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 -70:sc= -2.01! USER MOD Set 1.2: A 755 SER OG : rot 147:sc= 0.554 USER MOD Set 2.1: A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 746 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 718 LYS NZ :NH3+ 146:sc= 1.25 (180deg=0.603) USER MOD Set 3.2: A 758 GLN : amide:sc= -0.173 K(o=1.1,f=-0.43!) USER MOD Set 4.1: A 710 SER OG : rot -89:sc= 1.12 USER MOD Set 4.2: A 719 HIS : no HD1:sc= 0.936 K(o=2.1,f=-0.8) USER MOD Set 5.1: A 690 HIS : no HD1:sc= -3.58! C(o=-4.3!,f=-3.3!) USER MOD Set 5.2: A 694 THR OG1 : rot -144:sc= -0.749 USER MOD Single : A 668 TYR OH : rot 15:sc= -0.965 USER MOD Single : A 669 THR OG1 : rot 180:sc= 0 USER MOD Single : A 671 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.349 K(o=-0.35,f=-2.1!) USER MOD Single : A 678 MET CE :methyl -123:sc= -0.851 (180deg=-2.66!) USER MOD Single : A 681 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 683 THR OG1 : rot 87:sc= 0.632 USER MOD Single : A 685 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.34) USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 689 SER OG : rot 180:sc= 0 USER MOD Single : A 692 SER OG : rot 180:sc= 0 USER MOD Single : A 695 TYR OH : rot 180:sc= 0 USER MOD Single : A 712 LYS NZ :NH3+ -179:sc= -0.499 (180deg=-0.519) USER MOD Single : A 714 ASN : amide:sc= 0.169 X(o=0.17,f=0) USER MOD Single : A 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 725 LYS NZ :NH3+ -159:sc= 0.873 (180deg=0.291) USER MOD Single : A 727 ASN : amide:sc= 0 X(o=0,f=0.048) USER MOD Single : A 730 HIS : no HE2:sc= -2.6 K(o=-2.6,f=-9!) USER MOD Single : A 732 THR OG1 : rot 180:sc= 0 USER MOD Single : A 736 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 739 SER OG : rot 180:sc=-0.00113 USER MOD Single : A 748 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.004) USER MOD Single : A 749 CYS SG : rot 180:sc= 0 USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 751 SER OG : rot 180:sc= -0.234 USER MOD Single : A 753 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 757 LYS NZ :NH3+ -121:sc= 0.203 (180deg=0) USER MOD Single : A 761 THR OG1 : rot 180:sc= -0.185 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 USER MOD Single : A 767 TYR OH : rot 15:sc= 0.455 USER MOD Single : A 768 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 145 N TYR A 668 -7.240 1.789 11.199 1.00 0.00 N ATOM 146 CA TYR A 668 -7.260 1.365 9.799 1.00 0.00 C ATOM 147 C TYR A 668 -7.223 -0.160 9.671 1.00 0.00 C ATOM 148 O TYR A 668 -7.558 -0.707 8.620 1.00 0.00 O ATOM 149 CB TYR A 668 -6.088 1.983 9.040 1.00 0.00 C ATOM 150 CG TYR A 668 -6.333 3.415 8.621 1.00 0.00 C ATOM 151 CD1 TYR A 668 -6.094 4.465 9.496 1.00 0.00 C ATOM 152 CD2 TYR A 668 -6.811 3.712 7.351 1.00 0.00 C ATOM 153 CE1 TYR A 668 -6.321 5.774 9.117 1.00 0.00 C ATOM 154 CE2 TYR A 668 -7.041 5.017 6.964 1.00 0.00 C ATOM 155 CZ TYR A 668 -6.795 6.046 7.851 1.00 0.00 C ATOM 156 OH TYR A 668 -7.020 7.347 7.469 1.00 0.00 O ATOM 0 HA TYR A 668 -8.195 1.715 9.362 1.00 0.00 H new ATOM 0 HB2 TYR A 668 -5.197 1.943 9.667 1.00 0.00 H new ATOM 0 HB3 TYR A 668 -5.882 1.383 8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 668 -5.725 4.256 10.489 1.00 0.00 H new ATOM 0 HD2 TYR A 668 -7.006 2.909 6.655 1.00 0.00 H new ATOM 0 HE1 TYR A 668 -6.128 6.580 9.809 1.00 0.00 H new ATOM 0 HE2 TYR A 668 -7.411 5.232 5.973 1.00 0.00 H new ATOM 0 HH TYR A 668 -6.580 7.954 8.100 1.00 0.00 H new ATOM 166 N THR A 669 -6.821 -0.845 10.745 1.00 0.00 N ATOM 167 CA THR A 669 -6.754 -2.307 10.747 1.00 0.00 C ATOM 168 C THR A 669 -8.129 -2.926 10.481 1.00 0.00 C ATOM 169 O THR A 669 -8.226 -4.035 9.957 1.00 0.00 O ATOM 170 CB THR A 669 -6.208 -2.817 12.084 1.00 0.00 C ATOM 171 OG1 THR A 669 -7.076 -2.467 13.147 1.00 0.00 O ATOM 172 CG2 THR A 669 -4.832 -2.279 12.421 1.00 0.00 C ATOM 0 H THR A 669 -6.537 -0.410 11.623 1.00 0.00 H new ATOM 0 HA THR A 669 -6.079 -2.608 9.945 1.00 0.00 H