241 3.092 -9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 794 -0.977 3.117 -7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 794 0.684 4.543 -8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 794 1.579 3.041 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 794 2.021 3.880 -10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 794 0.544 3.009 -10.940 1.00 0.00 H new ATOM 0 HE ARG A 794 -0.509 5.023 -11.397 1.00 0.00 H new ATOM 0 HH11 ARG A 794 2.357 5.606 -9.413 1.00 0.00 H new ATOM 0 HH12 ARG A 794 2.228 7.364 -9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 794 -0.662 7.280 -11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 794 0.528 8.306 -10.748 1.00 0.00 H new ATOM 1348 N VAL A 795 0.741 1.100 -6.499 1.00 0.00 N ATOM 1349 CA VAL A 795 1.852 0.772 -5.602 1.00 0.00 C ATOM 1350 C VAL A 795 2.413 -0.590 -5.965 1.00 0.00 C ATOM 1351 O VAL A 795 3.628 -0.789 -6.011 1.00 0.00 O ATOM 1352 CB VAL A 795 1.462 0.780 -4.098 1.00 0.00 C ATOM 1353 CG1 VAL A 795 0.365 1.778 -3.814 1.00 0.00 C ATOM 1354 CG2 VAL A 795 1.065 -0.604 -3.600 1.00 0.00 C ATOM 0 H VAL A 795 -0.105 1.432 -6.035 1.00 0.00 H new ATOM 0 HA VAL A 795 2.599 1.554 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 795 2.353 1.086 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 795 0.119 1.756 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 795 0.703 2.778 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 795 -0.520 1.522 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 795 0.801 -0.549 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 795 0.208 -0.964 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 795 1.901 -1.291 -3.729 1.00 0.00 H new ATOM 1364 N PHE A 796 1.510 -1.528 -6.220 1.00 0.00 N ATOM 1365 CA PHE A 796 1.905 -2.870 -6.593 1.00 0.00 C ATOM 1366 C PHE A 796 2.667 -2.840 -7.920 1.00 0.00 C ATOM 1367 O PHE A 796 3.626 -3.585 -8.106 1.00 0.00 O ATOM 1368 CB PHE A 796 0.690 -3.800 -6.740 1.00 0.00 C ATOM 1369 CG PHE A 796 -0.335 -3.756 -5.631 1.00 0.00 C ATOM 1370 CD1 PHE A 796 0.022 -3.667 -4.298 1.00 0.00 C ATOM 1371 CD2 PHE A 796 -1.676 -3.845 -5.939 1.00 0.00 C ATOM 1372 CE1 PHE A 796 -0.931 -3.667 -3.306 1.00 0.00 C ATOM 1373 CE2 PHE A 796 -2.634 -3.837 -4.949 1.00 0.00 C ATOM 1374 CZ PHE A 796 -2.257 -3.750 -3.627 1.00 0.00 C ATOM 0 H PHE A 796 0.502 -1.380 -6.174 1.00 0.00 H new ATOM 0 HA PHE A 796 2.543 -3.255 -5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 796 0.188 -3.559 -7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 796 1.054 -4.824 -6.827 1.00 0.00 H new ATOM 0 HD1 PHE A 796 1.066 -3.596 -4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 796 -1.980 -3.922 -6.972 1.00 0.00 H new ATOM 0 HE1 PHE A 796 -0.631 -3.601 -2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 796 -3.680 -3.899 -5.209 1.00 0.00 H new ATOM 0 HZ PHE A 796 -3.005 -3.747 -2.848 1.00 0.00 H new ATOM 1384 N THR A 797 2.240 -1.962 -8.837 1.00 0.00 N ATOM 1385 CA THR A 797 2.876 -1.864 -10.151 1.00 0.00 C ATOM 1386 C THR A 797 4.316 -1.365 -10.057 1.00 0.00 C ATOM 1387 O THR A 797 5.242 -2.042 -10.503 1.00 0.00 O ATOM 1388 CB THR A 797 2.109 -0.938 -11.116 1.00 0.00 C ATOM 1389 OG1 THR A 797 2.300 0.435 -10.759 1.00 0.00 O ATOM 1390 CG2 THR A 797 0.634 -1.268 -11.099 1.00 0.00 C ATOM 0 H THR A 797 1.464 -1.316 -8.693 1.00 0.00 H new ATOM 0 HA THR A 797 2.863 -2.880 -10.545 1.00 0.00 H new ATOM 0 HB THR A 797 2.500 -1.097 -12.121 1.00 0.00 H new ATOM 0 HG1 THR A 797 1.932 0.595 -9.865 1.00 0.00 H new ATOM 0 HG21 THR A 797 0.105 -0.606 -11.785 1.00 0.00 H new ATOM 0 HG22 THR A 797 0.489 -2.303 -11.409 1.00 0.00 H new ATOM 0 HG23 THR A 797 0.243 -1.133 -10.091 1.00 0.00 H new ATOM 1398 N ASN A 798 4.501 -0.175 -9.479 1.00 0.00 N ATOM 1399 CA ASN A 798 5.836 0.400 -9.344 1.00 0.00 C ATOM 1400 C ASN A 798 6.736 -0.526 -8.544 1.00 0.00 C ATOM 1401 O ASN A 798 7.934 -0.623 -8.806 1.00 0.00 O ATOM 1402 CB ASN A 798 5.785 1.782 -8.688 1.00 0.00 C ATOM 1403 CG ASN A 798 4.833 1.845 -7.512 1.00 0.00 C ATOM 1404 OD1 ASN A 798 3.643 2.386 -7.745 1.00 0.00 O flip ATOM 1405 ND2 ASN A 798 5.168 1.429 -6.403 1.00 0.00 N flip ATOM 0 H ASN A 798 3.749 0.402 -9.101 1.00 0.00 H new ATOM 0 HA ASN A 798 6.249 0.517 -10.346 1.00 0.00 H new ATOM 0 HB2 ASN A 798 6.785 2.056 -8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 798 5.484 2.520 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 798 6.093 1.020 -6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 798 4.521 1.493 -5.617 1.00 0.00 H new ATOM 1412 N CYS A 799 6.153 -1.204 -7.564 1.00 0.00 N ATOM 1413 CA CYS A 799 6.908 -2.136 -6.742 1.00 0.00 C ATOM 1414 C CYS A 799 7.554 -3.192 -7.626 1.00 0.00 C ATOM 1415 O CYS A 799 8.760 -3.426 -7.562 1.00 0.00 O ATOM 1416 CB