USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=26 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 747 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 755 SER OG : rot -154:sc= 0.0968 USER MOD Set 2.1: A 710 SER OG : rot 122:sc= 0.736 USER MOD Set 2.2: A 719 HIS :FLIP no HD1:sc= 0.473 F(o=-0.25,f=1.2) USER MOD Set 3.1: A 668 TYR OH : rot 0:sc= -0.0945 USER MOD Set 3.2: A 739 SER OG : rot -133:sc= 0.0879 USER MOD Single : A 669 THR OG1 : rot 180:sc= 0.00263 USER MOD Single : A 671 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.0074) 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) USER MOD Single : A 682 GLN : amide:sc=-0.00627 K(o=-0.0063,f=-1.6) USER MOD Single : A 683 THR OG1 : rot 78:sc= 0.571 USER MOD Single : A 685 ASN : amide:sc= -0.0638 X(o=-0.064,f=-0.46) 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 690 HIS : no HD1:sc= -2.02! C(o=-2!,f=-3.7!) USER MOD Single : A 692 SER OG : rot 180:sc= 0 USER MOD Single : A 694 THR OG1 : rot -117:sc= 0.373 USER MOD Single : A 695 TYR OH : rot 130:sc= 0.522 USER MOD Single : A 712 LYS NZ :NH3+ -153:sc= 0.0745 (180deg=-0.946) USER MOD Single : A 714 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 725 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0342) USER MOD Single : A 727 ASN : amide:sc= -0.0549 X(o=-0.055,f=-0.055) USER MOD Single : A 730 HIS : no HE2:sc= -0.11 K(o=-0.11,f=-3.4!) USER MOD Single : A 732 THR OG1 : rot 180:sc= 0 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 746 TYR OH : rot 180:sc= 0 USER MOD Single : A 748 GLN : amide:sc= -0.0628 K(o=-0.063,f=-1.6!) USER MOD Single : A 749 CYS SG : rot 180:sc= 0 USER MOD Single : A 750 HIS : no HE2:sc= 0.169 K(o=0.17,f=-2.3!) USER MOD Single : A 751 SER OG : rot 160:sc= -0.133 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= 0.143 K(o=0.14,f=-2.3) USER MOD Single : A 761 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD Single : A 764 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 765 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 767 TYR OH : rot -32:sc= 0.467 USER MOD Single : A 768 LYS NZ :NH3+ -160:sc= -0.0274 (180deg=-0.203) USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 668 -6.984 0.951 11.787 1.00 0.00 N ATOM 146 CA TYR A 668 -7.217 0.680 10.373 1.00 0.00 C ATOM 147 C TYR A 668 -7.319 -0.824 10.100 1.00 0.00 C ATOM 148 O TYR A 668 -7.892 -1.236 9.091 1.00 0.00 O ATOM 149 CB TYR A 668 -6.101 1.290 9.531 1.00 0.00 C ATOM 150 CG TYR A 668 -6.395 2.695 9.059 1.00 0.00 C ATOM 151 CD1 TYR A 668 -6.640 3.720 9.966 1.00 0.00 C ATOM 152 CD2 TYR A 668 -6.427 2.998 7.704 1.00 0.00 C ATOM 153 CE1 TYR A 668 -6.909 5.006 9.534 1.00 0.00 C ATOM 154 CE2 TYR A 668 -6.692 4.277 7.265 1.00 0.00 C ATOM 155 CZ TYR A 668 -6.932 5.279 8.183 1.00 0.00 C ATOM 156 OH TYR A 668 -7.199 6.558 7.748 1.00 0.00 O ATOM 0 HA TYR A 668 -8.168 1.136 10.097 1.00 0.00 H new ATOM 0 HB2 TYR A 668 -5.180 1.297 10.114 1.00 0.00 H new ATOM 0 HB3 TYR A 668 -5.924 0.654 8.663 1.00 0.00 H new ATOM 0 HD1 TYR A 668 -6.620 3.509 11.025 1.00 0.00 H new ATOM 0 HD2 TYR A 668 -6.241 2.217 6.981 1.00 0.00 H new ATOM 0 HE1 TYR A 668 -7.100 5.791 10.250 1.00 0.00 H new ATOM 0 HE2 TYR A 668 -6.712 4.494 6.207 1.00 0.00 H new ATOM 0 HH TYR A 668 -7.348 7.142 8.521 1.00 0.00 H new ATOM 166 N THR A 669 -6.773 -1.641 11.008 1.00 0.00 N ATOM 167 CA THR A 669 -6.821 -3.099 10.869 1.00 0.00 C ATOM 168 C THR A 669 -8.263 -3.582 10.732 1.00 0.00 C ATOM 169 O THR A 669 -8.530 -4.569 10.047 1.00 0.00 O ATOM 170 CB THR A 669 -6.168 -3.777 12.078 1.00 0.00 C ATOM 171 OG1 THR A 669 -6.604 -3.178 13.288 1.00 0.00 O ATOM 172 CG2 THR A 669 -4.657 -3.722 12.057 1.00 0.00 C ATOM 0 H THR A 669 -6.293 -1.316 11.847 1.00 0.00 H new ATOM 0 HA THR A 669 -6.270 -3.367 9.968 1.00 0.00 H new ATOM 0 HB THR A 669 -6.476 -4.821 12.020 1.00 0.00 H new ATOM 0 HG1 THR A 669 -6.177 -3.626 14.047 1.00 0.00 H new ATOM 0 HG21 THR A 669 -4.262 -4.221 12.942 1.00 0.00 H new ATOM 0 HG22 THR A 669 -4.287 -4.223 11.163 1.00 0.00 H new ATOM 0 HG23 THR A 669 -4.331 -2.682 12.051 1.00 0.00 H new ATOM 180 N ALA A 670 -9.189 -2.875 11.382 1.00 0.00 N ATOM 181 CA ALA A 670 -10.606 -3.225 11.326 1.00 0.00 C ATOM 182 C ALA A 670 -11.098 -3.281 9.879 1.00 0.00 C ATOM 183 O ALA A 670 -11.989 -4.065 9.547 1.00 0.00 O ATOM 184 CB ALA A 670 -11.425 -2.218 12.120 1.00 0.00 C ATOM 0 H ALA A 670 -8.981 -2.056 11.953 1.00 0.00 H new ATOM 0 HA ALA A 670 -10.732 -4.214 11.767 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -12.480 -2.488 12.072 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -11.097 -2.221 13.159 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -11.286 -1.223 11.698 1.00 0.00 H new ATOM 190 N TYR A 671 -10.502 -2.453 9.020 1.00 0.00 N ATOM 191 CA TYR A 671 -10.866 -2.410 7.608 1.00 0.00 C ATOM 192 C TYR A 671 -10.035 -3.417 6.815 1.00 0.00 C ATOM 193 O TYR A 671 -8.899 -3.717 7.187 1.00 0.00 O ATOM 194 CB TYR A 671 -10.653 -1.001 7.042 1.00 0.00 C ATOM 195 CG TYR A 671 -11.336 0.096 7.831 1.00 0.00 C ATOM 196 CD1 TYR A 671 -10.777 0.593 9.003 1.00 0.00 C ATOM 197 CD2 TYR A 671 -12.535 0.643 7.396 1.00 0.00 C ATOM 198 CE1 TYR A 671 -11.394 1.602 9.718 1.00 0.00 C ATOM 199 CE2 TYR A 671 -13.160 1.650 8.106 1.00 0.00 C ATOM 200 CZ TYR A 671 -12.585 2.127 9.265 1.00 0.00 C ATOM 201 OH TYR A 671 -13.203 3.133 9.972 1.00 0.00 O ATOM 0 H TYR A 671 -9.762 -1.801 9.282 1.00 0.00 H new ATOM 0 HA TYR A 671 -11.921 -2.670 7.518 1.00 0.00 H new ATOM 0 HB2 TYR A 671 -9.583 -0.794 7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 671 -11.018 -0.975 6.015 1.00 0.00 H new ATOM 0 HD1 TYR A 671 -9.844 0.183 9.361 1.00 0.00 H new ATOM 0 HD2 TYR A 671 -12.987 0.275 6.487 1.00 0.00 H new ATOM 0 HE1 TYR A 671 -10.946 1.977 10.626 1.00 0.00 H new ATOM 0 HE2 TYR A 671 -14.095 2.062 7.755 1.00 0.00 H new ATOM 0 HH TYR A 671 -14.032 3.391 9.517 1.00 0.00 H new ATOM 211 N PRO A 672 -10.592 -3.959 5.710 1.00 0.00 N ATOM 212 CA PRO A 672 -9.891 -4.944 4.870 1.00 0.00 C ATOM 213 C PRO A 672 -8.573 -4.408 4.305 1.00 0.00 C ATOM 214 O PRO A 672 -8.136 -3.314 4.664 1.00 0.00 O ATOM 215 CB PRO A 672 -10.886 -5.227 3.737 1.00 0.00 C ATOM 216 CG PRO A 672 -12.213 -4.822 4.278 1.00 0.00 C ATOM 217 CD PRO A 672 -11.945 -3.666 5.197 1.00 0.00 C ATOM 0 HA PRO A 672 -9.611 -5.830 5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 672 -10.635 -4.659 2.841 1.00 0.00 H new ATOM 0 HB3 PRO A 672 -10.878 -6.281 3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 672 -12.891 -4.534 3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 672 -12.685 -5.646 4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 672 -11.979 -2.713 4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 672 -12.679 -3.611 6.001 1.00 0.00 H new ATOM 225 N TRP A 673 -7.944 -5.198 3.422 1.00 0.00 N ATOM 226 CA TRP A 673 -6.664 -4.832 2.792 1.00 0.00 C ATOM 227 C TRP A 673 -5.657 -4.261 3.802 1.00 0.00 C ATOM 228 O TRP A 673 -4.776 -3.478 3.437 1.00 0.00 O ATOM 229 CB TRP A 673 -6.873 -3.838 1.633 1.00 0.00 C ATOM 230 CG TRP A 673 -7.920 -2.792 1.892 1.00 0.00 C ATOM 231 CD1 TRP A 673 -9.238 -2.844 1.537 1.00 0.00 C ATOM 232 CD2 TRP A 673 -7.732 -1.538 2.557 1.00 0.00 C ATOM 233 NE1 TRP A 673 -9.883 -1.703 1.952 1.00 0.00 N ATOM 234 CE2 TRP A 673 -8.980 -0.886 2.578 1.00 0.00 C ATOM 235 CE3 TRP A 673 -6.633 -0.906 3.142 1.00 0.00 C ATOM 236 CZ2 TRP A 673 -9.153 0.369 3.160 1.00 0.00 C ATOM 237 CZ3 TRP A 673 -6.806 0.337 3.718 1.00 0.00 C ATOM 238 CH2 TRP A 673 -8.058 0.964 3.725 1.00 0.00 C ATOM 0 H TRP A 673 -8.305 -6.104 3.125 1.00 0.00 H new ATOM 0 HA TRP A 673 -6.244 -5.755 2.392 1.00 0.00 H new ATOM 0 HB2 TRP A 673 -5.926 -3.342 1.421 1.00 0.00 H new ATOM 0 HB3 TRP A 673 -7.148 -4.396 0.738 1.00 0.00 H new ATOM 0 HD1 TRP A 673 -9.705 -3.662 1.008 1.00 0.00 H new ATOM 0 HE1 TRP A 673 -10.873 -1.498 1.816 1.00 0.00 H new ATOM 0 HE3 TRP A 673 -5.663 -1.382 3.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 -10.118 0.855 3.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 -5.961 0.834 4.171 1.00 0.00 H new ATOM 0 HH2 TRP A 673 -8.161 1.936 4.185 1.00 0.00 H new ATOM 249 N PHE A 674 -5.780 -4.662 5.069 1.00 0.00 N ATOM 250 CA PHE A 674 -4.880 -4.191 6.113 1.00 0.00 C ATOM 251 C PHE A 674 -4.344 -5.360 6.933 1.00 0.00 C ATOM 252 O PHE A 674 -5.092 -6.011 7.663 1.00 0.00 O ATOM 253 CB PHE A 674 -5.603 -3.197 7.024 1.00 0.00 C ATOM 254 CG PHE A 674 -4.676 -2.343 7.844 1.00 0.00 C ATOM 255 CD1 PHE A 674 -3.983 -2.881 8.918 1.00 0.00 C ATOM 256 CD2 PHE A 674 -4.497 -1.001 7.543 1.00 0.00 C ATOM 257 CE1 PHE A 674 -3.131 -2.101 9.674 1.00 0.00 C ATOM 258 CE2 PHE A 674 -3.647 -0.215 8.297 1.00 0.00 C ATOM 259 CZ PHE A 674 -2.963 -0.766 9.363 1.00 0.00 C ATOM 0 H PHE A 674 -6.496 -5.312 5.393 1.00 0.00 H new ATOM 0 HA PHE A 674 -4.037 -3.689 5.638 1.00 0.00 H new ATOM 0 HB2 PHE A 674 -6.233 -2.550 6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 674 -6.264 -3.747 7.694 1.00 0.00 H new ATOM 0 HD1 PHE A 674 -4.112 -3.924 9.166 1.00 0.00 H new ATOM 0 HD2 PHE A 674 -5.028 -0.565 6.710 1.00 0.00 H new ATOM 0 HE1 PHE A 674 -2.597 -2.534 10.507 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -3.518 0.829 8.053 1.00 0.00 H new ATOM 0 HZ PHE A 674 -2.297 -0.153 9.953 1.00 0.00 H new ATOM 269 N ALA A 675 -3.045 -5.618 6.806 1.00 0.00 N ATOM 270 CA ALA A 675 -2.404 -6.705 7.538 1.00 0.00 C ATOM 271 C ALA A 675 -1.381 -6.161 8.528 1.00 0.00 C ATOM 272 O ALA A 675 -0.766 -5.121 8.287 1.00 0.00 O ATOM 273 CB ALA A 675 -1.748 -7.684 6.573 1.00 0.00 C ATOM 0 H ALA A 675 -2.416 -5.088 6.203 1.00 0.00 H new ATOM 0 HA ALA A 675 -3.171 -7.237 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 675 -1.275 -8.488 7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 675 -2.504 -8.102 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 675 -0.995 -7.163 5.982 1.00 0.00 H new ATOM 279 N GLY A 676 -1.208 -6.869 9.642 1.00 0.00 N ATOM 280 CA GLY A 676 -0.260 -6.442 10.657 1.00 0.00 C ATOM 281 C GLY A 676 1.177 -6.707 10.257 1.00 0.00 C ATOM 282 O GLY A 676 1.555 -6.508 9.101 1.00 0.00 O ATOM 0 H GLY A 676 -1.708 -7.731 9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -0.390 -5.376 10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -0.475 -6.960 11.591 1.00 0.00 H new ATOM 286 N ASN A 677 1.980 -7.158 11.216 1.00 0.00 N ATOM 287 CA ASN A 677 3.386 -7.457 10.962 1.00 0.00 C ATOM 288 C ASN A 677 3.525 -8.781 10.209 1.00 0.00 C ATOM 289 O ASN A 677 3.837 -9.818 10.798 1.00 0.00 O ATOM 290 CB ASN A 677 4.168 -7.503 12.280 1.00 0.00 C ATOM 291 CG ASN A 677 5.670 -7.427 12.069 1.00 0.00 C ATOM 292 OD1 ASN A 677 6.410 -8.316 12.489 1.00 0.00 O ATOM 293 ND2 ASN A 677 6.130 -6.364 11.417 1.00 0.00 N ATOM 0 H ASN A 677 1.681 -7.325 12.177 1.00 0.00 H new ATOM 0 HA ASN A 677 3.802 -6.664 10.341 1.00 0.00 H new ATOM 0 HB2 ASN A 677 3.851 -6.676 12.915 1.00 0.00 H new ATOM 0 HB3 ASN A 677 3.925 -8.424 12.811 1.00 0.00 H new ATOM 0 HD21 ASN A 677 7.131 -6.263 11.248 1.00 0.00 H new ATOM 0 HD22 ASN A 677 5.482 -5.649 11.085 1.00 0.00 H new ATOM 300 N MET A 678 3.280 -8.733 8.898 1.00 0.00 N ATOM 301 CA MET A 678 3.364 -9.919 8.047 1.00 0.00 C ATOM 302 C MET A 678 4.785 -10.128 7.523 1.00 0.00 C ATOM 303 O MET A 678 5.637 -9.244 7.639 1.00 0.00 O ATOM 304 CB MET A 678 2.392 -9.791 6.871 1.00 0.00 C ATOM 305 CG MET A 678 1.046 -10.457 7.107 1.00 0.00 C ATOM 306 SD MET A 678 -0.041 -10.345 5.672 1.00 0.00 S ATOM 307 CE MET A 678 -1.018 -11.834 5.856 1.00 0.00 C ATOM 0 H MET A 678 3.021 -7.880 8.402 1.00 0.00 H new ATOM 0 HA MET A 678 3.093 -10.785 8.651 1.00 0.00 H new ATOM 0 HB2 MET A 678 2.231 -8.734 6.659 1.00 0.00 H new ATOM 0 HB3 MET A 678 2.851 -10.227 5.984 1.00 0.00 H new ATOM 0 HG2 MET A 678 1.202 -11.506 7.359 1.00 0.00 H new ATOM 0 HG3 MET A 678 0.560 -9.992 7.964 1.00 0.00 H new ATOM 0 HE1 MET A 678 -1.736 -11.901 5.039 1.00 0.00 H new ATOM 0 HE2 MET A 678 -0.362 -12.704 5.835 1.00 0.00 H new ATOM 0 HE3 MET A 678 -1.551 -11.804 6.806 1.00 0.00 H new ATOM 317 N GLU A 679 5.028 -11.304 6.944 1.00 0.00 N ATOM 318 CA GLU A 679 6.342 -11.640 6.397 1.00 0.00 C ATOM 319 C GLU A 679 6.393 -11.398 4.890 1.00 0.00 C ATOM 320 O GLU A 679 5.401 -11.589 4.185 1.00 0.00 O ATOM 321 CB GLU A 679 6.681 -13.103 6.692 1.00 0.00 C ATOM 322 CG GLU A 679 6.904 -13.395 8.168 1.00 0.00 C ATOM 323 CD GLU A 679 8.374 -13.504 8.526 1.00 0.00 C ATOM 324 OE1 GLU A 679 9.116 -12.527 8.295 1.00 0.00 O ATOM 325 OE2 GLU A 679 8.783 -14.569 9.036 1.00 0.00 O ATOM 0 H GLU A 679 4.330 -12.041 6.842 1.00 0.00 H new ATOM 0 HA GLU A 679 7.076 -10.992 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 679 5.873 -13.735 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 679 7.578 -13.378 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 679 6.446 -12.605 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 679 6.400 -14.325 8.431 1.00 0.00 H new ATOM 332 N ARG A 680 7.565 -10.986 4.400 1.00 0.00 N ATOM 333 CA ARG A 680 7.758 -10.727 2.973 1.00 0.00 C ATOM 334 C ARG A 680 7.588 -12.011 2.163 1.00 0.00 C ATOM 335 O ARG A 680 6.866 -12.030 1.166 1.00 0.00 O ATOM 336 CB ARG A 680 9.145 -10.128 2.717 1.00 0.00 C ATOM 337 CG ARG A 680 9.232 -9.314 1.434 1.00 0.00 C ATOM 338 CD ARG A 680 9.817 -10.131 0.290 1.00 0.00 C ATOM 339 NE ARG A 680 9.995 -9.336 -0.924 1.00 0.00 N ATOM 340 CZ ARG A 680 10.453 -9.828 -2.080 1.00 0.00 C ATOM 341 NH1 ARG A 680 10.782 -11.113 -2.184 1.00 0.00 N ATOM 342 NH2 ARG A 680 10.583 -9.033 -3.137 1.00 0.00 N ATOM 0 H ARG A 680 8.394 -10.825 4.972 1.00 0.00 H new ATOM 0 HA ARG A 680 7.001 -10.010 2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 680 9.418 -9.492 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 680 9.877 -10.934 2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 680 8.238 -8.961 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 680 9.848 -8.431 1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 680 10.778 -10.544 0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 680 9.161 -10.975 0.076 1.00 0.00 H new ATOM 0 HE ARG A 680 9.755 -8.345 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 680 10.686 -11.731 -1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 680 11.131 -11.480 -3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 680 10.333 -8.047 -3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 680 10.932 -9.409 -4.018 1.00 0.00 H new ATOM 356 N GLN A 681 8.257 -13.079 2.604 1.00 0.00 N ATOM 357 CA GLN A 681 8.181 -14.373 1.924 1.00 0.00 C ATOM 358 C GLN A 681 6.734 -14.861 1.821 1.00 0.00 C ATOM 359 O GLN A 681 6.352 -15.484 0.828 1.00 0.00 O ATOM 360 CB GLN A 681 9.040 -15.419 2.648 1.00 0.00 C ATOM 361 CG GLN A 681 8.680 -15.623 4.115 1.00 0.00 C ATOM 362 CD GLN A 681 9.651 -16.551 4.825 1.00 0.00 C ATOM 363 OE1 GLN A 681 9.717 -17.743 4.525 1.00 0.00 O ATOM 364 NE2 GLN A 681 10.414 -16.008 5.770 1.00 0.00 N ATOM 0 H GLN A 681 8.857 -13.073 3.429 1.00 0.00 H new ATOM 0 HA GLN A 681 8.569 -14.238 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 681 8.946 -16.372 2.127 1.00 0.00 H new ATOM 0 HB3 GLN A 681 10.086 -15.121 2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 681 8.668 -14.658 4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 681 7.672 -16.033 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 681 10.327 -15.015 5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 681 11.086 -16.584 6.277 1.00 0.00 H new ATOM 373 N GLN A 682 5.932 -14.575 2.849 1.00 0.00 N ATOM 374 CA GLN A 682 4.532 -14.982 2.871 1.00 0.00 C ATOM 375 C GLN A 682 3.712 -14.153 1.892 1.00 0.00 C ATOM 376 O GLN A 682 3.075 -14.693 0.988 1.00 0.00 O ATOM 377 CB GLN A 682 3.961 -14.821 4.276 1.00 0.00 C ATOM 378 CG GLN A 682 3.219 -16.050 4.782 1.00 0.00 C ATOM 379 CD GLN A 682 1.888 -16.264 4.080 1.00 0.00 C ATOM 380 OE1 GLN A 682 1.837 -16.453 2.863 1.00 0.00 O ATOM 381 NE2 GLN A 682 0.798 -16.239 4.843 1.00 0.00 N ATOM 0 H GLN A 682 6.233 -14.062 3.678 1.00 0.00 H new ATOM 0 HA GLN A 682 4.479 -16.030 2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 682 4.774 -14.590 4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 682 3.282 -13.968 4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 682 3.845 -16.931 4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 682 3.048 -15.950 5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 682 0.882 -16.080 5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -0.121 -16.379 4.424 1.00 0.00 H new ATOM 390 N THR A 683 3.728 -12.833 2.089 1.00 0.00 N ATOM 391 CA THR A 683 2.980 -11.911 1.230 1.00 0.00 C ATOM 392 C THR A 683 3.236 -12.204 -0.251 1.00 0.00 C ATOM 393 O THR A 683 2.325 -12.109 -1.076 1.00 0.00 O ATOM 394 CB THR A 683 3.356 -10.457 1.544 1.00 0.00 C ATOM 395 OG1 THR A 683 3.154 -10.167 2.918 1.00 0.00 O ATOM 396 CG2 THR A 683 2.565 -9.442 0.740 1.00 0.00 C ATOM 0 H THR A 683 4.251 -12.378 2.837 1.00 0.00 H new ATOM 0 HA THR A 683 1.919 -12.057 1.433 1.00 0.00 H new ATOM 0 HB THR A 683 4.408 -10.371 1.273 1.00 0.00 H new ATOM 0 HG1 THR A 683 3.890 -10.544 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 683 2.882 -8.435 1.012 1.00 0.00 H new ATOM 0 HG22 THR A 683 2.742 -9.603 -0.323 1.00 0.00 H new ATOM 0 HG23 THR A 683 1.502 -9.558 0.953 1.00 0.00 H new ATOM 404 N ASP A 684 4.479 -12.565 -0.577 1.00 0.00 N ATOM 405 CA ASP A 684 4.848 -12.876 -1.956 1.00 0.00 C ATOM 406 C ASP A 684 4.090 -14.107 -2.459 1.00 0.00 C ATOM 407 O ASP A 684 3.569 -14.108 -3.574 1.00 0.00 O ATOM 408 CB ASP A 684 6.359 -13.110 -2.077 1.00 0.00 C ATOM 409 CG ASP A 684 6.869 -12.923 -3.496 1.00 0.00 C ATOM 410 OD1 ASP A 684 6.390 -11.998 -4.188 1.00 0.00 O ATOM 411 OD2 ASP A 684 7.751 -13.702 -3.916 1.00 0.00 O ATOM 0 H ASP A 684 5.243 -12.648 0.094 1.00 0.00 H new ATOM 0 HA ASP A 684 4.575 -12.020 -2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 684 6.883 -12.423 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 684 6.594 -14.120 -1.741 1.00 0.00 H new ATOM 416 N ASN A 685 4.035 -15.147 -1.626 1.00 0.00 N ATOM 417 CA ASN A 685 3.340 -16.387 -1.981 1.00 0.00 C ATOM 418 C ASN A 685 1.824 -16.195 -1.957 1.00 0.00 C ATOM 419 O ASN A 685 1.111 -16.721 -2.813 1.00 0.00 O ATOM 420 CB ASN A 685 3.735 -17.521 -1.026 1.00 0.00 C ATOM 421 CG ASN A 685 5.205 -17.889 -1.122 1.00 0.00 C ATOM 422 OD1 ASN A 685 5.782 -17.908 -2.209 1.00 0.00 O ATOM 423 ND2 ASN A 685 5.818 -18.188 0.019 1.00 0.00 N ATOM 0 H ASN A 685 4.463 -15.156 -0.700 1.00 0.00 H new ATOM 0 HA ASN A 685 3.639 -16.655 -2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 685 3.506 -17.224 -0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 685 3.130 -18.401 -1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 685 6.805 -18.446 0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 685 5.301 -18.160 0.898 1.00 0.00 H new ATOM 430 N LEU A 686 1.338 -15.441 -0.973 1.00 0.00 N ATOM 431 CA LEU A 686 -0.096 -15.181 -0.838 1.00 0.00 C ATOM 432 C LEU A 686 -0.643 -14.471 -2.077 1.00 0.00 C ATOM 433 O LEU A 686 -1.692 -14.846 -2.602 1.00 0.00 O ATOM 434 CB LEU A 686 -0.372 -14.342 0.415 1.00 0.00 C ATOM 435 CG LEU A 686 -1.684 -14.664 1.139 1.00 0.00 C ATOM 436 CD1 LEU A 686 -1.651 -14.132 2.565 1.00 0.00 C ATOM 437 CD2 LEU A 686 -2.870 -14.088 0.380 1.00 0.00 C ATOM 0 H LEU A 686 1.915 -14.999 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 686 -0.604 -16.140 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 686 0.453 -14.479 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 686 -0.380 -13.289 0.133 1.00 0.00 H new ATOM 0 HG LEU A 686 -1.797 -15.747 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 686 -2.591 -14.370 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 686 -0.826 -14.594 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 686 -1.513 -13.051 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 686 -3.792 -14.327 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 686 -2.764 -13.006 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 686 -2.905 -14.518 -0.621 1.00 0.00 H new ATOM 449 N LEU A 687 0.071 -13.444 -2.540 1.00 0.00 N ATOM 450 CA LEU A 687 -0.351 -12.687 -3.719 1.00 0.00 C ATOM 451 C LEU A 687 -0.042 -13.443 -5.015 1.00 0.00 C ATOM 452 O LEU A 687 -0.686 -13.211 -6.040 1.00 0.00 O ATOM 453 CB LEU A 687 0.328 -11.315 -3.752 1.00 0.00 C ATOM 454 CG LEU A 687 -0.316 -10.232 -2.880 1.00 0.00 C ATOM 455 CD1 LEU A 687 0.404 -8.904 -3.071 1.00 0.00 C ATOM 456 CD2 LEU A 687 -1.798 -10.088 -3.203 1.00 0.00 C ATOM 0 H LEU A 687 0.941 -13.118 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 687 -1.431 -12.554 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 687 1.366 -11.436 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 687 0.344 -10.963 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 687 -0.224 -10.531 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 687 -0.064 -8.143 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 687 1.451 -9.014 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 687 0.341 -8.603 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 687 -2.234 -9.314 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 687 -1.917 -9.812 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 687 -2.304 -11.035 -3.018 1.00 0.00 H new ATOM 468 N LYS A 688 0.945 -14.343 -4.971 1.00 0.00 N ATOM 469 CA LYS A 688 1.325 -15.121 -6.150 1.00 0.00 C ATOM 470 C LYS A 688 0.125 -15.875 -6.730 1.00 0.00 C ATOM 471 O LYS A 688 0.035 -16.064 -7.943 1.00 0.00 O ATOM 472 CB LYS A 688 2.447 -16.108 -5.811 1.00 0.00 C ATOM 473 CG LYS A 688 3.696 -15.924 -6.662 1.00 0.00 C ATOM 474 CD LYS A 688 4.966 -16.133 -5.847 1.00 0.00 C ATOM 475 CE LYS A 688 6.171 -16.409 -6.738 1.00 0.00 C ATOM 476 NZ LYS A 688 6.526 -15.239 -7.596 1.00 0.00 N ATOM 0 H LYS A 688 1.492 -14.549 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 688 1.686 -14.420 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 688 2.713 -15.996 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 688 2.076 -17.125 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 688 3.677 -16.628 -7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 688 3.700 -14.922 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 688 5.158 -15.248 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 688 4.824 -16.967 -5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 688 7.026 -16.672 -6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 688 5.961 -17.270 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 7.351 -15.477 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 5.721 -15.002 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 6.754 -14.423 -6.993 1.00 0.00 H new ATOM 490 N SER A 689 -0.791 -16.304 -5.859 1.00 0.00 N ATOM 491 CA SER A 689 -1.981 -17.039 -6.290 1.00 0.00 C ATOM 492 C SER A 689 -3.256 -16.196 -6.146 1.00 0.00 C ATOM 493 O SER A 689 -4.342 -16.740 -5.932 1.00 0.00 O ATOM 494 CB SER A 689 -2.122 -18.340 -5.492 1.00 0.00 C ATOM 495 OG SER A 689 -0.954 -19.136 -5.597 1.00 0.00 O ATOM 0 H SER A 689 -0.731 -16.155 -4.852 1.00 0.00 H new ATOM 0 HA SER A 689 -1.854 -17.274 -7.347 1.00 0.00 H new ATOM 0 HB2 SER A 689 -2.314 -18.108 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 689 -2.982 -18.902 -5.857 1.00 0.00 H new ATOM 0 HG SER A 689 -1.071 -19.959 -5.077 1.00 0.00 H new ATOM 501 N HIS A 690 -3.130 -14.870 -6.264 1.00 0.00 N ATOM 502 CA HIS A 690 -4.287 -13.979 -6.147 1.00 0.00 C ATOM 503 C HIS A 690 -4.606 -13.270 -7.463 1.00 0.00 C ATOM 504 O HIS A 690 -5.407 -12.334 -7.496 1.00 0.00 O ATOM 505 CB HIS A 690 -4.049 -12.943 -5.050 1.00 0.00 C ATOM 506 CG HIS A 690 -4.971 -13.084 -3.878 1.00 0.00 C ATOM 507 ND1 HIS A 690 -6.323 -12.814 -3.943 1.00 0.00 N ATOM 508 CD2 HIS A 690 -4.725 -13.456 -2.602 1.00 0.00 C ATOM 509 CE1 HIS A 690 -6.865 -13.009 -2.755 1.00 0.00 C ATOM 510 NE2 HIS A 690 -5.917 -13.402 -1.923 1.00 0.00 N ATOM 0 H HIS A 690 -2.245 -14.394 -6.439 1.00 0.00 H new ATOM 0 HA HIS A 690 -5.144 -14.600 -5.888 1.00 0.00 H new ATOM 0 HB2 HIS A 690 -3.019 -13.025 -4.703 1.00 0.00 H new ATOM 0 HB3 HIS A 690 -4.164 -11.945 -5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 690 -3.768 -13.743 -2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 690 -7.907 -12.871 -2.506 1.00 0.00 H new ATOM 0 HE2 HIS A 690 -6.049 -13.628 -0.937 1.00 0.00 H new ATOM 519 N ALA A 691 -3.981 -13.729 -8.543 1.00 0.00 N ATOM 520 CA ALA A 691 -4.192 -13.152 -9.872 1.00 0.00 C ATOM 521 C ALA A 691 -3.731 -11.694 -9.926 1.00 0.00 C ATOM 522 O ALA A 691 -3.041 -11.218 -9.023 1.00 0.00 O ATOM 523 CB ALA A 691 -5.660 -13.265 -10.263 1.00 0.00 C ATOM 0 H ALA A 691 -3.319 -14.505 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 691 -3.591 -13.714 -10.586 1.00 0.00 H new ATOM 0 HB1 ALA A 691 -5.807 -12.833 -11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 691 -5.953 -14.315 -10.278 1.00 0.00 H new ATOM 0 HB3 ALA A 691 -6.272 -12.728 -9.538 1.00 0.00 H new ATOM 529 N SER A 692 -4.116 -10.992 -10.994 1.00 0.00 N ATOM 530 CA SER A 692 -3.745 -9.589 -11.165 1.00 0.00 C ATOM 531 C SER A 692 -4.797 -8.667 -10.556 1.00 0.00 C ATOM 532 O SER A 692 -5.959 -9.048 -10.400 1.00 0.00 O ATOM 533 CB SER A 692 -3.560 -9.256 -12.649 1.00 0.00 C ATOM 534 OG SER A 692 -2.914 -10.310 -13.341 1.00 0.00 O ATOM 0 H SER A 692 -4.683 -11.373 -11.751 1.00 0.00 H new ATOM 0 HA SER A 692 -2.800 -9.430 -10.645 1.00 0.00 H new ATOM 0 HB2 SER A 692 -4.532 -9.063 -13.103 1.00 0.00 H new ATOM 0 HB3 SER A 692 -2.974 -8.342 -12.748 1.00 0.00 H new ATOM 0 HG SER A 692 -2.812 -10.068 -14.285 1.00 0.00 H new ATOM 540 N GLY A 693 -4.376 -7.452 -10.209 1.00 0.00 N ATOM 541 CA GLY A 693 -5.285 -6.486 -9.615 1.00 0.00 C ATOM 542 C GLY A 693 -5.448 -6.681 -8.114 1.00 0.00 C ATOM 543 O GLY A 693 -6.412 -6.188 -7.522 1.00 0.00 O ATOM 0 H GLY A 693 -3.419 -7.119 -10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 693 -4.916 -5.479 -9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 693 -6.260 -6.566 -10.096 1.00 0.00 H new ATOM 547 N THR A 694 -4.502 -7.397 -7.497 1.00 0.00 N ATOM 548 CA THR A 694 -4.538 -7.655 -6.062 1.00 0.00 C ATOM 549 C THR A 694 -3.631 -6.674 -5.326 1.00 0.00 C ATOM 550 O THR A 694 -2.516 -6.403 -5.771 1.00 0.00 O ATOM 551 CB THR A 694 -4.107 -9.096 -5.764 1.00 0.00 C ATOM 552 OG1 THR A 694 -4.149 -9.892 -6.937 1.00 0.00 O ATOM 553 CG2 THR A 694 -4.967 -9.781 -4.724 1.00 0.00 C ATOM 0 H THR A 694 -3.700 -7.808 -7.976 1.00 0.00 H new ATOM 0 HA THR A 694 -5.562 -7.519 -5.713 1.00 0.00 H new ATOM 0 HB THR A 694 -3.091 -9.010 -5.378 1.00 0.00 H new ATOM 0 HG1 THR A 694 -4.813 -10.604 -6.825 1.00 0.00 