new ATOM 0 HB THR A 669 -6.137 -3.899 11.968 1.00 0.00 H new ATOM 0 HG1 THR A 669 -6.711 -2.803 13.992 1.00 0.00 H new ATOM 0 HG21 THR A 669 -4.509 -2.682 13.381 1.00 0.00 H new ATOM 0 HG22 THR A 669 -4.125 -2.576 11.646 1.00 0.00 H new ATOM 0 HG23 THR A 669 -4.871 -1.191 12.479 1.00 0.00 H new ATOM 180 N ALA A 670 -9.189 -2.198 10.842 1.00 0.00 N ATOM 181 CA ALA A 670 -10.558 -2.671 10.640 1.00 0.00 C ATOM 182 C ALA A 670 -10.862 -2.895 9.158 1.00 0.00 C ATOM 183 O ALA A 670 -11.702 -3.727 8.811 1.00 0.00 O ATOM 184 CB ALA A 670 -11.547 -1.680 11.238 1.00 0.00 C ATOM 0 H ALA A 670 -9.123 -1.277 11.276 1.00 0.00 H new ATOM 0 HA ALA A 670 -10.660 -3.630 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 670 -12.563 -2.041 11.082 1.00 0.00 H new ATOM 0 HB2 ALA A 670 -11.358 -1.577 12.307 1.00 0.00 H new ATOM 0 HB3 ALA A 670 -11.428 -0.711 10.754 1.00 0.00 H new ATOM 190 N TYR A 671 -10.177 -2.153 8.288 1.00 0.00 N ATOM 191 CA TYR A 671 -10.375 -2.275 6.844 1.00 0.00 C ATOM 192 C TYR A 671 -9.950 -3.659 6.349 1.00 0.00 C ATOM 193 O TYR A 671 -9.051 -4.280 6.919 1.00 0.00 O ATOM 194 CB TYR A 671 -9.578 -1.196 6.103 1.00 0.00 C ATOM 195 CG TYR A 671 -10.120 0.206 6.285 1.00 0.00 C ATOM 196 CD1 TYR A 671 -9.860 0.929 7.444 1.00 0.00 C ATOM 197 CD2 TYR A 671 -10.883 0.807 5.294 1.00 0.00 C ATOM 198 CE1 TYR A 671 -10.346 2.211 7.609 1.00 0.00 C ATOM 199 CE2 TYR A 671 -11.373 2.089 5.452 1.00 0.00 C ATOM 200 CZ TYR A 671 -11.101 2.788 6.610 1.00 0.00 C ATOM 201 OH TYR A 671 -11.585 4.065 6.769 1.00 0.00 O ATOM 0 H TYR A 671 -9.479 -1.460 8.559 1.00 0.00 H new ATOM 0 HA TYR A 671 -11.437 -2.142 6.639 1.00 0.00 H new ATOM 0 HB2 TYR A 671 -8.544 -1.222 6.447 1.00 0.00 H new ATOM 0 HB3 TYR A 671 -9.566 -1.434 5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 671 -9.268 0.480 8.228 1.00 0.00 H new ATOM 0 HD2 TYR A 671 -11.097 0.264 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 671 -10.136 2.759 8.516 1.00 0.00 H new ATOM 0 HE2 TYR A 671 -11.967 2.542 4.672 1.00 0.00 H new ATOM 0 HH TYR A 671 -12.096 4.323 5.973 1.00 0.00 H new ATOM 211 N PRO A 672 -10.594 -4.161 5.276 1.00 0.00 N ATOM 212 CA PRO A 672 -10.275 -5.478 4.710 1.00 0.00 C ATOM 213 C PRO A 672 -8.927 -5.508 3.982 1.00 0.00 C ATOM 214 O PRO A 672 -8.292 -6.559 3.887 1.00 0.00 O ATOM 215 CB PRO A 672 -11.416 -5.726 3.723 1.00 0.00 C ATOM 216 CG PRO A 672 -11.879 -4.367 3.326 1.00 0.00 C ATOM 217 CD PRO A 672 -11.682 -3.489 4.533 1.00 0.00 C ATOM 0 HA PRO A 672 -10.186 -6.235 5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 672 -11.074 -6.296 2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 672 -12.220 -6.299 4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 672 -11.308 -3.994 2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 672 -12.926 -4.385 3.024 1.00 0.00 H new ATOM 0 HD2 PRO A 672 -11.406 -2.473 4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 672 -12.591 -3.418 5.130 1.00 0.00 H new ATOM 225 N TRP A 673 -8.498 -4.353 3.468 1.00 0.00 N ATOM 226 CA TRP A 673 -7.228 -4.258 2.745 1.00 0.00 C ATOM 227 C TRP A 673 -6.044 -4.053 3.695 1.00 0.00 C ATOM 228 O TRP A 673 -4.897 -4.333 3.333 1.00 0.00 O ATOM 229 CB TRP A 673 -7.273 -3.120 1.715 1.00 0.00 C ATOM 230 CG TRP A 673 -7.757 -1.810 2.268 1.00 0.00 C ATOM 231 CD1 TRP A 673 -8.979 -1.235 2.063 1.00 0.00 C ATOM 232 CD2 TRP A 673 -7.026 -0.911 3.111 1.00 0.00 C ATOM 233 NE1 TRP A 673 -9.055 -0.036 2.732 1.00 0.00 N ATOM 234 CE2 TRP A 673 -7.870 0.183 3.384 1.00 0.00 C ATOM 235 CE3 TRP A 673 -5.745 -0.928 3.664 1.00 0.00 C ATOM 236 CZ2 TRP A 673 -7.468 1.250 4.185 1.00 0.00 C ATOM 237 CZ3 TRP A 673 -5.348 0.129 4.459 1.00 0.00 C ATOM 238 CH2 TRP A 673 -6.208 1.204 4.715 1.00 0.00 C ATOM 0 H TRP A 673 -9.009 -3.473 3.539 1.00 0.00 H new ATOM 0 HA TRP A 673 -7.083 -5.206 2.227 1.00 0.00 H new ATOM 0 HB2 TRP A 673 -6.275 -2.980 1.300 1.00 0.00 H new ATOM 0 HB3 TRP A 673 -7.922 -3.416 0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 673 -9.770 -1.660 1.463 1.00 0.00 H new ATOM 0 HE1 TRP A 673 -9.862 0.588 2.741 1.00 0.00 H new ATOM 0 HE3 TRP A 673 -5.075 -1.754 3.