CYS A 799 5.999 -2.814 -5.721 1.00 0.00 C ATOM 1417 SG CYS A 799 6.884 -3.875 -4.564 1.00 0.00 S ATOM 0 H CYS A 799 5.165 -1.126 -7.321 1.00 0.00 H new ATOM 0 HA CYS A 799 7.679 -1.580 -6.209 1.00 0.00 H new ATOM 0 HB2 CYS A 799 5.460 -2.049 -5.161 1.00 0.00 H new ATOM 0 HB3 CYS A 799 5.253 -3.408 -6.249 1.00 0.00 H new ATOM 0 HG CYS A 799 6.263 -3.884 -3.422 1.00 0.00 H new ATOM 1423 N LYS A 800 6.728 -3.822 -8.452 1.00 0.00 N ATOM 1424 CA LYS A 800 7.189 -4.849 -9.371 1.00 0.00 C ATOM 1425 C LYS A 800 8.050 -4.240 -10.478 1.00 0.00 C ATOM 1426 O LYS A 800 8.832 -4.935 -11.126 1.00 0.00 O ATOM 1427 CB LYS A 800 5.993 -5.569 -9.984 1.00 0.00 C ATOM 1428 CG LYS A 800 4.976 -6.075 -8.973 1.00 0.00 C ATOM 1429 CD LYS A 800 3.600 -6.178 -9.606 1.00 0.00 C ATOM 1430 CE LYS A 800 2.584 -6.715 -8.624 1.00 0.00 C ATOM 1431 NZ LYS A 800 1.259 -6.948 -9.264 1.00 0.00 N ATOM 0 H LYS A 800 5.726 -3.635 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 800 7.796 -5.563 -8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 800 5.493 -4.892 -10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 800 6.355 -6.414 -10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 800 5.283 -7.051 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 800 4.939 -5.401 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 800 3.285 -5.196 -9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 800 3.646 -6.830 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 800 2.950 -7.649 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 800 2.470 -6.011 -7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 800 0.526 -7.017 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 800 1.037 -6.156 -9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 800 1.288 -7.833 -9.809 1.00 0.00 H new ATOM 1445 N GLU A 801 7.895 -2.935 -10.684 1.00 0.00 N ATOM 1446 CA GLU A 801 8.636 -2.215 -11.720 1.00 0.00 C ATOM 1447 C GLU A 801 10.069 -1.935 -11.311 1.00 0.00 C ATOM 1448 O GLU A 801 10.994 -2.024 -12.118 1.00 0.00 O ATOM 1449 CB GLU A 801 7.988 -0.861 -11.990 1.00 0.00 C ATOM 1450 CG GLU A 801 8.260 -0.320 -13.384 1.00 0.00 C ATOM 1451 CD GLU A 801 7.671 -1.194 -14.474 1.00 0.00 C ATOM 1452 OE1 GLU A 801 6.490 -0.988 -14.825 1.00 0.00 O ATOM 1453 OE2 GLU A 801 8.389 -2.081 -14.977 1.00 0.00 O ATOM 0 H GLU A 801 7.258 -2.349 -10.144 1.00 0.00 H new ATOM 0 HA GLU A 801 8.621 -2.855 -12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 801 6.911 -0.949 -11.848 1.00 0.00 H new ATOM 0 HB3 GLU A 801 8.349 -0.142 -11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 801 7.847 0.685 -13.467 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.336 -0.235 -13.533 1.00 0.00 H new ATOM 1460 N TYR A 802 10.235 -1.624 -10.039 1.00 0.00 N ATOM 1461 CA TYR A 802 11.512 -1.211 -9.496 1.00 0.00 C ATOM 1462 C TYR A 802 12.181 -2.316 -8.709 1.00 0.00 C ATOM 1463 O TYR A 802 13.341 -2.196 -8.312 1.00 0.00 O ATOM 1464 CB TYR A 802 11.214 0.010 -8.621 1.00 0.00 C ATOM 1465 CG TYR A 802 12.139 0.269 -7.469 1.00 0.00 C ATOM 1466 CD1 TYR A 802 12.100 -0.506 -6.320 1.00 0.00 C ATOM 1467 CD2 TYR A 802 13.026 1.320 -7.528 1.00 0.00 C ATOM 1468 CE1 TYR A 802 12.935 -0.240 -5.259 1.00 0.00 C ATOM 1469 CE2 TYR A 802 13.866 1.598 -6.462 1.00 0.00 C ATOM 1470 CZ TYR A 802 13.812 0.810 -5.332 1.00 0.00 C ATOM 1471 OH TYR A 802 14.633 1.076 -4.264 1.00 0.00 O ATOM 0 H TYR A 802 9.482 -1.652 -9.351 1.00 0.00 H new ATOM 0 HA TYR A 802 12.216 -0.968 -10.292 1.00 0.00 H new ATOM 0 HB2 TYR A 802 11.215 0.893 -9.261 1.00 0.00 H new ATOM 0 HB3 TYR A 802 10.204 -0.096 -8.226 1.00 0.00 H new ATOM 0 HD1 TYR A 802 11.405 -1.330 -6.257 1.00 0.00 H new ATOM 0 HD2 TYR A 802 13.068 1.935 -8.415 1.00 0.00 H new ATOM 0 HE1 TYR A 802 12.899 -0.856 -4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 802 14.558 2.426 -6.516 1.00 0.00 H new ATOM 0 HH TYR A 802 15.197 1.850 -4.470 1.00 0.00 H new ATOM 1481 N ASN A 803 11.473 -3.409 -8.521 1.00 0.00 N ATOM 1482 CA ASN A 803 12.008 -4.494 -7.724 1.00 0.00 C ATOM 1483 C ASN A 803 11.584 -5.872 -8.231 1.00 0.00 C ATOM 1484 O ASN A 803 10.523 -6.020 -8.835 1.00 0.00 O ATOM 1485 CB ASN A 803 11.514 -4.297 -6.303 1.00 0.00 C ATOM 1486 CG ASN A 803 12.626 -3.902 -5.356 1.00 0.00 C ATOM 1487 OD1 ASN A 803 13.724 -4.453 -5.399 1.00 0.00 O ATOM 1488 ND2 ASN A 803 12.347 -2.930 -4.503 1.00 0.00 N ATOM 0 H ASN A 803 10.541 -3.570 -8.902 1.00 0.00 H new ATOM 0 HA ASN A 803 13.096 -4.468 -7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 803 10.742 -3.528 -6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 803 11.051 -5.219 -5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 803 13.058 -2.609 -3.845 1.00 0.00 H new ATOM 0 HD22 ASN A 803 11.421 -2.501 -4.503 1.00 0.00 H new