USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 864 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 732 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 755 SER OG : rot 130:sc= -0.759 USER MOD Set 2.1: A 710 SER OG : rot -6:sc= 0.322 USER MOD Set 2.2: A 719 HIS : no HD1:sc= -0.392 X(o=-0.07,f=0.32) USER MOD Set 3.1: A 690 HIS : no HD1:sc= -1.94! C(o=-0.74!,f=-0.42!) USER MOD Set 3.2: A 694 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 668 TYR OH : rot 124:sc= -0.664 USER MOD Single : A 669 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 671 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 678 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 681 GLN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 682 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 683 THR OG1 : rot 81:sc= 0.59 USER MOD Single : A 685 ASN : amide:sc= 0.355 K(o=0.35,f=-1.3) USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 689 SER OG : rot 180:sc= 0 USER MOD Single : A 692 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 695 TYR OH : rot 180:sc= 0 USER MOD Single : A 712 LYS NZ :NH3+ 135:sc= -0.994 (180deg=-4.81!) USER MOD Single : A 714 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 718 LYS NZ :NH3+ -147:sc= -0.105 (180deg=-0.681) USER MOD Single : A 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 730 HIS : no HE2:sc= -0.273 K(o=-0.27,f=-2.1) USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 739 SER OG : rot 180:sc= 0 USER MOD Single : A 746 TYR OH : rot 180:sc= 0 USER MOD Single : A 747 TYR OH : rot 180:sc= -0.0623 USER MOD Single : A 748 GLN : amide:sc= -0.084 K(o=-0.084,f=-1.5!) USER MOD Single : A 749 CYS SG : rot 180:sc= 0 USER MOD Single : A 750 HIS : no HE2:sc= 0.36 K(o=0.36,f=-2.5!) USER MOD Single : A 751 SER OG : rot 180:sc= 0 USER MOD Single : A 753 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 758 GLN : amide:sc= -0.27 K(o=-0.27,f=-2!) USER MOD Single : A 761 THR OG1 : rot 170:sc= -0.0837 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD Single : A 764 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0341) USER MOD Single : A 765 TYR OH : rot 180:sc= 0 USER MOD Single : A 767 TYR OH : rot -166:sc= 0.114 USER MOD Single : A 768 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 668 -6.743 0.657 11.677 1.00 0.00 N ATOM 146 CA TYR A 668 -6.742 0.366 10.244 1.00 0.00 C ATOM 147 C TYR A 668 -6.344 -1.084 9.968 1.00 0.00 C ATOM 148 O TYR A 668 -6.662 -1.624 8.907 1.00 0.00 O ATOM 149 CB TYR A 668 -5.791 1.306 9.505 1.00 0.00 C ATOM 150 CG TYR A 668 -6.373 2.675 9.250 1.00 0.00 C ATOM 151 CD1 TYR A 668 -6.758 3.496 10.303 1.00 0.00 C ATOM 152 CD2 TYR A 668 -6.539 3.148 7.955 1.00 0.00 C ATOM 153 CE1 TYR A 668 -7.289 4.750 10.073 1.00 0.00 C ATOM 154 CE2 TYR A 668 -7.069 4.400 7.717 1.00 0.00 C ATOM 155 CZ TYR A 668 -7.441 5.198 8.778 1.00 0.00 C ATOM 156 OH TYR A 668 -7.968 6.446 8.543 1.00 0.00 O ATOM 0 HA TYR A 668 -7.758 0.521 9.880 1.00 0.00 H new ATOM 0 HB2 TYR A 668 -4.874 1.412 10.085 1.00 0.00 H new ATOM 0 HB3 TYR A 668 -5.515 0.854 8.552 1.00 0.00 H new ATOM 0 HD1 TYR A 668 -6.640 3.148 11.318 1.00 0.00 H new ATOM 0 HD2 TYR A 668 -6.249 2.526 7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 668 -7.583 5.376 10.902 1.00 0.00 H new ATOM 0 HE2 TYR A 668 -7.192 4.753 6.704 1.00 0.00 H new ATOM 0 HH TYR A 668 -7.341 6.969 8.001 1.00 0.00 H new ATOM 166 N THR A 669 -5.653 -1.713 10.924 1.00 0.00 N ATOM 167 CA THR A 669 -5.221 -3.104 10.771 1.00 0.00 C ATOM 168 C THR A 669 -6.415 -4.054 10.672 1.00 0.00 C ATOM 169 O THR A 669 -6.300 -5.149 10.124 1.00 0.00 O ATOM 170 CB THR A 669 -4.318 -3.520 11.936 1.00 0.00 C ATOM 171 OG1 THR A 669 -4.777 -2.965 13.152 1.00 0.00 O ATOM 172 CG2 THR A 669 -2.875 -3.103 11.749 1.00 0.00 C ATOM 0 H THR A 669 -5.382 -1.282 11.808 1.00 0.00 H new ATOM 0 HA THR A 669 -4.656 -3.170 9.841 1.00 0.00 H new ATOM 0 HB THR A 669 -4.363 -4.609 11.964 1.00 0.00 H new ATOM 0 HG1 THR A 669 -4.187 -3.245 13.883 1.00 0.00 H new ATOM 0 HG21 THR A 669 -2.288 -3.427 12.608 1.00 0.00 H new ATOM 0 HG22 THR A 669 -2.478 -3.563 10.844 1.00 0.00 H new ATOM 0 HG23 THR A 669 -2.818 -2.018 11.660 1.00 0.00 H new ATOM 180 N ALA A 670 -7.561 -3.625 11.202 1.00 0.00 N ATOM 181 CA ALA A 670 -8.776 -4.433 11.167 1.00 0.00 C ATOM 182 C ALA A 670 -9.341 -4.545 9.745 1.00 0.00 C ATOM 183 O ALA A 670 -10.088 -5.474 9.442 1.00 0.00 O ATOM 184 CB ALA A 670 -9.818 -3.843 12.103 1.00 0.00 C ATOM 0 H ALA A 670 -7.671 -2.721 11.661 1.00 0.00 H new ATOM 0 HA ALA A 670 -8.520 -5.439 11.499 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -10.722 -4.452 12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -9.426 -3.828 13.120 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -10.054 -2.826 11.790 1.00 0.00 H new ATOM 190 N TYR A 671 -8.987 -3.590 8.880 1.00 0.00 N ATOM 191 CA TYR A 671 -9.467 -3.585 7.497 1.00 0.00 C ATOM 192 C TYR A 671 -9.005 -4.833 6.738 1.00 0.00 C ATOM 193 O TYR A 671 -7.898 -5.329 6.957 1.00 0.00 O ATOM 194 CB TYR A 671 -8.977 -2.334 6.764 1.00 0.00 C ATOM 195 CG TYR A 671 -9.727 -1.068 7.130 1.00 0.00 C ATOM 196 CD1 TYR A 671 -9.561 -0.469 8.375 1.00 0.00 C ATOM 197 CD2 TYR A 671 -10.593 -0.469 6.225 1.00 0.00 C ATOM 198 CE1 TYR A 671 -10.238 0.689 8.705 1.00 0.00 C ATOM 199 CE2 TYR A 671 -11.274 0.689 6.548 1.00 0.00 C ATOM 200 CZ TYR A 671 -11.092 1.263 7.788 1.00 0.00 C ATOM 201 OH TYR A 671 -11.767 2.419 8.111 1.00 0.00 O ATOM 0 H TYR A 671 -8.370 -2.812 9.114 1.00 0.00 H new ATOM 0 HA TYR A 671 -10.556 -3.584 7.531 1.00 0.00 H new ATOM 0 HB2 TYR A 671 -7.918 -2.191 6.979 1.00 0.00 H new ATOM 0 HB3 TYR A 671 -9.065 -2.498 5.690 1.00 0.00 H new ATOM 0 HD1 TYR A 671 -8.892 -0.917 9.095 1.00 0.00 H new ATOM 0 HD2 TYR A 671 -10.737 -0.916 5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 671 -10.099 1.142 9.676 1.00 0.00 H new ATOM 0 HE2 TYR A 671 -11.945 1.142 5.833 1.00 0.00 H new ATOM 0 HH TYR A 671 -12.327 2.693 7.355 1.00 0.00 H new ATOM 211 N PRO A 672 -9.858 -5.357 5.830 1.00 0.00 N ATOM 212 CA PRO A 672 -9.542 -6.555 5.033 1.00 0.00 C ATOM 213 C PRO A 672 -8.290 -6.395 4.163 1.00 0.00 C ATOM 214 O PRO A 672 -7.706 -7.389 3.729 1.00 0.00 O ATOM 215 CB PRO A 672 -10.780 -6.738 4.144 1.00 0.00 C ATOM 216 CG PRO A 672 -11.867 -5.991 4.835 1.00 0.00 C ATOM 217 CD PRO A 672 -11.200 -4.831 5.516 1.00 0.00 C ATOM 0 HA PRO A 672 -9.324 -7.406 5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 672 -10.607 -6.346 3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 672 -11.034 -7.792 4.034 1.00 0.00 H new ATOM 0 HG2 PRO A 672 -12.618 -5.647 4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 672 -12.379 -6.626 5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 672 -11.149 -3.957 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 672 -11.736 -4.529 6.416 1.00 0.00 H new ATOM 225 N TRP A 673 -7.877 -5.149 3.911 1.00 0.00 N ATOM 226 CA TRP A 673 -6.688 -4.884 3.096 1.00 0.00 C ATOM 227 C TRP A 673 -5.486 -4.483 3.959 1.00 0.00 C ATOM 228 O TRP A 673 -4.491 -3.961 3.447 1.00 0.00 O ATOM 229 CB TRP A 673 -6.973 -3.790 2.054 1.00 0.00 C ATOM 230 CG TRP A 673 -7.773 -2.633 2.579 1.00 0.00 C ATOM 231 CD1 TRP A 673 -9.116 -2.430 2.432 1.00 0.00 C ATOM 232 CD2 TRP A 673 -7.279 -1.515 3.326 1.00 0.00 C ATOM 233 NE1 TRP A 673 -9.486 -1.258 3.046 1.00 0.00 N ATOM 234 CE2 TRP A 673 -8.377 -0.677 3.600 1.00 0.00 C ATOM 235 CE3 TRP A 673 -6.016 -1.142 3.792 1.00 0.00 C ATOM 236 CZ2 TRP A 673 -8.248 0.509 4.317 1.00 0.00 C ATOM 237 CZ3 TRP A 673 -5.889 0.035 4.503 1.00 0.00 C ATOM 238 CH2 TRP A 673 -7.000 0.849 4.760 1.00 0.00 C ATOM 0 H TRP A 673 -8.346 -4.312 4.258 1.00 0.00 H new ATOM 0 HA TRP A 673 -6.439 -5.811 2.580 1.00 0.00 H new ATOM 0 HB2 TRP A 673 -6.025 -3.416 1.668 1.00 0.00 H new ATOM 0 HB3 TRP A 673 -7.506 -4.234 1.214 1.00 0.00 H new ATOM 0 HD1 TRP A 673 -9.789 -3.094 1.909 1.00 0.00 H new ATOM 0 HE1 TRP A 673 -10.433 -0.882 3.083 1.00 0.00 H new ATOM 0 HE3 TRP A 673 -5.154 -1.763 3.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 -9.103 1.138 4.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 -4.917 0.333 4.867 1.00 0.00 H new ATOM 0 HH2 TRP A 673 -6.868 1.763 5.319 1.00 0.00 H new ATOM 249 N PHE A 674 -5.580 -4.726 5.268 1.00 0.00 N ATOM 250 CA PHE A 674 -4.505 -4.388 6.193 1.00 0.00 C ATOM 251 C PHE A 674 -4.035 -5.620 6.965 1.00 0.00 C ATOM 252 O PHE A 674 -4.761 -6.145 7.809 1.00 0.00 O ATOM 253 CB PHE A 674 -4.986 -3.312 7.168 1.00 0.00 C ATOM 254 CG PHE A 674 -3.916 -2.342 7.584 1.00 0.00 C ATOM 255 CD1 PHE A 674 -2.759 -2.785 8.205 1.00 0.00 C ATOM 256 CD2 PHE A 674 -4.073 -0.983 7.362 1.00 0.00 C ATOM 257 CE1 PHE A 674 -1.779 -1.892 8.593 1.00 0.00 C ATOM 258 CE2 PHE A 674 -3.098 -0.086 7.747 1.00 0.00 C ATOM 259 CZ PHE A 674 -1.949 -0.541 8.363 1.00 0.00 C ATOM 0 H PHE A 674 -6.393 -5.157 5.709 1.00 0.00 H new ATOM 0 HA PHE A 674 -3.661 -4.009 5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 674 -5.805 -2.759 6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 674 -5.389 -3.796 8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 674 -2.622 -3.841 8.388 1.00 0.00 H new ATOM 0 HD2 PHE A 674 -4.970 -0.622 6.881 1.00 0.00 H new ATOM 0 HE1 PHE A 674 -0.881 -2.250 9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -3.233 0.970 7.567 1.00 0.00 H new ATOM 0 HZ PHE A 674 -1.184 0.159 8.665 1.00 0.00 H new ATOM 269 N ALA A 675 -2.813 -6.072 6.678 1.00 0.00 N ATOM 270 CA ALA A 675 -2.244 -7.238 7.352 1.00 0.00 C ATOM 271 C ALA A 675 -0.939 -6.878 8.059 1.00 0.00 C ATOM 272 O ALA A 675 0.147 -7.015 7.491 1.00 0.00 O ATOM 273 CB ALA A 675 -2.017 -8.371 6.359 1.00 0.00 C ATOM 0 H ALA A 675 -2.199 -5.647 5.983 1.00 0.00 H new ATOM 0 HA ALA A 675 -2.956 -7.574 8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 675 -1.593 -9.230 6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 675 -2.967 -8.653 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 675 -1.328 -8.041 5.582 1.00 0.00 H new ATOM 279 N GLY A 676 -1.055 -6.415 9.304 1.00 0.00 N ATOM 280 CA GLY A 676 0.121 -6.039 10.072 1.00 0.00 C ATOM 281 C GLY A 676 1.036 -7.218 10.350 1.00 0.00 C ATOM 282 O GLY A 676 0.567 -8.321 10.630 1.00 0.00 O ATOM 0 H GLY A 676 -1.942 -6.294 9.793 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.675 -5.273 9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -0.193 -5.596 11.017 1.00 0.00 H new ATOM 286 N ASN A 677 2.345 -6.974 10.274 1.00 0.00 N ATOM 287 CA ASN A 677 3.348 -8.012 10.518 1.00 0.00 C ATOM 288 C ASN A 677 3.235 -9.137 9.486 1.00 0.00 C ATOM 289 O ASN A 677 2.486 -10.097 9.677 1.00 0.00 O ATOM 290 CB ASN A 677 3.200 -8.569 11.939 1.00 0.00 C ATOM 291 CG ASN A 677 4.489 -8.480 12.732 1.00 0.00 C ATOM 292 OD1 ASN A 677 5.187 -9.476 12.913 1.00 0.00 O ATOM 293 ND2 ASN A 677 4.812 -7.283 13.210 1.00 0.00 N ATOM 0 H ASN A 677 2.737 -6.061 10.044 1.00 0.00 H new ATOM 0 HA ASN A 677 4.336 -7.563 10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 677 2.417 -8.020 12.462 1.00 0.00 H new ATOM 0 HB3 ASN A 677 2.880 -9.610 11.887 1.00 0.00 H new ATOM 0 HD21 ASN A 677 5.668 -7.164 13.751 1.00 0.00 H new ATOM 0 HD22 ASN A 677 4.203 -6.483 13.036 1.00 0.00 H new ATOM 300 N MET A 678 3.982 -9.005 8.390 1.00 0.00 N ATOM 301 CA MET A 678 3.964 -10.002 7.321 1.00 0.00 C ATOM 302 C MET A 678 5.374 -10.299 6.812 1.00 0.00 C ATOM 303 O MET A 678 6.270 -9.456 6.901 1.00 0.00 O ATOM 304 CB MET A 678 3.082 -9.518 6.169 1.00 0.00 C ATOM 305 CG MET A 678 2.324 -10.635 5.474 1.00 0.00 C ATOM 306 SD MET A 678 1.218 -10.025 4.188 1.00 0.00 S ATOM 307 CE MET A 678 -0.169 -11.140 4.379 1.00 0.00 C ATOM 0 H MET A 678 4.607 -8.217 8.220 1.00 0.00 H new ATOM 0 HA MET A 678 3.553 -10.925 7.729 1.00 0.00 H new ATOM 0 HB2 MET A 678 2.368 -8.788 6.551 1.00 0.00 H new ATOM 0 HB3 MET A 678 3.704 -9.002 5.438 1.00 0.00 H new ATOM 0 HG2 MET A 678 3.036 -11.334 5.035 1.00 0.00 H new ATOM 0 HG3 MET A 678 1.746 -11.191 6.212 1.00 0.00 H new ATOM 0 HE1 MET A 678 -0.940 -10.890 3.650 1.00 0.00 H new ATOM 0 HE2 MET A 678 0.164 -12.165 4.218 1.00 0.00 H new ATOM 0 HE3 MET A 678 -0.576 -11.045 5.386 1.00 0.00 H new ATOM 317 N GLU A 679 5.560 -11.506 6.280 1.00 0.00 N ATOM 318 CA GLU A 679 6.856 -11.930 5.755 1.00 0.00 C ATOM 319 C GLU A 679 6.939 -11.735 4.241 1.00 0.00 C ATOM 320 O GLU A 679 5.920 -11.542 3.573 1.00 0.00 O ATOM 321 CB GLU A 679 7.111 -13.402 6.094 1.00 0.00 C ATOM 322 CG GLU A 679 6.928 -13.741 7.566 1.00 0.00 C ATOM 323 CD GLU A 679 7.132 -15.218 7.847 1.00 0.00 C ATOM 324 OE1 GLU A 679 6.198 -16.007 7.591 1.00 0.00 O ATOM 325 OE2 GLU A 679 8.230 -15.585 8.316 1.00 0.00 O ATOM 0 H GLU A 679 4.826 -12.210 6.201 1.00 0.00 H new ATOM 0 HA GLU A 679 7.619 -11.308 6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 679 6.437 -14.022 5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 679 8.127 -13.662 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 679 7.633 -13.160 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 679 5.927 -13.448 7.882 1.00 0.00 H new ATOM 332 N ARG A 680 8.161 -11.795 3.705 1.00 0.00 N ATOM 333 CA ARG A 680 8.381 -11.636 2.268 1.00 0.00 C ATOM 334 C ARG A 680 7.803 -12.825 1.504 1.00 0.00 C ATOM 335 O ARG A 680 7.043 -12.647 0.552 1.00 0.00 O ATOM 336 CB ARG A 680 9.876 -11.497 1.960 1.00 0.00 C ATOM 337 CG ARG A 