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 673 -8.127 2.083 4.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 673 -4.358 0.127 4.890 1.00 0.00 H new ATOM 0 HH2 TRP A 673 -5.869 2.014 5.344 1.00 0.00 H new ATOM 249 N PHE A 674 -6.316 -3.558 4.903 1.00 0.00 N ATOM 250 CA PHE A 674 -5.264 -3.314 5.884 1.00 0.00 C ATOM 251 C PHE A 674 -4.826 -4.610 6.561 1.00 0.00 C ATOM 252 O PHE A 674 -5.652 -5.364 7.079 1.00 0.00 O ATOM 253 CB PHE A 674 -5.742 -2.307 6.936 1.00 0.00 C ATOM 254 CG PHE A 674 -4.636 -1.752 7.793 1.00 0.00 C ATOM 255 CD1 PHE A 674 -3.990 -2.556 8.720 1.00 0.00 C ATOM 256 CD2 PHE A 674 -4.247 -0.427 7.675 1.00 0.00 C ATOM 257 CE1 PHE A 674 -2.977 -2.051 9.509 1.00 0.00 C ATOM 258 CE2 PHE A 674 -3.234 0.083 8.464 1.00 0.00 C ATOM 259 CZ PHE A 674 -2.598 -0.729 9.382 1.00 0.00 C ATOM 0 H PHE A 674 -7.255 -3.319 5.223 1.00 0.00 H new ATOM 0 HA PHE A 674 -4.404 -2.900 5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 674 -6.248 -1.483 6.433 1.00 0.00 H new ATOM 0 HB3 PHE A 674 -6.479 -2.789 7.578 1.00 0.00 H new ATOM 0 HD1 PHE A 674 -4.283 -3.590 8.826 1.00 0.00 H new ATOM 0 HD2 PHE A 674 -4.741 0.213 6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 674 -2.481 -2.689 10.225 1.00 0.00 H new ATOM 0 HE2 PHE A 674 -2.939 1.117 8.363 1.00 0.00 H new ATOM 0 HZ PHE A 674 -1.806 -0.331 9.999 1.00 0.00 H new ATOM 269 N ALA A 675 -3.516 -4.855 6.560 1.00 0.00 N ATOM 270 CA ALA A 675 -2.947 -6.048 7.176 1.00 0.00 C ATOM 271 C ALA A 675 -1.922 -5.675 8.243 1.00 0.00 C ATOM 272 O ALA A 675 -1.397 -4.559 8.247 1.00 0.00 O ATOM 273 CB ALA A 675 -2.306 -6.938 6.122 1.00 0.00 C ATOM 0 H ALA A 675 -2.826 -4.236 6.135 1.00 0.00 H new ATOM 0 HA ALA A 675 -3.757 -6.598 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 675 -1.887 -7.823 6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 675 -3.059 -7.241 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 675 -1.512 -6.389 5.616 1.00 0.00 H new ATOM 279 N GLY A 676 -1.636 -6.614 9.143 1.00 0.00 N ATOM 280 CA GLY A 676 -0.669 -6.363 10.197 1.00 0.00 C ATOM 281 C GLY A 676 0.765 -6.443 9.703 1.00 0.00 C ATOM 282 O GLY A 676 1.058 -6.058 8.569 1.00 0.00 O ATOM 0 H GLY A 676 -2.057 -7.543 9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 676 -0.849 -5.376 10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 676 -0.814 -7.087 10.999 1.00 0.00 H new ATOM 286 N ASN A 677 1.658 -6.948 10.548 1.00 0.00 N ATOM 287 CA ASN A 677 3.065 -7.080 10.182 1.00 0.00 C ATOM 288 C ASN A 677 3.277 -8.309 9.298 1.00 0.00 C ATOM 289 O ASN A 677 3.655 -9.380 9.778 1.00 0.00 O ATOM 290 CB ASN A 677 3.942 -7.168 11.433 1.00 0.00 C ATOM 291 CG ASN A 677 5.417 -6.996 11.117 1.00 0.00 C ATOM 292 OD1 ASN A 677 5.953 -7.655 10.225 1.00 0.00 O ATOM 293 ND2 ASN A 677 6.083 -6.108 11.849 1.00 0.00 N ATOM 0 H ASN A 677 1.434 -7.272 11.489 1.00 0.00 H new ATOM 0 HA ASN A 677 3.355 -6.193 9.618 1.00 0.00 H new ATOM 0 HB2 ASN A 677 3.634 -6.402 12.145 1.00 0.00 H new ATOM 0 HB3 ASN A 677 3.786 -8.133 11.916 1.00 0.00 H new ATOM 0 HD21 ASN A 677 7.077 -5.951 11.681 1.00 0.00 H new ATOM 0 HD22 ASN A 677 5.600 -5.583 12.578 1.00 0.00 H new ATOM 300 N MET A 678 3.025 -8.143 8.002 1.00 0.00 N ATOM 301 CA MET A 678 3.180 -9.230 7.040 1.00 0.00 C ATOM 302 C MET A 678 4.617 -9.307 6.525 1.00 0.00 C ATOM 303 O MET A 678 5.239 -8.282 6.239 1.00 0.00 O ATOM 304 CB MET A 678 2.212 -9.041 5.871 1.00 0.00 C ATOM 305 CG MET A 678 1.041 -10.009 5.882 1.00 0.00 C ATOM 306 SD MET A 678 -0.340 -9.428 4.879 1.00 0.00 S ATOM 307 CE MET A 678 -1.690 -10.382 5.566 1.00 0.00 C ATOM 0 H MET A 678 2.711 -7.263 7.593 1.00 0.00 H new ATOM 0 HA MET A 678 2.950 -10.167 7.547 1.00 0.00 H new ATOM 0 HB2 MET A 678 1.828 -8.021 5.890 1.00 0.00 H new ATOM 0 HB3 MET A 678 2.759 -9.158 4.936 1.00 0.00 H