ATOM 1495 N PRO A 804 12.420 -6.904 -7.986 1.00 0.00 N ATOM 1496 CA PRO A 804 12.129 -8.281 -8.380 1.00 0.00 C ATOM 1497 C PRO A 804 11.305 -8.986 -7.306 1.00 0.00 C ATOM 1498 O PRO A 804 11.379 -8.615 -6.133 1.00 0.00 O ATOM 1499 CB PRO A 804 13.526 -8.877 -8.458 1.00 0.00 C ATOM 1500 CG PRO A 804 14.217 -8.247 -7.309 1.00 0.00 C ATOM 1501 CD PRO A 804 13.740 -6.818 -7.318 1.00 0.00 C ATOM 0 HA PRO A 804 11.552 -8.369 -9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 804 13.507 -9.963 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 804 14.015 -8.640 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 804 13.964 -8.744 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 804 15.300 -8.304 -7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 804 13.655 -6.416 -6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 804 14.425 -6.169 -7.863 1.00 0.00 H new ATOM 1509 N PRO A 805 10.529 -10.021 -7.671 1.00 0.00 N ATOM 1510 CA PRO A 805 9.685 -10.748 -6.712 1.00 0.00 C ATOM 1511 C PRO A 805 10.498 -11.517 -5.672 1.00 0.00 C ATOM 1512 O PRO A 805 9.961 -12.338 -4.928 1.00 0.00 O ATOM 1513 CB PRO A 805 8.884 -11.697 -7.600 1.00 0.00 C ATOM 1514 CG PRO A 805 9.738 -11.901 -8.801 1.00 0.00 C ATOM 1515 CD PRO A 805 10.426 -10.585 -9.031 1.00 0.00 C ATOM 0 HA PRO A 805 9.064 -10.075 -6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 805 8.683 -12.640 -7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 805 7.919 -11.268 -7.869 1.00 0.00 H new ATOM 0 HG2 PRO A 805 10.462 -12.699 -8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 805 9.138 -12.187 -9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 805 11.407 -10.717 -9.488 1.00 0.00 H new ATOM 0 HD3 PRO A 805 9.850 -9.939 -9.693 1.00 0.00 H new ATOM 1523 N GLU A 806 11.797 -11.240 -5.632 1.00 0.00 N ATOM 1524 CA GLU A 806 12.703 -11.881 -4.693 1.00 0.00 C ATOM 1525 C GLU A 806 13.293 -10.879 -3.690 1.00 0.00 C ATOM 1526 O GLU A 806 13.785 -11.272 -2.633 1.00 0.00 O ATOM 1527 CB GLU A 806 13.835 -12.560 -5.460 1.00 0.00 C ATOM 1528 CG GLU A 806 13.971 -12.095 -6.899 1.00 0.00 C ATOM 1529 CD GLU A 806 14.911 -12.968 -7.709 1.00 0.00 C ATOM 1530 OE1 GLU A 806 16.138 -12.750 -7.631 1.00 0.00 O ATOM 1531 OE2 GLU A 806 14.419 -13.870 -8.420 1.00 0.00 O ATOM 0 H GLU A 806 12.248 -10.565 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 806 12.131 -12.619 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 806 14.775 -12.376 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 806 13.671 -13.638 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 806 12.988 -12.092 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 806 14.334 -11.067 -6.912 1.00 0.00 H new ATOM 1538 N SER A 807 13.242 -9.586 -4.023 1.00 0.00 N ATOM 1539 CA SER A 807 13.792 -8.543 -3.146 1.00 0.00 C ATOM 1540 C SER A 807 12.888 -8.254 -1.955 1.00 0.00 C ATOM 1541 O SER A 807 13.059 -7.233 -1.288 1.00 0.00 O ATOM 1542 CB SER A 807 14.013 -7.238 -3.922 1.00 0.00 C ATOM 1543 OG SER A 807 15.361 -7.117 -4.343 1.00 0.00 O ATOM 0 H SER A 807 12.829 -9.236 -4.887 1.00 0.00 H new ATOM 0 HA SER A 807 14.743 -8.925 -2.776 1.00 0.00 H new ATOM 0 HB2 SER A 807 13.354 -7.211 -4.790 1.00 0.00 H new ATOM 0 HB3 SER A 807 13.747 -6.388 -3.293 1.00 0.00 H new ATOM 0 HG SER A 807 15.474 -6.281 -4.841 1.00 0.00 H new ATOM 1549 N GLU A 808 11.924 -9.135 -1.693 1.00 0.00 N ATOM 1550 CA GLU A 808 10.996 -8.940 -0.580 1.00 0.00 C ATOM 1551 C GLU A 808 10.092 -7.734 -0.844 1.00 0.00 C ATOM 1552 O GLU A 808 9.079 -7.545 -0.177 1.00 0.00 O ATOM 1553 CB GLU A 808 11.770 -8.760 0.738 1.00 0.00 C ATOM 1554 CG GLU A 808 10.956 -8.154 1.876 1.00 0.00 C ATOM 1555 CD GLU A 808 9.866 -9.084 2.378 1.00 0.00 C ATOM 1556 OE1 GLU A 808 8.943 -9.398 1.598 1.00 0.00 O ATOM 1557 OE2 GLU A 808 9.938 -9.500 3.554 1.00 0.00 O ATOM 0 H GLU A 808 11.765 -9.986 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 808 10.368 -9.826 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 808 12.149 -9.731 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 808 12.637 -8.126 0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 808 11.623 -7.904 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 808 10.505 -7.221 1.538 1.00 0.00 H new ATOM 1564 N TYR A 809 10.456 -6.936 -1.839 1.00 0.00 N ATOM 1565 CA TYR A 809 9.691 -5.751 -2.191 1.00 0.00 C ATOM 1566 C TYR A 809 8.546 -6.110 -3.113 1.00 0.00 C ATOM 1567 O TYR A 809 7.373 -5.985 -2.759 1.00 0.00 O ATOM 1568 CB TYR A 809 10.594 -4.749 -2.897 1.00 0.00 C ATOM 1569 CG TYR A 809 11.527 -4.020 -1.972 1.00 0.00 C ATOM 1570 CD1 TYR A 809 11.037 -3.079 -1.094 1.00 0.00 C ATOM 1571 CD2 TYR A 809 12.894 -4.269 -1.979 1.00 0.00 C ATOM 1572 CE1 TYR A 809 11.873 -2.397 -0.250 1.00 0.00 C ATOM 1573 CE2 TYR