H new ATOM 0 HG21 THR A 694 -4.605 -10.796 -4.564 1.00 0.00 H new ATOM 0 HG22 THR A 694 -4.917 -9.226 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 694 -6.000 -9.815 -5.071 1.00 0.00 H new ATOM 561 N TYR A 695 -4.118 -6.135 -4.210 1.00 0.00 N ATOM 562 CA TYR A 695 -3.351 -5.172 -3.422 1.00 0.00 C ATOM 563 C TYR A 695 -3.482 -5.438 -1.922 1.00 0.00 C ATOM 564 O TYR A 695 -4.413 -6.114 -1.481 1.00 0.00 O ATOM 565 CB TYR A 695 -3.816 -3.746 -3.741 1.00 0.00 C ATOM 566 CG TYR A 695 -5.208 -3.429 -3.227 1.00 0.00 C ATOM 567 CD1 TYR A 695 -6.328 -4.051 -3.765 1.00 0.00 C ATOM 568 CD2 TYR A 695 -5.399 -2.515 -2.198 1.00 0.00 C ATOM 569 CE1 TYR A 695 -7.597 -3.772 -3.294 1.00 0.00 C ATOM 570 CE2 TYR A 695 -6.663 -2.233 -1.721 1.00 0.00 C ATOM 571 CZ TYR A 695 -7.758 -2.862 -2.273 1.00 0.00 C ATOM 572 OH TYR A 695 -9.022 -2.587 -1.798 1.00 0.00 O ATOM 0 H TYR A 695 -5.040 -6.349 -3.831 1.00 0.00 H new ATOM 0 HA TYR A 695 -2.301 -5.284 -3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 695 -3.109 -3.038 -3.309 1.00 0.00 H new ATOM 0 HB3 TYR A 695 -3.795 -3.599 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 695 -6.205 -4.765 -4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 695 -4.544 -2.017 -1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 695 -8.457 -4.264 -3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 695 -6.794 -1.522 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 695 -9.028 -2.661 -0.821 1.00 0.00 H new ATOM 582 N LEU A 696 -2.545 -4.894 -1.147 1.00 0.00 N ATOM 583 CA LEU A 696 -2.548 -5.058 0.304 1.00 0.00 C ATOM 584 C LEU A 696 -1.551 -4.111 0.969 1.00 0.00 C ATOM 585 O LEU A 696 -0.539 -3.737 0.370 1.00 0.00 O ATOM 586 CB LEU A 696 -2.217 -6.506 0.680 1.00 0.00 C ATOM 587 CG LEU A 696 -0.791 -6.959 0.343 1.00 0.00 C ATOM 588 CD1 LEU A 696 0.121 -6.810 1.552 1.00 0.00 C ATOM 589 CD2 LEU A 696 -0.794 -8.398 -0.149 1.00 0.00 C ATOM 0 H LEU A 696 -1.771 -4.333 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 696 -3.548 -4.814 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -2.378 -6.632 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -2.920 -7.166 0.172 1.00 0.00 H new ATOM 0 HG LEU A 696 -0.408 -6.321 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 696 1.128 -7.137 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 696 0.148 -5.765 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -0.258 -7.421 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 696 0.225 -8.704 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -1.198 -9.047 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -1.411 -8.475 -1.044 1.00 0.00 H new ATOM 601 N ILE A 697 -1.842 -3.734 2.213 1.00 0.00 N ATOM 602 CA ILE A 697 -0.972 -2.838 2.972 1.00 0.00 C ATOM 603 C ILE A 697 -0.639 -3.442 4.337 1.00 0.00 C ATOM 604 O ILE A 697 -1.535 -3.746 5.127 1.00 0.00 O ATOM 605 CB ILE A 697 -1.616 -1.447 3.169 1.00 0.00 C ATOM 606 CG1 ILE A 697 -2.099 -0.884 1.826 1.00 0.00 C ATOM 607 CG2 ILE A 697 -0.626 -0.490 3.823 1.00 0.00 C ATOM 608 CD1 ILE A 697 -3.368 -0.066 1.930 1.00 0.00 C ATOM 0 H ILE A 697 -2.676 -4.036 2.717 1.00 0.00 H new ATOM 0 HA ILE A 697 -0.056 -2.713 2.395 1.00 0.00 H new ATOM 0 HB ILE A 697 -2.478 -1.556 3.827 1.00 0.00 H new ATOM 0 HG12 ILE A 697 -1.312 -0.264 1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 697 -2.265 -1.710 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 697 -1.095 0.485 3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 697 -0.328 -0.883 4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 697 0.254 -0.386 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 697 -3.648 0.299 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 697 -4.170 -0.688 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 697 -3.201 0.781 2.595 1.00 0.00 H new ATOM 620 N ARG A 698 0.655 -3.615 4.600 1.00 0.00 N ATOM 621 CA ARG A 698 1.119 -4.187 5.864 1.00 0.00 C ATOM 622 C ARG A 698 2.009 -3.203 6.625 1.00 0.00 C ATOM 623 O ARG A 698 2.607 -2.304 6.029 1.00 0.00 O ATOM 624 CB ARG A 698 1.876 -5.497 5.608 1.00 0.00 C ATOM 625 CG ARG A 698 3.064 -5.354 4.664 1.00 0.00 C ATOM 626 CD ARG A 698 2.939 -6.277 3.460 1.00 0.00 C ATOM 627 NE ARG A 698 4.231 -6.534 2.821 1.00 0.00 N ATOM 628 CZ ARG A 698 5.166 -7.344 3.323 1.00 0.00 C ATOM 629 NH1 ARG A 698 4.971 -7.964 4.487 1.00 0.00 N ATOM 630 NH2 ARG A 698 6.302 -7.531 2.663 1.00 0.00 N ATOM 0 H ARG A 698 1.403 -3.367 3.953 1.00 0.00 H new ATOM 0 HA ARG A 698 0.244 -4.396 6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 698 2.228 -5.893 6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 698 1.183 -6.230 5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 698 3.137 -4.321 4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 698 3.985 -5.579 5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 698 2.497 -7.223 3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 698 2.259 -5.833 2.733 1.00 0.00 H new ATOM 0 HE ARG A 698 4.429 -6.065 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 698 4.102 -7.821 5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 698 5.691 -8.581 4.863 1.00 0.00 H new ATOM 0 HH21 ARG A 698 6.459 -7.056 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 698 7.018 -8.149 3.045 1.00 0.00 H new ATOM 644 N GLU A 699 2.092 -3.380 7.946 1.00 0.00 N ATOM 645 CA GLU A 699 2.910 -2.508 8.793 1.00 0.00 C ATOM 646 C GLU A 699 4.312 -3.087 8.990 1.00 0.00 C ATOM 647 O GLU A 699 4.490 -4.305 9.045 1.00 0.00 O ATOM 648 CB GLU A 699 2.237 -2.298 10.155 1.00 0.00 C ATOM 649 CG GLU A 699 3.003 -1.354 11.076 1.00 0.00 C ATOM 650 CD GLU A 699 2.096 -0.564 12.002 1.00 0.00 C ATOM 651 OE1 GLU A 699 1.405 -1.188 12.835 1.00 0.00 O ATOM 652 OE2 GLU A 699 2.083 0.682 11.899 1.00 0.00 O ATOM 0 H GLU A 699 1.603 -4.119 8.452 1.00 0.00 H new ATOM 0 HA GLU A 699 3.003 -1.546 8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 699 1.233 -1.903 9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 699 2.126 -3.263 10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 699 3.709 -1.931 11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 699 3.589 -0.661 10.472 1.00 0.00 H new ATOM 659 N ARG A 700 5.301 -2.200 9.103 1.00 0.00 N ATOM 660 CA ARG A 700 6.688 -2.611 9.300 1.00 0.00 C ATOM 661 C ARG A 700 7.405 -1.680 10.280 1.00 0.00 C ATOM 662 O ARG A 700 7.281 -0.458 10.190 1.00 0.00 O ATOM 663 CB ARG A 700 7.428 -2.635 7.961 1.00 0.00 C ATOM 664 CG ARG A 700 7.992 -4.002 7.605 1.00 0.00 C ATOM 665 CD ARG A 700 7.930 -4.257 6.106 1.00 0.00 C ATOM 666 NE ARG A 700 8.907 -5.258 5.678 1.00 0.00 N ATOM 667 CZ ARG A 700 10.202 -4.999 5.476 1.00 0.00 C ATOM 668 NH1 ARG A 700 10.681 -3.770 5.655 1.00 0.00 N ATOM 669 NH2 ARG A 700 11.019 -5.975 5.093 1.00 0.00 N ATOM 0 H ARG A 700 5.165 -1.190 9.061 1.00 0.00 H new ATOM 0 HA ARG A 700 6.685 -3.615 9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 700 6.747 -2.315 7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 700 8.242 -1.911 7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 700 9.026 -4.070 7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 700 7.432 -4.776 8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 700 6.928 -4.591 5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 700 8.110 -3.324 5.572 1.00 0.00 H new ATOM 0 HE ARG A 700 8.580 -6.212 5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 700 10.058 -3.018 5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 700 11.671 -3.581 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 700 10.657 -6.918 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 700 12.008 -5.781 4.938 1.00 0.00 H new ATOM 683 N PRO A 701 8.167 -2.253 11.234 1.00 0.00 N ATOM 684 CA PRO A 701 8.906 -1.476 12.237 1.00 0.00 C ATOM 685 C PRO A 701 10.129 -0.770 11.645 1.00 0.00 C ATOM 686 O PRO A 701 11.093 -1.418 11.235 1.00 0.00 O ATOM 687 CB PRO A 701 9.338 -2.535 13.256 1.00 0.00 C ATOM 688 CG PRO A 701 9.417 -3.804 12.477 1.00 0.00 C ATOM 689 CD PRO A 701 8.362 -3.708 11.408 1.00 0.00 C ATOM 0 HA PRO A 701 8.299 -0.677 12.662 1.00 0.00 H new ATOM 0 HB2 PRO A 701 10.300 -2.285 13.703 1.00 0.00 H new ATOM 0 HB3 PRO A 701 8.619 -2.616 14.071 1.00 0.00 H new ATOM 0 HG2 PRO A 701 10.406 -3.930 12.037 1.00 0.00 H new ATOM 0 HG3 PRO A 701 9.242 -4.667 13.120 1.00 0.00 H new ATOM 0 HD2 PRO A 701 8.687 -4.182 10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 701 7.439 -4.202 11.712 1.00 0.00 H new ATOM 697 N ALA A 702 10.079 0.564 11.603 1.00 0.00 N ATOM 698 CA ALA A 702 11.181 1.361 11.060 1.00 0.00 C ATOM 699 C ALA A 702 11.056 2.833 11.457 1.00 0.00 C ATOM 700 O ALA A 702 10.127 3.216 12.173 1.00 0.00 O ATOM 701 CB ALA A 702 11.232 1.224 9.544 1.00 0.00 C ATOM 0 H ALA A 702 9.288 1.114 11.938 1.00 0.00 H new ATOM 0 HA ALA A 702 12.110 0.980 11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 702 12.055 1.821 9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 702 11.384 0.178 9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 702 10.293 1.575 9.115 1.00 0.00 H new ATOM 707 N GLU A 703 11.999 3.656 10.988 1.00 0.00 N ATOM 708 CA GLU A 703 11.996 5.085 11.295 1.00 0.00 C ATOM 709 C GLU A 703 11.417 5.899 10.136 1.00 0.00 C ATOM 710 O GLU A 703 10.384 6.553 10.285 1.00 0.00 O ATOM 711 CB GLU A 703 13.414 5.570 11.614 1.00 0.00 C ATOM 712 CG GLU A 703 13.473 6.580 12.750 1.00 0.00 C ATOM 713 CD GLU A 703 14.832 6.630 13.424 1.00 0.00 C ATOM 714 OE1 GLU A 703 15.811 7.031 12.759 1.00 0.00 O ATOM 715 OE2 GLU A 703 14.918 6.268 14.617 1.00 0.00 O ATOM 0 H GLU A 703 12.772 3.355 10.395 1.00 0.00 H new ATOM 0 HA GLU A 703 11.363 5.234 12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 703 14.033 4.711 11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 703 13.846 6.018 10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 703 13.228 7.569 12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 703 12.714 6.330 13.491 1.00 0.00 H new ATOM 722 N ALA A 704 12.086 5.853 8.982 1.00 0.00 N ATOM 723 CA ALA A 704 11.633 6.588 7.800 1.00 0.00 C ATOM 724 C ALA A 704 10.341 5.990 7.246 1.00 0.00 C ATOM 725 O ALA A 704 9.383 6.712 6.963 1.00 0.00 O ATOM 726 CB ALA A 704 12.716 6.601 6.728 1.00 0.00 C ATOM 0 H ALA A 704 12.941 5.316 8.841 1.00 0.00 H new ATOM 0 HA ALA A 704 11.430 7.616 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 704 12.360 7.152 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 704 13.611 7.083 7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 704 12.953 5.577 6.437 1.00 0.00 H new ATOM 732 N GLU A 705 10.325 4.665 7.093 1.00 0.00 N ATOM 733 CA GLU A 705 9.155 3.962 6.573 1.00 0.00 C ATOM 734 C GLU A 705 8.192 3.596 7.700 1.00 0.00 C ATOM 735 O GLU A 705 8.611 3.143 8.767 1.00 0.00 O ATOM 736 CB GLU A 705 9.588 2.699 5.820 1.00 0.00 C ATOM 737 CG GLU A 705 8.659 2.324 4.674 1.00 0.00 C ATOM 738 CD GLU A 705 8.589 0.825 4.428 1.00 0.00 C ATOM 739 OE1 GLU A 705 8.790 0.048 5.385 1.00 0.00 O ATOM 740 OE2 GLU A 705 8.330 0.428 3.275 1.00 0.00 O ATOM 0 H GLU A 705 11.112 4.058 7.323 1.00 0.00 H new ATOM 0 HA GLU A 705 8.637 4.628 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 705 10.594 2.847 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 705 9.639 1.867 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 705 7.658 2.698 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 705 8.996 2.820 3.764 1.00 0.00 H new ATOM 747 N ARG A 706 6.897 3.794 7.452 1.00 0.00 N ATOM 748 CA ARG A 706 5.866 3.483 8.443 1.00 0.00 C ATOM 749 C ARG A 706 5.036 2.272 8.012 1.00 0.00 C ATOM 750 O ARG A 706 4.688 1.426 8.839 1.00 0.00 O ATOM 751 CB ARG A 706 4.950 4.694 8.660 1.00 0.00 C ATOM 752 CG ARG A 706 4.588 4.935 10.119 1.00 0.00 C ATOM 753 CD ARG A 706 3.567 3.922 10.623 1.00 0.00 C ATOM 754 NE ARG A 706 3.114 4.227 11.982 1.00 0.00 N ATOM 755 CZ ARG A 706 2.191 5.150 12.276 1.00 0.00 C ATOM 756 NH1 ARG A 706 1.627 5.872 11.311 1.00 0.00 N ATOM 757 NH2 ARG A 706 1.836 5.353 13.540 1.00 0.00 N ATOM 0 H ARG A 706 6.537 4.168 6.574 1.00 0.00 H new ATOM 0 HA ARG A 706 6.365 3.241 9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 706 5.440 5.584 8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 706 4.034 4.553 8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 706 5.488 4.879 10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 706 4.187 5.942 10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 706 2.710 3.907 9.950 1.00 0.00 H new ATOM 0 HD3 ARG A 706 4.006 2.925 10.603 1.00 0.00 H new ATOM 0 HE ARG A 706 3.528 3.703 12.753 1.00 0.00 H new ATOM 0 HH11 ARG A 706 1.898 5.724 10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 706 0.924 6.574 11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 706 2.267 4.806 14.285 1.00 0.00 H new ATOM 0 HH22 ARG A 706 1.133 6.056 13.765 1.00 0.00 H new ATOM 771 N PHE A 707 4.719 2.197 6.717 1.00 0.00 N ATOM 772 CA PHE A 707 3.926 1.090 6.182 1.00 0.00 C ATOM 773 C PHE A 707 4.501 0.582 4.857 1.00 0.00 C ATOM 774 O PHE A 707 5.397 1.201 4.281 1.00 0.00 O ATOM 775 CB PHE A 707 2.472 1.527 5.982 1.00 0.00 C ATOM 776 CG PHE A 707 1.605 1.327 7.194 1.00 0.00 C ATOM 777 CD1 PHE A 707 0.939 0.128 7.398 1.00 0.00 C ATOM 778 CD2 PHE A 707 1.453 2.340 8.128 1.00 0.00 C ATOM 779 CE1 PHE A 707 0.140 -0.056 8.509 1.00 0.00 C ATOM 780 CE2 PHE