680 10.258 -10.147 1.373 1.00 0.00 C ATOM 338 CD ARG A 680 10.123 -10.131 -0.143 1.00 0.00 C ATOM 339 NE ARG A 680 9.888 -8.782 -0.660 1.00 0.00 N ATOM 340 CZ ARG A 680 10.846 -7.863 -0.821 1.00 0.00 C ATOM 341 NH1 ARG A 680 12.111 -8.141 -0.509 1.00 0.00 N ATOM 342 NH2 ARG A 680 10.537 -6.661 -1.297 1.00 0.00 N ATOM 0 H ARG A 680 9.012 -11.952 4.245 1.00 0.00 H new ATOM 0 HA ARG A 680 7.872 -10.727 1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 680 10.443 -11.658 2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 680 10.168 -12.282 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 680 9.624 -9.371 1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 680 11.285 -9.908 1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 680 11.029 -10.538 -0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 680 9.300 -10.781 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 680 8.933 -8.527 -0.913 1.00 0.00 H new ATOM 0 HH11 ARG A 680 12.356 -9.061 -0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 680 12.835 -7.433 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 680 9.571 -6.441 -1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 680 11.266 -5.959 -1.421 1.00 0.00 H new ATOM 356 N GLN A 681 8.169 -14.037 1.932 1.00 0.00 N ATOM 357 CA GLN A 681 7.683 -15.260 1.292 1.00 0.00 C ATOM 358 C GLN A 681 6.161 -15.356 1.370 1.00 0.00 C ATOM 359 O GLN A 681 5.518 -15.873 0.457 1.00 0.00 O ATOM 360 CB GLN A 681 8.315 -16.499 1.939 1.00 0.00 C ATOM 361 CG GLN A 681 8.006 -16.653 3.425 1.00 0.00 C ATOM 362 CD GLN A 681 8.495 -17.974 3.990 1.00 0.00 C ATOM 363 OE1 GLN A 681 9.656 -18.347 3.809 1.00 0.00 O ATOM 364 NE2 GLN A 681 7.614 -18.692 4.679 1.00 0.00 N ATOM 0 H GLN A 681 8.799 -14.196 2.718 1.00 0.00 H new ATOM 0 HA GLN A 681 7.974 -15.220 0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 681 7.967 -17.388 1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 681 9.396 -16.453 1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 681 8.469 -15.834 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 681 6.930 -16.573 3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 681 6.663 -18.347 4.806 1.00 0.00 H new ATOM 0 HE22 GLN A 681 7.889 -19.588 5.081 1.00 0.00 H new ATOM 373 N GLN A 682 5.592 -14.857 2.468 1.00 0.00 N ATOM 374 CA GLN A 682 4.150 -14.887 2.669 1.00 0.00 C ATOM 375 C GLN A 682 3.444 -14.023 1.635 1.00 0.00 C ATOM 376 O GLN A 682 2.622 -14.512 0.860 1.00 0.00 O ATOM 377 CB GLN A 682 3.817 -14.386 4.071 1.00 0.00 C ATOM 378 CG GLN A 682 2.830 -15.265 4.819 1.00 0.00 C ATOM 379 CD GLN A 682 2.537 -14.756 6.218 1.00 0.00 C ATOM 380 OE1 GLN A 682 3.354 -14.060 6.822 1.00 0.00 O ATOM 381 NE2 GLN A 682 1.366 -15.101 6.742 1.00 0.00 N ATOM 0 H GLN A 682 6.113 -14.427 3.232 1.00 0.00 H new ATOM 0 HA GLN A 682 3.805 -15.915 2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 682 4.738 -14.316 4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 682 3.409 -13.378 3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 682 1.899 -15.321 4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 682 3.227 -16.278 4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 682 0.718 -15.679 6.207 1.00 0.00 H new ATOM 0 HE22 GLN A 682 1.115 -14.788 7.680 1.00 0.00 H new ATOM 390 N THR A 683 3.770 -12.731 1.636 1.00 0.00 N ATOM 391 CA THR A 683 3.170 -11.781 0.697 1.00 0.00 C ATOM 392 C THR A 683 3.254 -12.302 -0.738 1.00 0.00 C ATOM 393 O THR A 683 2.307 -12.163 -1.514 1.00 0.00 O ATOM 394 CB THR A 683 3.861 -10.415 0.790 1.00 0.00 C ATOM 395 OG1 THR A 683 3.901 -9.956 2.130 1.00 0.00 O ATOM 396 CG2 THR A 683 3.188 -9.342 -0.045 1.00 0.00 C ATOM 0 H THR A 683 4.447 -12.317 2.277 1.00 0.00 H new ATOM 0 HA THR A 683 2.120 -11.668 0.968 1.00 0.00 H new ATOM 0 HB THR A 683 4.866 -10.578 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 683 4.641 -10.391 2.603 1.00 0.00 H new ATOM 0 HG21 THR A 683 3.728 -8.402 0.067 1.00 0.00 H new ATOM 0 HG22 THR A 683 3.193 -9.640 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 683 2.159 -9.212 0.291 1.00 0.00 H new ATOM 404 N ASP A 684 4.398 -12.896 -1.085 1.00 0.00 N ATOM 405 CA ASP A 684 4.609 -13.436 -2.427 1.00 0.00 C ATOM 406 C ASP A 684 3.738 -14.668 -2.671 1.00 0.00 C ATOM 407 O ASP A 684 3.120 -14.795 -3.727 1.00 0.00 O ATOM 408 CB ASP A 684 6.086 -13.787 -2.647 1.00 0.00 C ATOM 409 CG ASP A 684 6.462 -13.853 -4.119 1.00 0.00 C ATOM 410 OD1 ASP A 684 5.845 -13.127 -4.928 1.00 0.00 O ATOM 411 OD2 ASP A 684 7.378 -14.630 -4.462 1.00 0.00 O ATOM 0 H ASP A 684 5.191 -13.014 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 684 4.321 -12.664 -3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 684 6.709 -13.044 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 684 6.300 -14.747 -2.178 1.00 0.00 H new ATOM 416 N ASN A 685 3.695 -15.575 -1.691 1.00 0.00 N ATOM 417 CA ASN A 685 2.897 -16.797 -1.805 1.00 0.00 C ATOM 418 C ASN A 685 1.402 -16.481 -1.839 1.00 0.00 C ATOM 419 O ASN A 685 0.636 -17.124 -2.561 1.00 0.00 O ATOM 420 CB ASN A 685 3.195 -17.748 -0.640 1.00 0.00 C ATOM 421 CG ASN A 685 4.332 -18.704 -0.946 1.00 0.00 C ATOM 422 OD1 ASN A 685 4.197 -19.601 -1.778 1.00 0.00 O ATOM 423 ND2 ASN A 685 5.462 -18.517 -0.274 1.00 0.00 N ATOM 0 H ASN A 685 4.203 -15.486 -0.811 1.00 0.00 H new ATOM 0 HA ASN A 685 3.171 -17.281 -2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 685 3.444 -17.164 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 685 2.298 -18.320 -0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 685 6.261 -19.129 -0.439 1.00 0.00 H new ATOM 0 HD22 ASN A 685 5.531 -17.761 0.407 1.00 0.00 H new ATOM 430 N LEU A 686 0.992 -15.490 -1.054 1.00 0.00 N ATOM 431 CA LEU A 686 -0.410 -15.088 -0.985 1.00 0.00 C ATOM 432 C LEU A 686 -0.836 -14.317 -2.239 1.00 0.00 C ATOM 433 O LEU A 686 -1.994 -14.389 -2.654 1.00 0.00 O ATOM 434 CB LEU A 686 -0.653 -14.232 0.263 1.00 0.00 C ATOM 435 CG LEU A 686 -2.048 -14.361 0.880 1.00 0.00 C ATOM 436 CD1 LEU A 686 -1.982 -14.191 2.392 1.00 0.00 C ATOM 437 CD2 LEU A 686 -3.001 -13.343 0.268 1.00 0.00 C ATOM 0 H LEU A 686 1.613 -14.948 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 686 -1.013 -15.994 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 686 0.087 -14.500 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 686 -0.482 -13.187 0.006 1.00 0.00 H new ATOM 0 HG LEU A 686 -2.428 -15.359 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 686 -2.983 -14.286 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 686 -1.336 -14.959 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 686 -1.580 -13.206 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 686 -3.987 -13.451 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 686 -2.625 -12.336 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 686 -3.073 -13.512 -0.806 1.00 0.00 H new ATOM 449 N LEU A 687 0.098 -13.572 -2.833 1.00 0.00 N ATOM 450 CA LEU A 687 -0.199 -12.782 -4.028 1.00 0.00 C ATOM 451 C LEU A 687 0.020 -13.578 -5.319 1.00 0.00 C ATOM 452 O LEU A 687 -0.660 -13.337 -6.318 1.00 0.00 O ATOM 453 CB LEU A 687 0.648 -11.507 -4.055 1.00 0.00 C ATOM 454 CG LEU A 687 0.148 -10.366 -3.163 1.00 0.00 C ATOM 455 CD1 LEU A 687 1.023 -9.133 -3.331 1.00 0.00 C ATOM 456 CD2 LEU A 687 -1.306 -10.034 -3.479 1.00 0.00 C ATOM 0 H LEU A 687 1.062 -13.499 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 687 -1.255 -12.516 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 687 1.665 -11.760 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 687 0.699 -11.147 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 687 0.208 -10.693 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 687 0.652 -8.334 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 687 2.049 -9.374 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 687 0.996 -8.806 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 687 -1.642 -9.221 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 687 -1.391 -9.729 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 687 -1.926 -10.914 -3.306 1.00 0.00 H new ATOM 468 N LYS A 688 0.968 -14.522 -5.307 1.00 0.00 N ATOM 469 CA LYS A 688 1.248 -15.333 -6.498 1.00 0.00 C ATOM 470 C LYS A 688 -0.006 -16.066 -6.974 1.00 0.00 C ATOM 471 O LYS A 688 -0.169 -16.316 -8.168 1.00 0.00 O ATOM 472 CB LYS A 688 2.378 -16.339 -6.239 1.00 0.00 C ATOM 473 CG LYS A 688 2.047 -17.401 -5.198 1.00 0.00 C ATOM 474 CD LYS A 688 3.052 -18.546 -5.229 1.00 0.00 C ATOM 475 CE LYS A 688 4.435 -18.091 -4.781 1.00 0.00 C ATOM 476 NZ LYS A 688 5.517 -18.640 -5.648 1.00 0.00 N ATOM 0 H LYS A 688 1.548 -14.742 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 688 1.571 -14.649 -7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 688 2.631 -16.833 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 688 3.266 -15.795 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 688 2.039 -16.949 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 688 1.045 -17.790 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 688 2.706 -19.352 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 688 3.111 -18.952 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 688 4.479 -17.002 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 688 4.603 -18.405 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 6.440 -18.304 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 5.493 -19.679 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 5.373 -18.320 -6.627 1.00 0.00 H new ATOM 490 N SER A 689 -0.893 -16.399 -6.035 1.00 0.00 N ATOM 491 CA SER A 689 -2.137 -17.092 -6.363 1.00 0.00 C ATOM 492 C SER A 689 -3.289 -16.097 -6.564 1.00 0.00 C ATOM 493 O SER A 689 -4.452 -16.423 -6.320 1.00 0.00 O ATOM 494 CB SER A 689 -2.487 -18.099 -5.259 1.00 0.00 C ATOM 495 OG SER A 689 -1.733 -19.292 -5.398 1.00 0.00 O ATOM 0 H SER A 689 -0.772 -16.200 -5.042 1.00 0.00 H new ATOM 0 HA SER A 689 -1.991 -17.629 -7.300 1.00 0.00 H new ATOM 0 HB2 SER A 689 -2.294 -17.655 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 689 -3.551 -18.331 -5.298 1.00 0.00 H new ATOM 0 HG SER A 689 -1.973 -19.916 -4.682 1.00 0.00 H new ATOM 501 N HIS A 690 -2.956 -14.884 -7.017 1.00 0.00 N ATOM 502 CA HIS A 690 -3.953 -13.843 -7.256 1.00 0.00 C ATOM 503 C HIS A 690 -3.791 -13.245 -8.656 1.00 0.00 C ATOM 504 O HIS A 690 -2.809 -13.523 -9.348 1.00 0.00 O ATOM 505 CB HIS A 690 -3.829 -12.742 -6.197 1.00 0.00 C ATOM 506 CG HIS A 690 -4.917 -12.768 -5.166 1.00 0.00 C ATOM 507 ND1 HIS A 690 -6.233 -12.469 -5.448 1.00 0.00 N ATOM 508 CD2 HIS A 690 -4.874 -13.044 -3.840 1.00 0.00 C ATOM 509 CE1 HIS A 690 -6.950 -12.555 -4.341 1.00 0.00 C ATOM 510 NE2 HIS A 690 -6.149 -12.905 -3.352 1.00 0.00 N ATOM 0 H HIS A 690 -1.998 -14.601 -7.225 1.00 0.00 H new ATOM 0 HA HIS A 690 -4.943 -14.295 -7.188 1.00 0.00 H new ATOM 0 HB2 HIS A 690 -2.865 -12.839 -5.697 1.00 0.00 H new ATOM 0 HB3 HIS A 690 -3.835 -11.771 -6.693 1.00 0.00 H new ATOM 0 HD2 HIS A 690 -3.998 -13.322 -3.272 1.00 0.00 H new ATOM 0 HE1 HIS A 690 -8.011 -12.370 -4.260 1.00 0.00 H new ATOM 0 HE2 HIS A 690 -6.432 -13.049 -2.383 1.00 0.00 H new ATOM 519 N ALA A 691 -4.758 -12.421 -9.066 1.00 0.00 N ATOM 520 CA ALA A 691 -4.722 -11.783 -10.383 1.00 0.00 C ATOM 521 C ALA A 691 -4.316 -10.314 -10.282 1.00 0.00 C ATOM 522 O ALA A 691 -4.059 -9.804 -9.190 1.00 0.00 O ATOM 523 CB ALA A 691 -6.081 -11.906 -11.064 1.00 0.00 C ATOM 0 H ALA A 691 -5.575 -12.180 -8.505 1.00 0.00 H new ATOM 0 HA ALA A 691 -3.971 -12.297 -10.983 1.00 0.00 H new ATOM 0 HB1 ALA A 691 -6.042 -11.428 -12.043 1.00 0.00 H new ATOM 0 HB2 ALA A 691 -6.334 -12.959 -11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 691 -6.840 -11.419 -10.452 1.00 0.00 H new ATOM 529 N SER A 692 -4.267 -9.636 -11.430 1.00 0.00 N ATOM 530 CA SER A 692 -3.902 -8.221 -11.474 1.00 0.00 C ATOM 531 C SER A 692 -4.949 -7.372 -10.760 1.00 0.00 C ATOM 532 O SER A 692 -6.151 -7.565 -10.949 1.00 0.00 O ATOM 533 CB SER A 692 -3.756 -7.747 -12.920 1.00 0.00 C ATOM 534 OG SER A 692 -4.799 -8.257 -13.734 1.00 0.00 O ATOM 0 H SER A 692 -4.476 -10.045 -12.341 1.00 0.00 H new ATOM 0 HA SER A 692 -2.945 -8.106 -10.964 1.00 0.00 H new ATOM 0 HB2 SER A 692 -3.766 -6.657 -12.951 1.00 0.00 H new ATOM 0 HB3 SER A 692 -2.792 -8.068 -13.315 1.00 0.00 H new ATOM 0 HG SER A 692 -4.683 -7.937 -14.653 1.00 0.00 H new ATOM 540 N GLY A 693 -4.482 -6.433 -9.939 1.00 0.00 N ATOM 541 CA GLY A 693 -5.392 -5.568 -9.206 1.00 0.00 C ATOM 542 C GLY A 693 -5.391 -5.843 -7.710 1.00 0.00 C ATOM 543 O GLY A 693 -5.862 -5.016 -6.923 1.00 0.00 O ATOM 0 H GLY A 693 -3.492 -6.256 -9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 693 -5.116 -4.528 -9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 693 -6.402 -5.699 -9.594 1.00 0.00 H new ATOM 547 N THR A 694 -4.864 -7.004 -7.314 1.00 0.00 N ATOM 548 CA THR A 694 -4.809 -7.380 -5.903 1.00 0.00 C ATOM 549 C THR A 694 -3.757 -6.554 -5.164 1.00 0.00 C ATOM 550 O THR A 694 -2.631 -6.395 -5.643 1.00 0.00 O ATOM 551 CB THR A 694 -4.503 -8.873 -5.753 1.00 0.00 C ATOM 552 OG1 THR A 694 -5.216 -9.637 -6.714 1.00 0.00 O ATOM 553 CG2 THR A 694 -4.853 -9.415 -4.385 1.00 0.00 C ATOM 0 H THR A 694 -4.471 -7.697 -7.950 1.00 0.00 H new ATOM 0 HA THR A 694 -5.785 -7.177 -5.462 1.00 0.00 H new ATOM 0 HB THR A 694 -3.427 -8.963 -5.902 1.00 0.00 H