new ATOM 0 HG2 MET A 678 1.372 -10.980 5.512 1.00 0.00 H new ATOM 0 HG3 MET A 678 0.705 -10.156 6.908 1.00 0.00 H new ATOM 0 HE1 MET A 678 -2.167 -10.960 4.774 1.00 0.00 H new ATOM 0 HE2 MET A 678 -1.306 -11.059 6.329 1.00 0.00 H new ATOM 0 HE3 MET A 678 -2.421 -9.708 6.014 1.00 0.00 H new ATOM 317 N GLU A 679 5.137 -10.529 6.415 1.00 0.00 N ATOM 318 CA GLU A 679 6.506 -10.746 5.941 1.00 0.00 C ATOM 319 C GLU A 679 6.597 -10.633 4.421 1.00 0.00 C ATOM 320 O GLU A 679 5.588 -10.710 3.717 1.00 0.00 O ATOM 321 CB GLU A 679 7.014 -12.126 6.379 1.00 0.00 C ATOM 322 CG GLU A 679 6.729 -12.459 7.836 1.00 0.00 C ATOM 323 CD GLU A 679 6.962 -13.924 8.154 1.00 0.00 C ATOM 324 OE1 GLU A 679 6.031 -14.733 7.946 1.00 0.00 O ATOM 325 OE2 GLU A 679 8.075 -14.264 8.608 1.00 0.00 O ATOM 0 H GLU A 679 4.632 -11.384 6.647 1.00 0.00 H new ATOM 0 HA GLU A 679 7.130 -9.969 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 679 6.556 -12.887 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 679 8.090 -12.176 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 679 7.364 -11.846 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 679 5.696 -12.200 8.069 1.00 0.00 H new ATOM 332 N ARG A 680 7.821 -10.463 3.920 1.00 0.00 N ATOM 333 CA ARG A 680 8.057 -10.353 2.483 1.00 0.00 C ATOM 334 C ARG A 680 7.746 -11.674 1.784 1.00 0.00 C ATOM 335 O ARG A 680 6.990 -11.708 0.813 1.00 0.00 O ATOM 336 CB ARG A 680 9.505 -9.944 2.207 1.00 0.00 C ATOM 337 CG ARG A 680 9.655 -8.993 1.032 1.00 0.00 C ATOM 338 CD ARG A 680 10.491 -9.608 -0.080 1.00 0.00 C ATOM 339 NE ARG A 680 9.849 -9.483 -1.391 1.00 0.00 N ATOM 340 CZ ARG A 680 10.292 -10.083 -2.501 1.00 0.00 C ATOM 341 NH1 ARG A 680 11.377 -10.852 -2.468 1.00 0.00 N ATOM 342 NH2 ARG A 680 9.648 -9.912 -3.649 1.00 0.00 N ATOM 0 H ARG A 680 8.664 -10.399 4.490 1.00 0.00 H new ATOM 0 HA ARG A 680 7.393 -9.584 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 680 9.917 -9.473 3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 680 10.097 -10.839 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 680 8.670 -8.732 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 680 10.121 -8.067 1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 680 11.467 -9.124 -0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 680 10.664 -10.662 0.139 1.00 0.00 H new ATOM 0 HE ARG A 680 9.013 -8.903 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 680 11.879 -10.988 -1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 680 11.707 -11.305 -3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 680 8.816 -9.323 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 680 9.985 -10.369 -4.496 1.00 0.00 H new ATOM 356 N GLN A 681 8.333 -12.760 2.292 1.00 0.00 N ATOM 357 CA GLN A 681 8.120 -14.093 1.725 1.00 0.00 C ATOM 358 C GLN A 681 6.646 -14.496 1.806 1.00 0.00 C ATOM 359 O GLN A 681 6.142 -15.209 0.937 1.00 0.00 O ATOM 360 CB GLN A 681 8.992 -15.131 2.445 1.00 0.00 C ATOM 361 CG GLN A 681 8.755 -15.215 3.949 1.00 0.00 C ATOM 362 CD GLN A 681 10.051 -15.258 4.739 1.00 0.00 C ATOM 363 OE1 GLN A 681 10.607 -16.330 4.980 1.00 0.00 O ATOM 364 NE2 GLN A 681 10.540 -14.092 5.147 1.00 0.00 N ATOM 0 H GLN A 681 8.960 -12.742 3.096 1.00 0.00 H new ATOM 0 HA GLN A 681 8.409 -14.059 0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 681 8.808 -16.111 2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 681 10.041 -14.893 2.267 1.00 0.00 H new ATOM 0 HG2 GLN A 681 8.166 -14.356 4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 681 8.167 -16.105 4.172 1.00 0.00 H new ATOM 0 HE21 GLN A 681 10.047 -13.227 4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 681 11.408 -14.062 5.682 1.00 0.00 H new ATOM 373 N GLN A 682 5.960 -14.036 2.853 1.00 0.00 N ATOM 374 CA GLN A 682 4.550 -14.346 3.046 1.00 0.00 C ATOM 375 C GLN A 682 3.687 -13.579 2.055 1.00 0.00 C ATOM 376 O GLN A 682 2.933 -14.172 1.284 1.00 0.00 O ATOM 377 CB GLN A 682 4.123 -13.989 