A 707 0.656 2.160 9.242 1.00 0.00 C ATOM 781 CZ PHE A 707 -0.001 0.962 9.434 1.00 0.00 C ATOM 0 H PHE A 707 4.999 2.889 6.022 1.00 0.00 H new ATOM 0 HA PHE A 707 3.963 0.275 6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 707 2.454 2.581 5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 707 2.047 0.970 5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 707 1.046 -0.671 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 707 1.963 3.281 7.983 1.00 0.00 H new ATOM 0 HE1 PHE A 707 -0.374 -0.994 8.655 1.00 0.00 H new ATOM 0 HE2 PHE A 707 0.547 2.957 9.963 1.00 0.00 H new ATOM 0 HZ PHE A 707 -0.624 0.820 10.305 1.00 0.00 H new ATOM 791 N ALA A 708 3.977 -0.551 4.383 1.00 0.00 N ATOM 792 CA ALA A 708 4.430 -1.149 3.128 1.00 0.00 C ATOM 793 C ALA A 708 3.254 -1.669 2.300 1.00 0.00 C ATOM 794 O ALA A 708 2.394 -2.387 2.811 1.00 0.00 O ATOM 795 CB ALA A 708 5.415 -2.273 3.412 1.00 0.00 C ATOM 0 H ALA A 708 3.237 -1.073 4.852 1.00 0.00 H new ATOM 0 HA ALA A 708 4.929 -0.374 2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 708 5.747 -2.712 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 708 6.275 -1.875 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 708 4.929 -3.038 4.018 1.00 0.00 H new ATOM 801 N ILE A 709 3.223 -1.296 1.020 1.00 0.00 N ATOM 802 CA ILE A 709 2.151 -1.719 0.119 1.00 0.00 C ATOM 803 C ILE A 709 2.650 -2.746 -0.899 1.00 0.00 C ATOM 804 O ILE A 709 3.791 -2.674 -1.357 1.00 0.00 O ATOM 805 CB ILE A 709 1.543 -0.515 -0.636 1.00 0.00 C ATOM 806 CG1 ILE A 709 1.258 0.639 0.334 1.00 0.00 C ATOM 807 CG2 ILE A 709 0.270 -0.927 -1.365 1.00 0.00 C ATOM 808 CD1 ILE A 709 0.675 1.864 -0.334 1.00 0.00 C ATOM 0 H ILE A 709 3.928 -0.702 0.584 1.00 0.00 H new ATOM 0 HA ILE A 709 1.382 -2.177 0.741 1.00 0.00 H new ATOM 0 HB ILE A 709 2.266 -0.173 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 709 0.568 0.293 1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 709 2.184 0.916 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 709 -0.143 -0.066 -1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 709 0.500 -1.714 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 709 -0.459 -1.296 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 709 0.500 2.638 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 709 1.373 2.236 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 709 -0.268 1.603 -0.813 1.00 0.00 H new ATOM 820 N SER A 710 1.785 -3.698 -1.249 1.00 0.00 N ATOM 821 CA SER A 710 2.127 -4.744 -2.214 1.00 0.00 C ATOM 822 C SER A 710 0.983 -4.972 -3.201 1.00 0.00 C ATOM 823 O SER A 710 -0.133 -5.305 -2.800 1.00 0.00 O ATOM 824 CB SER A 710 2.453 -6.050 -1.483 1.00 0.00 C ATOM 825 OG SER A 710 3.040 -6.998 -2.359 1.00 0.00 O ATOM 0 H SER A 710 0.838 -3.767 -0.877 1.00 0.00 H new ATOM 0 HA SER A 710 3.004 -4.417 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 710 3.133 -5.846 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 710 1.542 -6.465 -1.052 1.00 0.00 H new ATOM 0 HG SER A 710 3.919 -7.262 -2.014 1.00 0.00 H new ATOM 831 N ILE A 711 1.267 -4.794 -4.494 1.00 0.00 N ATOM 832 CA ILE A 711 0.260 -4.983 -5.538 1.00 0.00 C ATOM 833 C ILE A 711 0.729 -5.984 -6.598 1.00 0.00 C ATOM 834 O ILE A 711 1.898 -5.998 -6.984 1.00 0.00 O ATOM 835 CB ILE A 711 -0.111 -3.644 -6.216 1.00 0.00 C ATOM 836 CG1 ILE A 711 -1.213 -3.850 -7.264 1.00 0.00 C ATOM 837 CG2 ILE A 711 1.116 -2.996 -6.846 1.00 0.00 C ATOM 838 CD1 ILE A 711 -2.314 -2.813 -7.199 1.00 0.00 C ATOM 0 H ILE A 711 2.186 -4.519 -4.841 1.00 0.00 H new ATOM 0 HA ILE A 711 -0.627 -5.385 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 711 -0.493 -2.972 -5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 711 -0.766 -3.831 -8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 711 -1.649 -4.840 -7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 711 0.830 -2.056 -7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 711 1.862 -2.803 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 711 1.535 -3.665 -7.598 1.00 0.00 H new ATOM 0 HD11 ILE A 711 -3.057 -3.022 -7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 711 -2.788 -2.847 -6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 711 -1.891 -1.822 -7.363 1.00 0.00 H new ATOM 850 N LYS A 712 -0.201 -6.821 -7.060 1.00 0.00 N ATOM 851 CA LYS A 712 0.094 -7.834 -8.073 1.00 0.00 C ATOM 852 C LYS A 712 -0.309 -7.352 -9.468 1.00 0.00 C ATOM 853 O LYS A 712 -1.476 -7.042 -9.714 1.00 0.00 O ATOM 854 CB LYS A 712 -0.639 -9.138 -7.739 1.00 0.00 C ATOM 855 CG LYS A 712 -0.237 -10.313 -8.619 1.00 0.00 C ATOM 856 CD LYS A 712 1.163 -10.808 -8.294 1.00 0.00 C ATOM 857 CE LYS A 712 1.550 -12.001 -9.160 1.00 0.00 C ATOM 858 NZ LYS A 712 0.583 -13.130 -9.030 1.00 0.00 N ATOM 0 H LYS A 712 -1.171 -6.816 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 712 1.169 -8.013 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -0.448 -9.395 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -1.712 -8.975 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -0.950 -11.127 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -0.283 -10.015 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 712 1.879 -10.000 -8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 712 1.216 -11.089 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 712 1.603 -11.689 -10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 712 2.546 -12.344 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 1.068 -14.028 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 0.202 -13.151 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 -0.196 -12.999 -9.706 1.00 0.00 H new ATOM 872 N PHE A 713 0.666 -7.294 -10.378 1.00 0.00 N ATOM 873 CA PHE A 713 0.411 -6.853 -11.748 1.00 0.00 C ATOM 874 C PHE A 713 1.368 -7.535 -12.727 1.00 0.00 C ATOM 875 O PHE A 713 2.571 -7.613 -12.474 1.00 0.00 O ATOM 876 CB PHE A 713 0.551 -5.331 -11.849 1.00 0.00 C ATOM 877 CG PHE A 713 0.017 -4.749 -13.131 1.00 0.00 C ATOM 878 CD1 PHE A 713 -1.199 -5.170 -13.650 1.00 0.00 C ATOM 879 CD2 PHE A 713 0.733 -3.781 -13.816 1.00 0.00 C ATOM 880 CE1 PHE A 713 -1.688 -4.637 -14.827 1.00 0.00 C ATOM 881 CE2 PHE A 713 0.248 -3.245 -14.993 1.00 0.00 C ATOM 882 CZ PHE A 713 -0.963 -3.672 -15.500 1.00 0.00 C ATOM 0 H PHE A 713 1.636 -7.546 -10.190 1.00 0.00 H new ATOM 0 HA PHE A 713 -0.608 -7.134 -12.012 1.00 0.00 H new ATOM 0 HB2 PHE A 713 0.029 -4.872 -11.009 1.00 0.00 H new ATOM 0 HB3 PHE A 713 1.604 -5.066 -11.753 1.00 0.00 H new ATOM 0 HD1 PHE A 713 -1.770 -5.923 -13.128 1.00 0.00 H new ATOM 0 HD2 PHE A 713 1.681 -3.442 -13.425 1.00 0.00 H new ATOM 0 HE1 PHE A 713 -2.636 -4.974 -15.221 1.00 0.00 H new ATOM 0 HE2 PHE A 713 0.817 -2.491 -15.517 1.00 0.00 H new ATOM 0 HZ PHE A 713 -1.343 -3.253 -16.420 1.00 0.00 H new ATOM 892 N ASN A 714 0.819 -8.032 -13.840 1.00 0.00 N ATOM 893 CA ASN A 714 1.613 -8.719 -14.863 1.00 0.00 C ATOM 894 C ASN A 714 2.336 -9.928 -14.264 1.00 0.00 C ATOM 895 O ASN A 714 3.518 -10.157 -14.528 1.00 0.00 O ATOM 896 CB ASN A 714 2.621 -7.758 -15.504 1.00 0.00 C ATOM 897 CG ASN A 714 2.015 -6.951 -16.639 1.00 0.00 C ATOM 898 OD1 ASN A 714 2.410 -7.097 -17.795 1.00 0.00 O ATOM 899 ND2 ASN A 714 1.052 -6.095 -16.315 1.00 0.00 N ATOM 0 H ASN A 714 -0.176 -7.971 -14.056 1.00 0.00 H new ATOM 0 HA ASN A 714 0.933 -9.072 -15.638 1.00 0.00 H new ATOM 0 HB2 ASN A 714 3.004 -7.078 -14.743 1.00 0.00 H new ATOM 0 HB3 ASN A 714 3.471 -8.327 -15.880 1.00 0.00 H new ATOM 0 HD21 ASN A 714 0.610 -5.527 -17.038 1.00 0.00 H new ATOM 0 HD22 ASN A 714 0.755 -6.006 -15.343 1.00 0.00 H new ATOM 906 N ASP A 715 1.608 -10.695 -13.446 1.00 0.00 N ATOM 907 CA ASP A 715 2.156 -11.881 -12.787 1.00 0.00 C ATOM 908 C ASP A 715 3.414 -11.542 -11.978 1.00 0.00 C ATOM 909 O ASP A 715 4.308 -12.375 -11.824 1.00 0.00 O ATOM 910 CB ASP A 715 2.469 -12.968 -13.816 1.00 0.00 C ATOM 911 CG ASP A 715 2.234 -14.361 -13.264 1.00 0.00 C ATOM 912 OD1 ASP A 715 1.074 -14.672 -12.916 1.00 0.00 O ATOM 913 OD2 ASP A 715 3.207 -15.137 -13.172 1.00 0.00 O ATOM 0 H ASP A 715 0.629 -10.512 -13.224 1.00 0.00 H new ATOM 0 HA ASP A 715 1.401 -12.253 -12.095 1.00 0.00 H new ATOM 0 HB2 ASP A 715 1.849 -12.819 -14.700 1.00 0.00 H new ATOM 0 HB3 ASP A 715 3.507 -12.876 -14.136 1.00 0.00 H new ATOM 918 N GLU A 716 3.471 -10.316 -11.458 1.00 0.00 N ATOM 919 CA GLU A 716 4.608 -9.863 -10.663 1.00 0.00 C ATOM 920 C GLU A 716 4.131 -9.121 -9.417 1.00 0.00 C ATOM 921 O GLU A 716 3.325 -8.191 -9.512 1.00 0.00 O ATOM 922 CB GLU A 716 5.513 -8.953 -11.498 1.00 0.00 C ATOM 923 CG GLU A 716 6.601 -9.694 -12.267 1.00 0.00 C ATOM 924 CD GLU A 716 7.769 -8.800 -12.651 1.00 0.00 C ATOM 925 OE1 GLU A 716 8.141 -7.921 -11.845 1.00 0.00 O ATOM 926 OE2 GLU A 716 8.316 -8.982 -13.760 1.00 0.00 O ATOM 0 H GLU A 716 2.738 -9.617 -11.575 1.00 0.00 H new ATOM 0 HA GLU A 716 5.177 -10.739 -10.351 1.00 0.00 H new ATOM 0 HB2 GLU A 716 4.898 -8.397 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 716 5.982 -8.222 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 716 6.968 -10.522 -11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 716 6.170 -10.127 -13.169 1.00 0.00 H new ATOM 933 N VAL A 717 4.627 -9.536 -8.251 1.00 0.00 N ATOM 934 CA VAL A 717 4.247 -8.908 -6.986 1.00 0.00 C ATOM 935 C VAL A 717 5.128 -7.690 -6.698 1.00 0.00 C ATOM 936 O VAL A 717 6.273 -7.829 -6.261 1.00 0.00 O ATOM 937 CB VAL A 717 4.348 -9.902 -5.808 1.00 0.00 C ATOM 938 CG1 VAL A 717 3.809 -9.275 -4.531 1.00 0.00 C ATOM 939 CG2 VAL A 717 3.608 -11.198 -6.125 1.00 0.00 C ATOM 0 H VAL A 717 5.292 -10.304 -8.157 1.00 0.00 H new ATOM 0 HA VAL A 717 3.209 -8.589 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 717 5.400 -10.142 -5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 717 3.889 -9.991 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 717 4.388 -8.383 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 717 2.764 -9.001 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 717 3.694 -11.882 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 717 2.556 -10.980 -6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 717 4.045 -11.659 -7.011 1.00 0.00 H new ATOM 949 N LYS A 718 4.586 -6.497 -6.947 1.00 0.00 N ATOM 950 CA LYS A 718 5.318 -5.252 -6.718 1.00 0.00 C ATOM 951 C LYS A 718 5.091 -4.731 -5.301 1.00 0.00 C ATOM 952 O LYS A 718 4.124 -5.113 -4.638 1.00 0.00 O ATOM 953 CB LYS A 718 4.898 -4.191 -7.739 1.00 0.00 C ATOM 954 CG LYS A 718 5.777 -4.159 -8.979 1.00 0.00 C ATOM 955 CD LYS A 718 5.352 -5.209 -9.993 1.00 0.00 C ATOM 956 CE LYS A 718 6.237 -5.180 -11.231 1.00 0.00 C ATOM 957 NZ LYS A 718 5.444 -5.257 -12.493 1.00 0.00 N ATOM 0 H LYS A 718 3.641 -6.367 -7.308 1.00 0.00 H new ATOM 0 HA LYS A 718 6.381 -5.462 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 718 3.867 -4.376 -8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 718 4.920 -3.211 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 718 5.727 -3.170 -9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 718 6.816 -4.327 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 718 5.397 -6.197 -9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 718 4.315 -5.038 -10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 718 6.829 -4.265 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 718 6.939 -6.013 -11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 6.088 -5.234 -13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 4.899 -6.142 -12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 4.792 -4.448 -12.543 1.00 0.00 H new ATOM 971 N HIS A 719 5.992 -3.863 -4.841 1.00 0.00 N ATOM 972 CA HIS A 719 5.896 -3.293 -3.499 1.00 0.00 C ATOM 973 C HIS A 719 6.198 -1.794 -3.513 1.00 0.00 C ATOM 974 O HIS A 719 7.113 -1.344 -4.203 1.00 0.00 O ATOM 975 CB HIS A 719 6.863 -4.001 -2.547 1.00 0.00 C ATOM 976 CG HIS A 719 6.596 -5.466 -2.395 1.00 0.00 C ATOM 977 ND1 HIS A 719 6.875 -6.504 -3.217 1.00 0.00 N flip ATOM 978 CD2 HIS A 719 5.981 -6.010 -1.288 1.00 0.00 C flip ATOM 979 CE1 HIS A 719 6.429 -7.644 -2.597 1.00 0.00 C flip ATOM 980 NE2 HIS A 719 5.893 -7.320 -1.435 1.00 0.00 N flip ATOM 0 H HIS A 719 6.796 -3.540 -5.379 1.00 0.00 H new ATOM 0 HA HIS A 719 4.874 -3.439 -3.150 1.00 0.00 H new ATOM 0 HB2 HIS A 719 7.882 -3.862 -2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 719 6.806 -3.527 -1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 719 5.626 -5.452 -0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 719 6.504 -8.645 -2.995 1.00 0.00 H new ATOM 0 HE2 HIS A 719 5.481 -7.970 -0.765 1.00 0.00 H new ATOM 989 N ILE A 720 5.432 -1.028 -2.733 1.00 0.00 N ATOM 990 CA ILE A 720 5.619 0.420 -2.639 1.00 0.00 C ATOM 991 C ILE A 720 5.777 0.849 -1.179 1.00 0.00 C ATOM 992 O ILE A 720 4.847 0.711 -0.380 1.00 0.00 O ATOM 993 CB ILE A 720 4.435 1.196 -3.264 1.00 0.00 C ATOM 994 CG1 ILE A 720 4.145 0.695 -4.683 1.00 0.00 C ATOM 995 CG2 ILE A 720 4.727 2.692 -3.278 1.00 0.00 C ATOM 996 CD1 ILE A 720 2.678 0.741 -5.051 1.00 0.00 C ATOM 0 H ILE A 720 4.673 -1.389 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 720 6.525 0.658 -3.197 1.00 0.00 H new ATOM 0 HB ILE A 720 3.551 1.020 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 720 4.709 1.298 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 720 4.503 -0.330 