A 809 13.743 -3.590 -1.131 1.00 0.00 C ATOM 1574 CZ TYR A 809 13.228 -2.652 -0.268 1.00 0.00 C ATOM 1575 OH TYR A 809 14.066 -1.966 0.580 1.00 0.00 O ATOM 0 H TYR A 809 11.281 -7.091 -2.418 1.00 0.00 H new ATOM 0 HA TYR A 809 9.291 -5.316 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 809 11.181 -5.271 -3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 809 9.974 -4.021 -3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 809 9.977 -2.875 -1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 809 13.297 -5.005 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 809 11.471 -1.660 0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 809 14.804 -3.793 -1.145 1.00 0.00 H new ATOM 0 HH TYR A 809 14.989 -2.266 0.441 1.00 0.00 H new ATOM 1585 N TYR A 810 8.905 -6.567 -4.300 1.00 0.00 N ATOM 1586 CA TYR A 810 7.927 -6.955 -5.291 1.00 0.00 C ATOM 1587 C TYR A 810 6.954 -7.954 -4.691 1.00 0.00 C ATOM 1588 O TYR A 810 5.750 -7.713 -4.662 1.00 0.00 O ATOM 1589 CB TYR A 810 8.649 -7.538 -6.521 1.00 0.00 C ATOM 1590 CG TYR A 810 7.766 -8.183 -7.584 1.00 0.00 C ATOM 1591 CD1 TYR A 810 6.641 -8.913 -7.243 1.00 0.00 C ATOM 1592 CD2 TYR A 810 8.068 -8.064 -8.936 1.00 0.00 C ATOM 1593 CE1 TYR A 810 5.849 -9.495 -8.176 1.00 0.00 C ATOM 1594 CE2 TYR A 810 7.269 -8.655 -9.899 1.00 0.00 C ATOM 1595 CZ TYR A 810 6.156 -9.372 -9.512 1.00 0.00 C ATOM 1596 OH TYR A 810 5.354 -9.961 -10.462 1.00 0.00 O ATOM 0 H TYR A 810 9.874 -6.677 -4.598 1.00 0.00 H new ATOM 0 HA TYR A 810 7.355 -6.084 -5.611 1.00 0.00 H new ATOM 0 HB2 TYR A 810 9.221 -6.739 -6.992 1.00 0.00 H new ATOM 0 HB3 TYR A 810 9.366 -8.282 -6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 810 6.386 -9.022 -6.199 1.00 0.00 H new ATOM 0 HD2 TYR A 810 8.939 -7.502 -9.239 1.00 0.00 H new ATOM 0 HE1 TYR A 810 4.977 -10.055 -7.871 1.00 0.00 H new ATOM 0 HE2 TYR A 810 7.515 -8.556 -10.946 1.00 0.00 H new ATOM 0 HH TYR A 810 5.713 -9.775 -11.355 1.00 0.00 H new ATOM 1606 N LYS A 811 7.468 -9.091 -4.233 1.00 0.00 N ATOM 1607 CA LYS A 811 6.603 -10.120 -3.677 1.00 0.00 C ATOM 1608 C LYS A 811 5.625 -9.521 -2.679 1.00 0.00 C ATOM 1609 O LYS A 811 4.463 -9.900 -2.651 1.00 0.00 O ATOM 1610 CB LYS A 811 7.411 -11.232 -3.020 1.00 0.00 C ATOM 1611 CG LYS A 811 8.322 -10.742 -1.924 1.00 0.00 C ATOM 1612 CD LYS A 811 8.799 -11.884 -1.038 1.00 0.00 C ATOM 1613 CE LYS A 811 9.794 -12.779 -1.761 1.00 0.00 C ATOM 1614 NZ LYS A 811 11.065 -12.067 -2.060 1.00 0.00 N ATOM 0 H LYS A 811 8.462 -9.319 -4.236 1.00 0.00 H new ATOM 0 HA LYS A 811 6.039 -10.555 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 811 6.727 -11.974 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 811 8.008 -11.735 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 811 9.183 -10.238 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 811 7.797 -10.005 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 811 9.262 -11.478 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 811 7.943 -12.477 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 811 10.005 -13.656 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 811 9.351 -13.137 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 11.789 -12.756 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 10.909 -11.386 -2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 11.387 -11.560 -1.211 1.00 0.00 H new ATOM 1628 N CYS A 812 6.114 -8.597 -1.860 1.00 0.00 N ATOM 1629 CA CYS A 812 5.278 -7.906 -0.877 1.00 0.00 C ATOM 1630 C CYS A 812 4.072 -7.308 -1.569 1.00 0.00 C ATOM 1631 O CYS A 812 2.951 -7.361 -1.064 1.00 0.00 O ATOM 1632 CB CYS A 812 6.086 -6.817 -0.187 1.00 0.00 C ATOM 1633 SG CYS A 812 6.769 -7.330 1.402 1.00 0.00 S ATOM 0 H CYS A 812 7.091 -8.305 -1.855 1.00 0.00 H new ATOM 0 HA CYS A 812 4.938 -8.618 -0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 812 6.901 -6.509 -0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 812 5.451 -5.944 -0.036 1.00 0.00 H new ATOM 0 HG CYS A 812 7.911 -7.922 1.213 1.00 0.00 H new ATOM 1639 N ALA A 813 4.324 -6.737 -2.732 1.00 0.00 N ATOM 1640 CA ALA A 813 3.272 -6.162 -3.543 1.00 0.00 C ATOM 1641 C ALA A 813 2.219 -7.213 -3.757 1.00 0.00 C ATOM 1642 O ALA A 813 1.048 -6.993 -3.509 1.00 0.00 O ATOM 1643 CB ALA A 813 3.846 -5.702 -4.875 1.00 0.00 C ATOM 0 H ALA A 813 5.257 -6.660 -3.137 1.00 0.00 H new ATOM 0 HA ALA A 813 2.833 -5.298 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 813 3.052 -5.270 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 813 4.618 -4.952 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.280 -6.554 -5.398 1.00 0.00 H new ATOM 1649 N ASN A 814 2.682 -8.378 -4.172 1.00 0.00 N ATOM 1650 CA ASN A 814 1.822 -9.512 -4.432 1.00 0.00 C ATOM 1651 C ASN A 814 1.216 -10.074 -3.145 1.00 