4.467 1.00 0.00 C ATOM 378 CG GLN A 682 3.329 -15.083 5.161 1.00 0.00 C ATOM 379 CD GLN A 682 1.952 -14.620 5.598 1.00 0.00 C ATOM 380 OE1 GLN A 682 1.748 -14.246 6.752 1.00 0.00 O ATOM 381 NE2 GLN A 682 0.997 -14.648 4.673 1.00 0.00 N ATOM 0 H GLN A 682 6.363 -13.446 3.581 1.00 0.00 H new ATOM 0 HA GLN A 682 4.414 -15.415 2.880 1.00 0.00 H new ATOM 0 HB2 GLN A 682 5.011 -13.767 5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 682 3.523 -13.080 4.439 1.00 0.00 H new ATOM 0 HG2 GLN A 682 3.225 -15.934 4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 682 3.884 -15.432 6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 682 1.212 -14.966 3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 682 0.050 -14.352 4.909 1.00 0.00 H new ATOM 390 N THR A 683 3.801 -12.253 2.093 1.00 0.00 N ATOM 391 CA THR A 683 3.029 -11.380 1.205 1.00 0.00 C ATOM 392 C THR A 683 3.189 -11.803 -0.254 1.00 0.00 C ATOM 393 O THR A 683 2.221 -11.801 -1.018 1.00 0.00 O ATOM 394 CB THR A 683 3.457 -9.919 1.376 1.00 0.00 C ATOM 395 OG1 THR A 683 3.374 -9.524 2.735 1.00 0.00 O ATOM 396 CG2 THR A 683 2.621 -8.948 0.567 1.00 0.00 C ATOM 0 H THR A 683 4.423 -11.756 2.731 1.00 0.00 H new ATOM 0 HA THR A 683 1.978 -11.473 1.479 1.00 0.00 H new ATOM 0 HB THR A 683 4.484 -9.879 1.014 1.00 0.00 H new ATOM 0 HG1 THR A 683 4.208 -9.755 3.194 1.00 0.00 H new ATOM 0 HG21 THR A 683 2.979 -7.932 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 683 2.704 -9.191 -0.492 1.00 0.00 H new ATOM 0 HG23 THR A 683 1.578 -9.021 0.875 1.00 0.00 H new ATOM 404 N ASP A 684 4.416 -12.171 -0.634 1.00 0.00 N ATOM 405 CA ASP A 684 4.701 -12.603 -2.002 1.00 0.00 C ATOM 406 C ASP A 684 3.959 -13.898 -2.327 1.00 0.00 C ATOM 407 O ASP A 684 3.364 -14.028 -3.396 1.00 0.00 O ATOM 408 CB ASP A 684 6.211 -12.802 -2.205 1.00 0.00 C ATOM 409 CG ASP A 684 6.660 -12.556 -3.639 1.00 0.00 C ATOM 410 OD1 ASP A 684 5.802 -12.538 -4.547 1.00 0.00 O ATOM 411 OD2 ASP A 684 7.878 -12.385 -3.855 1.00 0.00 O ATOM 0 H ASP A 684 5.225 -12.178 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 684 4.355 -11.822 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 684 6.752 -12.128 -1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 684 6.479 -13.818 -1.916 1.00 0.00 H new ATOM 416 N ASN A 685 3.999 -14.853 -1.395 1.00 0.00 N ATOM 417 CA ASN A 685 3.330 -16.142 -1.582 1.00 0.00 C ATOM 418 C ASN A 685 1.808 -15.996 -1.539 1.00 0.00 C ATOM 419 O ASN A 685 1.092 -16.678 -2.272 1.00 0.00 O ATOM 420 CB ASN A 685 3.792 -17.142 -0.514 1.00 0.00 C ATOM 421 CG ASN A 685 5.047 -17.890 -0.927 1.00 0.00 C ATOM 422 OD1 ASN A 685 5.134 -18.411 -2.040 1.00 0.00 O ATOM 423 ND2 ASN A 685 6.026 -17.949 -0.031 1.00 0.00 N ATOM 0 H ASN A 685 4.487 -14.758 -0.504 1.00 0.00 H new ATOM 0 HA ASN A 685 3.604 -16.517 -2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 685 3.979 -16.612 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A 685 2.993 -17.857 -0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 685 6.892 -18.440 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 685 5.912 -17.503 0.879 1.00 0.00 H new ATOM 430 N LEU A 686 1.320 -15.102 -0.679 1.00 0.00 N ATOM 431 CA LEU A 686 -0.117 -14.866 -0.544 1.00 0.00 C ATOM 432 C LEU A 686 -0.711 -14.363 -1.857 1.00 0.00 C ATOM 433 O LEU A 686 -1.713 -14.894 -2.338 1.00 0.00 O ATOM 434 CB LEU A 686 -0.386 -13.852 0.573 1.00 0.00 C ATOM 435 CG LEU A 686 -1.864 -13.620 0.908 1.00 0.00 C ATOM 436 CD1 LEU A 686 -2.051 -13.461 2.410 1.00 0.00 C ATOM 437 CD2 LEU A 686 -2.396 -12.397 0.173 1.00 0.00 C ATOM 0 H LEU A 686 1.899 -14.529 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 686 -0.594 -15.813 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 686 0.125 -14.187 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 686 0.059 -12.898 0.290 1.00 0.00 H new ATOM 0 HG LEU A 686 -2.430 -14.491 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 686 -3.106 -13.297 