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 720 3.884 3.223 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 720 4.881 3.042 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 720 5.625 2.882 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 720 2.546 0.372 -6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 720 2.110 0.116 -4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 720 2.319 1.768 -4.988 1.00 0.00 H new ATOM 1008 N LYS A 721 6.961 1.359 -0.834 1.00 0.00 N ATOM 1009 CA LYS A 721 7.242 1.805 0.533 1.00 0.00 C ATOM 1010 C LYS A 721 6.409 3.035 0.903 1.00 0.00 C ATOM 1011 O LYS A 721 6.249 3.952 0.095 1.00 0.00 O ATOM 1012 CB LYS A 721 8.740 2.103 0.707 1.00 0.00 C ATOM 1013 CG LYS A 721 9.301 3.098 -0.304 1.00 0.00 C ATOM 1014 CD LYS A 721 10.347 2.459 -1.210 1.00 0.00 C ATOM 1015 CE LYS A 721 11.562 1.979 -0.423 1.00 0.00 C ATOM 1016 NZ LYS A 721 12.690 2.953 -0.476 1.00 0.00 N ATOM 0 H LYS A 721 7.741 1.474 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 721 6.963 0.996 1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 721 8.908 2.490 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 721 9.296 1.169 0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 721 8.488 3.495 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 721 9.745 3.941 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 721 9.902 1.617 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 721 10.664 3.180 -1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 721 11.277 1.812 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 721 11.894 1.020 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 13.493 2.584 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 12.981 3.093 -1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 12.383 3.861 -0.073 1.00 0.00 H new ATOM 1030 N VAL A 722 5.881 3.043 2.129 1.00 0.00 N ATOM 1031 CA VAL A 722 5.062 4.154 2.614 1.00 0.00 C ATOM 1032 C VAL A 722 5.852 5.035 3.579 1.00 0.00 C ATOM 1033 O VAL A 722 6.309 4.570 4.625 1.00 0.00 O ATOM 1034 CB VAL A 722 3.783 3.658 3.322 1.00 0.00 C ATOM 1035 CG1 VAL A 722 2.859 4.824 3.643 1.00 0.00 C ATOM 1036 CG2 VAL A 722 3.063 2.616 2.476 1.00 0.00 C ATOM 0 H VAL A 722 6.007 2.290 2.805 1.00 0.00 H new ATOM 0 HA VAL A 722 4.775 4.735 1.738 1.00 0.00 H new ATOM 0 HB VAL A 722 4.077 3.187 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 722 1.964 4.452 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 722 3.374 5.527 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 722 2.577 5.329 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 722 2.165 2.282 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 722 2.785 3.054 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 722 3.723 1.765 2.308 1.00 0.00 H new ATOM 1046 N VAL A 723 6.008 6.308 3.219 1.00 0.00 N ATOM 1047 CA VAL A 723 6.744 7.260 4.045 1.00 0.00 C ATOM 1048 C VAL A 723 5.812 8.318 4.637 1.00 0.00 C ATOM 1049 O VAL A 723 5.040 8.954 3.915 1.00 0.00 O ATOM 1050 CB VAL A 723 7.854 7.956 3.230 1.00 0.00 C ATOM 1051 CG1 VAL A 723 8.728 8.816 4.131 1.00 0.00 C ATOM 1052 CG2 VAL A 723 8.689 6.924 2.480 1.00 0.00 C ATOM 0 H VAL A 723 5.632 6.704 2.357 1.00 0.00 H new ATOM 0 HA VAL A 723 7.198 6.695 4.859 1.00 0.00 H new ATOM 0 HB VAL A 723 7.384 8.612 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 723 9.503 9.297 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 723 8.115 9.578 4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 723 9.192 8.190 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 723 9.468 7.431 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 723 9.149 6.240 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 723 8.049 6.363 1.800 1.00 0.00 H new ATOM 1062 N GLU A 724 5.890 8.502 5.956 1.00 0.00 N ATOM 1063 CA GLU A 724 5.058 9.481 6.656 1.00 0.00 C ATOM 1064 C GLU A 724 5.922 10.508 7.394 1.00 0.00 C ATOM 1065 O GLU A 724 6.791 10.141 8.186 1.00 0.00 O ATOM 1066 CB GLU A 724 4.127 8.768 7.640 1.00 0.00 C ATOM 1067 CG GLU A 724 2.908 9.589 8.035 1.00 0.00 C ATOM 1068 CD GLU A 724 2.054 8.906 9.091 1.00 0.00 C ATOM 1069 OE1 GLU A 724 2.620 8.211 9.962 1.00 0.00 O ATOM 1070 OE2 GLU A 724 0.819 9.070 9.047 1.00 0.00 O ATOM 0 H GLU A 724 6.524 7.983 6.563 1.00 0.00 H new ATOM 0 HA GLU A 724 4.458 10.012 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 724 3.794 7.830 7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 724 4.689 8.513 8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 724 3.235 10.559 8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 724 2.301 9.778 7.150 1.00 0.00 H new ATOM 1077 N LYS A 725 5.675 11.792 7.127 1.00 0.00 N ATOM 1078 CA LYS A 725 6.431 12.875 7.761 1.00 0.00 C ATOM 1079 C LYS A 725 5.619 14.174 7.779 1.00 0.00 C ATOM 1080 O LYS A 725 4.718 14.358 6.959 1.00 0.00 O ATOM 1081 CB LYS A 725 7.755 13.093 7.023 1.00 0.00 C ATOM 1082 CG LYS A 725 8.963 12.526 7.754 1.00 0.00 C ATOM 1083 CD LYS A 725 9.539 11.309 7.042 1.00 0.00 C ATOM 1084 CE LYS A 725 10.773 11.668 6.224 1.00 0.00 C ATOM 1085 NZ LYS A 725 10.480 12.700 5.187 1.00 0.00 N ATOM 0 H LYS A 725 4.957 12.108 6.475 1.00 0.00 H new ATOM 0 HA LYS A 725 6.638 12.588 8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 725 7.690 12.635 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 725 7.903 14.162 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 725 9.731 13.295 7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 725 8.677 12.251 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 725 9.798 10.546 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 725 8.781 10.877 6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 725 11.554 12.036 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 725 11.161 10.771 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 11.314 12.827 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 9.673 12.391 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 10.249 13.602 5.650 1.00 0.00 H new ATOM 1099 N ASP A 726 5.944 15.069 8.718 1.00 0.00 N ATOM 1100 CA ASP A 726 5.242 16.351 8.847 1.00 0.00 C ATOM 1101 C ASP A 726 3.747 16.138 9.100 1.00 0.00 C ATOM 1102 O ASP A 726 2.917 16.952 8.697 1.00 0.00 O ATOM 1103 CB ASP A 726 5.442 17.203 7.587 1.00 0.00 C ATOM 1104 CG ASP A 726 6.904 17.490 7.302 1.00 0.00 C ATOM 1105 OD1 ASP A 726 7.592 16.594 6.769 1.00 0.00 O ATOM 1106 OD2 ASP A 726 7.360 18.608 7.615 1.00 0.00 O ATOM 0 H ASP A 726 6.689 14.929 9.400 1.00 0.00 H new ATOM 0 HA ASP A 726 5.665 16.877 9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 726 5.003 16.689 6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 726 4.906 18.145 7.701 1.00 0.00 H new ATOM 1111 N ASN A 727 3.413 15.028 9.764 1.00 0.00 N ATOM 1112 CA ASN A 727 2.025 14.684 10.063 1.00 0.00 C ATOM 1113 C ASN A 727 1.250 14.355 8.781 1.00 0.00 C ATOM 1114 O ASN A 727 0.019 14.401 8.763 1.00 0.00 O ATOM 1115 CB ASN A 727 1.328 15.822 10.823 1.00 0.00 C ATOM 1116 CG ASN A 727 2.165 16.380 11.962 1.00 0.00 C ATOM 1117 OD1 ASN A 727 2.482 17.570 11.987 1.00 0.00 O ATOM 1118 ND2 ASN A 727 2.522 15.529 12.919 1.00 0.00 N ATOM 0 H ASN A 727 4.093 14.349 10.106 1.00 0.00 H new ATOM 0 HA ASN A 727 2.036 13.798 10.698 1.00 0.00 H new ATOM 0 HB2 ASN A 727 1.093 16.626 10.125 1.00 0.00 H new ATOM 0 HB3 ASN A 727 0.381 15.458 11.221 1.00 0.00 H new ATOM 0 HD21 ASN A 727 3.078 15.855 13.710 1.00 0.00 H new ATOM 0 HD22 ASN A 727 2.240 14.550 12.863 1.00 0.00 H new ATOM 1125 N TRP A 728 1.977 14.008 7.714 1.00 0.00 N ATOM 1126 CA TRP A 728 1.356 13.665 6.433 1.00 0.00 C ATOM 1127 C TRP A 728 1.856 12.306 5.941 1.00 0.00 C ATOM 1128 O TRP A 728 2.991 11.917 6.214 1.00 0.00 O ATOM 1129 CB TRP A 728 1.642 14.742 5.375 1.00 0.00 C ATOM 1130 CG TRP A 728 1.387 16.149 5.839 1.00 0.00 C ATOM 1131 CD1 TRP A 728 2.269 17.194 5.819 1.00 0.00 C ATOM 1132 CD2 TRP A 728 0.168 16.668 6.384 1.00 0.00 C ATOM 1133 NE1 TRP A 728 1.676 18.325 6.326 1.00 0.00 N ATOM 1134 CE2 TRP A 728 0.385 18.028 6.678 1.00 0.00 C ATOM 1135 CE3 TRP A 728 -1.087 16.114 6.654 1.00 0.00 C ATOM 1136 CZ2 TRP A 728 -0.605 18.839 7.230 1.00 0.00 C ATOM 1137 CZ3 TRP A 728 -2.068 16.920 7.199 1.00 0.00 C ATOM 1138 CH2 TRP A 728 -1.822 18.270 7.480 1.00 0.00 C ATOM 0 H TRP A 728 2.996 13.958 7.713 1.00 0.00 H new ATOM 0 HA TRP A 728 0.279 13.611 6.589 1.00 0.00 H new ATOM 0 HB2 TRP A 728 2.682 14.659 5.061 1.00 0.00 H new ATOM 0 HB3 TRP A 728 1.027 14.544 4.497 1.00 0.00 H new ATOM 0 HD1 TRP A 728 3.285 17.138 5.457 1.00 0.00 H new ATOM 0 HE1 TRP A 728 2.123 19.236 6.424 1.00 0.00 H new ATOM 0 HE3 TRP A 728 -1.286 15.074 6.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 728 -0.417 19.879 7.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 728 -3.041 16.502 7.412 1.00 0.00 H new ATOM 0 HH2 TRP A 728 -2.611 18.874 7.903 1.00 0.00 H new ATOM 1149 N ILE A 729 0.997 11.594 5.207 1.00 0.00 N ATOM 1150 CA ILE A 729 1.341 10.275 4.672 1.00 0.00 C ATOM 1151 C ILE A 729 1.409 10.303 3.144 1.00 0.00 C ATOM 1152 O ILE A 729 0.663 11.037 2.495 1.00 0.00 O ATOM 1153 CB ILE A 729 0.315 9.205 5.123 1.00 0.00 C ATOM 1154 CG1 ILE A 729 0.759 7.808 4.665 1.00 0.00 C ATOM 1155 CG2 ILE A 729 -1.075 9.529 4.595 1.00 0.00 C ATOM 1156 CD1 ILE A 729 -0.038 6.679 5.286 1.00 0.00 C ATOM 0 H ILE A 729 0.057 11.910 4.970 1.00 0.00 H new ATOM 0 HA ILE A 729 2.323 10.012 5.066 1.00 0.00 H new ATOM 0 HB ILE A 729 0.271 9.212 6.212 1.00 0.00 H new ATOM 0 HG12 ILE A 729 0.673 7.747 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 729 1.813 7.674 4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 729 -1.777 8.763 4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 729 -1.392 10.500 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 729 -1.053 9.556 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 729 0.334 5.724 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 729 0.068 6.712 6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 729 -1.090 6.787 5.021 1.00 0.00 H new ATOM 1168 N HIS A 730 2.309 9.501 2.569 1.00 0.00 N ATOM 1169 CA HIS A 730 2.465 9.446 1.113 1.00 0.00 C ATOM 1170 C HIS A 730 3.452 8.359 0.690 1.00 0.00 C ATOM 1171 O HIS A 730 4.435 8.092 1.381 1.00 0.00 O ATOM 1172 CB HIS A 730 2.924 10.806 0.569 1.00 0.00 C ATOM 1173 CG HIS A 730 4.095 11.395 1.300 1.00 0.00 C ATOM 1174 ND1 HIS A 730 5.389 11.321 0.831 1.00 0.00 N ATOM 1175 CD2 HIS A 730 4.158 12.081 2.467 1.00 0.00 C ATOM 1176 CE1 HIS A 730 6.197 11.934 1.677 1.00 0.00 C ATOM 1177 NE2 HIS A 730 5.475 12.403 2.678 1.00 0.00 N ATOM 0 H HIS A 730 2.937 8.885 3.085 1.00 0.00 H new ATOM 0 HA HIS A 730 1.490 9.199 0.692 1.00 0.00 H new ATOM 0 HB2 HIS A 730 3.185 10.695 -0.483 1.00 0.00 H new ATOM 0 HB3 HIS A 730 2.089 11.505 0.618 1.00 0.00 H new ATOM 0 HD1 HIS A 730 5.677 10.864 -0.034 1.00 0.00 H new ATOM 0 HD2 HIS A 730 3.327 12.328 3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 730 7.267 12.035 1.568 1.00 0.00 H new ATOM 1186 N ILE A 731 3.181 7.742 -0.460 1.00 0.00 N ATOM 1187 CA ILE A 731 4.045 6.687 -0.993 1.00 0.00 C ATOM 1188 C ILE A 731 5.118 7.258 -1.925 1.00 0.00 C ATOM 1189 O ILE A 731 6.203 6.687 -2.051 1.00 0.00 O ATOM 1190 CB ILE A 731 3.238 5.608 -1.753 1.00 0.00 C ATOM 1191 CG1 ILE A 731 2.327 6.242 -2.813 1.00 0.00 C ATOM 1192 CG2 ILE A 731 2.425 4.767 -0.778 1.00 0.00 C ATOM 1193 CD1 ILE A 731 2.132 5.379 -4.040 1.00 0.00 C ATOM 0 H ILE A 731 2.370 7.954 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 731 4.526 6.224 -0.132 1.00 0.00 H new ATOM 0 HB ILE A 731 3.945 4.957 -2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 731 1.354 6.449 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 731 2.749 7.200 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 731 1.863 4.013 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 731 3.096 4.277 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 731 1.733 5.409 -0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 731 1.477 5.891 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 731 3.097 5.193 -4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 731 1.681 4.430 -3.750 1.00 0.00 H new ATOM 1205 N THR A 732 4.809 8.383 -2.578 1.00 0.00 N ATOM 1206 CA THR A 732 5.748 9.025 -3.497 1.00 0.00 C ATOM 1207 C THR A 732 6.166 10.400 -2.971 1.00 0.00 C ATOM 1208 O THR A 732 5.755 10.807 -1.881 1.00 0.00 O ATOM 1209 CB THR A 732 5.116 9.160 -4.888 1.00 0.00 C ATOM 1210 OG1 THR A 732 4.017 10.055 -4.862 1.00 0.00 O ATOM 1211 CG2 THR A 732 4.622 7.845 -5.456 1.00 0.00 C ATOM 0 H THR A 732 3.915 8.866 -2.486 1.00 0.00 H new ATOM 0 HA THR A 732 6.638 8.401 -3.571 1.00 0.00 H new ATOM 0 HB THR A 732 5.915 9.536 -5.526 1.00 0.00 H new ATOM 0 HG1 THR A 732 3.632 10.126 -5.760 1.00 0.00 H new ATOM 0 HG21 THR A 732 4.187 8.015 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 732 5.457 7.150 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 732 3.866 7.424 -4.793 1.00 0.00 H new ATOM 1219 N GLU A 733 6.976 11.116 -3.751 1.00 0.00 N ATOM 1220 CA GLU A 733 7.437 12.448 -3.359 1.00 0.00 C ATOM 1221 C GLU A 733 6.835 13.529 -4.263 1.00 0.00 C ATOM 1222 O GLU A 733 7.460 14.564 -4.510 1.00 0.00 O ATOM 1223 CB GLU A 733 8.965 12.519 -3.400 1.00 0.00 C ATOM 1224 CG GLU A 733 9.586 12.995 -2.095 1.00 0.00 C ATOM 1225 CD GLU A 733 10.586 14.117 -2.296 