0.00 C ATOM 1652 O ASN A 814 0.067 -10.515 -3.144 1.00 0.00 O ATOM 1653 CB ASN A 814 2.624 -10.598 -5.143 1.00 0.00 C ATOM 1654 CG ASN A 814 1.763 -11.755 -5.612 1.00 0.00 C ATOM 1655 OD1 ASN A 814 2.221 -12.895 -5.681 1.00 0.00 O ATOM 1656 ND2 ASN A 814 0.509 -11.467 -5.943 1.00 0.00 N ATOM 0 H ASN A 814 3.671 -8.562 -4.338 1.00 0.00 H new ATOM 0 HA ASN A 814 0.999 -9.176 -5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 814 3.136 -10.162 -6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 814 3.394 -10.974 -4.469 1.00 0.00 H new ATOM 0 HD21 ASN A 814 -0.115 -12.205 -6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 814 0.170 -10.508 -5.871 1.00 0.00 H new ATOM 1663 N ILE A 815 1.969 -10.036 -2.040 1.00 0.00 N ATOM 1664 CA ILE A 815 1.470 -10.594 -0.784 1.00 0.00 C ATOM 1665 C ILE A 815 0.271 -9.802 -0.284 1.00 0.00 C ATOM 1666 O ILE A 815 -0.844 -10.328 -0.167 1.00 0.00 O ATOM 1667 CB ILE A 815 2.542 -10.628 0.318 1.00 0.00 C ATOM 1668 CG1 ILE A 815 3.585 -11.678 0.019 1.00 0.00 C ATOM 1669 CG2 ILE A 815 1.899 -10.941 1.650 1.00 0.00 C ATOM 1670 CD1 ILE A 815 4.990 -11.175 0.191 1.00 0.00 C ATOM 0 H ILE A 815 2.905 -9.634 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 815 1.178 -11.621 -1.001 1.00 0.00 H new ATOM 0 HB ILE A 815 3.022 -9.650 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 815 3.429 -12.535 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 815 3.454 -12.031 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 815 2.663 -10.964 2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 815 1.163 -10.173 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 815 1.407 -11.912 1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 815 5.694 -11.975 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 815 5.162 -10.337 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 815 5.136 -10.848 1.220 1.00 0.00 H new ATOM 1682 N LEU A 816 0.501 -8.536 0.023 1.00 0.00 N ATOM 1683 CA LEU A 816 -0.566 -7.680 0.456 1.00 0.00 C ATOM 1684 C LEU A 816 -1.608 -7.618 -0.654 1.00 0.00 C ATOM 1685 O LEU A 816 -2.766 -7.873 -0.401 1.00 0.00 O ATOM 1686 CB LEU A 816 0.005 -6.304 0.836 1.00 0.00 C ATOM 1687 CG LEU A 816 -0.952 -5.177 1.229 1.00 0.00 C ATOM 1688 CD1 LEU A 816 -0.648 -3.975 0.369 1.00 0.00 C ATOM 1689 CD2 LEU A 816 -2.408 -5.583 1.120 1.00 0.00 C ATOM 0 H LEU A 816 1.417 -8.089 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 816 -1.058 -8.067 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 816 0.693 -6.454 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 816 0.597 -5.951 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 816 -0.796 -4.934 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 816 -1.320 -3.159 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 816 0.384 -3.663 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 816 -0.787 -4.234 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 816 -3.042 -4.745 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 816 -2.631 -5.867 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 816 -2.600 -6.429 1.779 1.00 0.00 H new ATOM 1701 N GLU A 817 -1.192 -7.357 -1.892 1.00 0.00 N ATOM 1702 CA GLU A 817 -2.151 -7.285 -2.998 1.00 0.00 C ATOM 1703 C GLU A 817 -3.173 -8.420 -2.887 1.00 0.00 C ATOM 1704 O GLU A 817 -4.334 -8.251 -3.253 1.00 0.00 O ATOM 1705 CB GLU A 817 -1.440 -7.339 -4.345 1.00 0.00 C ATOM 1706 CG GLU A 817 -2.372 -7.158 -5.530 1.00 0.00 C ATOM 1707 CD GLU A 817 -1.636 -6.820 -6.810 1.00 0.00 C ATOM 1708 OE1 GLU A 817 -0.414 -7.068 -6.877 1.00 0.00 O ATOM 1709 OE2 GLU A 817 -2.284 -6.310 -7.750 1.00 0.00 O ATOM 0 H GLU A 817 -0.220 -7.195 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 817 -2.675 -6.331 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 817 -0.674 -6.564 -4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 817 -0.928 -8.297 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 817 -2.947 -8.072 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 817 -3.086 -6.365 -5.307 1.00 0.00 H new ATOM 1716 N LYS A 818 -2.729 -9.581 -2.392 1.00 0.00 N ATOM 1717 CA LYS A 818 -3.634 -10.706 -2.169 1.00 0.00 C ATOM 1718 C LYS A 818 -4.630 -10.306 -1.099 1.00 0.00 C ATOM 1719 O LYS A 818 -5.836 -10.245 -1.339 1.00 0.00 O ATOM 1720 CB LYS A 818 -2.878 -11.941 -1.696 1.00 0.00 C ATOM 1721 CG LYS A 818 -2.655 -12.985 -2.766 1.00 0.00 C ATOM 1722 CD LYS A 818 -1.188 -13.088 -3.107 1.00 0.00 C ATOM 1723 CE LYS A 818 -0.846 -14.469 -3.626 1.00 0.00 C ATOM 1724 NZ LYS A 818 0.531 -14.530 -4.189 1.00 0.00 N ATOM 0 H LYS A 818 -1.757 -9.762 -2.141 1.00 0.00 H new ATOM 0 HA LYS A 818 -4.132 -10.949 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 818 -1.911 -11.631 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 