new ATOM 0 HG1 THR A 694 -4.718 -9.649 -7.558 1.00 0.00 H new ATOM 0 HG21 THR A 694 -4.613 -10.477 -4.342 1.00 0.00 H new ATOM 0 HG22 THR A 694 -4.281 -8.883 -3.625 1.00 0.00 H new ATOM 0 HG23 THR A 694 -5.918 -9.276 -4.200 1.00 0.00 H new ATOM 561 N TYR A 695 -4.137 -6.027 -4.000 1.00 0.00 N ATOM 562 CA TYR A 695 -3.235 -5.208 -3.193 1.00 0.00 C ATOM 563 C TYR A 695 -3.322 -5.575 -1.709 1.00 0.00 C ATOM 564 O TYR A 695 -4.274 -6.225 -1.274 1.00 0.00 O ATOM 565 CB TYR A 695 -3.564 -3.723 -3.386 1.00 0.00 C ATOM 566 CG TYR A 695 -4.932 -3.329 -2.866 1.00 0.00 C ATOM 567 CD1 TYR A 695 -6.088 -3.677 -3.556 1.00 0.00 C ATOM 568 CD2 TYR A 695 -5.065 -2.612 -1.683 1.00 0.00 C ATOM 569 CE1 TYR A 695 -7.335 -3.321 -3.082 1.00 0.00 C ATOM 570 CE2 TYR A 695 -6.310 -2.253 -1.204 1.00 0.00 C ATOM 571 CZ TYR A 695 -7.442 -2.610 -1.907 1.00 0.00 C ATOM 572 OH TYR A 695 -8.684 -2.255 -1.430 1.00 0.00 O ATOM 0 H TYR A 695 -5.065 -6.153 -3.595 1.00 0.00 H new ATOM 0 HA TYR A 695 -2.216 -5.401 -3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 695 -2.807 -3.124 -2.881 1.00 0.00 H new ATOM 0 HB3 TYR A 695 -3.505 -3.482 -4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 695 -6.009 -4.235 -4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 695 -4.181 -2.331 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 695 -8.223 -3.599 -3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 695 -6.397 -1.695 -0.283 1.00 0.00 H new ATOM 0 HH TYR A 695 -8.583 -1.759 -0.591 1.00 0.00 H new ATOM 582 N LEU A 696 -2.318 -5.148 -0.938 1.00 0.00 N ATOM 583 CA LEU A 696 -2.273 -5.424 0.497 1.00 0.00 C ATOM 584 C LEU A 696 -1.233 -4.546 1.194 1.00 0.00 C ATOM 585 O LEU A 696 -0.245 -4.138 0.584 1.00 0.00 O ATOM 586 CB LEU A 696 -1.954 -6.903 0.748 1.00 0.00 C ATOM 587 CG LEU A 696 -0.580 -7.369 0.253 1.00 0.00 C ATOM 588 CD1 LEU A 696 0.462 -7.251 1.357 1.00 0.00 C ATOM 589 CD2 LEU A 696 -0.656 -8.802 -0.255 1.00 0.00 C ATOM 0 H LEU A 696 -1.525 -4.609 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 696 -3.254 -5.193 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -2.021 -7.096 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -2.721 -7.510 0.266 1.00 0.00 H new ATOM 0 HG LEU A 696 -0.278 -6.723 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 696 1.429 -7.587 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 696 0.538 -6.211 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 696 0.166 -7.870 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 696 0.328 -9.117 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -0.983 -9.457 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -1.367 -8.859 -1.079 1.00 0.00 H new ATOM 601 N ILE A 697 -1.462 -4.269 2.478 1.00 0.00 N ATOM 602 CA ILE A 697 -0.544 -3.447 3.265 1.00 0.00 C ATOM 603 C ILE A 697 -0.024 -4.214 4.480 1.00 0.00 C ATOM 604 O ILE A 697 -0.787 -4.884 5.177 1.00 0.00 O ATOM 605 CB ILE A 697 -1.211 -2.136 3.741 1.00 0.00 C ATOM 606 CG1 ILE A 697 -1.928 -1.444 2.575 1.00 0.00 C ATOM 607 CG2 ILE A 697 -0.174 -1.203 4.359 1.00 0.00 C ATOM 608 CD1 ILE A 697 -2.628 -0.162 2.970 1.00 0.00 C ATOM 0 H ILE A 697 -2.276 -4.602 2.995 1.00 0.00 H new ATOM 0 HA ILE A 697 0.290 -3.196 2.610 1.00 0.00 H new ATOM 0 HB ILE A 697 -1.951 -2.383 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 697 -1.202 -1.226 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 697 -2.659 -2.131 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 697 -0.661 -0.285 4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 697 0.293 -1.693 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 697 0.588 -0.963 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 697 -3.113 0.272 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 697 -3.378 -0.377 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 697 -1.898 0.543 3.368 1.00 0.00 H new ATOM 620 N ARG A 698 1.281 -4.105 4.722 1.00 0.00 N ATOM 621 CA ARG A 698 1.926 -4.781 5.848 1.00 0.00 C ATOM 622 C ARG A 698 2.664 -3.783 6.743 1.00 0.00 C ATOM 623 O ARG A 698 3.014 -2.684 6.307 1.00 0.00 O ATOM 624 CB ARG A 698 2.900 -5.849 5.335 1.00 0.00 C ATOM 625 CG ARG A 698 4.034 -5.289 4.483 1.00 0.00 C ATOM 626 CD ARG A 698 4.122 -5.989 3.135 1.00 0.00 C ATOM 627 NE ARG A 698 5.503 -6.105 2.667 1.00 0.00 N ATOM 628 CZ ARG A 698 6.352 -7.056 3.070 1.00 0.00 C ATOM 629 NH1 ARG A 698 5.976 -7.959 3.973 1.00 0.00 N ATOM 630 NH2 ARG A 698 7.584 -7.096 2.575 1.00 0.00 N ATOM 0 H ARG A 698 1.917 -3.551 4.149 1.00 0.00 H new ATOM 0 HA ARG A 698 1.150 -5.261 6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 698 3.326 -6.379 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 698 2.345 -6.582 4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 698 3.881 -4.221 4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 698 4.979 -5.402 5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 698 3.681 -6.983 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 698 3.536 -5.437 2.401 1.00 0.00 H new ATOM 0 HE ARG A 698 5.839 -5.418 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 698 5.034 -7.929 4.363 1.00 0.00 H new ATOM 0 HH12 ARG A 698 6.630 -8.681 4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 698 7.881 -6.402 1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 698 8.233 -7.821 2.881 1.00 0.00 H new ATOM 644 N GLU A 699 2.898 -4.180 7.995 1.00 0.00 N ATOM 645 CA GLU A 699 3.596 -3.332 8.961 1.00 0.00 C ATOM 646 C GLU A 699 5.036 -3.800 9.165 1.00 0.00 C ATOM 647 O GLU A 699 5.316 -5.002 9.162 1.00 0.00 O ATOM 648 CB GLU A 699 2.854 -3.325 10.303 1.00 0.00 C ATOM 649 CG GLU A 699 3.285 -2.196 11.234 1.00 0.00 C ATOM 650 CD GLU A 699 2.271 -1.892 12.330 1.00 0.00 C ATOM 651 OE1 GLU A 699 1.188 -2.516 12.342 1.00 0.00 O ATOM 652 OE2 GLU A 699 2.565 -1.024 13.177 1.00 0.00 O ATOM 0 H GLU A 699 2.613 -5.087 8.364 1.00 0.00 H new ATOM 0 HA GLU A 699 3.617 -2.318 8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 699 1.783 -3.242 10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.017 -4.279 10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 699 4.238 -2.459 11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 699 3.453 -1.294 10.645 1.00 0.00 H new ATOM 659 N ARG A 700 5.945 -2.841 9.345 1.00 0.00 N ATOM 660 CA ARG A 700 7.358 -3.143 9.554 1.00 0.00 C ATOM 661 C ARG A 700 8.005 -2.113 10.485 1.00 0.00 C ATOM 662 O ARG A 700 7.835 -0.907 10.297 1.00 0.00 O ATOM 663 CB ARG A 700 8.094 -3.174 8.211 1.00 0.00 C ATOM 664 CG ARG A 700 9.104 -4.303 8.099 1.00 0.00 C ATOM 665 CD ARG A 700 8.825 -5.189 6.893 1.00 0.00 C ATOM 666 NE ARG A 700 10.054 -5.697 6.285 1.00 0.00 N ATOM 667 CZ ARG A 700 10.136 -6.845 5.607 1.00 0.00 C ATOM 668 NH1 ARG A 700 9.060 -7.612 5.437 1.00 0.00 N ATOM 669 NH2 ARG A 700 11.299 -7.225 5.091 1.00 0.00 N ATOM 0 H ARG A 700 5.725 -1.845 9.350 1.00 0.00 H new ATOM 0 HA ARG A 700 7.432 -4.123 10.024 1.00 0.00 H new ATOM 0 HB2 ARG A 700 7.364 -3.270 7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 700 8.606 -2.223 8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 700 10.108 -3.887 8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 700 9.079 -4.905 9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 700 8.199 -6.028 7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 700 8.262 -4.623 6.151 1.00 0.00 H new ATOM 0 HE ARG A 700 10.902 -5.140 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 700 8.162 -7.325 5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 700 9.134 -8.487 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 700 12.126 -6.641 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 700 11.365 -8.101 4.573 1.00 0.00 H new ATOM 683 N PRO A 701 8.755 -2.579 11.506 1.00 0.00 N ATOM 684 CA PRO A 701 9.425 -1.693 12.471 1.00 0.00 C ATOM 685 C PRO A 701 10.487 -0.808 11.816 1.00 0.00 C ATOM 686 O PRO A 701 11.523 -1.299 11.364 1.00 0.00 O ATOM 687 CB PRO A 701 10.074 -2.663 13.467 1.00 0.00 C ATOM 688 CG PRO A 701 10.177 -3.959 12.738 1.00 0.00 C ATOM 689 CD PRO A 701 9.004 -4.001 11.803 1.00 0.00 C ATOM 0 HA PRO A 701 8.723 -0.998 12.932 1.00 0.00 H new ATOM 0 HB2 PRO A 701 11.056 -2.308 13.780 1.00 0.00 H new ATOM 0 HB3 PRO A 701 9.470 -2.765 14.368 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.116 -4.024 12.189 1.00 0.00 H new ATOM 0 HG3 PRO A 701 10.154 -4.800 13.431 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.230 -4.567 10.899 1.00 0.00 H new ATOM 0 HD3 PRO A 701 8.137 -4.473 12.266 1.00 0.00 H new ATOM 697 N ALA A 702 10.220 0.499 11.771 1.00 0.00 N ATOM 698 CA ALA A 702 11.150 1.459 11.173 1.00 0.00 C ATOM 699 C ALA A 702 10.766 2.899 11.525 1.00 0.00 C ATOM 700 O ALA A 702 9.745 3.137 12.171 1.00 0.00 O ATOM 701 CB ALA A 702 11.199 1.278 9.660 1.00 0.00 C ATOM 0 H ALA A 702 9.367 0.917 12.142 1.00 0.00 H new ATOM 0 HA ALA A 702 12.141 1.266 11.584 1.00 0.00 H new ATOM 0 HB1 ALA A 702 11.894 1.999 9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 702 11.532 0.267 9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 702 10.205 1.439 9.242 1.00 0.00 H new ATOM 707 N GLU A 703 11.591 3.855 11.091 1.00 0.00 N ATOM 708 CA GLU A 703 11.341 5.272 11.358 1.00 0.00 C ATOM 709 C GLU A 703 10.745 5.966 10.131 1.00 0.00 C ATOM 710 O GLU A 703 9.610 6.443 10.173 1.00 0.00 O ATOM 711 CB GLU A 703 12.637 5.973 11.779 1.00 0.00 C ATOM 712 CG GLU A 703 12.435 7.411 12.237 1.00 0.00 C ATOM 713 CD GLU A 703 13.742 8.163 12.401 1.00 0.00 C ATOM 714 OE1 GLU A 703 14.521 7.807 13.310 1.00 0.00 O ATOM 715 OE2 GLU A 703 13.985 9.108 11.621 1.00 0.00 O ATOM 0 H GLU A 703 12.438 3.673 10.553 1.00 0.00 H new ATOM 0 HA GLU A 703 10.620 5.338 12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 703 13.101 5.406 12.586 1.00 0.00 H new ATOM 0 HB3 GLU A 703 13.334 5.963 10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 703 11.808 7.933 11.514 1.00 0.00 H new ATOM 0 HG3 GLU A 703 11.898 7.414 13.185 1.00 0.00 H new ATOM 722 N ALA A 704 11.516 6.017 9.044 1.00 0.00 N ATOM 723 CA ALA A 704 11.063 6.653 7.805 1.00 0.00 C ATOM 724 C ALA A 704 9.867 5.911 7.212 1.00 0.00 C ATOM 725 O ALA A 704 8.873 6.530 6.823 1.00 0.00 O ATOM 726 CB ALA A 704 12.200 6.721 6.791 1.00 0.00 C ATOM 0 H ALA A 704 12.457 5.626 8.996 1.00 0.00 H new ATOM 0 HA ALA A 704 10.748 7.668 8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 704 11.844 7.197 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 704 13.023 7.302 7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 704 12.546 5.713 6.564 1.00 0.00 H new ATOM 732 N GLU A 705 9.970 4.583 7.145 1.00 0.00 N ATOM 733 CA GLU A 705 8.898 3.752 6.600 1.00 0.00 C ATOM 734 C GLU A 705 7.966 3.265 7.708 1.00 0.00 C ATOM 735 O GLU A 705 8.388 2.546 8.615 1.00 0.00 O ATOM 736 CB GLU A 705 9.483 2.556 5.843 1.00 0.00 C ATOM 737 CG GLU A 705 10.331 2.954 4.645 1.00 0.00 C ATOM 738 CD GLU A 705 11.717 2.338 4.671 1.00 0.00 C ATOM 739 OE1 GLU A 705 12.531 2.744 5.524 1.00 0.00 O ATOM 740 OE2 GLU A 705 11.990 1.457 3.831 1.00 0.00 O ATOM 0 H GLU A 705 10.786 4.060 7.462 1.00 0.00 H new ATOM 0 HA GLU A 705 8.318 4.362 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 705 10.090 1.964 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 705 8.668 1.916 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 705 9.822 2.652 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 705 10.422 4.040 4.616 1.00 0.00 H new ATOM 747 N ARG A 706 6.698 3.663 7.628 1.00 0.00 N ATOM 748 CA ARG A 706 5.703 3.268 8.625 1.00 0.00 C ATOM 749 C ARG A 706 4.966 1.998 8.197 1.00 0.00 C ATOM 750 O ARG A 706 4.741 1.100 9.012 1.00 0.00 O ATOM 751 CB ARG A 706 4.704 4.408 8.854 1.00 0.00 C ATOM 752 CG ARG A 706 4.071 4.401 10.237 1.00 0.00 C ATOM 753 CD ARG A 706 3.871 5.815 10.769 1.00 0.00 C ATOM 754 NE ARG A 706 2.466 6.105 11.063 1.00 0.00 N ATOM 755 CZ ARG A 706 2.055 7.119 11.833 1.00 0.00 C ATOM 756 NH1 ARG A 706 2.936 7.949 12.390 1.00 0.00 N ATOM 757 NH2 ARG A 706 0.757 7.306 12.048 1.00 0.00 N ATOM 0 H ARG A 706 6.335 4.258 6.884 1.00 0.00 H new ATOM 0 HA ARG A 706 6.224 3.057 9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 706 5.212 5.360 8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 706 3.916 4.344 8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 706 3.110 3.888 10.196 1.00 0.00 H new ATOM 0 HG3 ARG A 706 4.703 3.839 10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 706 4.464 5.948 11.674 1.00 0.00 H new ATOM 0 HD3 ARG A 706 4.242 6.532 10.037 1.00 0.00 H new ATOM 0 HE ARG A 706 1.757 5.496 10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 706 3.935 7.815 12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 706 2.612 8.719 12.975 1.00 0.00 H new ATOM 0 HH21 ARG A 706 0.074 6.677 11.626 1.00 0.00 H new ATOM 0 HH22 ARG A 706 0.443 8.079 12.635 1.00 0.00 H new ATOM 771 N PHE A 707 4.590 1.928 6.918 1.00 0.00 N ATOM 772 CA PHE A 707 3.876 0.766 6.388 1.00 0.00 C ATOM 773 C PHE A 707 4.340 0.437 4.968 1.00 0.00 C ATOM 774 O PHE A 707 4.885 1.294 4.270 1.00 0.00 O ATOM 775 CB PHE A 707 2.365 1.018 6.399 1.00 0.00 C ATOM 776 CG PHE A 707 1.748 0.932 7.768 1.00 0.00 C ATOM 777 CD1 PHE A 707 1.634 -0.287 8.416 1.00 0.00 C ATOM 778 CD2 PHE A 707 1.283 2.071 8.406 1.00 0.00 C ATOM 779 CE1 PHE A 707 1.068 -0.369 9.674 1.00 0.00 C ATOM 780 CE2 PHE A 707 0.717 1.995 9.663 1.00 0.00 C ATOM 781 