1.00 0.00 C ATOM 1226 OE1 GLU A 733 11.781 13.817 -2.506 1.00 0.00 O ATOM 1227 OE2 GLU A 733 10.175 15.295 -2.244 1.00 0.00 O ATOM 0 H GLU A 733 7.325 10.798 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 733 7.102 12.631 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 733 9.360 11.533 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 733 9.268 13.190 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 733 8.796 13.334 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 733 10.081 12.156 -1.606 1.00 0.00 H new ATOM 1234 N ALA A 734 5.616 13.288 -4.749 1.00 0.00 N ATOM 1235 CA ALA A 734 4.930 14.242 -5.616 1.00 0.00 C ATOM 1236 C ALA A 734 3.748 14.896 -4.897 1.00 0.00 C ATOM 1237 O ALA A 734 3.574 16.115 -4.960 1.00 0.00 O ATOM 1238 CB ALA A 734 4.466 13.554 -6.892 1.00 0.00 C ATOM 0 H ALA A 734 5.085 12.439 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 734 5.636 15.030 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 734 3.956 14.276 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 734 5.328 13.148 -7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 734 3.781 12.745 -6.640 1.00 0.00 H new ATOM 1244 N LYS A 735 2.938 14.080 -4.218 1.00 0.00 N ATOM 1245 CA LYS A 735 1.769 14.577 -3.488 1.00 0.00 C ATOM 1246 C LYS A 735 1.767 14.086 -2.034 1.00 0.00 C ATOM 1247 O LYS A 735 2.578 13.238 -1.655 1.00 0.00 O ATOM 1248 CB LYS A 735 0.481 14.133 -4.193 1.00 0.00 C ATOM 1249 CG LYS A 735 0.242 14.812 -5.536 1.00 0.00 C ATOM 1250 CD LYS A 735 -0.274 16.235 -5.365 1.00 0.00 C ATOM 1251 CE LYS A 735 -1.762 16.256 -5.048 1.00 0.00 C ATOM 1252 NZ LYS A 735 -2.598 16.359 -6.279 1.00 0.00 N ATOM 0 H LYS A 735 3.071 13.070 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 735 1.818 15.666 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 735 0.516 13.054 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -0.367 14.336 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.171 14.828 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -0.477 14.231 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 735 0.276 16.729 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -0.087 16.803 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -2.029 15.350 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -1.980 17.098 -4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -3.604 16.370 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -2.363 17.236 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -2.411 15.543 -6.895 1.00 0.00 H new ATOM 1266 N LYS A 736 0.847 14.624 -1.228 1.00 0.00 N ATOM 1267 CA LYS A 736 0.731 14.246 0.186 1.00 0.00 C ATOM 1268 C LYS A 736 -0.707 13.855 0.530 1.00 0.00 C ATOM 1269 O LYS A 736 -1.654 14.305 -0.117 1.00 0.00 O ATOM 1270 CB LYS A 736 1.187 15.398 1.090 1.00 0.00 C ATOM 1271 CG LYS A 736 2.535 15.992 0.703 1.00 0.00 C ATOM 1272 CD LYS A 736 3.690 15.226 1.335 1.00 0.00 C ATOM 1273 CE LYS A 736 5.033 15.698 0.800 1.00 0.00 C ATOM 1274 NZ LYS A 736 5.491 16.951 1.463 1.00 0.00 N ATOM 0 H LYS A 736 0.170 15.324 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 736 1.376 13.384 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 736 0.434 16.186 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 736 1.241 15.040 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 736 2.640 15.980 -0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 736 2.576 17.035 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 736 3.663 15.354 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 736 3.573 14.161 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 736 5.778 14.916 0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 736 4.957 15.864 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 6.410 17.237 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 4.794 17.705 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 5.589 16.787 2.485 1.00 0.00 H new ATOM 1288 N PHE A 737 -0.859 13.016 1.555 1.00 0.00 N ATOM 1289 CA PHE A 737 -2.178 12.558 1.993 1.00 0.00 C ATOM 1290 C PHE A 737 -2.341 12.728 3.502 1.00 0.00 C ATOM 1291 O PHE A 737 -1.361 12.712 4.250 1.00 0.00 O ATOM 1292 CB PHE A 737 -2.390 11.089 1.606 1.00 0.00 C ATOM 1293 CG PHE A 737 -2.519 10.873 0.123 1.00 0.00 C ATOM 1294 CD1 PHE A 737 -1.397 10.640 -0.656 1.00 0.00 C ATOM 1295 CD2 PHE A 737 -3.761 10.911 -0.490 1.00 0.00 C ATOM 1296 CE1 PHE A 737 -1.512 10.449 -2.019 1.00 0.00 C ATOM 1297 CE2 PHE A 737 -3.883 10.719 -1.851 1.00 0.00 C ATOM 1298 CZ PHE A 737 -2.756 10.488 -2.618 1.00 0.00 C ATOM 0 H PHE A 737 -0.083 12.639 2.099 1.00 0.00 H new ATOM 0 HA PHE A 737 -2.930 13.169 1.493 1.00 0.00 H new ATOM 0 HB2 PHE A 737 -1.554 10.498 1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 737 -3.288 10.717 2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 737 -0.422 10.607 -0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 737 -4.644 11.093 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 737 -0.630 10.269 -2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 737 -4.857 10.749 -2.316 1.00 0.00 H new ATOM 0 HZ PHE A 737 -2.848 10.338 -3.684 1.00 0.00 H new ATOM 1308 N ASP A 738 -3.588 12.895 3.938 1.00 0.00 N ATOM 1309 CA ASP A 738 -3.896 13.073 5.358 1.00 0.00 C ATOM 1310 C ASP A 738 -3.836 11.741 6.113 1.00 0.00 C ATOM 1311 O ASP A 738 -3.616 11.720 7.326 1.00 0.00 O ATOM 1312 CB ASP A 738 -5.287 13.693 5.522 1.00 0.00 C ATOM 1313 CG ASP A 738 -5.363 15.122 5.011 1.00 0.00 C ATOM 1314 OD1 ASP A 738 -4.880 15.383 3.889 1.00 0.00 O ATOM 1315 OD2 ASP A 738 -5.909 15.981 5.733 1.00 0.00 O ATOM 0 H ASP A 738 -4.405 12.911 3.327 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.145 13.741 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -6.016 13.083 4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -5.565 13.674 6.576 1.00 0.00 H new ATOM 1320 N SER A 739 -4.040 10.635 5.392 1.00 0.00 N ATOM 1321 CA SER A 739 -4.015 9.305 5.999 1.00 0.00 C ATOM 1322 C SER A 739 -3.962 8.218 4.925 1.00 0.00 C ATOM 1323 O SER A 739 -4.125 8.498 3.735 1.00 0.00 O ATOM 1324 CB SER A 739 -5.246 9.109 6.891 1.00 0.00 C ATOM 1325 OG SER A 739 -4.884 8.590 8.159 1.00 0.00 O ATOM 0 H SER A 739 -4.224 10.636 4.389 1.00 0.00 H new ATOM 0 HA SER A 739 -3.117 9.224 6.611 1.00 0.00 H new ATOM 0 HB2 SER A 739 -5.761 10.061 7.019 1.00 0.00 H new ATOM 0 HB3 SER A 739 -5.947 8.431 6.404 1.00 0.00 H new ATOM 0 HG SER A 739 -5.475 7.842 8.387 1.00 0.00 H new ATOM 1331 N LEU A 740 -3.736 6.973 5.351 1.00 0.00 N ATOM 1332 CA LEU A 740 -3.665 5.846 4.421 1.00 0.00 C ATOM 1333 C LEU A 740 -4.978 5.697 3.651 1.00 0.00 C ATOM 1334 O LEU A 740 -4.971 5.412 2.454 1.00 0.00 O ATOM 1335 CB LEU A 740 -3.343 4.551 5.175 1.00 0.00 C ATOM 1336 CG LEU A 740 -3.174 3.303 4.299 1.00 0.00 C ATOM 1337 CD1 LEU A 740 -2.128 3.531 3.215 1.00 0.00 C ATOM 1338 CD2 LEU A 740 -2.799 2.102 5.156 1.00 0.00 C ATOM 0 H LEU A 740 -3.600 6.721 6.330 1.00 0.00 H new ATOM 0 HA LEU A 740 -2.866 6.043 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 740 -2.426 4.701 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 740 -4.139 4.363 5.896 1.00 0.00 H new ATOM 0 HG LEU A 740 -4.127 3.101 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 740 -2.029 2.630 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 740 -2.436 4.362 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 740 -1.169 3.764 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 740 -2.682 1.224 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 740 -1.861 2.303 5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 740 -3.585 1.918 5.889 1.00 0.00 H new ATOM 1350 N LEU A 741 -6.100 5.903 4.346 1.00 0.00 N ATOM 1351 CA LEU A 741 -7.422 5.799 3.726 1.00 0.00 C ATOM 1352 C LEU A 741 -7.525 6.722 2.513 1.00 0.00 C ATOM 1353 O LEU A 741 -7.955 6.299 1.440 1.00 0.00 O ATOM 1354 CB LEU A 741 -8.519 6.145 4.742 1.00 0.00 C ATOM 1355 CG LEU A 741 -9.925 5.647 4.386 1.00 0.00 C ATOM 1356 CD1 LEU A 741 -10.052 4.152 4.656 1.00 0.00 C ATOM 1357 CD2 LEU A 741 -10.978 6.425 5.162 1.00 0.00 C ATOM 0 H LEU A 741 -6.119 6.143 5.337 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.560 4.770 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -8.239 5.729 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -8.554 7.228 4.859 1.00 0.00 H new ATOM 0 HG LEU A 741 -10.089 5.815 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -11.057 3.820 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -9.324 3.610 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -9.866 3.956 5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -11.970 6.059 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -10.815 6.291 6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -10.904 7.484 4.914 1.00 0.00 H new ATOM 1369 N GLU A 742 -7.116 7.981 2.689 1.00 0.00 N ATOM 1370 CA GLU A 742 -7.154 8.959 1.602 1.00 0.00 C ATOM 1371 C GLU A 742 -6.315 8.481 0.419 1.00 0.00 C ATOM 1372 O GLU A 742 -6.766 8.525 -0.726 1.00 0.00 O ATOM 1373 CB GLU A 742 -6.649 10.322 2.087 1.00 0.00 C ATOM 1374 CG GLU A 742 -7.463 11.493 1.555 1.00 0.00 C ATOM 1375 CD GLU A 742 -8.305 12.153 2.630 1.00 0.00 C ATOM 1376 OE1 GLU A 742 -9.441 11.688 2.864 1.00 0.00 O ATOM 1377 OE2 GLU A 742 -7.831 13.137 3.236 1.00 0.00 O ATOM 0 H GLU A 742 -6.756 8.345 3.571 1.00 0.00 H new ATOM 0 HA GLU A 742 -8.189 9.064 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 742 -6.668 10.341 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 742 -5.609 10.445 1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 742 -6.789 12.232 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 742 -8.113 11.144 0.752 1.00 0.00 H new ATOM 1384 N LEU A 743 -5.096 8.018 0.704 1.00 0.00 N ATOM 1385 CA LEU A 743 -4.201 7.523 -0.340 1.00 0.00 C ATOM 1386 C LEU A 743 -4.831 6.348 -1.085 1.00 0.00 C ATOM 1387 O LEU A 743 -4.853 6.330 -2.316 1.00 0.00 O ATOM 1388 CB LEU A 743 -2.851 7.103 0.262 1.00 0.00 C ATOM 1389 CG LEU A 743 -1.669 7.109 -0.715 1.00 0.00 C ATOM 1390 CD1 LEU A 743 -0.351 7.191 0.041 1.00 0.00 C ATOM 1391 CD2 LEU A 743 -1.698 5.870 -1.603 1.00 0.00 C ATOM 0 H LEU A 743 -4.708 7.976 1.647 1.00 0.00 H new ATOM 0 HA LEU A 743 -4.033 8.332 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 743 -2.619 7.770 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 743 -2.953 6.100 0.677 1.00 0.00 H new ATOM 0 HG LEU A 743 -1.757 7.989 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 743 0.476 7.194 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 743 -0.326 8.107 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 743 -0.257 6.330 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 743 -0.851 5.894 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 743 -1.637 4.976 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 743 -2.626 5.853 -2.174 1.00 0.00 H new ATOM 1403 N VAL A 744 -5.341 5.369 -0.335 1.00 0.00 N ATOM 1404 CA VAL A 744 -5.970 4.191 -0.933 1.00 0.00 C ATOM 1405 C VAL A 744 -7.176 4.584 -1.785 1.00 0.00 C ATOM 1406 O VAL A 744 -7.303 4.145 -2.926 1.00 0.00 O ATOM 1407 CB VAL A 744 -6.417 3.163 0.134 1.00 0.00 C ATOM 1408 CG1 VAL A 744 -6.960 1.900 -0.529 1.00 0.00 C ATOM 1409 CG2 VAL A 744 -5.269 2.823 1.076 1.00 0.00 C ATOM 0 H VAL A 744 -5.331 5.369 0.685 1.00 0.00 H new ATOM 0 HA VAL A 744 -5.213 3.726 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 744 -7.217 3.613 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 744 -7.269 1.190 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 744 -7.817 2.156 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 744 -6.183 1.451 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 744 -5.608 2.099 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 744 -4.443 2.398 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 744 -4.933 3.728 1.581 1.00 0.00 H new ATOM 1419 N GLU A 745 -8.062 5.413 -1.225 1.00 0.00 N ATOM 1420 CA GLU A 745 -9.257 5.856 -1.942 1.00 0.00 C ATOM 1421 C GLU A 745 -8.884 6.643 -3.202 1.00 0.00 C ATOM 1422 O GLU A 745 -9.438 6.404 -4.275 1.00 0.00 O ATOM 1423 CB GLU A 745 -10.148 6.710 -1.032 1.00 0.00 C ATOM 1424 CG GLU A 745 -10.948 5.898 -0.024 1.00 0.00 C ATOM 1425 CD GLU A 745 -11.744 6.771 0.927 1.00 0.00 C ATOM 1426 OE1 GLU A 745 -11.127 7.412 1.802 1.00 0.00 O ATOM 1427 OE2 GLU A 745 -12.986 6.814 0.794 1.00 0.00 O ATOM 0 H GLU A 745 -7.973 5.789 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 745 -9.812 4.968 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 745 -9.525 7.426 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 745 -10.837 7.286 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 745 -11.628 5.233 -0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 745 -10.269 5.267 0.550 1.00 0.00 H new ATOM 1434 N TYR A 746 -7.941 7.575 -3.066 1.00 0.00 N ATOM 1435 CA TYR A 746 -7.492 8.390 -4.197 1.00 0.00 C ATOM 1436 C TYR A 746 -6.858 7.515 -5.279 1.00 0.00 C ATOM 1437 O TYR A 746 -7.185 7.638 -6.459 1.00 0.00 O ATOM 1438 CB TYR A 746 -6.489 9.447 -3.728 1.00 0.00 C ATOM 1439 CG TYR A 746 -6.496 10.724 -4.546 1.00 0.00 C ATOM 1440 CD1 TYR A 746 -7.622 11.536 -4.597 1.00 0.00 C ATOM 1441 CD2 TYR A 746 -5.368 11.123 -5.256 1.00 0.00 C ATOM 1442 CE1 TYR A 746 -7.625 12.706 -5.333 1.00 0.00 C ATOM 1443 CE2 TYR A 746 -5.365 12.292 -5.993 1.00 0.00 C ATOM 1444 CZ TYR A 746 -6.495 13.080 -6.029 1.00 0.00 C ATOM 1445 OH TYR A 746 -6.494 14.246 -6.760 1.00 0.00 O ATOM 0 H TYR A 746 -7.473 7.785 -2.185 1.00 0.00 H new ATOM 0 HA TYR A 746 -8.363 8.890 -4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 746 -6.701 9.695 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 746 -5.488 9.018 -3.756 1.00 0.00 H new ATOM 0 HD1 TYR A 746 -8.509 11.248 -4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 746 -4.480 10.509 -5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 746 -8.509 13.325 -5.363 1.00 0.00 H new ATOM 0 HE2 TYR A 746 -4.481 12.587 -6.539 1.00 0.00 H new ATOM 0 HH TYR A 746 -5.620 14.363 -7.189 1.00 0.00 H new ATOM 1455 N TYR A 747 -5.950 6.628 -4.864 1.00 0.00 N ATOM 1456 CA TYR A 747 -5.273 5.731 -5.799 1.00 0.00 C ATOM 1457 C TYR A 747 -6.208 4.628 -6.303 1.00 0.00 C ATOM 1458 O TYR A 747 -5.937 4.006 -7.329 1.00 0.00 O ATOM 1459 CB TYR A 747 -4.034 5.107 -5.149 1.00 0.00 C ATOM 1460 CG TYR A 747 -2.764 5.908 -5.358 1.00 0.00 C ATOM 1461 CD1 TYR A 747 -2.672 7.227 -4.929 1.00 0.00 C ATOM 1462 CD2 TYR A 747 -1.659 5.342 -5.983 1.00 0.00 C ATOM 1463 CE1 TYR A 747 -1.515 7.957 -5.116 1.00 0.00 C ATOM 1464 CE2 TYR A 747 -0.498 6.068 -6.175 1.00 0.00 C ATOM 1465 CZ TYR A 747 -0.431 7.375 -5.739 1.00 0.00 C ATOM 1466 OH TYR A 747 0.724 8.099 -5.923 1.00 0.00 O ATOM 0 H TYR A 747 -5.669 6.513 -3.890 1.00 0.00 H new ATOM 0 HA TYR A 747 -4.964 6.330 -6.656 1.00 0.00 H new ATOM 0 HB2 TYR A 747 -4.212 4.999 -4.079 1.00 0.00 H new ATOM 0 HB3 TYR A 747 -3.890 4.104 -5.551 1.00 0.00 H new ATOM 0 HD1 TYR A 747 -3.519 7.688 -4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 747 -1.708 4.318 -6.324 1.00 0.00 H new ATOM 0 HE1 TYR A 747 -1.459 8.980 -4.776 1.00 0.00 H new ATOM 0 HE2 TYR A 747 0.352 5.614 -6.664 1.00 0.00 H new ATOM 0 HH TYR A 747 0.816 8.757 -5.203 1.00 0.00 H new ATOM 1476 N GLN A 748 -7.313 4.391 -5.588 1.00 0.00 N ATOM 1477 CA GLN A 748 -8.276 3.371 -5.996 1.00 0.00 C ATOM 1478 C GLN A 748 -8.884 3.730 -7.353 1.00 0.00 C ATOM 1479 O GLN A 748 -9.197 2.849 -8.154 1.00 0.00 O ATOM 1480 CB GLN A 748 -9.390 3.217 -4.954 1.00 0.00 C ATOM 1481 CG GLN A 748 -9.225 1.997 -4.060 1.00 0.00 C ATOM 1482 CD GLN A 748 -10.508 1.608 -3.343 1.00 0.00 C ATOM 1483 OE1 GLN A 748 -11.594 2.076 -3.687 1.00 0.00 O ATOM 1484 NE2 GLN A 748 -10.386 0.749 -2.337 1.00 0.00 N ATOM 0 H GLN A 748 -7.559 4.888 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 748 -7.746 2.422 -6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -9.420 4.111 -4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -10.350 3.154 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -8.883 1.156 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -8.449 2.197 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -9.467 0.386 -2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -11.212 0.453 -1.816 1.00 0.00 H new ATOM 1493 N CYS A 749 -9.044 5.034 -7.598 1.00 0.00 N ATOM 1494 CA CYS A 749 -9.608 5.521 -8.856 1.00 0.00 C ATOM 1495 C CYS A 749 -8.506 5.898 -9.851 1.00 0.00 C ATOM 1496 O CYS A 749 -8.630 5.630 -11.048 1.00 0.00 O ATOM 1497 CB CYS A 749 -10.514 6.730 -8.602 1.00 0.00 C ATOM 1498 SG CYS A 749 -12.147 6.307 -7.954 1.00 0.00 S ATOM 0 H CYS A 749 -8.790 5.770 -6.940 1.00 0.00 H new ATOM 0 HA CYS A 749 -10.199 4.714 -9.289 1.00 0.00 H new ATOM 0 HB2 CYS A 749 -10.019 7.400 -7.899 1.00 0.00 H new ATOM 0 HB3 CYS A 749 -10.637 7.281 -9.535 1.00 0.00 H new ATOM 0 HG CYS A 749 -12.836 7.394 -7.771 1.00 0.00 H new ATOM 1504 N HIS A 750 -7.433 6.524 -9.358 1.00 0.00 N ATOM 1505 CA HIS A 750 -6.321 6.936 -10.220 1.00 0.00 C ATOM 1506 C HIS A 750 -5.384 5.761 -10.510 1.00 0.00 C ATOM 1507 O HIS A 750 -5.227 4.864 -9.682 1.00 0.00 O ATOM 1508 CB HIS A 750 -5.538 8.083 -9.572 1.00 0.00 C ATOM 1509 CG HIS A 750 -6.336 9.341 -9.411 1.00 0.00 C ATOM 1510 ND1 HIS A 750 -6.811 9.781 -8.192 1.00 0.00 N ATOM 1511 CD2 HIS A 750 -6.736 10.258 -10.322 1.00 0.00 C ATOM 1512 CE1 HIS A 750 -7.467 10.915 -8.361 1.00 0.00 C ATOM 1513 NE2 HIS A 750 -7.437 11.225 -9.643 1.00 0.00 N ATOM 0 H HIS A 750 -7.311 6.756 -8.372 1.00 0.00 H new ATOM 0 HA HIS A 750 -6.740 7.281 -11.165 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -5.182 7.761 -8.593 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -4.657 8.297 -10.177 1.00 0.00 H new ATOM 0 HD1 HIS A 750 -6.676 9.305 -7.300 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -6.541 10.234 -11.384 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -7.946 11.490 -7.583 1.00 0.00 H new ATOM 1522 N SER A 751 -4.764 5.772 -11.691 1.00 0.00 N ATOM 1523 CA SER A 751 -3.847 4.703 -12.087 1.00 0.00 C ATOM 1524 C SER A 751 -2.452 4.924 -11.508 1.00 0.00 C ATOM 1525 O SER A 751 -1.977 6.056 -11.418 1.00 0.00 O ATOM 1526 CB SER A 751 -3.768 4.600 -13.611 1.00 0.00 C ATOM 1527 OG SER A 751 -2.894 3.557 -14.009 1.00 0.00 O ATOM 0 H SER A 751 -4.880 6.507 -12.388 1.00 0.00 H new ATOM 0 HA SER A 751 -4.239 3.768 -11.686 1.00 0.00 H new ATOM 0 HB2 SER A 751 -4.763 4.420 -14.018 1.00 0.00 H new ATOM 0 HB3 SER A 751 -3.421 5.547 -14.025 1.00 0.00 H new ATOM 0 HG SER A 751 -3.095 3.297 -14.932 1.00 0.00 H new ATOM 1533 N LEU A 752 -1.798 3.829 -11.126 1.00 0.00 N ATOM 1534 CA LEU A 752 -0.451 3.896 -10.561 1.00 0.00 C ATOM 1535 C LEU A 752 0.562 4.418 -11.583 1.00 0.00 C ATOM 1536 O LEU A 752 1.619 4.927 -11.206 1.00 0.00 O ATOM 1537 CB LEU A 752 -0.013 2.521 -10.046 1.00 0.00 C ATOM 1538 CG LEU A 752 -0.271 2.272 -8.559 1.00 0.00 C ATOM 1539 CD1 LEU A 752 -0.038 0.808 -8.215 1.00 0.00 C ATOM 1540 CD2 LEU A 752 0.612 3.173 -7.705 1.00 0.00 C ATOM 0 H LEU A 752 -2.178 2.885 -11.197 1.00 0.00 H new ATOM 0 HA LEU A 752 -0.482 4.596 -9.726 1.00 0.00 H new ATOM 0 HB2 LEU A 752 -0.530 1.753 -10.622 1.00 0.00 H new ATOM 0 HB3 LEU A 752 1.053 2.401 -10.239 1.00 0.00 H new ATOM 0 HG LEU A 752 -1.312 2.512 -8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 752 -0.226 0.649 -7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 752 -0.714 0.185 -8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 752 0.993 0.540 -8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 752 0.415 2.982 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 752 1.660 2.966 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 752 0.394 4.217 -7.932 1.00 0.00 H new ATOM 1552 N LYS A 753 0.240 4.292 -12.876 1.00 0.00 N ATOM 1553 CA LYS A 753 1.129 4.760 -13.942 1.00 0.00 C ATOM 1554 C LYS A 753 1.518 6.226 -13.748 1.00 0.00 C ATOM 1555 O LYS A 753 2.618 6.635 -14.122 1.00 0.00 O ATOM 1556 CB LYS A 753 0.471 4.578 -15.315 1.00 0.00 C ATOM 1557 CG LYS A 753 -0.875 5.277 -15.458 1.00 0.00 C ATOM 1558 CD LYS A 753 -0.743 6.623 -16.156 1.00 0.00 C ATOM 1559 CE LYS A 753 -1.113 6.531 -17.629 1.00 0.00 C ATOM 1560 NZ LYS A 753 0.086 6.388 -18.501 1.00 0.00 N ATOM 0 H LYS A 753 -0.628 3.871 -13.207 1.00 0.00 H new ATOM 0 HA LYS A 753 2.035 4.156 -13.895 1.00 0.00 H new ATOM 0 HB2 LYS A 753 1.147 4.955 -16.083 1.00 0.00 H new ATOM 0 HB3 LYS A 753 0.337 3.513 -15.503 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -1.557 4.641 -16.022 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -1.316 5.421 -14.472 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -1.386 7.353 -15.664 1.00 0.00 H new ATOM 0 HD3 LYS A 753 0.281 6.984 -16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -1.776 5.680 -17.783 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -1.667 7.424 -17.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -0.213 6.329 -19.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 0.707 7.212 -18.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 0.602 5.523 -18.243 1.00 0.00 H new ATOM 1574 N GLU A 754 0.610 7.012 -13.164 1.00 0.00 N ATOM 1575 CA GLU A 754 0.861 8.433 -12.922 1.00 0.00 C ATOM 1576 C GLU A 754 2.132 8.633 -12.099 1.00 0.00 C ATOM 1577 O GLU A 754 2.977 9.459 -12.440 1.00 0.00 O ATOM 1578 CB GLU A 754 -0.330 9.071 -12.202 1.00 0.00 C ATOM 1579 CG GLU A 754 -1.636 8.979 -12.981 1.00 0.00 C ATOM 1580 CD GLU A 754 -2.634 10.051 -12.583 1.00 0.00 C ATOM 1581 OE1 GLU A 754 -2.514 11.188 -13.086 1.00 0.00 O ATOM 1582 OE2 GLU A 754 -3.537 9.750 -11.775 1.00 0.00 O ATOM 0 H GLU A 754 -0.305 6.688 -12.851 1.00 0.00 H new ATOM 0 HA GLU A 754 0.995 8.918 -13.889 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -0.460 8.587 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -0.106 10.120 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -1.425 9.063 -14.047 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -2.081 7.997 -12.821 1.00 0.00 H new ATOM 1589 N SER A 755 2.260 7.867 -11.016 1.00 0.00 N ATOM 1590 CA SER A 755 3.430 7.956 -10.147 1.00 0.00 C ATOM 1591 C SER A 755 4.534 7.018 -10.631 1.00 0.00 C ATOM 1592 O SER A 755 5.632 7.462 -10.969 1.00 0.00 O ATOM 1593 CB SER A 755 3.053 7.621 -8.699 1.00 0.00 C ATOM 1594 OG SER A 755 1.987 6.687 -8.647 1.00 0.00 O ATOM 0 H SER A 755 1.568 7.179 -10.721 1.00 0.00 H new ATOM 0 HA SER A 755 3.802 8.980 -10.184 1.00 0.00 H new ATOM 0 HB2 SER A 755 3.921 7.215 -8.180 1.00 0.00 H new ATOM 0 HB3 SER A 755 2.766 8.533 -8.175 1.00 0.00 H new ATOM 0 HG SER A 755 1.496 6.797 -7.806 1.00 0.00 H new ATOM 1600 N PHE A 756 4.235 5.720 -10.668 1.00 0.00 N ATOM 1601 CA PHE A 756 5.198 4.720 -11.117 1.00 0.00 C ATOM 1602 C PHE A 756 4.885 4.282 -12.545 1.00 0.00 C ATOM 1603 O PHE A 756 4.004 3.450 -12.764 1.00 0.00 O ATOM 1604 CB PHE A 756 5.186 3.501 -10.184 1.00 0.00 C ATOM 1605 CG PHE A 756 5.534 3.818 -8.756 1.00 0.00 C ATOM 1606 CD1 PHE A 756 4.546 4.171 -7.849 1.00 0.00 C ATOM 1607 CD2 PHE A 756 6.849 3.761 -8.320 1.00 0.00 C ATOM 1608 CE1 PHE A 756 4.864 4.460 -6.535 1.00 0.00 C ATOM 1609 CE2 PHE A 756 7.170 4.048 -7.008 1.00 0.00 C ATOM 1610 CZ PHE A 756 6.177 4.398 -6.114 1.00 0.00 C ATOM 0 H PHE A 756 3.331 5.337 -10.391 1.00 0.00 H new ATOM 0 HA PHE A 756 6.191 5.170 -11.094 1.00 0.00 H new ATOM 0 HB2 PHE A 756 4.197 3.044 -10.213 1.00 0.00 H new ATOM 0 HB3 PHE A 756 5.890 2.760 -10.563 1.00 0.00 H new ATOM 0 HD1 PHE A 756 3.517 4.221 -8.173 1.00 0.00 H new ATOM 0 HD2 PHE A 756 7.631 3.489 -9.014 1.00 0.00 H new ATOM 0 HE1 PHE A 756 4.086 4.734 -5.838 1.00 0.00 H new ATOM 0 HE2 PHE A 756 8.198 3.999 -6.681 1.00 0.00 H new ATOM 0 HZ PHE A 756 6.427 4.623 -5.088 1.00 0.00 H new ATOM 1620 N LYS A 757 5.603 4.850 -13.515 1.00 0.00 N ATOM 1621 CA LYS A 757 5.392 4.513 -14.924 1.00 0.00 C ATOM 1622 C LYS A 757 5.587 3.014 -15.174 1.00 0.00 C ATOM 1623 O LYS A 757 4.931 2.435 -16.040 1.00 0.00 O ATOM 1624 CB LYS A 757 6.338 5.321 -15.816 1.00 0.00 C ATOM 1625 CG LYS A 757 6.102 6.824 -15.757 1.00 0.00 C ATOM 1626 CD LYS A 757 7.321 7.602 -16.235 1.00 0.00 C ATOM 1627 CE LYS A 757 7.114 8.162 -17.636 1.00 0.00 C ATOM 1628 NZ LYS A 757 6.330 9.431 -17.628 1.00 0.00 N ATOM 0 H LYS A 757 6.333 5.543 -13.352 1.00 0.00 H new ATOM 0 HA LYS A 757 4.362 4.768 -15.175 1.00 0.00 H new ATOM 0 HB2 LYS A 757 7.367 5.112 -15.522 1.00 0.00 H new ATOM 0 HB3 LYS A 757 6.226 4.985 -16.847 1.00 0.00 H new ATOM 0 HG2 LYS A 757 5.240 7.082 -16.373 1.00 0.00 H new ATOM 0 HG3 LYS A 757 5.862 7.115 -14.735 1.00 0.00 H new ATOM 0 HD2 LYS A 757 7.527 8.418 -15.543 1.00 0.00 H new ATOM 0 HD3 LYS A 757 8.195 6.951 -16.228 1.00 0.00 H new ATOM 0 HE2 LYS A 757 8.084 8.340 -18.101 1.00 0.00 H new ATOM 0 HE3 LYS A 757 6.598 7.422 -18.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 757 6.215 9.774 -18.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 757 5.394 9.258 -17.