818 -3.428 -12.395 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 818 -3.023 -13.951 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 818 -3.225 -12.727 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 818 -0.932 -12.340 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 818 -0.589 -12.870 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 818 -0.939 -15.193 -2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 818 -1.564 -14.755 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 0.773 -15.517 -4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 0.576 -13.962 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 1.207 -14.153 -3.494 1.00 0.00 H new ATOM 1738 N PHE A 819 -4.102 -10.061 0.101 1.00 0.00 N ATOM 1739 CA PHE A 819 -4.936 -9.602 1.214 1.00 0.00 C ATOM 1740 C PHE A 819 -5.840 -8.485 0.707 1.00 0.00 C ATOM 1741 O PHE A 819 -7.063 -8.540 0.822 1.00 0.00 O ATOM 1742 CB PHE A 819 -4.059 -9.083 2.358 1.00 0.00 C ATOM 1743 CG PHE A 819 -4.812 -8.255 3.361 1.00 0.00 C ATOM 1744 CD1 PHE A 819 -4.932 -6.878 3.203 1.00 0.00 C ATOM 1745 CD2 PHE A 819 -5.405 -8.853 4.459 1.00 0.00 C ATOM 1746 CE1 PHE A 819 -5.629 -6.124 4.120 1.00 0.00 C ATOM 1747 CE2 PHE A 819 -6.103 -8.101 5.381 1.00 0.00 C ATOM 1748 CZ PHE A 819 -6.216 -6.737 5.209 1.00 0.00 C ATOM 0 H PHE A 819 -3.113 -10.171 0.326 1.00 0.00 H new ATOM 0 HA PHE A 819 -5.535 -10.430 1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 819 -3.602 -9.931 2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 819 -3.248 -8.486 1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 819 -4.474 -6.396 2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 819 -5.320 -9.921 4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 819 -5.716 -5.056 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 819 -6.560 -8.579 6.235 1.00 0.00 H new ATOM 0 HZ PHE A 819 -6.765 -6.147 5.928 1.00 0.00 H new ATOM 1758 N PHE A 820 -5.185 -7.462 0.180 1.00 0.00 N ATOM 1759 CA PHE A 820 -5.830 -6.314 -0.427 1.00 0.00 C ATOM 1760 C PHE A 820 -6.980 -6.772 -1.310 1.00 0.00 C ATOM 1761 O PHE A 820 -8.071 -6.209 -1.270 1.00 0.00 O ATOM 1762 CB PHE A 820 -4.784 -5.560 -1.251 1.00 0.00 C ATOM 1763 CG PHE A 820 -5.319 -4.738 -2.380 1.00 0.00 C ATOM 1764 CD1 PHE A 820 -5.738 -3.457 -2.146 1.00 0.00 C ATOM 1765 CD2 PHE A 820 -5.379 -5.235 -3.670 1.00 0.00 C ATOM 1766 CE1 PHE A 820 -6.214 -2.668 -3.159 1.00 0.00 C ATOM 1767 CE2 PHE A 820 -5.858 -4.450 -4.704 1.00 0.00 C ATOM 1768 CZ PHE A 820 -6.277 -3.160 -4.446 1.00 0.00 C ATOM 0 H PHE A 820 -4.167 -7.408 0.163 1.00 0.00 H new ATOM 0 HA PHE A 820 -6.238 -5.656 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 820 -4.224 -4.906 -0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 820 -4.076 -6.283 -1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 820 -5.693 -3.060 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 820 -5.049 -6.244 -3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 820 -6.540 -1.660 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 820 -5.904 -4.845 -5.708 1.00 0.00 H new ATOM 0 HZ PHE A 820 -6.652 -2.540 -5.247 1.00 0.00 H new ATOM 1778 N PHE A 821 -6.720 -7.821 -2.089 1.00 0.00 N ATOM 1779 CA PHE A 821 -7.714 -8.372 -2.995 1.00 0.00 C ATOM 1780 C PHE A 821 -8.927 -8.885 -2.244 1.00 0.00 C ATOM 1781 O PHE A 821 -10.047 -8.794 -2.731 1.00 0.00 O ATOM 1782 CB PHE A 821 -7.095 -9.447 -3.878 1.00 0.00 C ATOM 1783 CG PHE A 821 -6.912 -9.006 -5.310 1.00 0.00 C ATOM 1784 CD1 PHE A 821 -6.744 -7.662 -5.623 1.00 0.00 C ATOM 1785 CD2 PHE A 821 -6.915 -9.929 -6.344 1.00 0.00 C ATOM 1786 CE1 PHE A 821 -6.585 -7.251 -6.915 1.00 0.00 C ATOM 1787 CE2 PHE A 821 -6.752 -9.517 -7.656 1.00 0.00 C ATOM 1788 CZ PHE A 821 -6.587 -8.173 -7.941 1.00 0.00 C ATOM 0 H PHE A 821 -5.823 -8.305 -2.107 1.00 0.00 H new ATOM 0 HA PHE A 821 -8.064 -7.570 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 821 -6.127 -9.734 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 821 -7.727 -10.335 -3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 821 -6.739 -6.930 -4.829 1.00 0.00 H new ATOM 0 HD2 PHE A 821 -7.046 -10.978 -6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 821 -6.457 -6.201 -7.134 1.00 0.00 H new ATOM 0 HE2 PHE A 821 -6.754 -10.243 -8.455 1.00 0.00 H new ATOM 0 HZ PHE A 821 -6.460 -7.847 -8.963 1.00 0.00 H new ATOM 1798 N SER A 822 -8.709 -9.387 -1.043 1.00 0.00 N ATOM 1799 CA SER A 822 -9.797 -9.893 -0.229 1.00 0.00 C ATOM 1800 C SER A 822 -10.546 -8.727 0.390 1.00 0.00 C ATOM 1801 O SER A 822 -11.740 -8.814 0.646 1.00 0.00 O ATOM 1802 CB SER A 822 -9.266 -10.823 0.859 1.00 0.00 C ATOM 1803 OG SER A 822 -10.318 -11.313 1.671 1.00 0.00 O ATOM 0 H SER A 822 -7.788 -9.455 -0.610 1.00 0.00 H new