CZ PHE A 707 0.609 0.773 10.298 1.00 0.00 C ATOM 0 H PHE A 707 4.768 2.661 6.232 1.00 0.00 H new ATOM 0 HA PHE A 707 4.100 -0.087 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 707 2.167 2.006 5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 707 1.880 0.293 5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 707 1.992 -1.184 7.932 1.00 0.00 H new ATOM 0 HD2 PHE A 707 1.364 3.029 7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 707 0.985 -1.326 10.168 1.00 0.00 H new ATOM 0 HE2 PHE A 707 0.359 2.890 10.149 1.00 0.00 H new ATOM 0 HZ PHE A 707 0.166 0.711 11.281 1.00 0.00 H new ATOM 791 N ALA A 708 4.117 -0.809 4.547 1.00 0.00 N ATOM 792 CA ALA A 708 4.512 -1.255 3.211 1.00 0.00 C ATOM 793 C ALA A 708 3.322 -1.823 2.440 1.00 0.00 C ATOM 794 O ALA A 708 2.462 -2.492 3.013 1.00 0.00 O ATOM 795 CB ALA A 708 5.624 -2.287 3.308 1.00 0.00 C ATOM 0 H ALA A 708 3.665 -1.527 5.113 1.00 0.00 H new ATOM 0 HA ALA A 708 4.881 -0.389 2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 708 5.908 -2.611 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 708 6.487 -1.846 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 708 5.274 -3.146 3.881 1.00 0.00 H new ATOM 801 N ILE A 709 3.277 -1.543 1.139 1.00 0.00 N ATOM 802 CA ILE A 709 2.189 -2.014 0.283 1.00 0.00 C ATOM 803 C ILE A 709 2.695 -2.989 -0.782 1.00 0.00 C ATOM 804 O ILE A 709 3.838 -2.895 -1.230 1.00 0.00 O ATOM 805 CB ILE A 709 1.479 -0.832 -0.412 1.00 0.00 C ATOM 806 CG1 ILE A 709 1.161 0.275 0.602 1.00 0.00 C ATOM 807 CG2 ILE A 709 0.210 -1.306 -1.106 1.00 0.00 C ATOM 808 CD1 ILE A 709 0.732 1.578 -0.039 1.00 0.00 C ATOM 0 H ILE A 709 3.983 -0.991 0.653 1.00 0.00 H new ATOM 0 HA ILE A 709 1.481 -2.533 0.929 1.00 0.00 H new ATOM 0 HB ILE A 709 2.149 -0.422 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 709 0.370 -0.070 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 709 2.042 0.455 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 709 -0.277 -0.460 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 709 0.463 -2.056 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 709 -0.466 -1.742 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 709 0.524 2.314 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 709 1.530 1.946 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 709 -0.167 1.413 -0.633 1.00 0.00 H new ATOM 820 N SER A 710 1.832 -3.922 -1.185 1.00 0.00 N ATOM 821 CA SER A 710 2.179 -4.916 -2.200 1.00 0.00 C ATOM 822 C SER A 710 1.030 -5.105 -3.190 1.00 0.00 C ATOM 823 O SER A 710 -0.071 -5.503 -2.805 1.00 0.00 O ATOM 824 CB SER A 710 2.525 -6.252 -1.538 1.00 0.00 C ATOM 825 OG SER A 710 3.594 -6.898 -2.211 1.00 0.00 O ATOM 0 H SER A 710 0.883 -4.010 -0.822 1.00 0.00 H new ATOM 0 HA SER A 710 3.050 -4.554 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 710 2.797 -6.085 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 710 1.648 -6.899 -1.539 1.00 0.00 H new ATOM 0 HG SER A 710 3.818 -6.398 -3.024 1.00 0.00 H new ATOM 831 N ILE A 711 1.290 -4.810 -4.466 1.00 0.00 N ATOM 832 CA ILE A 711 0.273 -4.938 -5.512 1.00 0.00 C ATOM 833 C ILE A 711 0.738 -5.860 -6.646 1.00 0.00 C ATOM 834 O ILE A 711 1.930 -5.938 -6.950 1.00 0.00 O ATOM 835 CB ILE A 711 -0.110 -3.557 -6.093 1.00 0.00 C ATOM 836 CG1 ILE A 711 -1.282 -3.691 -7.071 1.00 0.00 C ATOM 837 CG2 ILE A 711 1.089 -2.902 -6.771 1.00 0.00 C ATOM 838 CD1 ILE A 711 -2.112 -2.432 -7.196 1.00 0.00 C ATOM 0 H ILE A 711 2.196 -4.481 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 711 -0.605 -5.382 -5.043 1.00 0.00 H new ATOM 0 HB ILE A 711 -0.423 -2.915 -5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 711 -0.895 -3.961 -8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 711 -1.924 -4.509 -6.746 1.00 0.00 H new ATOM 0 HG21 ILE A 711 0.795 -1.932 -7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 711 1.889 -2.767 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 711 1.441 -3.539 -7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 711 -2.923 -2.600 -7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 711 -2.528 -2.172 -6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 711 -1.483 -1.615 -7.551 1.00 0.00 H new ATOM 850 N LYS A 712 -0.219 -6.559 -7.264 1.00 0.00 N ATOM 851 CA LYS A 712 0.073 -7.483 -8.361 1.00 0.00 C ATOM 852 C LYS A 712 -0.261 -6.857 -9.718 1.00 0.00 C ATOM 853 O LYS A 712 -1.361 -6.336 -9.919 1.00 0.00 O ATOM 854 CB LYS A 712 -0.714 -8.787 -8.177 1.00 0.00 C ATOM 855 CG LYS A 712 -0.493 -9.810 -9.281 1.00 0.00 C ATOM 856 CD LYS A 712 0.902 -10.420 -9.217 1.00 0.00 C ATOM 857 CE LYS A 712 0.862 -11.942 -9.310 1.00 0.00 C ATOM 858 NZ LYS A 712 -0.049 -12.423 -10.391 1.00 0.00 N ATOM 0 H LYS A 712 -1.208 -6.501 -7.020 1.00 0.00 H new ATOM 0 HA LYS A 712 1.141 -7.701 -8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -0.437 -9.234 -7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -1.777 -8.552 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -1.239 -10.600 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -0.638 -9.335 -10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 712 1.510 -10.022 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 712 1.385 -10.126 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 712 1.868 -12.319 -9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 712 0.536 -12.353 -8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 0.421 -13.177 -10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 -0.924 -12.794 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 -0.279 -11.634 -11.028 1.00 0.00 H new ATOM 872 N PHE A 713 0.694 -6.924 -10.647 1.00 0.00 N ATOM 873 CA PHE A 713 0.509 -6.376 -11.989 1.00 0.00 C ATOM 874 C PHE A 713 1.381 -7.120 -13.000 1.00 0.00 C ATOM 875 O PHE A 713 2.584 -7.278 -12.788 1.00 0.00 O ATOM 876 CB PHE A 713 0.848 -4.882 -12.010 1.00 0.00 C ATOM 877 CG PHE A 713 0.393 -4.171 -13.256 1.00 0.00 C ATOM 878 CD1 PHE A 713 -0.910 -4.308 -13.713 1.00 0.00 C ATOM 879 CD2 PHE A 713 1.265 -3.364 -13.969 1.00 0.00 C ATOM 880 CE1 PHE A 713 -1.333 -3.655 -14.854 1.00 0.00 C ATOM 881 CE2 PHE A 713 0.848 -2.708 -15.111 1.00 0.00 C ATOM 882 CZ PHE A 713 -0.452 -2.853 -15.554 1.00 0.00 C ATOM 0 H PHE A 713 1.606 -7.354 -10.492 1.00 0.00 H new ATOM 0 HA PHE A 713 -0.537 -6.505 -12.266 1.00 0.00 H new ATOM 0 HB2 PHE A 713 0.392 -4.404 -11.143 1.00 0.00 H new ATOM 0 HB3 PHE A 713 1.927 -4.763 -11.909 1.00 0.00 H new ATOM 0 HD1 PHE A 713 -1.602 -4.934 -13.169 1.00 0.00 H new ATOM 0 HD2 PHE A 713 2.283 -3.246 -13.628 1.00 0.00 H new ATOM 0 HE1 PHE A 713 -2.350 -3.771 -15.198 1.00 0.00 H new ATOM 0 HE2 PHE A 713 1.538 -2.082 -15.657 1.00 0.00 H new ATOM 0 HZ PHE A 713 -0.780 -2.340 -16.446 1.00 0.00 H new ATOM 892 N ASN A 714 0.764 -7.579 -14.092 1.00 0.00 N ATOM 893 CA ASN A 714 1.478 -8.315 -15.137 1.00 0.00 C ATOM 894 C ASN A 714 2.180 -9.545 -14.551 1.00 0.00 C ATOM 895 O ASN A 714 3.319 -9.852 -14.901 1.00 0.00 O ATOM 896 CB ASN A 714 2.490 -7.403 -15.841 1.00 0.00 C ATOM 897 CG ASN A 714 1.952 -6.836 -17.142 1.00 0.00 C ATOM 898 OD1 ASN A 714 0.858 -6.274 -17.182 1.00 0.00 O ATOM 899 ND2 ASN A 714 2.721 -6.981 -18.218 1.00 0.00 N ATOM 0 H ASN A 714 -0.231 -7.453 -14.275 1.00 0.00 H new ATOM 0 HA ASN A 714 0.750 -8.656 -15.873 1.00 0.00 H new ATOM 0 HB2 ASN A 714 2.761 -6.583 -15.175 1.00 0.00 H new ATOM 0 HB3 ASN A 714 3.402 -7.965 -16.042 1.00 0.00 H new ATOM 0 HD21 ASN A 714 2.410 -6.620 -19.120 1.00 0.00 H new ATOM 0 HD22 ASN A 714 3.622 -7.454 -18.141 1.00 0.00 H new ATOM 906 N ASP A 715 1.478 -10.242 -13.650 1.00 0.00 N ATOM 907 CA ASP A 715 2.010 -11.438 -12.997 1.00 0.00 C ATOM 908 C ASP A 715 3.319 -11.138 -12.259 1.00 0.00 C ATOM 909 O ASP A 715 4.219 -11.976 -12.203 1.00 0.00 O ATOM 910 CB ASP A 715 2.219 -12.556 -14.021 1.00 0.00 C ATOM 911 CG ASP A 715 1.710 -13.892 -13.515 1.00 0.00 C ATOM 912 OD1 ASP A 715 0.512 -14.184 -13.716 1.00 0.00 O ATOM 913 OD2 ASP A 715 2.504 -14.642 -12.910 1.00 0.00 O ATOM 0 H ASP A 715 0.533 -9.994 -13.357 1.00 0.00 H new ATOM 0 HA ASP A 715 1.279 -11.768 -12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 715 1.705 -12.300 -14.948 1.00 0.00 H new ATOM 0 HB3 ASP A 715 3.280 -12.638 -14.257 1.00 0.00 H new ATOM 918 N GLU A 716 3.408 -9.938 -11.687 1.00 0.00 N ATOM 919 CA GLU A 716 4.596 -9.524 -10.948 1.00 0.00 C ATOM 920 C GLU A 716 4.200 -8.865 -9.629 1.00 0.00 C ATOM 921 O GLU A 716 3.478 -7.864 -9.620 1.00 0.00 O ATOM 922 CB GLU A 716 5.432 -8.554 -11.789 1.00 0.00 C ATOM 923 CG GLU A 716 6.910 -8.910 -11.855 1.00 0.00 C ATOM 924 CD GLU A 716 7.216 -9.946 -12.920 1.00 0.00 C ATOM 925 OE1 GLU A 716 7.377 -9.558 -14.097 1.00 0.00 O ATOM 926 OE2 GLU A 716 7.294 -11.143 -12.577 1.00 0.00 O ATOM 0 H GLU A 716 2.669 -9.236 -11.722 1.00 0.00 H new ATOM 0 HA GLU A 716 5.194 -10.409 -10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 716 5.029 -8.527 -12.802 1.00 0.00 H new ATOM 0 HB3 GLU A 716 5.328 -7.550 -11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 716 7.488 -8.008 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 716 7.232 -9.287 -10.884 1.00 0.00 H new ATOM 933 N VAL A 717 4.671 -9.431 -8.518 1.00 0.00 N ATOM 934 CA VAL A 717 4.363 -8.892 -7.196 1.00 0.00 C ATOM 935 C VAL A 717 5.266 -7.703 -6.875 1.00 0.00 C ATOM 936 O VAL A 717 6.441 -7.874 -6.541 1.00 0.00 O ATOM 937 CB VAL A 717 4.513 -9.965 -6.095 1.00 0.00 C ATOM 938 CG1 VAL A 717 4.046 -9.420 -4.752 1.00 0.00 C ATOM 939 CG2 VAL A 717 3.743 -11.229 -6.463 1.00 0.00 C ATOM 0 H VAL A 717 5.265 -10.260 -8.508 1.00 0.00 H new ATOM 0 HA VAL A 717 3.324 -8.563 -7.217 1.00 0.00 H new ATOM 0 HB VAL A 717 5.568 -10.225 -6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 717 4.159 -10.189 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 717 4.647 -8.551 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 717 2.998 -9.129 -4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 717 3.863 -11.971 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 717 2.686 -10.990 -6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 717 4.129 -11.631 -7.400 1.00 0.00 H new ATOM 949 N LYS A 718 4.710 -6.496 -6.983 1.00 0.00 N ATOM 950 CA LYS A 718 5.464 -5.272 -6.713 1.00 0.00 C ATOM 951 C LYS A 718 5.275 -4.813 -5.268 1.00 0.00 C ATOM 952 O LYS A 718 4.289 -5.168 -4.617 1.00 0.00 O ATOM 953 CB LYS A 718 5.036 -4.163 -7.680 1.00 0.00 C ATOM 954 CG LYS A 718 5.863 -4.115 -8.956 1.00 0.00 C ATOM 955 CD LYS A 718 5.810 -5.433 -9.715 1.00 0.00 C ATOM 956 CE LYS A 718 6.896 -5.508 -10.777 1.00 0.00 C ATOM 957 NZ LYS A 718 6.359 -5.276 -12.150 1.00 0.00 N ATOM 0 H LYS A 718 3.740 -6.340 -7.256 1.00 0.00 H new ATOM 0 HA LYS A 718 6.522 -5.488 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 718 3.987 -4.305 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 718 5.110 -3.201 -7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 718 5.497 -3.312 -9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 718 6.898 -3.879 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 718 5.925 -6.262 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 718 4.832 -5.545 -10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 718 7.666 -4.767 -10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 718 7.375 -6.487 -10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 6.900 -5.842 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 5.358 -5.557 -12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 6.444 -4.268 -12.390 1.00 0.00 H new ATOM 971 N HIS A 719 6.230 -4.023 -4.772 1.00 0.00 N ATOM 972 CA HIS A 719 6.178 -3.517 -3.400 1.00 0.00 C ATOM 973 C HIS A 719 6.329 -1.997 -3.365 1.00 0.00 C ATOM 974 O HIS A 719 7.168 -1.431 -4.064 1.00 0.00 O ATOM 975 CB HIS A 719 7.277 -4.166 -2.555 1.00 0.00 C ATOM 976 CG HIS A 719 7.083 -5.635 -2.346 1.00 0.00 C ATOM 977 ND1 HIS A 719 6.784 -6.188 -1.118 1.00 0.00 N ATOM 978 CD2 HIS A 719 7.140 -6.670 -3.219 1.00 0.00 C ATOM 979 CE1 HIS A 719 6.666 -7.498 -1.245 1.00 0.00 C ATOM 980 NE2 HIS A 719 6.876 -7.816 -2.509 1.00 0.00 N ATOM 0 H HIS A 719 7.048 -3.720 -5.301 1.00 0.00 H new ATOM 0 HA HIS A 719 5.203 -3.774 -2.985 1.00 0.00 H new ATOM 0 HB2 HIS A 719 8.240 -4.000 -3.037 1.00 0.00 H new ATOM 0 HB3 HIS A 719 7.317 -3.672 -1.584 1.00 0.00 H new ATOM 0 HD2 HIS A 719 7.353 -6.606 -4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 719 6.437 -8.191 -0.449 1.00 0.00 H new ATOM 0 HE2 HIS A 719 6.847 -8.759 -2.896 1.00 0.00 H new ATOM 989 N ILE A 720 5.509 -1.341 -2.541 1.00 0.00 N ATOM 990 CA ILE A 720 5.545 0.117 -2.407 1.00 0.00 C ATOM 991 C ILE A 720 5.598 0.536 -0.935 1.00 0.00 C ATOM 992 O ILE A 720 4.633 0.347 -0.193 1.00 0.00 O ATOM 993 CB ILE A 720 4.316 0.776 -3.068 1.00 0.00 C ATOM 994 CG1 ILE A 720 4.105 0.236 -4.487 1.00 0.00 C ATOM 995 CG2 ILE A 720 4.473 2.290 -3.093 1.00 0.00 C ATOM 996 CD1 ILE A 720 2.669 0.316 -4.958 1.00 0.00 C ATOM 0 H ILE A 720 4.810 -1.798 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 720 6.448 0.456 -2.914 1.00 0.00 H new ATOM 0 HB ILE A 720 3.436 0.527 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 720 4.737 0.795 -5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 720 4.434 -0.803 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 720 3.598 2.739 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 720 