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 757 6.834 10.147 -17.066 1.00 0.00 H new ATOM 1642 N GLN A 758 6.486 2.392 -14.404 1.00 0.00 N ATOM 1643 CA GLN A 758 6.761 0.959 -14.535 1.00 0.00 C ATOM 1644 C GLN A 758 5.493 0.123 -14.322 1.00 0.00 C ATOM 1645 O GLN A 758 5.351 -0.956 -14.899 1.00 0.00 O ATOM 1646 CB GLN A 758 7.840 0.534 -13.531 1.00 0.00 C ATOM 1647 CG GLN A 758 9.258 0.676 -14.061 1.00 0.00 C ATOM 1648 CD GLN A 758 9.684 2.126 -14.218 1.00 0.00 C ATOM 1649 OE1 GLN A 758 9.205 3.008 -13.504 1.00 0.00 O ATOM 1650 NE2 GLN A 758 10.588 2.379 -15.158 1.00 0.00 N ATOM 0 H GLN A 758 7.036 2.860 -13.683 1.00 0.00 H new ATOM 0 HA GLN A 758 7.118 0.780 -15.549 1.00 0.00 H new ATOM 0 HB2 GLN A 758 7.738 1.133 -12.626 1.00 0.00 H new ATOM 0 HB3 GLN A 758 7.670 -0.504 -13.246 1.00 0.00 H new ATOM 0 HG2 GLN A 758 9.947 0.171 -13.384 1.00 0.00 H new ATOM 0 HG3 GLN A 758 9.333 0.173 -15.025 1.00 0.00 H new ATOM 0 HE21 GLN A 758 10.959 1.618 -15.727 1.00 0.00 H new ATOM 0 HE22 GLN A 758 10.911 3.334 -15.311 1.00 0.00 H new ATOM 1659 N LEU A 759 4.577 0.626 -13.490 1.00 0.00 N ATOM 1660 CA LEU A 759 3.325 -0.073 -13.204 1.00 0.00 C ATOM 1661 C LEU A 759 2.134 0.685 -13.783 1.00 0.00 C ATOM 1662 O LEU A 759 2.089 1.915 -13.740 1.00 0.00 O ATOM 1663 CB LEU A 759 3.141 -0.244 -11.695 1.00 0.00 C ATOM 1664 CG LEU A 759 4.049 -1.285 -11.032 1.00 0.00 C ATOM 1665 CD1 LEU A 759 5.446 -0.721 -10.812 1.00 0.00 C ATOM 1666 CD2 LEU A 759 3.446 -1.744 -9.713 1.00 0.00 C ATOM 0 H LEU A 759 4.681 1.516 -13.003 1.00 0.00 H new ATOM 0 HA LEU A 759 3.376 -1.056 -13.672 1.00 0.00 H new ATOM 0 HB2 LEU A 759 3.312 0.719 -11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 759 2.104 -0.517 -11.502 1.00 0.00 H new ATOM 0 HG LEU A 759 4.131 -2.145 -11.697 1.00 0.00 H new ATOM 0 HD11 LEU A 759 6.074 -1.477 -10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 759 5.879 -0.437 -11.771 1.00 0.00 H new ATOM 0 HD13 LEU A 759 5.387 0.156 -10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 759 4.100 -2.484 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 759 3.337 -0.889 -9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 759 2.468 -2.189 -9.895 1.00 0.00 H new ATOM 1678 N ASP A 760 1.170 -0.055 -14.327 1.00 0.00 N ATOM 1679 CA ASP A 760 -0.023 0.551 -14.920 1.00 0.00 C ATOM 1680 C ASP A 760 -1.285 -0.225 -14.544 1.00 0.00 C ATOM 1681 O ASP A 760 -1.901 -0.885 -15.385 1.00 0.00 O ATOM 1682 CB ASP A 760 0.124 0.636 -16.442 1.00 0.00 C ATOM 1683 CG ASP A 760 0.621 -0.653 -17.072 1.00 0.00 C ATOM 1684 OD1 ASP A 760 1.824 -0.962 -16.927 1.00 0.00 O ATOM 1685 OD2 ASP A 760 -0.188 -1.352 -17.715 1.00 0.00 O ATOM 0 H ASP A 760 1.190 -1.074 -14.370 1.00 0.00 H new ATOM 0 HA ASP A 760 -0.123 1.560 -14.521 1.00 0.00 H new ATOM 0 HB2 ASP A 760 -0.840 0.897 -16.879 1.00 0.00 H new ATOM 0 HB3 ASP A 760 0.815 1.442 -16.689 1.00 0.00 H new ATOM 1690 N THR A 761 -1.658 -0.138 -13.271 1.00 0.00 N ATOM 1691 CA THR A 761 -2.847 -0.829 -12.765 1.00 0.00 C ATOM 1692 C THR A 761 -3.477 -0.077 -11.583 1.00 0.00 C ATOM 1693 O THR A 761 -3.033 1.015 -11.222 1.00 0.00 O ATOM 1694 CB THR A 761 -2.478 -2.257 -12.353 1.00 0.00 C ATOM 1695 OG1 THR A 761 -3.634 -2.999 -12.007 1.00 0.00 O ATOM 1696 CG2 THR A 761 -1.518 -2.319 -11.180 1.00 0.00 C ATOM 0 H THR A 761 -1.156 0.404 -12.568 1.00 0.00 H new ATOM 0 HA THR A 761 -3.587 -0.862 -13.564 1.00 0.00 H new ATOM 0 HB THR A 761 -1.984 -2.686 -13.225 1.00 0.00 H new ATOM 0 HG1 THR A 761 -3.374 -3.908 -11.749 1.00 0.00 H new ATOM 0 HG21 THR A 761 -1.300 -3.360 -10.943 1.00 0.00 H new ATOM 0 HG22 THR A 761 -0.593 -1.805 -11.440 1.00 0.00 H new ATOM 0 HG23 THR A 761 -1.970 -1.836 -10.314 1.00 0.00 H new ATOM 1704 N THR A 762 -4.515 -0.674 -10.990 1.00 0.00 N ATOM 1705 CA THR A 762 -5.217 -0.073 -9.852 1.00 0.00 C ATOM 1706 C THR A 762 -5.618 -1.137 -8.824 1.00 0.00 C ATOM 1707 O THR A 762 -5.491 -2.337 -9.074 1.00 0.00 O ATOM 1708 CB THR A 762 -6.462 0.683 -10.334 1.00 0.00 C ATOM 1709 OG1 THR A 762 -7.069 0.010 -11.424 1.00 0.00 O ATOM 1710 CG2 THR A 762 -6.175 2.103 -10.779 1.00 0.00 C ATOM 0 H THR A 762 -4.889 -1.577 -11.281 1.00 0.00 H new ATOM 0 HA THR A 762 -4.535 0.628 -9.370 1.00 0.00 H new ATOM 0 HB THR A 762 -7.124 0.718 -9.469 1.00 0.00 H new ATOM 0 HG1 THR A 762 -7.862 0.507 -11.715 1.00 0.00 H new ATOM 0 HG21 THR A 762 -7.101 2.576 -11.106 1.00 0.00 H new ATOM 0 HG22 THR A 762 -5.754 2.667 -9.947 1.00 0.00 H new ATOM 0 HG23 THR A 762 -5.463 2.089 -11.605 1.00 0.00 H new ATOM 1718 N LEU A 763 -6.108 -0.685 -7.664 1.00 0.00 N ATOM 1719 CA LEU A 763 -6.531 -1.596 -6.595 1.00 0.00 C ATOM 1720 C LEU A 763 -7.900 -2.208 -6.903 1.00 0.00 C ATOM 1721 O LEU A 763 -8.808 -1.514 -7.363 1.00 0.00 O ATOM 1722 CB LEU A 763 -6.587 -0.861 -5.246 1.00 0.00 C ATOM 1723 CG LEU A 763 -5.405 0.074 -4.952 1.00 0.00 C ATOM 1724 CD1 LEU A 763 -5.608 0.803 -3.628 1.00 0.00 C ATOM 1725 CD2 LEU A 763 -4.099 -0.707 -4.937 1.00 0.00 C ATOM 0 H LEU A 763 -6.221 0.304 -7.442 1.00 0.00 H new ATOM 0 HA LEU A 763 -5.795 -2.398 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -7.507 -0.278 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -6.647 -1.603 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 763 -5.353 0.819 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -4.759 1.460 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -6.521 1.396 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -5.689 0.075 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -3.272 -0.029 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -4.143 -1.475 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -3.945 -1.177 -5.908 1.00 0.00 H new ATOM 1737 N LYS A 764 -8.040 -3.514 -6.647 1.00 0.00 N ATOM 1738 CA LYS A 764 -9.301 -4.217 -6.899 1.00 0.00 C ATOM 1739 C LYS A 764 -9.616 -5.224 -5.790 1.00 0.00 C ATOM 1740 O LYS A 764 -10.642 -5.109 -5.115 1.00 0.00 O ATOM 1741 CB LYS A 764 -9.247 -4.930 -8.254 1.00 0.00 C ATOM 1742 CG LYS A 764 -10.534 -4.825 -9.056 1.00 0.00 C ATOM 1743 CD LYS A 764 -10.493 -5.710 -10.293 1.00 0.00 C ATOM 1744 CE LYS A 764 -11.888 -5.968 -10.847 1.00 0.00 C ATOM 1745 NZ LYS A 764 -12.456 -4.771 -11.532 1.00 0.00 N ATOM 0 H LYS A 764 -7.298 -4.102 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 764 -10.098 -3.474 -6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 764 -8.429 -4.512 -8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 764 -9.017 -5.983 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 764 -11.379 -5.112 -8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 764 -10.695 -3.789 -9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 764 -9.879 -5.237 -11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 764 -10.018 -6.659 -10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 764 -11.849 -6.801 -11.549 1.00 0.00 H new ATOM 0 HE3 LYS A 764 -12.550 -6.267 -10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 764 -13.406 -4.995 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 764 -12.519 -3.982 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 764 -11.840 -4.500 -12.325 1.00 0.00 H new ATOM 1759 N TYR A 765 -8.741 -6.217 -5.610 1.00 0.00 N ATOM 1760 CA TYR A 765 -8.942 -7.244 -4.587 1.00 0.00 C ATOM 1761 C TYR A 765 -7.835 -7.200 -3.532 1.00 0.00 C ATOM 1762 O TYR A 765 -6.666 -7.003 -3.861 1.00 0.00 O ATOM 1763 CB TYR A 765 -8.993 -8.640 -5.224 1.00 0.00 C ATOM 1764 CG TYR A 765 -9.766 -8.699 -6.526 1.00 0.00 C ATOM 1765 CD1 TYR A 765 -11.148 -8.557 -6.545 1.00 0.00 C ATOM 1766 CD2 TYR A 765 -9.110 -8.898 -7.733 1.00 0.00 C ATOM 1767 CE1 TYR A 765 -11.854 -8.612 -7.732 1.00 0.00 C ATOM 1768 CE2 TYR A 765 -9.808 -8.954 -8.924 1.00 0.00 C ATOM 1769 CZ TYR A 765 -11.178 -8.810 -8.918 1.00 0.00 C ATOM 1770 OH TYR A 765 -11.877 -8.865 -10.103 1.00 0.00 O ATOM 0 H TYR A 765 -7.889 -6.331 -6.159 1.00 0.00 H new ATOM 0 HA TYR A 765 -9.895 -7.038 -4.099 1.00 0.00 H new ATOM 0 HB2 TYR A 765 -7.974 -8.983 -5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 765 -9.443 -9.335 -4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 765 -11.679 -8.401 -5.618 1.00 0.00 H new ATOM 0 HD2 TYR A 765 -8.036 -9.011 -7.741 1.00 0.00 H new ATOM 0 HE1 TYR A 765 -12.928 -8.501 -7.731 1.00 0.00 H new ATOM 0 HE2 TYR A 765 -9.282 -9.110 -9.855 1.00 0.00 H new ATOM 0 HH TYR A 765 -11.253 -9.009 -10.845 1.00 0.00 H new ATOM 1780 N PRO A 766 -8.190 -7.388 -2.244 1.00 0.00 N ATOM 1781 CA PRO A 766 -7.218 -7.371 -1.144 1.00 0.00 C ATOM 1782 C PRO A 766 -6.402 -8.662 -1.060 1.00 0.00 C ATOM 1783 O PRO A 766 -6.509 -9.534 -1.924 1.00 0.00 O ATOM 1784 CB PRO A 766 -8.103 -7.212 0.092 1.00 0.00 C ATOM 1785 CG PRO A 766 -9.378 -7.878 -0.283 1.00 0.00 C ATOM 1786 CD PRO A 766 -9.564 -7.632 -1.757 1.00 0.00 C ATOM 0 HA PRO A 766 -6.475 -6.582 -1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -7.652 -7.680 0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -8.260 -6.162 0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 766 -9.337 -8.946 -0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 766 -10.212 -7.471 0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -10.019 -8.490 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -10.213 -6.776 -1.942 1.00 0.00 H new ATOM 1794 N TYR A 767 -5.590 -8.774 -0.011 1.00 0.00 N ATOM 1795 CA TYR A 767 -4.751 -9.954 0.194 1.00 0.00 C ATOM 1796 C TYR A 767 -5.575 -11.185 0.594 1.00 0.00 C ATOM 1797 O TYR A 767 -5.160 -12.314 0.340 1.00 0.00 O ATOM 1798 CB TYR A 767 -3.678 -9.673 1.254 1.00 0.00 C ATOM 1799 CG TYR A 767 -4.229 -9.405 2.642 1.00 0.00 C ATOM 1800 CD1 TYR A 767 -4.612 -8.124 3.024 1.00 0.00 C ATOM 1801 CD2 TYR A 767 -4.364 -10.432 3.568 1.00 0.00 C ATOM 1802 CE1 TYR A 767 -5.113 -7.875 4.287 1.00 0.00 C ATOM 1803 CE2 TYR A 767 -4.865 -10.189 4.834 1.00 0.00 C ATOM 1804 CZ TYR A 767 -5.238 -8.911 5.188 1.00 0.00 C ATOM 1805 OH TYR A 767 -5.739 -8.668 6.447 1.00 0.00 O ATOM 0 H TYR A 767 -5.495 -8.061 0.712 1.00 0.00 H new ATOM 0 HA TYR A 767 -4.268 -10.174 -0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 767 -3.000 -10.525 1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 767 -3.087 -8.813 0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 767 -4.516 -7.310 2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 767 -4.073 -11.436 3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 767 -5.405 -6.874 4.567 1.00 0.00 H new ATOM 0 HE2 TYR A 767 -4.963 -10.998 5.542 1.00 0.00 H new ATOM 0 HH TYR A 767 -5.486 -7.765 6.731 1.00 0.00 H new ATOM 1815 N LYS A 768 -6.735 -10.970 1.218 1.00 0.00 N ATOM 1816 CA LYS A 768 -7.589 -12.083 1.636 1.00 0.00 C ATOM 1817 C LYS A 768 -8.997 -11.957 1.050 1.00 0.00 C ATOM 1818 O LYS A 768 -9.427 -12.809 0.272 1.00 0.00 O ATOM 1819 CB LYS A 768 -7.665 -12.155 3.164 1.00 0.00 C ATOM 1820 CG LYS A 768 -6.625 -13.077 3.782 1.00 0.00 C ATOM 1821 CD LYS A 768 -7.252 -14.051 4.772 1.00 0.00 C ATOM 1822 CE LYS A 768 -7.016 -13.618 6.214 1.00 0.00 C ATOM 1823 NZ LYS A 768 -5.582 -13.735 6.609 1.00 0.00 N ATOM 0 H LYS A 768 -7.102 -10.045 1.443 1.00 0.00 H new ATOM 0 HA LYS A 768 -7.143 -13.002 1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 768 -7.539 -11.153 3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 768 -8.659 -12.495 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 768 -6.119 -13.635 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 768 -5.866 -12.481 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 768 -8.323 -14.122 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 768 -6.835 -15.046 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 768 -7.343 -12.586 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 768 -7.626 -14.229 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 768 -5.509 -13.765 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 768 -5.182 -14.607 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 768 -5.054 -12.915 6.248 1.00 0.00 H new ATOM 1975 N GLU B1409 9.336 -0.521 -5.518 1.00 0.00 N ATOM 1976 CA GLU B1409 9.189 0.219 -6.769 1.00 0.00 C ATOM 1977 C GLU B1409 9.673 1.656 -6.610 1.00 0.00 C ATOM 1978 O GLU B1409 9.334 2.331 -5.635 1.00 0.00 O ATOM 1979 CB GLU B1409 7.733 0.204 -7.241 1.00 0.00 C ATOM 1980 CG GLU B1409 7.340 -1.071 -7.980 1.00 0.00 C ATOM 1981 CD GLU B1409 8.213 -1.349 -9.195 1.00 0.00 C ATOM 1982 OE1 GLU B1409 8.585 -0.386 -9.900 1.00 0.00 O ATOM 1983 OE2 GLU B1409 8.521 -2.534 -9.444 1.00 0.00 O ATOM 0 HA GLU B1409 9.805 -0.273 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU B1409 7.079 0.329 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU B1409 7.564 1.059 -7.895 1.00 0.00 H new ATOM 0 HG2 GLU B1409 7.403 -1.916 -7.294 1.00 0.00 H new ATOM 0 HG3 GLU B1409 6.300 -0.994 -8.297 1.00 0.00 H new ATOM 1990 N GLU B1410 10.467 2.116 -7.574 1.00 0.00 N ATOM 1991 CA GLU B1410 11.007 3.472 -7.544 1.00 0.00 C ATOM 1992 C GLU B1410 10.172 4.415 -8.410 1.00 0.00 C ATOM 1993 O GLU B1410 9.857 4.102 -9.560 1.00 0.00 O ATOM 1994 CB GLU B1410 12.464 3.475 -8.010 1.00 0.00 C ATOM 1995 CG GLU B1410 13.414 4.161 -7.038 1.00 0.00 C ATOM 1996 CD GLU B1410 13.527 3.427 -5.713 1.00 0.00 C ATOM 1997 OE1 GLU B1410 14.028 2.283 -5.707 1.00 0.00 O ATOM 1998 OE2 GLU B1410 13.115 3.999 -4.681 1.00 0.00 O ATOM 0 H GLU B1410 10.751 1.568 -8.386 1.00 0.00 H new ATOM 0 HA GLU B1410 10.965 3.830 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU B1410 12.791 2.446 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU B1410 12.526 3.973 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU B1410 14.402 4.235 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU B1410 13.069 5.179 -6.857 1.00 0.00 H new ATOM 2005 N VAL B1411 9.817 5.569 -7.843 1.00 0.00 N ATOM 2006 CA VAL B1411 9.014 6.564 -8.552 1.00 0.00 C ATOM 2007 C VAL B1411 9.892 7.425 -9.469 1.00 0.00 C ATOM 2008 O VAL B1411 10.119 8.610 -9.213 1.00 0.00 O ATOM 2009 CB VAL B1411 8.217 7.456 -7.563 1.00 0.00 C ATOM 2010 CG1 VAL B1411 9.152 8.226 -6.637 1.00 0.00 C ATOM 2011 CG2 VAL B1411 7.286 8.402 -8.311 1.00 0.00 C ATOM 0 H VAL B1411 10.074 5.837 -6.893 1.00 0.00 H new ATOM 0 HA VAL B1411 8.296 6.026 -9.171 1.00 0.00 H new ATOM 0 HB VAL B1411 7.604 6.801 -6.944 1.00 0.00 H new ATOM 0 HG11 VAL B1411 8.564 8.842 -5.956 1.00 0.00 H new ATOM 0 HG12 VAL B1411 9.755 7.523 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL B1411 9.807 8.865 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL B1411 6.739 9.016 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL B1411 7.872 9.045 -8.968 1.00 0.00 H new ATOM 0 HG23 VAL B1411 6.580 7.823 -8.906 1.00 0.00 H new ATOM 2021 N GLY B1412 10.385 6.805 -10.540 1.00 0.00 N ATOM 2022 CA GLY B1412 11.239 7.498 -11.490 1.00 0.00 C ATOM 2023 C GLY B1412 12.112 6.545 -12.289 1.00 0.00 C ATOM 2024 O GLY B1412 12.895 7.026 -13.132 1.00 0.00 O ATOM 2025 OXT GLY B1412 12.014 5.317 -12.070 1.00 0.00 O ATOM 0 H GLY B1412 10.206 5.827 -10.767 1.00 0.00 H new ATOM 0 HA2 GLY B1412 10.620 8.079 -12.174 1.00 0.00 H new ATOM 0 HA3 GLY B1412 11.873 8.205 -10.955 1.00 0.00 H new