ATOM 0 HA SER A 822 -10.478 -10.465 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 822 -8.737 -11.659 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 822 -8.544 -10.289 1.477 1.00 0.00 H new ATOM 0 HG SER A 822 -9.951 -11.907 2.359 1.00 0.00 H new ATOM 1809 N LYS A 823 -9.828 -7.628 0.605 1.00 0.00 N ATOM 1810 CA LYS A 823 -10.407 -6.425 1.187 1.00 0.00 C ATOM 1811 C LYS A 823 -11.412 -5.802 0.236 1.00 0.00 C ATOM 1812 O LYS A 823 -12.578 -5.627 0.572 1.00 0.00 O ATOM 1813 CB LYS A 823 -9.309 -5.407 1.494 1.00 0.00 C ATOM 1814 CG LYS A 823 -8.468 -5.746 2.714 1.00 0.00 C ATOM 1815 CD LYS A 823 -9.306 -5.875 3.974 1.00 0.00 C ATOM 1816 CE LYS A 823 -9.485 -4.532 4.656 1.00 0.00 C ATOM 1817 NZ LYS A 823 -10.159 -4.665 5.977 1.00 0.00 N ATOM 0 H LYS A 823 -8.836 -7.548 0.382 1.00 0.00 H new ATOM 0 HA LYS A 823 -10.914 -6.705 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 823 -8.654 -5.324 0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 823 -9.767 -4.429 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 823 -7.936 -6.681 2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 823 -7.714 -4.972 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 823 -10.282 -6.291 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 823 -8.829 -6.574 4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 823 -8.511 -4.061 4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 823 -10.071 -3.874 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 -10.262 -3.725 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 -11.099 -5.091 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 -9.587 -5.272 6.599 1.00 0.00 H new ATOM 1831 N ILE A 824 -10.930 -5.459 -0.949 1.00 0.00 N ATOM 1832 CA ILE A 824 -11.755 -4.859 -1.987 1.00 0.00 C ATOM 1833 C ILE A 824 -12.923 -5.757 -2.349 1.00 0.00 C ATOM 1834 O ILE A 824 -14.080 -5.359 -2.281 1.00 0.00 O ATOM 1835 CB ILE A 824 -10.931 -4.610 -3.239 1.00 0.00 C ATOM 1836 CG1 ILE A 824 -10.011 -5.807 -3.515 1.00 0.00 C ATOM 1837 CG2 ILE A 824 -10.164 -3.322 -3.078 1.00 0.00 C ATOM 1838 CD1 ILE A 824 -8.643 -5.453 -4.000 1.00 0.00 C ATOM 0 H ILE A 824 -9.955 -5.589 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 824 -12.136 -3.916 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 824 -11.584 -4.507 -4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 824 -9.916 -6.391 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 824 -10.488 -6.449 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 824 -9.570 -3.138 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 824 -10.863 -2.499 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 824 -9.504 -3.397 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 824 -8.069 -6.364 -4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 824 -8.721 -4.897 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 824 -8.140 -4.839 -3.253 1.00 0.00 H new ATOM 1850 N LYS A 825 -12.586 -6.970 -2.750 1.00 0.00 N ATOM 1851 CA LYS A 825 -13.568 -7.972 -3.126 1.00 0.00 C ATOM 1852 C LYS A 825 -14.644 -8.079 -2.058 1.00 0.00 C ATOM 1853 O LYS A 825 -15.819 -8.294 -2.355 1.00 0.00 O ATOM 1854 CB LYS A 825 -12.865 -9.308 -3.307 1.00 0.00 C ATOM 1855 CG LYS A 825 -12.007 -9.374 -4.553 1.00 0.00 C ATOM 1856 CD LYS A 825 -12.809 -9.789 -5.776 1.00 0.00 C ATOM 1857 CE LYS A 825 -13.428 -11.153 -5.584 1.00 0.00 C ATOM 1858 NZ LYS A 825 -14.322 -11.529 -6.714 1.00 0.00 N ATOM 0 H LYS A 825 -11.620 -7.289 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 825 -14.046 -7.684 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 825 -12.241 -9.502 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 825 -13.612 -10.100 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 825 -11.552 -8.400 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 825 -11.193 -10.082 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 825 -13.592 -9.055 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 825 -12.161 -9.800 -6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 825 -12.638 -11.898 -5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 825 -13.996 -11.165 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 825 -14.724 -12.472 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 825 -15.091 -10.834 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 825 -13.776 -11.544 -7.599 1.00 0.00 H new ATOM 1872 N GLU A 826 -14.222 -7.925 -0.810 1.00 0.00 N ATOM 1873 CA GLU A 826 -15.138 -7.970 0.319 1.00 0.00 C ATOM 1874 C GLU A 826 -15.863 -6.640 0.425 1.00 0.00 C ATOM 1875 O GLU A 826 -17.040 -6.578 0.784 1.00 0.00 O ATOM 1876 CB GLU A 826 -14.367 -8.264 1.606 1.00 0.00 C ATOM 1877 CG GLU A 826 -14.842 -7.467 2.807 1.00 0.00 C ATOM 1878 CD GLU A 826 -14.084 -7.810 4.074 