4.569 2.663 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 720 5.365 2.554 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 720 2.595 -0.083 -5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 720 2.034 -0.267 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 720 2.342 1.356 -4.954 1.00 0.00 H new ATOM 1008 N LYS A 721 6.731 1.106 -0.521 1.00 0.00 N ATOM 1009 CA LYS A 721 6.910 1.551 0.864 1.00 0.00 C ATOM 1010 C LYS A 721 6.225 2.898 1.112 1.00 0.00 C ATOM 1011 O LYS A 721 6.090 3.716 0.200 1.00 0.00 O ATOM 1012 CB LYS A 721 8.401 1.654 1.205 1.00 0.00 C ATOM 1013 CG LYS A 721 9.167 2.648 0.341 1.00 0.00 C ATOM 1014 CD LYS A 721 10.403 3.170 1.054 1.00 0.00 C ATOM 1015 CE LYS A 721 11.621 3.163 0.141 1.00 0.00 C ATOM 1016 NZ LYS A 721 12.873 2.844 0.883 1.00 0.00 N ATOM 0 H LYS A 721 7.538 1.271 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 721 6.444 0.808 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 721 8.505 1.942 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 721 8.856 0.669 1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 721 9.460 2.169 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 721 8.516 3.483 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 721 10.219 4.184 1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 721 10.603 2.557 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 721 11.474 2.432 -0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 721 11.721 4.137 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 13.678 2.850 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 13.028 3.556 1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 12.788 1.903 1.318 1.00 0.00 H new ATOM 1030 N VAL A 722 5.799 3.116 2.357 1.00 0.00 N ATOM 1031 CA VAL A 722 5.129 4.359 2.741 1.00 0.00 C ATOM 1032 C VAL A 722 6.034 5.217 3.625 1.00 0.00 C ATOM 1033 O VAL A 722 6.425 4.802 4.718 1.00 0.00 O ATOM 1034 CB VAL A 722 3.808 4.082 3.494 1.00 0.00 C ATOM 1035 CG1 VAL A 722 3.032 5.375 3.715 1.00 0.00 C ATOM 1036 CG2 VAL A 722 2.955 3.066 2.744 1.00 0.00 C ATOM 0 H VAL A 722 5.907 2.446 3.118 1.00 0.00 H new ATOM 0 HA VAL A 722 4.905 4.896 1.819 1.00 0.00 H new ATOM 0 HB VAL A 722 4.058 3.661 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 722 2.106 5.157 4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 722 3.635 6.065 4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 722 2.799 5.829 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 722 2.031 2.889 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 722 2.718 3.451 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 722 3.505 2.130 2.647 1.00 0.00 H new ATOM 1046 N VAL A 723 6.363 6.418 3.142 1.00 0.00 N ATOM 1047 CA VAL A 723 7.224 7.342 3.880 1.00 0.00 C ATOM 1048 C VAL A 723 6.425 8.523 4.432 1.00 0.00 C ATOM 1049 O VAL A 723 5.775 9.250 3.679 1.00 0.00 O ATOM 1050 CB VAL A 723 8.363 7.880 2.989 1.00 0.00 C ATOM 1051 CG1 VAL A 723 9.355 8.692 3.812 1.00 0.00 C ATOM 1052 CG2 VAL A 723 9.067 6.741 2.266 1.00 0.00 C ATOM 0 H VAL A 723 6.044 6.773 2.240 1.00 0.00 H new ATOM 0 HA VAL A 723 7.653 6.779 4.709 1.00 0.00 H new ATOM 0 HB VAL A 723 7.925 8.538 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 723 10.149 9.061 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 723 8.841 9.536 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 723 9.785 8.061 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 723 9.866 7.144 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 723 9.489 6.052 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 723 8.351 6.211 1.638 1.00 0.00 H new ATOM 1062 N GLU A 724 6.487 8.713 5.750 1.00 0.00 N ATOM 1063 CA GLU A 724 5.775 9.808 6.409 1.00 0.00 C ATOM 1064 C GLU A 724 6.709 10.997 6.660 1.00 0.00 C ATOM 1065 O GLU A 724 7.723 10.863 7.346 1.00 0.00 O ATOM 1066 CB GLU A 724 5.170 9.327 7.733 1.00 0.00 C ATOM 1067 CG GLU A 724 3.661 9.509 7.810 1.00 0.00 C ATOM 1068 CD GLU A 724 3.232 10.586 8.793 1.00 0.00 C ATOM 1069 OE1 GLU A 724 3.995 11.556 8.995 1.00 0.00 O ATOM 1070 OE2 GLU A 724 2.123 10.462 9.358 1.00 0.00 O ATOM 0 H GLU A 724 7.024 8.121 6.384 1.00 0.00 H new ATOM 0 HA GLU A 724 4.972 10.136 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 724 5.409 8.272 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 724 5.636 9.870 8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 724 3.282 9.760 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 724 3.203 8.563 8.097 1.00 0.00 H new ATOM 1077 N LYS A 725 6.362 12.160 6.101 1.00 0.00 N ATOM 1078 CA LYS A 725 7.173 13.366 6.268 1.00 0.00 C ATOM 1079 C LYS A 725 6.314 14.629 6.185 1.00 0.00 C ATOM 1080 O LYS A 725 5.240 14.619 5.579 1.00 0.00 O ATOM 1081 CB LYS A 725 8.271 13.413 5.201 1.00 0.00 C ATOM 1082 CG LYS A 725 9.555 14.080 5.672 1.00 0.00 C ATOM 1083 CD LYS A 725 10.287 14.753 4.519 1.00 0.00 C ATOM 1084 CE LYS A 725 11.798 14.641 4.666 1.00 0.00 C ATOM 1085 NZ LYS A 725 12.438 15.966 4.910 1.00 0.00 N ATOM 0 H LYS A 725 5.527 12.290 5.530 1.00 0.00 H new ATOM 0 HA LYS A 725 7.629 13.329 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 725 8.497 12.396 4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 725 7.894 13.946 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 725 9.323 14.819 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 725 10.205 13.336 6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 725 9.979 14.298 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 725 10.003 15.804 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 725 12.033 13.968 5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 725 12.218 14.197 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 13.466 15.843 5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 12.237 16.601 4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 12.058 16.379 5.785 1.00 0.00 H new ATOM 1099 N ASP A 726 6.798 15.717 6.798 1.00 0.00 N ATOM 1100 CA ASP A 726 6.086 17.001 6.800 1.00 0.00 C ATOM 1101 C ASP A 726 4.713 16.873 7.454 1.00 0.00 C ATOM 1102 O ASP A 726 3.764 17.558 7.066 1.00 0.00 O ATOM 1103 CB ASP A 726 5.928 17.530 5.370 1.00 0.00 C ATOM 1104 CG ASP A 726 7.257 17.873 4.728 1.00 0.00 C ATOM 1105 OD1 ASP A 726 7.926 16.951 4.217 1.00 0.00 O ATOM 1106 OD2 ASP A 726 7.631 19.064 4.734 1.00 0.00 O ATOM 0 H ASP A 726 7.685 15.733 7.302 1.00 0.00 H new ATOM 0 HA ASP A 726 6.681 17.706 7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 726 5.418 16.782 4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 726 5.294 18.417 5.382 1.00 0.00 H new ATOM 1111 N ASN A 727 4.608 15.986 8.445 1.00 0.00 N ATOM 1112 CA ASN A 727 3.348 15.758 9.145 1.00 0.00 C ATOM 1113 C ASN A 727 2.280 15.224 8.182 1.00 0.00 C ATOM 1114 O ASN A 727 1.083 15.403 8.408 1.00 0.00 O ATOM 1115 CB ASN A 727 2.867 17.051 9.810 1.00 0.00 C ATOM 1116 CG ASN A 727 2.280 16.808 11.188 1.00 0.00 C ATOM 1117 OD1 ASN A 727 1.479 15.893 11.381 1.00 0.00 O ATOM 1118 ND2 ASN A 727 2.676 17.625 12.159 1.00 0.00 N ATOM 0 H ASN A 727 5.383 15.414 8.780 1.00 0.00 H new ATOM 0 HA ASN A 727 3.517 15.009 9.918 1.00 0.00 H new ATOM 0 HB2 ASN A 727 3.702 17.747 9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 727 2.117 17.525 9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 727 2.314 17.506 13.105 1.00 0.00 H new ATOM 0 HD22 ASN A 727 3.342 18.371 11.958 1.00 0.00 H new ATOM 1125 N TRP A 728 2.727 14.563 7.108 1.00 0.00 N ATOM 1126 CA TRP A 728 1.818 13.999 6.110 1.00 0.00 C ATOM 1127 C TRP A 728 2.228 12.572 5.743 1.00 0.00 C ATOM 1128 O TRP A 728 3.341 12.137 6.052 1.00 0.00 O ATOM 1129 CB TRP A 728 1.798 14.864 4.844 1.00 0.00 C ATOM 1130 CG TRP A 728 1.351 16.279 5.072 1.00 0.00 C ATOM 1131 CD1 TRP A 728 2.031 17.416 4.739 1.00 0.00 C ATOM 1132 CD2 TRP A 728 0.124 16.708 5.674 1.00 0.00 C ATOM 1133 NE1 TRP A 728 1.304 18.524 5.099 1.00 0.00 N ATOM 1134 CE2 TRP A 728 0.129 18.116 5.674 1.00 0.00 C ATOM 1135 CE3 TRP A 728 -0.979 16.040 6.213 1.00 0.00 C ATOM 1136 CZ2 TRP A 728 -0.925 18.866 6.193 1.00 0.00 C ATOM 1137 CZ3 TRP A 728 -2.024 16.785 6.727 1.00 0.00 C ATOM 1138 CH2 TRP A 728 -1.990 18.185 6.714 1.00 0.00 C ATOM 0 H TRP A 728 3.715 14.407 6.910 1.00 0.00 H new ATOM 0 HA TRP A 728 0.820 13.980 6.547 1.00 0.00 H new ATOM 0 HB2 TRP A 728 2.798 14.876 4.410 1.00 0.00 H new ATOM 0 HB3 TRP A 728 1.138 14.400 4.111 1.00 0.00 H new ATOM 0 HD1 TRP A 728 3.000 17.440 4.262 1.00 0.00 H new ATOM 0 HE1 TRP A 728 1.592 19.493 4.961 1.00 0.00 H new ATOM 0 HE3 TRP A 728 -1.014 14.961 6.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 728 -0.901 19.946 6.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 728 -2.881 16.279 7.146 1.00 0.00 H new ATOM 0 HH2 TRP A 728 -2.822 18.738 7.124 1.00 0.00 H new ATOM 1149 N ILE A 729 1.326 11.853 5.074 1.00 0.00 N ATOM 1150 CA ILE A 729 1.591 10.478 4.653 1.00 0.00 C ATOM 1151 C ILE A 729 1.537 10.346 3.128 1.00 0.00 C ATOM 1152 O ILE A 729 0.661 10.921 2.480 1.00 0.00 O ATOM 1153 CB ILE A 729 0.584 9.493 5.293 1.00 0.00 C ATOM 1154 CG1 ILE A 729 0.993 8.044 5.008 1.00 0.00 C ATOM 1155 CG2 ILE A 729 -0.829 9.760 4.793 1.00 0.00 C ATOM 1156 CD1 ILE A 729 0.160 7.021 5.751 1.00 0.00 C ATOM 0 H ILE A 729 0.404 12.201 4.812 1.00 0.00 H new ATOM 0 HA ILE A 729 2.595 10.226 4.994 1.00 0.00 H new ATOM 0 HB ILE A 729 0.596 9.648 6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 729 0.913 7.857 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 729 2.041 7.912 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 729 -1.519 9.055 5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 729 -1.121 10.778 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 729 -0.861 9.639 3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 729 0.506 6.018 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 729 0.259 7.181 6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 729 -0.886 7.126 5.464 1.00 0.00 H new ATOM 1168 N HIS A 730 2.476 9.581 2.563 1.00 0.00 N ATOM 1169 CA HIS A 730 2.532 9.371 1.113 1.00 0.00 C ATOM 1170 C HIS A 730 3.636 8.383 0.734 1.00 0.00 C ATOM 1171 O HIS A 730 4.716 8.386 1.326 1.00 0.00 O ATOM 1172 CB HIS A 730 2.750 10.701 0.374 1.00 0.00 C ATOM 1173 CG HIS A 730 3.864 11.540 0.932 1.00 0.00 C ATOM 1174 ND1 HIS A 730 5.195 11.201 0.814 1.00 0.00 N ATOM 1175 CD2 HIS A 730 3.836 12.718 1.602 1.00 0.00 C ATOM 1176 CE1 HIS A 730 5.937 12.132 1.387 1.00 0.00 C ATOM 1177 NE2 HIS A 730 5.137 13.062 1.871 1.00 0.00 N ATOM 0 H HIS A 730 3.206 9.098 3.086 1.00 0.00 H new ATOM 0 HA HIS A 730 1.573 8.950 0.811 1.00 0.00 H new ATOM 0 HB2 HIS A 730 2.959 10.491 -0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 730 1.825 11.277 0.406 1.00 0.00 H new ATOM 0 HD1 HIS A 730 5.551 10.362 0.356 1.00 0.00 H new ATOM 0 HD2 HIS A 730 2.955 13.280 1.873 1.00 0.00 H new ATOM 0 HE1 HIS A 730 7.015 12.131 1.449 1.00 0.00 H new ATOM 1186 N ILE A 731 3.361 7.541 -0.264 1.00 0.00 N ATOM 1187 CA ILE A 731 4.336 6.553 -0.727 1.00 0.00 C ATOM 1188 C ILE A 731 5.345 7.174 -1.697 1.00 0.00 C ATOM 1189 O ILE A 731 6.497 6.741 -1.764 1.00 0.00 O ATOM 1190 CB ILE A 731 3.661 5.344 -1.414 1.00 0.00 C ATOM 1191 CG1 ILE A 731 2.704 5.802 -2.523 1.00 0.00 C ATOM 1192 CG2 ILE A 731 2.925 4.492 -0.388 1.00 0.00 C ATOM 1193 CD1 ILE A 731 2.606 4.826 -3.676 1.00 0.00 C ATOM 0 H ILE A 731 2.473 7.524 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 731 4.856 6.203 0.165 1.00 0.00 H new ATOM 0 HB ILE A 731 4.441 4.737 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 731 1.712 5.950 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 731 3.036 6.768 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 731 2.455 3.645 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 731 3.632 4.127 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 731 2.160 5.093 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 731 1.913 5.213 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 731 3.590 4.696 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 731 2.245 3.865 -3.310 1.00 0.00 H new ATOM 1205 N THR A 732 4.907 8.186 -2.447 1.00 0.00 N ATOM 1206 CA THR A 732 5.769 8.864 -3.412 1.00 0.00 C ATOM 1207 C THR A 732 6.174 10.247 -2.906 1.00 0.00 C ATOM 1208 O THR A 732 5.750 10.670 -1.829 1.00 0.00 O ATOM 1209 CB THR A 732 5.055 8.985 -4.763 1.00 0.00 C ATOM 1210 OG1 THR A 732 3.780 9.585 -4.608 1.00 0.00 O ATOM 1211 CG2 THR A 732 4.854 7.653 -5.453 1.00 0.00 C ATOM 0 H THR A 732 3.957 8.554 -2.403 1.00 0.00 H new ATOM 0 HA THR A 732 6.673 8.269 -3.538 1.00 0.00 H new ATOM 0 HB THR A 732 5.708 9.603 -5.380 1.00 0.00 H new ATOM 0 HG1 THR A 732 3.410 9.800 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 732 4.343 7.809 -6.403 1.00 0.00 H new ATOM 0 HG22 THR A 732 5.823 7.187 -5.634 1.00 0.00 H new ATOM 0 HG23 THR A 732 4.251 7.002 -4.820 1.00 0.00 H new ATOM 1219 N GLU A 733 6.997 10.950 -3.686 1.00 0.00 N ATOM 1220 CA GLU A 733 7.453 12.288 -3.309 1.00 0.00 C ATOM 1221 C GLU A 733 6.778 13.364 -4.165 1.00 0.00 C ATOM 1222 O GLU A 733 7.409 14.351 -4.553 1.00 0.00 O ATOM 1223 CB GLU A 733 8.979 12.388 -3.436 1.00 0.00 C ATOM 1224 CG GLU A 733 9.661 12.909 -2.180 1.00 0.00 C ATOM 1225 CD GLU A 733 9.924 14.402 -2.236 1.00 0.00 C ATOM 1226 OE1 GLU A 733 10.935 14.805 -2.852 1.00 0.00 O ATOM 1227 OE2 GLU A 733 9.121 15.168 -1.665 1.00 