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 686 -1.711 -14.364 2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 686 -1.470 -12.608 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 686 -3.446 -12.250 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 686 -1.825 -11.517 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 686 -2.298 -12.547 -0.902 1.00 0.00 H new ATOM 449 N LEU A 687 -0.086 -13.339 -2.432 1.00 0.00 N ATOM 450 CA LEU A 687 -0.551 -12.766 -3.692 1.00 0.00 C ATOM 451 C LEU A 687 -0.158 -13.642 -4.886 1.00 0.00 C ATOM 452 O LEU A 687 -0.722 -13.501 -5.973 1.00 0.00 O ATOM 453 CB LEU A 687 0.001 -11.351 -3.878 1.00 0.00 C ATOM 454 CG LEU A 687 -0.470 -10.323 -2.842 1.00 0.00 C ATOM 455 CD1 LEU A 687 0.301 -9.019 -3.000 1.00 0.00 C ATOM 456 CD2 LEU A 687 -1.969 -10.080 -2.972 1.00 0.00 C ATOM 0 H LEU A 687 0.744 -12.889 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 687 -1.639 -12.720 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 687 1.090 -11.397 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 687 -0.279 -10.997 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 687 -0.274 -10.721 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 687 -0.045 -8.300 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 687 1.365 -9.206 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 687 0.135 -8.617 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 687 -2.285 -9.348 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 687 -2.191 -9.703 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 687 -2.505 -11.015 -2.810 1.00 0.00 H new ATOM 468 N LYS A 688 0.807 -14.549 -4.683 1.00 0.00 N ATOM 469 CA LYS A 688 1.254 -15.443 -5.753 1.00 0.00 C ATOM 470 C LYS A 688 0.073 -16.226 -6.337 1.00 0.00 C ATOM 471 O LYS A 688 0.026 -16.482 -7.540 1.00 0.00 O ATOM 472 CB LYS A 688 2.326 -16.416 -5.240 1.00 0.00 C ATOM 473 CG LYS A 688 3.679 -16.245 -5.917 1.00 0.00 C ATOM 474 CD LYS A 688 4.789 -16.947 -5.146 1.00 0.00 C ATOM 475 CE LYS A 688 6.080 -17.007 -5.956 1.00 0.00 C ATOM 476 NZ LYS A 688 7.290 -16.866 -5.096 1.00 0.00 N ATOM 0 H LYS A 688 1.288 -14.681 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 688 1.689 -14.828 -6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 688 2.447 -16.277 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 688 1.980 -17.438 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 688 3.632 -16.644 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 688 3.911 -15.183 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 688 4.971 -16.422 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 688 4.472 -17.958 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 688 6.126 -17.954 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 688 6.074 -16.215 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 688 8.144 -16.913 -5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 688 7.260 -15.951 -4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 688 7.311 -17.636 -4.397 1.00 0.00 H new ATOM 490 N SER A 689 -0.878 -16.599 -5.476 1.00 0.00 N ATOM 491 CA SER A 689 -2.062 -17.348 -5.904 1.00 0.00 C ATOM 492 C SER A 689 -3.212 -16.412 -6.304 1.00 0.00 C ATOM 493 O SER A 689 -4.054 -16.778 -7.123 1.00 0.00 O ATOM 494 CB SER A 689 -2.526 -18.289 -4.787 1.00 0.00 C ATOM 495 OG SER A 689 -1.651 -19.396 -4.656 1.00 0.00 O ATOM 0 H SER A 689 -0.851 -16.394 -4.477 1.00 0.00 H new ATOM 0 HA SER A 689 -1.782 -17.932 -6.781 1.00 0.00 H new ATOM 0 HB2 SER A 689 -2.572 -17.744 -3.844 1.00 0.00 H new ATOM 0 HB3 SER A 689 -3.535 -18.642 -5.000 1.00 0.00 H new ATOM 0 HG SER A 689 -1.968 -19.980 -3.936 1.00 0.00 H new ATOM 501 N HIS A 690 -3.244 -15.212 -5.720 1.00 0.00 N ATOM 502 CA HIS A 690 -4.298 -14.233 -6.011 1.00 0.00 C ATOM 503 C HIS A 690 -4.280 -13.794 -7.480 1.00 0.00 C ATOM 504 O HIS A 690 -3.315 -14.044 -8.203 1.00 0.00 O ATOM 505 CB HIS A 690 -4.143 -13.003 -5.111 1.00 0.00 C ATOM 506 