1.00 0.00 C ATOM 1879 OE1 GLU A 826 -14.519 -8.732 4.795 1.00 0.00 O ATOM 1880 OE2 GLU A 826 -13.054 -7.157 4.345 1.00 0.00 O ATOM 0 H GLU A 826 -13.247 -7.767 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 826 -15.868 -8.765 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 826 -14.451 -9.327 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 826 -13.310 -8.056 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 826 -14.731 -6.403 2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 826 -15.905 -7.652 2.963 1.00 0.00 H new ATOM 1887 N ALA A 827 -15.137 -5.576 0.103 1.00 0.00 N ATOM 1888 CA ALA A 827 -15.685 -4.235 0.135 1.00 0.00 C ATOM 1889 C ALA A 827 -16.373 -3.930 -1.189 1.00 0.00 C ATOM 1890 O ALA A 827 -16.725 -2.785 -1.477 1.00 0.00 O ATOM 1891 CB ALA A 827 -14.602 -3.211 0.445 1.00 0.00 C ATOM 0 H ALA A 827 -14.160 -5.622 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 827 -16.425 -4.174 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 827 -15.040 -2.213 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 827 -14.160 -3.431 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 827 -13.830 -3.255 -0.323 1.00 0.00 H new ATOM 1897 N GLY A 828 -16.558 -4.983 -1.988 1.00 0.00 N ATOM 1898 CA GLY A 828 -17.194 -4.851 -3.284 1.00 0.00 C ATOM 1899 C GLY A 828 -16.470 -3.884 -4.194 1.00 0.00 C ATOM 1900 O GLY A 828 -16.957 -3.562 -5.278 1.00 0.00 O ATOM 0 H GLY A 828 -16.273 -5.934 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 828 -17.240 -5.829 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 828 -18.222 -4.515 -3.147 1.00 0.00 H new ATOM 1904 N LEU A 829 -15.294 -3.440 -3.770 1.00 0.00 N ATOM 1905 CA LEU A 829 -14.515 -2.493 -4.550 1.00 0.00 C ATOM 1906 C LEU A 829 -14.101 -3.094 -5.888 1.00 0.00 C ATOM 1907 O LEU A 829 -14.795 -2.948 -6.894 1.00 0.00 O ATOM 1908 CB LEU A 829 -13.265 -2.068 -3.797 1.00 0.00 C ATOM 1909 CG LEU A 829 -13.449 -1.563 -2.375 1.00 0.00 C ATOM 1910 CD1 LEU A 829 -12.159 -0.978 -1.893 1.00 0.00 C ATOM 1911 CD2 LEU A 829 -14.485 -0.484 -2.271 1.00 0.00 C ATOM 0 H LEU A 829 -14.861 -3.721 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 829 -15.148 -1.623 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -12.583 -2.918 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -12.774 -1.284 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 829 -13.770 -2.417 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -12.283 -0.613 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -11.383 -1.743 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -11.870 -0.151 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -14.573 -0.163 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -14.191 0.364 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -15.446 -0.868 -2.615 1.00 0.00 H new ATOM 1923 N ILE A 830 -12.940 -3.749 -5.866 1.00 0.00 N ATOM 1924 CA ILE A 830 -12.352 -4.414 -7.012 1.00 0.00 C ATOM 1925 C ILE A 830 -13.371 -4.809 -8.080 1.00 0.00 C ATOM 1926 O ILE A 830 -14.459 -5.303 -7.779 1.00 0.00 O ATOM 1927 CB ILE A 830 -11.565 -5.638 -6.516 1.00 0.00 C ATOM 1928 CG1 ILE A 830 -10.130 -5.627 -7.007 1.00 0.00 C ATOM 1929 CG2 ILE A 830 -12.237 -6.927 -6.900 1.00 0.00 C ATOM 1930 CD1 ILE A 830 -9.399 -4.332 -6.785 1.00 0.00 C ATOM 0 H ILE A 830 -12.372 -3.829 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 830 -11.686 -3.706 -7.504 1.00 0.00 H new ATOM 0 HB ILE A 830 -11.550 -5.573 -5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 830 -9.583 -6.427 -6.508 1.00 0.00 H new ATOM 0 HG13 ILE A 830 -10.124 -5.854 -8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 830 -11.649 -7.768 -6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 830 -13.235 -6.962 -6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 830 -12.315 -6.987 -7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 830 -8.382 -4.418 -7.167 1.00 0.00 H new ATOM 0 HD12 ILE A 830 -9.916 -3.528 -7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 830 -9.368 -4.110 -5.718 1.00 0.00 H new ATOM 1942 N ASP A 831 -12.995 -4.580 -9.333 1.00 0.00 N ATOM 1943 CA ASP A 831 -13.845 -4.902 -10.469 1.00 0.00 C ATOM 1944 C ASP A 831 -13.008 -5.456 -11.617 1.00 0.00 C ATOM 1945 O ASP A 831 -13.545 -5.912 -12.627 1.00 0.00 O ATOM 1946 CB ASP A 831 -14.612 -3.659 -10.927 1.00 0.00 C ATOM 1947 CG ASP A 831 -15.630 -3.970 -12.008 1.00 0.00 C ATOM 1948 OD1 ASP A 831 -16.786 -4.288 -11.659 1.00 0.00 O ATOM 1949 OD2 ASP A 831 -15.271 -3.893 -13.202 1.00 0.00 O ATOM 0 H ASP A 831 -12.097 -4.168 -9.587 1.00 0.00 H new ATOM 0 HA ASP A 831 -14.562 -5.663 -10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 831 -15.120 -3.214 -10.071 1.00 0.00 H new ATOM 0 HB3 ASP A 831 -13.906 -2.917 -11.300 1.00 0.00 H new