0.00 O ATOM 0 H GLU A 733 7.360 10.616 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 733 7.173 12.458 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 733 9.381 11.404 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 733 9.224 13.044 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 733 9.038 12.686 -1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 733 10.605 12.383 -2.038 1.00 0.00 H new ATOM 1234 N ALA A 734 5.490 13.173 -4.457 1.00 0.00 N ATOM 1235 CA ALA A 734 4.733 14.129 -5.264 1.00 0.00 C ATOM 1236 C ALA A 734 3.395 14.475 -4.609 1.00 0.00 C ATOM 1237 O ALA A 734 3.114 15.645 -4.340 1.00 0.00 O ATOM 1238 CB ALA A 734 4.517 13.581 -6.668 1.00 0.00 C ATOM 0 H ALA A 734 4.950 12.365 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 734 5.315 15.048 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 734 3.952 14.303 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 734 5.482 13.402 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 734 3.962 12.645 -6.612 1.00 0.00 H new ATOM 1244 N LYS A 735 2.576 13.454 -4.355 1.00 0.00 N ATOM 1245 CA LYS A 735 1.268 13.652 -3.729 1.00 0.00 C ATOM 1246 C LYS A 735 1.368 13.555 -2.205 1.00 0.00 C ATOM 1247 O LYS A 735 2.366 13.071 -1.671 1.00 0.00 O ATOM 1248 CB LYS A 735 0.266 12.620 -4.255 1.00 0.00 C ATOM 1249 CG LYS A 735 -0.135 12.837 -5.708 1.00 0.00 C ATOM 1250 CD LYS A 735 -1.099 14.005 -5.855 1.00 0.00 C ATOM 1251 CE LYS A 735 -2.549 13.551 -5.761 1.00 0.00 C ATOM 1252 NZ LYS A 735 -3.148 13.298 -7.103 1.00 0.00 N ATOM 0 H LYS A 735 2.795 12.482 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 735 0.919 14.652 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 735 0.697 11.624 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -0.629 12.647 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 735 0.756 13.022 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -0.599 11.931 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -0.897 14.744 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -0.933 14.496 -6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -2.605 12.642 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -3.133 14.311 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -4.135 12.991 -6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -3.119 14.172 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -2.608 12.554 -7.590 1.00 0.00 H new ATOM 1266 N LYS A 736 0.326 14.016 -1.512 1.00 0.00 N ATOM 1267 CA LYS A 736 0.299 13.983 -0.052 1.00 0.00 C ATOM 1268 C LYS A 736 -1.076 13.557 0.466 1.00 0.00 C ATOM 1269 O LYS A 736 -2.086 13.730 -0.218 1.00 0.00 O ATOM 1270 CB LYS A 736 0.673 15.356 0.518 1.00 0.00 C ATOM 1271 CG LYS A 736 -0.329 16.458 0.191 1.00 0.00 C ATOM 1272 CD LYS A 736 -0.022 17.122 -1.143 1.00 0.00 C ATOM 1273 CE LYS A 736 1.261 17.936 -1.082 1.00 0.00 C ATOM 1274 NZ LYS A 736 1.441 18.788 -2.291 1.00 0.00 N ATOM 0 H LYS A 736 -0.509 14.416 -1.939 1.00 0.00 H new ATOM 0 HA LYS A 736 1.031 13.247 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 736 0.767 15.275 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 736 1.652 15.643 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 736 -1.335 16.039 0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 736 -0.316 17.208 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 736 0.067 16.360 -1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 736 -0.851 17.770 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 736 1.248 18.567 -0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 736 2.113 17.263 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 2.327 19.326 -2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 1.480 18.185 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 0.642 19.449 -2.372 1.00 0.00 H new ATOM 1288 N PHE A 737 -1.102 12.997 1.678 1.00 0.00 N ATOM 1289 CA PHE A 737 -2.349 12.542 2.292 1.00 0.00 C ATOM 1290 C PHE A 737 -2.356 12.814 3.794 1.00 0.00 C ATOM 1291 O PHE A 737 -1.303 12.904 4.426 1.00 0.00 O ATOM 1292 CB PHE A 737 -2.560 11.045 2.034 1.00 0.00 C ATOM 1293 CG PHE A 737 -2.360 10.648 0.597 1.00 0.00 C ATOM 1294 CD1 PHE A 737 -3.311 10.960 -0.358 1.00 0.00 C ATOM 1295 CD2 PHE A 737 -1.216 9.973 0.205 1.00 0.00 C ATOM 1296 CE1 PHE A 737 -3.125 10.605 -1.679 1.00 0.00 C ATOM 1297 CE2 PHE A 737 -1.025 9.614 -1.115 1.00 0.00 C ATOM 1298 CZ PHE A 737 -1.981 9.931 -2.059 1.00 0.00 C ATOM 0 H PHE A 737 -0.273 12.848 2.253 1.00 0.00 H new ATOM 0 HA PHE A 737 -3.166 13.102 1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 737 -1.871 10.476 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 737 -3.569 10.771 2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 737 -4.208 11.487 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 737 -0.465 9.724 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 737 -3.874 10.854 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 737 -0.129 9.086 -1.408 1.00 0.00 H new ATOM 0 HZ PHE A 737 -1.835 9.653 -3.092 1.00 0.00 H new ATOM 1308 N ASP A 738 -3.558 12.937 4.356 1.00 0.00 N ATOM 1309 CA ASP A 738 -3.723 13.193 5.784 1.00 0.00 C ATOM 1310 C ASP A 738 -3.627 11.902 6.603 1.00 0.00 C ATOM 1311 O ASP A 738 -3.328 11.941 7.798 1.00 0.00 O ATOM 1312 CB ASP A 738 -5.072 13.869 6.048 1.00 0.00 C ATOM 1313 CG ASP A 738 -4.992 14.932 7.130 1.00 0.00 C ATOM 1314 OD1 ASP A 738 -4.435 14.641 8.209 1.00 0.00 O ATOM 1315 OD2 ASP A 738 -5.488 16.052 6.897 1.00 0.00 O ATOM 0 H ASP A 738 -4.435 12.863 3.840 1.00 0.00 H new ATOM 0 HA ASP A 738 -2.914 13.855 6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -5.434 14.322 5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -5.802 13.114 6.340 1.00 0.00 H new ATOM 1320 N SER A 739 -3.885 10.762 5.958 1.00 0.00 N ATOM 1321 CA SER A 739 -3.835 9.468 6.637 1.00 0.00 C ATOM 1322 C SER A 739 -3.854 8.316 5.631 1.00 0.00 C ATOM 1323 O SER A 739 -3.891 8.540 4.419 1.00 0.00 O ATOM 1324 CB SER A 739 -5.009 9.332 7.614 1.00 0.00 C ATOM 1325 OG SER A 739 -6.204 9.849 7.056 1.00 0.00 O ATOM 0 H SER A 739 -4.130 10.710 4.969 1.00 0.00 H new ATOM 0 HA SER A 739 -2.900 9.418 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 739 -5.150 8.283 7.873 1.00 0.00 H new ATOM 0 HB3 SER A 739 -4.778 9.860 8.539 1.00 0.00 H new ATOM 0 HG SER A 739 -6.936 9.748 7.700 1.00 0.00 H new ATOM 1331 N LEU A 740 -3.828 7.084 6.142 1.00 0.00 N ATOM 1332 CA LEU A 740 -3.845 5.898 5.287 1.00 0.00 C ATOM 1333 C LEU A 740 -5.114 5.853 4.437 1.00 0.00 C ATOM 1334 O LEU A 740 -5.060 5.533 3.250 1.00 0.00 O ATOM 1335 CB LEU A 740 -3.732 4.627 6.135 1.00 0.00 C ATOM 1336 CG LEU A 740 -2.783 3.560 5.581 1.00 0.00 C ATOM 1337 CD1 LEU A 740 -1.955 2.949 6.703 1.00 0.00 C ATOM 1338 CD2 LEU A 740 -3.567 2.483 4.845 1.00 0.00 C ATOM 0 H LEU A 740 -3.795 6.883 7.141 1.00 0.00 H new ATOM 0 HA LEU A 740 -2.987 5.953 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 740 -3.398 4.904 7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 740 -4.725 4.189 6.240 1.00 0.00 H new ATOM 0 HG LEU A 740 -2.103 4.034 4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 740 -1.286 2.193 6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 740 -1.367 3.729 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 740 -2.618 2.487 7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 740 -2.878 1.732 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 740 -4.269 2.011 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 740 -4.116 2.933 4.018 1.00 0.00 H new ATOM 1350 N LEU A 741 -6.254 6.184 5.050 1.00 0.00 N ATOM 1351 CA LEU A 741 -7.533 6.186 4.339 1.00 0.00 C ATOM 1352 C LEU A 741 -7.469 7.099 3.117 1.00 0.00 C ATOM 1353 O LEU A 741 -7.890 6.717 2.025 1.00 0.00 O ATOM 1354 CB LEU A 741 -8.667 6.635 5.267 1.00 0.00 C ATOM 1355 CG LEU A 741 -10.049 6.058 4.933 1.00 0.00 C ATOM 1356 CD1 LEU A 741 -10.833 5.778 6.208 1.00 0.00 C ATOM 1357 CD2 LEU A 741 -10.820 7.005 4.022 1.00 0.00 C ATOM 0 H LEU A 741 -6.316 6.453 6.032 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.734 5.168 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -8.411 6.356 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -8.729 7.723 5.240 1.00 0.00 H new ATOM 0 HG LEU A 741 -9.910 5.115 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -11.810 5.369 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -10.288 5.059 6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -10.962 6.705 6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -11.797 6.578 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -10.950 7.965 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -10.265 7.150 3.095 1.00 0.00 H new ATOM 1369 N GLU A 742 -6.929 8.304 3.310 1.00 0.00 N ATOM 1370 CA GLU A 742 -6.795 9.271 2.223 1.00 0.00 C ATOM 1371 C GLU A 742 -5.892 8.722 1.118 1.00 0.00 C ATOM 1372 O GLU A 742 -6.142 8.945 -0.067 1.00 0.00 O ATOM 1373 CB GLU A 742 -6.233 10.594 2.751 1.00 0.00 C ATOM 1374 CG GLU A 742 -7.285 11.500 3.372 1.00 0.00 C ATOM 1375 CD GLU A 742 -7.681 12.641 2.456 1.00 0.00 C ATOM 1376 OE1 GLU A 742 -6.816 13.494 2.161 1.00 0.00 O ATOM 1377 OE2 GLU A 742 -8.855 12.680 2.030 1.00 0.00 O ATOM 0 H GLU A 742 -6.578 8.632 4.210 1.00 0.00 H new ATOM 0 HA GLU A 742 -7.785 9.451 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 742 -5.465 10.381 3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 742 -5.747 11.125 1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 742 -8.169 10.911 3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 742 -6.903 11.906 4.309 1.00 0.00 H new ATOM 1384 N LEU A 743 -4.847 7.997 1.517 1.00 0.00 N ATOM 1385 CA LEU A 743 -3.907 7.405 0.565 1.00 0.00 C ATOM 1386 C LEU A 743 -4.583 6.287 -0.230 1.00 0.00 C ATOM 1387 O LEU A 743 -4.474 6.236 -1.457 1.00 0.00 O ATOM 1388 CB LEU A 743 -2.666 6.873 1.312 1.00 0.00 C ATOM 1389 CG LEU A 743 -1.714 5.964 0.515 1.00 0.00 C ATOM 1390 CD1 LEU A 743 -2.259 4.545 0.423 1.00 0.00 C ATOM 1391 CD2 LEU A 743 -1.446 6.524 -0.877 1.00 0.00 C ATOM 0 H LEU A 743 -4.630 7.805 2.495 1.00 0.00 H new ATOM 0 HA LEU A 743 -3.586 8.173 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 743 -2.095 7.728 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 743 -3.007 6.322 2.189 1.00 0.00 H new ATOM 0 HG LEU A 743 -0.767 5.933 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 743 -1.566 3.925 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 743 -2.375 4.134 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 743 -3.227 4.559 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 743 -0.770 5.858 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 743 -2.385 6.605 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 743 -0.991 7.511 -0.791 1.00 0.00 H new ATOM 1403 N VAL A 744 -5.281 5.393 0.475 1.00 0.00 N ATOM 1404 CA VAL A 744 -5.973 4.276 -0.170 1.00 0.00 C ATOM 1405 C VAL A 744 -7.087 4.767 -1.093 1.00 0.00 C ATOM 1406 O VAL A 744 -7.189 4.321 -2.235 1.00 0.00 O ATOM 1407 CB VAL A 744 -6.572 3.296 0.863 1.00 0.00 C ATOM 1408 CG1 VAL A 744 -7.136 2.062 0.167 1.00 0.00 C ATOM 1409 CG2 VAL A 744 -5.529 2.901 1.900 1.00 0.00 C ATOM 0 H VAL A 744 -5.381 5.421 1.490 1.00 0.00 H new ATOM 0 HA VAL A 744 -5.221 3.751 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 744 -7.389 3.801 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 744 -7.553 1.384 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 744 -7.919 2.363 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 744 -6.340 1.556 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 744 -5.973 2.211 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 744 -4.687 2.418 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 744 -5.179 3.792 2.422 1.00 0.00 H new ATOM 1419 N GLU A 745 -7.925 5.678 -0.595 1.00 0.00 N ATOM 1420 CA GLU A 745 -9.035 6.210 -1.388 1.00 0.00 C ATOM 1421 C GLU A 745 -8.534 6.906 -2.656 1.00 0.00 C ATOM 1422 O GLU A 745 -9.108 6.731 -3.731 1.00 0.00 O ATOM 1423 CB GLU A 745 -9.892 7.173 -0.555 1.00 0.00 C ATOM 1424 CG GLU A 745 -9.197 8.477 -0.194 1.00 0.00 C ATOM 1425 CD GLU A 745 -10.059 9.382 0.664 1.00 0.00 C ATOM 1426 OE1 GLU A 745 -10.140 9.140 1.886 1.00 0.00 O ATOM 1427 OE2 GLU A 745 -10.654 10.333 0.113 1.00 0.00 O ATOM 0 H GLU A 745 -7.857 6.061 0.348 1.00 0.00 H new ATOM 0 HA GLU A 745 -9.654 5.365 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 745 -10.803 7.401 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 745 -10.195 6.670 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 745 -8.271 8.255 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 745 -8.923 9.003 -1.108 1.00 0.00 H new ATOM 1434 N TYR A 746 -7.466 7.696 -2.527 1.00 0.00 N ATOM 1435 CA TYR A 746 -6.905 8.410 -3.674 1.00 0.00 C ATOM 1436 C TYR A 746 -6.389 7.436 -4.731 1.00 0.00 C ATOM 1437 O TYR A 746 -6.765 7.525 -5.900 1.00 0.00 O ATOM 1438 CB TYR A 746 -5.771 9.340 -3.230 1.00 0.00 C ATOM 1439 CG TYR A 746 -6.132 10.810 -3.255 1.00 0.00 C ATOM 1440 CD1 TYR A 746 -6.033 11.552 -4.427 1.00 0.00 C ATOM 1441 CD2 TYR A 746 -6.562 11.461 -2.104 1.00 0.00 C ATOM 1442 CE1 TYR A 746 -6.353 12.896 -4.451 1.00 0.00 C ATOM 1443 CE2 TYR A 746 -6.882 12.806 -2.120 1.00 0.00 C ATOM 1444 CZ TYR A 746 -6.776 13.519 -3.297 1.00 0.00 C ATOM 1445 OH TYR A 746 -7.091 14.858 -3.318 1.00 0.00 O ATOM 0 H