CG HIS A 690 -4.788 -13.148 -3.766 1.00 0.00 C ATOM 507 ND1 HIS A 690 -6.153 -13.250 -3.591 1.00 0.00 N ATOM 508 CD2 HIS A 690 -4.249 -13.192 -2.525 1.00 0.00 C ATOM 509 CE1 HIS A 690 -6.424 -13.349 -2.302 1.00 0.00 C ATOM 510 NE2 HIS A 690 -5.286 -13.317 -1.634 1.00 0.00 N ATOM 0 H HIS A 690 -2.552 -14.893 -5.042 1.00 0.00 H new ATOM 0 HA HIS A 690 -5.254 -14.718 -5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 690 -3.081 -12.797 -4.973 1.00 0.00 H new ATOM 0 HB3 HIS A 690 -4.572 -12.138 -5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 690 -3.198 -13.139 -2.281 1.00 0.00 H new ATOM 0 HE1 HIS A 690 -7.409 -13.441 -1.868 1.00 0.00 H new ATOM 0 HE2 HIS A 690 -5.192 -13.376 -0.620 1.00 0.00 H new ATOM 519 N ALA A 691 -5.362 -13.134 -7.906 1.00 0.00 N ATOM 520 CA ALA A 691 -5.481 -12.650 -9.283 1.00 0.00 C ATOM 521 C ALA A 691 -4.652 -11.380 -9.500 1.00 0.00 C ATOM 522 O ALA A 691 -3.878 -10.979 -8.630 1.00 0.00 O ATOM 523 CB ALA A 691 -6.947 -12.394 -9.625 1.00 0.00 C ATOM 0 H ALA A 691 -6.167 -12.923 -7.316 1.00 0.00 H new ATOM 0 HA ALA A 691 -5.090 -13.420 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 691 -7.024 -12.034 -10.651 1.00 0.00 H new ATOM 0 HB2 ALA A 691 -7.512 -13.321 -9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 691 -7.353 -11.644 -8.946 1.00 0.00 H new ATOM 529 N SER A 692 -4.818 -10.749 -10.667 1.00 0.00 N ATOM 530 CA SER A 692 -4.081 -9.525 -10.995 1.00 0.00 C ATOM 531 C SER A 692 -4.818 -8.261 -10.526 1.00 0.00 C ATOM 532 O SER A 692 -4.634 -7.185 -11.097 1.00 0.00 O ATOM 533 CB SER A 692 -3.836 -9.445 -12.505 1.00 0.00 C ATOM 534 OG SER A 692 -3.116 -10.573 -12.969 1.00 0.00 O ATOM 0 H SER A 692 -5.455 -11.065 -11.398 1.00 0.00 H new ATOM 0 HA SER A 692 -3.129 -9.571 -10.466 1.00 0.00 H new ATOM 0 HB2 SER A 692 -4.790 -9.380 -13.028 1.00 0.00 H new ATOM 0 HB3 SER A 692 -3.282 -8.536 -12.738 1.00 0.00 H new ATOM 0 HG SER A 692 -2.975 -10.496 -13.936 1.00 0.00 H new ATOM 540 N GLY A 693 -5.637 -8.390 -9.480 1.00 0.00 N ATOM 541 CA GLY A 693 -6.369 -7.243 -8.958 1.00 0.00 C ATOM 542 C GLY A 693 -6.493 -7.272 -7.443 1.00 0.00 C ATOM 543 O GLY A 693 -7.416 -6.680 -6.878 1.00 0.00 O ATOM 0 H GLY A 693 -5.806 -9.266 -8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 693 -5.864 -6.326 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 693 -7.365 -7.220 -9.400 1.00 0.00 H new ATOM 547 N THR A 694 -5.562 -7.968 -6.787 1.00 0.00 N ATOM 548 CA THR A 694 -5.562 -8.085 -5.333 1.00 0.00 C ATOM 549 C THR A 694 -4.517 -7.157 -4.715 1.00 0.00 C ATOM 550 O THR A 694 -3.341 -7.201 -5.081 1.00 0.00 O ATOM 551 CB THR A 694 -5.289 -9.536 -4.925 1.00 0.00 C ATOM 552 OG1 THR A 694 -6.081 -10.435 -5.686 1.00 0.00 O ATOM 553 CG2 THR A 694 -5.566 -9.807 -3.463 1.00 0.00 C ATOM 0 H THR A 694 -4.796 -8.461 -7.246 1.00 0.00 H new ATOM 0 HA THR A 694 -6.543 -7.789 -4.962 1.00 0.00 H new ATOM 0 HB THR A 694 -4.227 -9.692 -5.115 1.00 0.00 H new ATOM 0 HG1 THR A 694 -6.353 -11.189 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 694 -5.353 -10.852 -3.240 1.00 0.00 H new ATOM 0 HG22 THR A 694 -4.932 -9.168 -2.848 1.00 0.00 H new ATOM 0 HG23 THR A 694 -6.613 -9.596 -3.246 1.00 0.00 H new ATOM 561 N TYR A 695 -4.956 -6.315 -3.776 1.00 0.00 N ATOM 562 CA TYR A 695 -4.062 -5.368 -3.107 1.00 0.00 C ATOM 563 C TYR A 695 -4.109 -5.528 -1.586 1.00 0.00 C ATOM 564 O TYR A 695 -5.074 -6.065 -1.037 1.00 0.00 O ATOM 565 CB TYR A 695 -4.432 -3.930 -3.493 1.00 0.00 C ATOM 566 CG TYR A 695 -5.796 -3.492 -3.000 1.00 0.00 C ATOM 567 CD1 TYR A 695 -6.949 -3.816 -3.705 1.00 0.00 C ATOM 568 CD2 TYR A 695 -5.930 -2.758 -1.827 1.00 0.00 C ATOM 569 CE1 TYR A 695 -8.194 -3.420 -3.257 1.00 0.00 C ATOM 570 CE2 TYR A 695 -7.173 -2.357 -1.374 1.00 0.00 C ATOM 571 CZ TYR A 695 -8.302 -2.692 -2.090 1.00 0.00 C ATOM 572 OH TYR A 695 -9.542 -2.298 -1.639 1.00 0.00 O ATOM 0 H TYR A 695 -5.925 -6.270 -3.462 1.00 0.00 H new ATOM 0 HA TYR A 695 -3.045 -5.582 