TYR A 746 -6.976 7.856 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 746 -7.704 9.007 -4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 746 -5.468 9.068 -2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 746 -4.908 9.178 -3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 746 -5.700 11.069 -5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 746 -6.648 10.906 -1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 746 -6.272 13.456 -5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 746 -7.213 13.296 -1.216 1.00 0.00 H new ATOM 0 HH TYR A 746 -7.373 15.142 -2.423 1.00 0.00 H new ATOM 1455 N TYR A 747 -5.525 6.507 -4.318 1.00 0.00 N ATOM 1456 CA TYR A 747 -4.963 5.522 -5.243 1.00 0.00 C ATOM 1457 C TYR A 747 -6.018 4.518 -5.707 1.00 0.00 C ATOM 1458 O TYR A 747 -5.853 3.879 -6.748 1.00 0.00 O ATOM 1459 CB TYR A 747 -3.782 4.789 -4.603 1.00 0.00 C ATOM 1460 CG TYR A 747 -2.439 5.407 -4.934 1.00 0.00 C ATOM 1461 CD1 TYR A 747 -1.736 5.024 -6.072 1.00 0.00 C ATOM 1462 CD2 TYR A 747 -1.878 6.376 -4.113 1.00 0.00 C ATOM 1463 CE1 TYR A 747 -0.511 5.589 -6.377 1.00 0.00 C ATOM 1464 CE2 TYR A 747 -0.655 6.945 -4.413 1.00 0.00 C ATOM 1465 CZ TYR A 747 0.025 6.549 -5.545 1.00 0.00 C ATOM 1466 OH TYR A 747 1.244 7.115 -5.846 1.00 0.00 O ATOM 0 H TYR A 747 -5.201 6.416 -3.355 1.00 0.00 H new ATOM 0 HA TYR A 747 -4.608 6.065 -6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 747 -3.913 4.780 -3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 747 -3.787 3.750 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 747 -2.153 4.274 -6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 747 -2.406 6.690 -3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 747 0.023 5.280 -7.263 1.00 0.00 H new ATOM 0 HE2 TYR A 747 -0.233 7.697 -3.763 1.00 0.00 H new ATOM 0 HH TYR A 747 1.477 7.774 -5.159 1.00 0.00 H new ATOM 1476 N GLN A 748 -7.111 4.385 -4.949 1.00 0.00 N ATOM 1477 CA GLN A 748 -8.183 3.464 -5.320 1.00 0.00 C ATOM 1478 C GLN A 748 -8.780 3.868 -6.668 1.00 0.00 C ATOM 1479 O GLN A 748 -9.212 3.014 -7.444 1.00 0.00 O ATOM 1480 CB GLN A 748 -9.282 3.443 -4.251 1.00 0.00 C ATOM 1481 CG GLN A 748 -9.259 2.199 -3.376 1.00 0.00 C ATOM 1482 CD GLN A 748 -10.592 1.930 -2.698 1.00 0.00 C ATOM 1483 OE1 GLN A 748 -11.650 2.279 -3.220 1.00 0.00 O ATOM 1484 NE2 GLN A 748 -10.545 1.307 -1.525 1.00 0.00 N ATOM 0 H GLN A 748 -7.274 4.899 -4.083 1.00 0.00 H new ATOM 0 HA GLN A 748 -7.758 2.463 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -9.178 4.324 -3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -10.254 3.515 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -8.986 1.337 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -8.486 2.310 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -9.646 1.035 -1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -11.408 1.101 -1.022 1.00 0.00 H new ATOM 1493 N CYS A 749 -8.796 5.177 -6.939 1.00 0.00 N ATOM 1494 CA CYS A 749 -9.333 5.701 -8.193 1.00 0.00 C ATOM 1495 C CYS A 749 -8.214 6.072 -9.170 1.00 0.00 C ATOM 1496 O CYS A 749 -8.342 5.847 -10.375 1.00 0.00 O ATOM 1497 CB CYS A 749 -10.215 6.923 -7.924 1.00 0.00 C ATOM 1498 SG CYS A 749 -11.947 6.529 -7.588 1.00 0.00 S ATOM 0 H CYS A 749 -8.442 5.892 -6.304 1.00 0.00 H new ATOM 0 HA CYS A 749 -9.935 4.915 -8.649 1.00 0.00 H new ATOM 0 HB2 CYS A 749 -9.808 7.471 -7.074 1.00 0.00 H new ATOM 0 HB3 CYS A 749 -10.166 7.589 -8.786 1.00 0.00 H new ATOM 0 HG CYS A 749 -12.608 7.627 -7.372 1.00 0.00 H new ATOM 1504 N HIS A 750 -7.122 6.643 -8.656 1.00 0.00 N ATOM 1505 CA HIS A 750 -6.000 7.040 -9.508 1.00 0.00 C ATOM 1506 C HIS A 750 -5.053 5.863 -9.751 1.00 0.00 C ATOM 1507 O HIS A 750 -4.748 5.100 -8.832 1.00 0.00 O ATOM 1508 CB HIS A 750 -5.229 8.210 -8.891 1.00 0.00 C ATOM 1509 CG HIS A 750 -6.068 9.430 -8.654 1.00 0.00 C ATOM 1510 ND1 HIS A 750 -6.497 9.816 -7.403 1.00 0.00 N ATOM 1511 CD2 HIS A 750 -6.544 10.357 -9.517 1.00 0.00 C ATOM 1512 CE1 HIS A 750 -7.201 10.931 -7.505 1.00 0.00 C ATOM 1513 NE2 HIS A 750 -7.243 11.280 -8.778 1.00 0.00 N ATOM 0 H HIS A 750 -6.992 6.839 -7.664 1.00 0.00 H new ATOM 0 HA HIS A 750 -6.412 7.360 -10.465 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -4.796 7.888 -7.944 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -4.400 8.473 -9.547 1.00 0.00 H new ATOM 0 HD1 HIS A 750 -6.302 9.319 -6.534 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -6.401 10.369 -10.587 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -7.662 11.465 -6.687 1.00 0.00 H new ATOM 1522 N SER A 751 -4.593 5.727 -10.993 1.00 0.00 N ATOM 1523 CA SER A 751 -3.683 4.645 -11.365 1.00 0.00 C ATOM 1524 C SER A 751 -2.255 4.940 -10.915 1.00 0.00 C ATOM 1525 O SER A 751 -1.836 6.096 -10.855 1.00 0.00 O ATOM 1526 CB SER A 751 -3.712 4.421 -12.879 1.00 0.00 C ATOM 1527 OG SER A 751 -2.958 3.275 -13.241 1.00 0.00 O ATOM 0 H SER A 751 -4.836 6.354 -11.760 1.00 0.00 H new ATOM 0 HA SER A 751 -4.021 3.740 -10.860 1.00 0.00 H new ATOM 0 HB2 SER A 751 -4.743 4.302 -13.212 1.00 0.00 H new ATOM 0 HB3 SER A 751 -3.312 5.298 -13.387 1.00 0.00 H new ATOM 0 HG SER A 751 -2.994 3.153 -14.213 1.00 0.00 H new ATOM 1533 N LEU A 752 -1.509 3.880 -10.610 1.00 0.00 N ATOM 1534 CA LEU A 752 -0.123 4.017 -10.174 1.00 0.00 C ATOM 1535 C LEU A 752 0.769 4.555 -11.299 1.00 0.00 C ATOM 1536 O LEU A 752 1.858 5.066 -11.037 1.00 0.00 O ATOM 1537 CB LEU A 752 0.413 2.674 -9.679 1.00 0.00 C ATOM 1538 CG LEU A 752 0.006 2.301 -8.249 1.00 0.00 C ATOM 1539 CD1 LEU A 752 -0.424 0.846 -8.178 1.00 0.00 C ATOM 1540 CD2 LEU A 752 1.152 2.571 -7.285 1.00 0.00 C ATOM 0 H LEU A 752 -1.842 2.917 -10.657 1.00 0.00 H new ATOM 0 HA LEU A 752 -0.103 4.736 -9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 752 0.068 1.891 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 752 1.501 2.690 -9.738 1.00 0.00 H new ATOM 0 HG LEU A 752 -0.842 2.920 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 752 -0.709 0.600 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 752 -1.275 0.685 -8.840 1.00 0.00 H new ATOM 0 HD13 LEU A 752 0.403 0.207 -8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 752 0.848 2.301 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 752 2.018 1.976 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 752 1.412 3.629 -7.316 1.00 0.00 H new ATOM 1552 N LYS A 753 0.301 4.444 -12.550 1.00 0.00 N ATOM 1553 CA LYS A 753 1.061 4.926 -13.707 1.00 0.00 C ATOM 1554 C LYS A 753 1.520 6.372 -13.519 1.00 0.00 C ATOM 1555 O LYS A 753 2.573 6.768 -14.024 1.00 0.00 O ATOM 1556 CB LYS A 753 0.227 4.813 -14.989 1.00 0.00 C ATOM 1557 CG LYS A 753 -1.091 5.577 -14.946 1.00 0.00 C ATOM 1558 CD LYS A 753 -0.985 6.922 -15.649 1.00 0.00 C ATOM 1559 CE LYS A 753 -2.240 7.235 -16.451 1.00 0.00 C ATOM 1560 NZ LYS A 753 -2.130 6.781 -17.867 1.00 0.00 N ATOM 0 H LYS A 753 -0.599 4.025 -12.784 1.00 0.00 H new ATOM 0 HA LYS A 753 1.946 4.295 -13.796 1.00 0.00 H new ATOM 0 HB2 LYS A 753 0.819 5.179 -15.828 1.00 0.00 H new ATOM 0 HB3 LYS A 753 0.018 3.761 -15.182 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -1.873 4.981 -15.417 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -1.389 5.731 -13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -0.819 7.707 -14.911 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -0.120 6.920 -16.312 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -3.098 6.754 -15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -2.425 8.309 -16.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -3.007 7.014 -18.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -1.327 7.259 -18.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -1.979 5.752 -17.891 1.00 0.00 H new ATOM 1574 N GLU A 754 0.723 7.159 -12.794 1.00 0.00 N ATOM 1575 CA GLU A 754 1.047 8.563 -12.541 1.00 0.00 C ATOM 1576 C GLU A 754 2.434 8.706 -11.915 1.00 0.00 C ATOM 1577 O GLU A 754 3.192 9.609 -12.270 1.00 0.00 O ATOM 1578 CB GLU A 754 -0.003 9.198 -11.623 1.00 0.00 C ATOM 1579 CG GLU A 754 -1.423 9.099 -12.160 1.00 0.00 C ATOM 1580 CD GLU A 754 -1.847 10.336 -12.927 1.00 0.00 C ATOM 1581 OE1 GLU A 754 -1.117 10.737 -13.859 1.00 0.00 O ATOM 1582 OE2 GLU A 754 -2.908 10.905 -12.595 1.00 0.00 O ATOM 0 H GLU A 754 -0.152 6.847 -12.372 1.00 0.00 H new ATOM 0 HA GLU A 754 1.046 9.081 -13.500 1.00 0.00 H new ATOM 0 HB2 GLU A 754 0.041 8.716 -10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 754 0.247 10.248 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -1.501 8.228 -12.811 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -2.111 8.938 -11.330 1.00 0.00 H new ATOM 1589 N SER A 755 2.759 7.808 -10.988 1.00 0.00 N ATOM 1590 CA SER A 755 4.055 7.837 -10.317 1.00 0.00 C ATOM 1591 C SER A 755 4.981 6.750 -10.862 1.00 0.00 C ATOM 1592 O SER A 755 6.113 7.029 -11.259 1.00 0.00 O ATOM 1593 CB SER A 755 3.876 7.659 -8.811 1.00 0.00 C ATOM 1594 OG SER A 755 3.591 8.895 -8.181 1.00 0.00 O ATOM 0 H SER A 755 2.144 7.053 -10.685 1.00 0.00 H new ATOM 0 HA SER A 755 4.512 8.807 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 755 3.067 6.954 -8.619 1.00 0.00 H new ATOM 0 HB3 SER A 755 4.781 7.229 -8.382 1.00 0.00 H new ATOM 0 HG SER A 755 2.803 8.795 -7.606 1.00 0.00 H new ATOM 1600 N PHE A 756 4.493 5.512 -10.878 1.00 0.00 N ATOM 1601 CA PHE A 756 5.272 4.382 -11.374 1.00 0.00 C ATOM 1602 C PHE A 756 4.862 4.039 -12.802 1.00 0.00 C ATOM 1603 O PHE A 756 3.816 3.428 -13.023 1.00 0.00 O ATOM 1604 CB PHE A 756 5.081 3.161 -10.470 1.00 0.00 C ATOM 1605 CG PHE A 756 5.237 3.457 -9.004 1.00 0.00 C ATOM 1606 CD1 PHE A 756 6.488 3.450 -8.411 1.00 0.00 C ATOM 1607 CD2 PHE A 756 4.130 3.742 -8.219 1.00 0.00 C ATOM 1608 CE1 PHE A 756 6.633 3.720 -7.064 1.00 0.00 C ATOM 1609 CE2 PHE A 756 4.268 4.013 -6.871 1.00 0.00 C ATOM 1610 CZ PHE A 756 5.522 4.002 -6.293 1.00 0.00 C ATOM 0 H PHE A 756 3.558 5.266 -10.552 1.00 0.00 H new ATOM 0 HA PHE A 756 6.325 4.664 -11.367 1.00 0.00 H new ATOM 0 HB2 PHE A 756 4.088 2.745 -10.643 1.00 0.00 H new ATOM 0 HB3 PHE A 756 5.802 2.394 -10.754 1.00 0.00 H new ATOM 0 HD1 PHE A 756 7.361 3.231 -9.008 1.00 0.00 H new ATOM 0 HD2 PHE A 756 3.147 3.752 -8.667 1.00 0.00 H new ATOM 0 HE1 PHE A 756 7.615 3.711 -6.614 1.00 0.00 H new ATOM 0 HE2 PHE A 756 3.397 4.233 -6.271 1.00 0.00 H new ATOM 0 HZ PHE A 756 5.634 4.214 -5.240 1.00 0.00 H new ATOM 1620 N LYS A 757 5.686 4.435 -13.770 1.00 0.00 N ATOM 1621 CA LYS A 757 5.400 4.167 -15.178 1.00 0.00 C ATOM 1622 C LYS A 757 5.301 2.661 -15.443 1.00 0.00 C ATOM 1623 O LYS A 757 4.528 2.229 -16.298 1.00 0.00 O ATOM 1624 CB LYS A 757 6.471 4.794 -16.078 1.00 0.00 C ATOM 1625 CG LYS A 757 6.676 6.284 -15.844 1.00 0.00 C ATOM 1626 CD LYS A 757 5.441 7.088 -16.221 1.00 0.00 C ATOM 1627 CE LYS A 757 5.225 8.259 -15.274 1.00 0.00 C ATOM 1628 NZ LYS A 757 6.220 9.347 -15.496 1.00 0.00 N ATOM 0 H LYS A 757 6.556 4.942 -13.606 1.00 0.00 H new ATOM 0 HA LYS A 757 4.437 4.620 -15.414 1.00 0.00 H new ATOM 0 HB2 LYS A 757 7.417 4.277 -15.916 1.00 0.00 H new ATOM 0 HB3 LYS A 757 6.195 4.634 -17.120 1.00 0.00 H new ATOM 0 HG2 LYS A 757 6.917 6.458 -14.795 1.00 0.00 H new ATOM 0 HG3 LYS A 757 7.528 6.630 -16.429 1.00 0.00 H new ATOM 0 HD2 LYS A 757 5.545 7.458 -17.241 1.00 0.00 H new ATOM 0 HD3 LYS A 757 4.565 6.440 -16.205 1.00 0.00 H new ATOM 0 HE2 LYS A 757 4.219 8.655 -15.410 1.00 0.00 H new ATOM 0 HE3 LYS A 757 5.293 7.910 -14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 757 6.038 10.125 -14.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 757 7.179 8.977 -15.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 757 6.138 9.699 -16.471 1.00 0.00 H new ATOM 1642 N GLN A 758 6.078 1.870 -14.696 1.00 0.00 N ATOM 1643 CA GLN A 758 6.066 0.412 -14.842 1.00 0.00 C ATOM 1644 C GLN A 758 4.696 -0.171 -14.477 1.00 0.00 C ATOM 1645 O GLN A 758 4.293 -1.206 -15.009 1.00 0.00 O ATOM 1646 CB GLN A 758 7.150 -0.222 -13.960 1.00 0.00 C ATOM 1647 CG GLN A 758 7.922 -1.341 -14.646 1.00 0.00 C ATOM 1648 CD GLN A 758 9.370 -0.974 -14.924 1.00 0.00 C ATOM 1649 OE1 GLN A 758 9.748 0.194 -14.878 1.00 0.00 O ATOM 1650 NE2 GLN A 758 10.189 -1.979 -15.221 1.00 0.00 N ATOM 0 H GLN A 758 6.723 2.215 -13.985 1.00 0.00 H new ATOM 0 HA GLN A 758 6.271 0.181 -15.887 1.00 0.00 H new ATOM 0 HB2 GLN A 758 7.851 0.552 -13.648 1.00 0.00 H new ATOM 0 HB3 GLN A 758 6.686 -0.615 -13.055 1.00 0.00 H new ATOM 0 HG2 GLN A 758 7.892 -2.233 -14.021 1.00 0.00 H new ATOM 0 HG3 GLN A 758 7.429 -1.593 -15.585 1.00 0.00 H new ATOM 0 HE21 GLN A 758 9.834 -2.935 -15.248 1.00 0.00 H new ATOM 0 HE22 GLN A 758 11.172 -1.794 -15.421 1.00 0.00 H new ATOM 1659 N LEU A 759 3.989 0.497 -13.563 1.00 0.00 N ATOM 1660 CA LEU A 759 2.669 0.043 -13.125 1.00 0.00 C ATOM 1661 C LEU A 759 1.552 0.812 -13.827 1.00 0.00 C ATOM 1662 O LEU A 759 1.733 1.961 -14.236 1.00 0.00 O ATOM 1663 CB LEU A 759 2.531 0.204 -11.609 1.00 0.00 C ATOM 1664 CG LEU A 759 3.060 -0.969 -10.780 1.00 0.00 C ATOM 1665 CD1 LEU A 759 4.493 -0.708 -10.336 1.00 0.00 C ATOM 1666 CD2 LEU A 759 2.163 -1.221 -9.576 1.00 0.00 C ATOM 0 H LEU A 759 4.309 1.354 -13.112 1.00 0.00 H new ATOM 0 HA LEU A 759 2.577 -1.010 -13.390 1.00 0.00 H new ATOM 0 HB2 LEU A 759 3.057 1.109 -11.306 1.00 0.00 H new ATOM 0 HB3 LEU A 759 1.478 0.352 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 759 3.053 -1.862 -11.405 1.00 0.00 H new ATOM 0 HD11 LEU A 759 4.851 -1.553 -9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 759 5.128 -0.581 -11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 759 4.527 0.197 -9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 759 2.555 -2.058 -8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 759 2.136 -0.330 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 759 1.154 -1.456 -9.916 1.00 0.00 H new ATOM 1678 N ASP A 760 0.388 0.171 -13.949 1.00 0.00 N ATOM 1679 CA ASP A 760 -0.775 0.790 -14.585 1.00 0.00 C ATOM 1680 C ASP A 760 -2.078 0.179 -14.057 1.00 0.00 C ATOM 1681 O ASP A 760 -3.051 0.021 -14.798 1.00 0.00 O ATOM 1682 CB ASP A 760 -0.699 0.640 -16.110 1.00 0.00 C ATOM 1683 CG ASP A 760 -0.445 1.964 -16.805 1.00 0.00 C ATOM 1684 OD1 ASP A 760 -1.406 2.748 -16.961 1.00 0.00 O ATOM 1685 OD2 ASP A 760 0.714 2.219 -17.190 1.00 0.00 O ATOM 0 H ASP A 760 0.226 -0.779 -13.615 1.00 0.00 H new ATOM 0 HA ASP A 760 -0.769 1.851 -14.337 1.00 0.00 H new ATOM 0 HB2 ASP A 760 0.096 -0.060 -16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -1.631 0.212 -16.478 1.00 0.00 H new ATOM 1690 N THR A 761 -2.088 -0.161 -12.767 1.00 0.00 N ATOM 1691 CA THR A 761 -3.263 -0.753 -12.134 1.00 0.00 C ATOM 1692 C THR A 761 -3.640 0.006 -10.860 1.00 0.00 C ATOM 1693 O THR A 761 -2.829 0.750 -10.307 1.00 0.00 O ATOM 1694 CB THR A 761 -3.006 -2.233 -11.818 1.00 0.00 C ATOM 1695 OG1 THR A 761 -4.132 -2.825 -11.186 1.00 0.00 O ATOM 1696 CG2 THR A 761 -1.796 -2.457 -10.930 1.00 0.00 C ATOM 0 H THR A 761 -1.293 -0.035 -12.141 1.00 0.00 H new ATOM 0 HA THR A 761 -4.098 -0.681 -12.830 1.00 0.00 H new ATOM 0 HB THR A 761 -2.815 -2.701 -12.784 1.00 0.00 H new ATOM 0 HG1 THR A 761 -4.009 -3.796 -11.141 1.00 0.00 H new ATOM 0 HG21 THR A 761 -1.672 -3.524 -10.746 1.00 0.00 H new ATOM 0 HG22 THR A 761 -0.905 -2.068 -11.424 1.00 0.00 H new ATOM 0 HG23 THR A 761 -1.940 -1.940 -9.981 1.00 0.00 H new ATOM 1704 N THR A 762 -4.875 -0.193 -10.406 1.00 0.00 N ATOM 1705 CA THR A 762 -5.375 0.462 -9.200 1.00 0.00 C ATOM 1706 C THR A 762 -5.808 -0.574 -8.159 1.00 0.00 C ATOM 1707 O THR A 762 -6.019 -1.744 -8.487 1.00 0.00 O ATOM 1708 CB THR A 762 -6.554 1.379 -9.549 1.00 0.00 C ATOM 1709 OG1 THR A 762 -7.605 0.637 -10.144 1.00 0.00 O ATOM 1710 CG2 THR A 762 -6.188 2.500 -10.502 1.00 0.00 C ATOM 0 H THR A 762 -5.552 -0.807 -10.859 1.00 0.00 H new ATOM 0 HA THR A 762 -4.569 1.061 -8.776 1.00 0.00 H new ATOM 0 HB THR A 762 -6.864 1.820 -8.602 1.00 0.00 H new ATOM 0 HG1 THR A 762 -8.349 1.238 -10.358 1.00 0.00 H new ATOM 0 HG21 THR A 762 -7.070 3.108 -10.704 1.00 0.00 H new ATOM 0 HG22 THR A 762 -5.414 3.122 -10.052 1.00 0.00 H new ATOM 0 HG23 THR A 762 -5.817 2.077 -11.436 1.00 0.00 H new ATOM 1718 N LEU A 763 -5.946 -0.135 -6.907 1.00 0.00 N ATOM 1719 CA LEU A 763 -6.361 -1.027 -5.822 1.00 0.00 C ATOM 1720 C LEU A 763 -7.789 -1.526 -6.056 1.00 0.00 C ATOM 1721 O LEU A 763 -8.750 -0.770 -5.904 1.00 0.00 O ATOM 1722 CB LEU A 763 -6.272 -0.314 -4.463 1.00 0.00 C ATOM 1723 CG LEU A 763 -4.958 0.429 -4.187 1.00 0.00 C ATOM 1724 CD1 LEU A 763 -4.965 1.032 -2.787 1.00 0.00 C ATOM 1725 CD2 LEU A 763 -3.766 -0.505 -4.357 1.00 0.00 C ATOM 0 H LEU A 763 -5.777 0.829 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 763 -5.684 -1.881 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -7.093 0.399 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -6.423 -1.052 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 763 -4.867 1.239 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -4.025 1.554 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -5.793 1.735 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -5.082 0.238 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -2.844 0.041 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -3.853 -1.337 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -3.746 -0.888 -5.377 1.00 0.00 H new ATOM 1737 N LYS A 764 -7.920 -2.797 -6.440 1.00 0.00 N ATOM 1738 CA LYS A 764 -9.231 -3.389 -6.711 1.00 0.00 C ATOM 1739 C LYS A 764 -9.660 -4.360 -5.606 1.00 0.00 C ATOM 1740 O LYS A 764 -10.669 -4.133 -4.938 1.00 0.00 O ATOM 1741 CB LYS A 764 -9.213 -4.109 -8.062 1.00 0.00 C ATOM 1742 CG LYS A 764 -10.599 -4.390 -8.625 1.00 0.00 C ATOM 1743 CD LYS A 764 -10.526 -4.985 -10.025 1.00 0.00 C ATOM 1744 CE LYS A 764 -11.673 -4.502 -10.902 1.00 0.00 C ATOM 1745 NZ LYS A 764 -11.493 -3.084 -11.329 1.00 0.00 N ATOM 0 H LYS A 764 -7.135 -3.435 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 764 -9.959 -2.578 -6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 764 -8.655 -3.505 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 764 -8.677 -5.052 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 764 -11.128 -5.077 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 764 -11.176 -3.465 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 764 -9.576 -4.715 -10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 764 -10.551 -6.073 -9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 764 -11.748 -5.139 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 764 -12.612 -4.600 -10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 764 -12.424 -2.645 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 764 -10.976 -2.563 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 764 -10.953 -3.055 -12.218 1.00 0.00 H new ATOM 1759 N TYR A 765 -8.902 -5.444 -5.424 1.00 0.00 N ATOM 1760 CA TYR A 765 -9.233 -6.444 -4.405 1.00 0.00 C ATOM 1761 C TYR A 765 -8.104 -6.609 -3.385 1.00 0.00 C ATOM 1762 O TYR A 765 -6.925 -6.534 -3.734 1.00 0.00 O ATOM 1763 CB TYR A 765 -9.539 -7.795 -5.064 1.00 0.00 C ATOM 1764 CG TYR A 765 -10.660 -7.747 -6.084 1.00 0.00 C ATOM 1765 CD1 TYR A 765 -11.894 -7.186 -5.770 1.00 0.00 C ATOM 1766 CD2 TYR A 765 -10.483 -8.266 -7.362 1.00 0.00 C ATOM 1767 CE1 TYR A 765 -12.917 -7.145 -6.700 1.00 0.00 C ATOM 1768 CE2 TYR A 765 -11.502 -8.227 -8.297 1.00 0.00 C ATOM 1769 CZ TYR A 765 -12.715 -7.666 -7.961 1.00 0.00 C ATOM 1770 OH TYR A 765 -13.731 -7.629 -8.889 1.00 0.00 O ATOM 0 H TYR A 765 -8.062 -5.651 -5.964 1.00 0.00 H new ATOM 0 HA TYR A 765 -10.117 -6.090 -3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 765 -8.635 -8.163 -5.550 1.00 0.00 H new ATOM 0 HB3 TYR A 765 -9.799 -8.515 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 765 -12.056 -6.776 -4.784 1.00 0.00 H new ATOM 0 HD2 TYR A 765 -9.534 -8.707 -7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 765 -13.869 -6.707 -6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 765 -11.348 -8.634 -9.285 1.00 0.00 H new ATOM 0 HH TYR A 765 -13.424 -8.036 -9.726 1.00 0.00 H new ATOM 1780 N PRO A 766 -8.458 -6.843 -2.105 1.00 0.00 N ATOM 1781 CA PRO A 766 -7.478 -7.026 -1.025 1.00 0.00 C ATOM 1782 C PRO A 766 -6.844 -8.419 -1.042 1.00 0.00 C ATOM 1783 O PRO A 766 -7.067 -9.204 -1.965 1.00 0.00 O ATOM 1784 CB PRO A 766 -8.320 -6.833 0.237 1.00 0.00 C ATOM 1785 CG PRO A 766 -9.681 -7.298 -0.150 1.00 0.00 C ATOM 1786 CD PRO A 766 -9.846 -6.950 -1.607 1.00 0.00 C ATOM 0 HA PRO A 766 -6.638 -6.336 -1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -7.924 -7.413 1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -8.331 -5.789 0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 766 -9.785 -8.371 0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 766 -10.445 -6.811 0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -10.404 -7.719 -2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -10.390 -6.014 -1.735 1.00 0.00 H new ATOM 1794 N TYR A 767 -6.053 -8.722 -0.010 1.00 0.00 N ATOM 1795 CA TYR A 767 -5.386 -10.020 0.095 1.00 0.00 C ATOM 1796 C TYR A 767 -6.345 -11.108 0.595 1.00 0.00 C ATOM 1797 O TYR A 767 -6.350 -12.225 0.075 1.00 0.00 O ATOM 1798 CB TYR A 767 -4.164 -9.922 1.019 1.00 0.00 C ATOM 1799 CG TYR A 767 -4.495 -9.578 2.459 1.00 0.00 C ATOM 1800 CD1 TYR A 767 -4.772 -10.576 3.384 1.00 0.00 C ATOM 1801 CD2 TYR A 767 -4.533 -8.256 2.891 1.00 0.00 C ATOM 1802 CE1 TYR A 767 -5.077 -10.271 4.695 1.00 0.00 C ATOM 1803 CE2 TYR A 767 -4.835 -7.942 4.202 1.00 0.00 C ATOM 1804 CZ TYR A 767 -5.108 -8.953 5.099 1.00 0.00 C ATOM 1805 OH TYR A 767 -5.413 -8.646 6.406 1.00 0.00 O ATOM 0 H TYR A 767 -5.859 -8.086 0.764 1.00 0.00 H new ATOM 0 HA TYR A 767 -5.053 -10.302 -0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 767 -3.631 -10.872 0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 767 -3.485 -9.166 0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 767 -4.748 -11.610 3.072 1.00 0.00 H new ATOM 0 HD2 TYR A 767 -4.323 -7.462 2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 767 -5.290 -11.060 5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 767 -4.857 -6.911 4.522 1.00 0.00 H new ATOM 0 HH TYR A 767 -5.611 -7.689 6.480 1.00 0.00 H new ATOM 1815 N LYS A 768 -7.153 -10.773 1.602 1.00 0.00 N ATOM 1816 CA LYS A 768 -8.113 -11.724 2.165 1.00 0.00 C ATOM 1817 C LYS A 768 -9.336 -11.858 1.258 1.00 0.00 C ATOM 1818 O LYS A 768 -9.704 -12.962 0.860 1.00 0.00 O ATOM 1819 CB LYS A 768 -8.549 -11.279 3.567 1.00 0.00 C ATOM 1820 CG LYS A 768 -7.957 -12.115 4.693 1.00 0.00 C ATOM 1821 CD LYS A 768 -9.041 -12.685 5.597 1.00 0.00 C ATOM 1822 CE LYS A 768 -9.291 -14.158 5.307 1.00 0.00 C ATOM 1823 NZ LYS A 768 -9.956 -14.365 3.988 1.00 0.00 N ATOM 0 H LYS A 768 -7.162 -9.853 2.043 1.00 0.00 H new ATOM 0 HA LYS A 768 -7.624 -12.696 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 768 -8.262 -10.237 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 768 -9.636 -11.322 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 768 -7.368 -12.930 4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 768 -7.276 -11.502 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 768 -8.748 -12.563 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 768 -9.965 -12.124 5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 768 -8.343 -14.696 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 768 -9.912 -14.582 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 768 -10.107 -15.382 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 768 -10.872 -13.873 3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 768 -9.353 -13.984 3.231 1.00 0.00 H new ATOM 1975 N GLU B1409 9.293 -0.736 -5.478 1.00 0.00 N ATOM 1976 CA GLU B1409 9.135 -0.103 -6.787 1.00 0.00 C ATOM 1977 C GLU B1409 9.570 1.359 -6.744 1.00 0.00 C ATOM 1978 O GLU B1409 9.092 2.133 -5.913 1.00 0.00 O ATOM 1979 CB GLU B1409 7.680 -0.192 -7.256 1.00 0.00 C ATOM 1980 CG GLU B1409 7.393 -1.381 -8.162 1.00 0.00 C ATOM 1981 CD GLU B1409 7.918 -1.200 -9.579 1.00 0.00 C ATOM 1982 OE1 GLU B1409 7.865 -0.063 -10.097 1.00 0.00 O ATOM 1983 OE2 GLU B1409 8.375 -2.200 -10.173 1.00 0.00 O ATOM 0 HA GLU B1409 9.772 -0.637 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU B1409 7.030 -0.249 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU B1409 7.423 0.725 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU B1409 7.840 -2.275 -7.728 1.00 0.00 H new ATOM 0 HG3 GLU B1409 6.317 -1.549 -8.200 1.00 0.00 H new ATOM 1990 N GLU B1410 10.471 1.732 -7.647 1.00 0.00 N ATOM 1991 CA GLU B1410 10.961 3.104 -7.716 1.00 0.00 C ATOM 1992 C GLU B1410 10.111 3.928 -8.674 1.00 0.00 C ATOM 1993 O GLU B1410 9.736 3.457 -9.750 1.00 0.00 O ATOM 1994 CB GLU B1410 12.427 3.131 -8.150 1.00 0.00 C ATOM 1995 CG GLU B1410 13.410 3.113 -6.987 1.00 0.00 C ATOM 1996 CD GLU B1410 13.547 4.462 -6.301 1.00 0.00 C ATOM 1997 OE1 GLU B1410 12.522 5.161 -6.148 1.00 0.00 O ATOM 1998 OE2 GLU B1410 14.679 4.818 -5.913 1.00 0.00 O ATOM 0 H GLU B1410 10.876 1.104 -8.341 1.00 0.00 H new ATOM 0 HA GLU B1410 10.887 3.543 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU B1410 12.622 2.273 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU B1410 12.603 4.024 -8.749 1.00 0.00 H new ATOM 0 HG2 GLU B1410 13.086 2.372 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU B1410 14.388 2.796 -7.350 1.00 0.00 H new ATOM 2005 N VAL B1411 9.800 5.158 -8.271 1.00 0.00 N ATOM 2006 CA VAL B1411 8.981 6.049 -9.086 1.00 0.00 C ATOM 2007 C VAL B1411 9.665 6.393 -10.406 1.00 0.00 C ATOM 2008 O VAL B1411 10.562 7.237 -10.454 1.00 0.00 O ATOM 2009 CB VAL B1411 8.622 7.350 -8.336 1.00 0.00 C ATOM 2010 CG1 VAL B1411 7.673 7.051 -7.185 1.00 0.00 C ATOM 2011 CG2 VAL B1411 9.874 8.070 -7.841 1.00 0.00 C ATOM 0 H VAL B1411 10.104 5.560 -7.384 1.00 0.00 H new ATOM 0 HA VAL B1411 8.060 5.507 -9.299 1.00 0.00 H new ATOM 0 HB VAL B1411 8.118 8.017 -9.035 1.00 0.00 H new ATOM 0 HG11 VAL B1411 7.428 7.977 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL B1411 6.760 6.601 -7.574 1.00 0.00 H new ATOM 0 HG13 VAL B1411 8.150 6.360 -6.490 1.00 0.00 H new ATOM 0 HG21 VAL B1411 9.586 8.982 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL B1411 10.423 7.419 -7.161 1.00 0.00 H new ATOM 0 HG23 VAL B1411 10.508 8.324 -8.691 1.00 0.00 H new ATOM 2021 N GLY B1412 9.231 5.725 -11.474 1.00 0.00 N ATOM 2022 CA GLY B1412 9.801 5.963 -12.788 1.00 0.00 C ATOM 2023 C GLY B1412 10.952 5.028 -13.097 1.00 0.00 C ATOM 2024 O GLY B1412 12.051 5.524 -13.421 1.00 0.00 O ATOM 2025 OXT GLY B1412 10.756 3.797 -13.014 1.00 0.00 O ATOM 0 H GLY B1412 8.493 5.022 -11.451 1.00 0.00 H new ATOM 0 HA2 GLY B1412 9.026 5.842 -13.545 1.00 0.00 H new ATOM 0 HA3 GLY B1412 10.148 6.994 -12.849 1.00 0.00 H new