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 695 -3.678 -3.252 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 695 -4.402 -3.837 -4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 695 -6.870 -4.387 -4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 695 -5.049 -2.497 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 695 -9.080 -3.679 -3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 695 -7.259 -1.784 -0.463 1.00 0.00 H new ATOM 0 HH TYR A 695 -9.442 -1.795 -0.804 1.00 0.00 H new ATOM 582 N LEU A 696 -3.059 -5.050 -0.911 1.00 0.00 N ATOM 583 CA LEU A 696 -2.969 -5.130 0.548 1.00 0.00 C ATOM 584 C LEU A 696 -1.864 -4.221 1.087 1.00 0.00 C ATOM 585 O LEU A 696 -0.918 -3.884 0.372 1.00 0.00 O ATOM 586 CB LEU A 696 -2.712 -6.575 0.992 1.00 0.00 C ATOM 587 CG LEU A 696 -1.381 -7.173 0.525 1.00 0.00 C ATOM 588 CD1 LEU A 696 -0.314 -7.021 1.601 1.00 0.00 C ATOM 589 CD2 LEU A 696 -1.561 -8.638 0.150 1.00 0.00 C ATOM 0 H LEU A 696 -2.257 -4.602 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 696 -3.922 -4.793 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -2.748 -6.616 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -3.523 -7.202 0.622 1.00 0.00 H new ATOM 0 HG LEU A 696 -1.050 -6.628 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 696 0.623 -7.452 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -0.167 -5.964 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -0.633 -7.538 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -0.607 -9.049 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -1.916 -9.195 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -2.290 -8.720 -0.656 1.00 0.00 H new ATOM 601 N ILE A 697 -1.989 -3.833 2.358 1.00 0.00 N ATOM 602 CA ILE A 697 -1.003 -2.968 3.004 1.00 0.00 C ATOM 603 C ILE A 697 -0.508 -3.586 4.311 1.00 0.00 C ATOM 604 O ILE A 697 -1.291 -3.818 5.234 1.00 0.00 O ATOM 605 CB ILE A 697 -1.580 -1.564 3.290 1.00 0.00 C ATOM 606 CG1 ILE A 697 -2.243 -0.995 2.032 1.00 0.00 C ATOM 607 CG2 ILE A 697 -0.487 -0.628 3.790 1.00 0.00 C ATOM 608 CD1 ILE A 697 -2.981 0.305 2.266 1.00 0.00 C ATOM 0 H ILE A 697 -2.766 -4.106 2.960 1.00 0.00 H new ATOM 0 HA ILE A 697 -0.167 -2.867 2.312 1.00 0.00 H new ATOM 0 HB ILE A 697 -2.337 -1.652 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 697 -1.480 -0.837 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 697 -2.941 -1.732 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 697 -0.912 0.356 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 697 -0.058 -1.028 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 697 0.293 -0.542 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 697 -3.424 0.646 1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 697 -3.768 0.149 3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 697 -2.284 1.058 2.633 1.00 0.00 H new ATOM 620 N ARG A 698 0.798 -3.846 4.380 1.00 0.00 N ATOM 621 CA ARG A 698 1.412 -4.437 5.569 1.00 0.00 C ATOM 622 C ARG A 698 2.220 -3.400 6.349 1.00 0.00 C ATOM 623 O ARG A 698 2.661 -2.393 5.792 1.00 0.00 O ATOM 624 CB ARG A 698 2.316 -5.610 5.173 1.00 0.00 C ATOM 625 CG ARG A 698 3.525 -5.204 4.344 1.00 0.00 C ATOM 626 CD ARG A 698 3.682 -6.080 3.112 1.00 0.00 C ATOM 627 NE ARG A 698 4.932 -5.812 2.404 1.00 0.00 N ATOM 628 CZ ARG A 698 6.116 -6.321 2.758 1.00 0.00 C ATOM 629 NH1 ARG A 698 6.217 -7.134 3.808 1.00 0.00 N ATOM 630 NH2 ARG A 698 7.203 -6.011 2.061 1.00 0.00 N ATOM 0 H ARG A 698 1.454 -3.655 3.622 1.00 0.00 H new ATOM 0 HA ARG A 698 0.611 -4.801 6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 698 2.660 -6.112 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 698 1.728 -6.335 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 698 3.424 -4.162 4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 698 4.425 -5.271 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 698 3.650 -7.129 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 698 2.841 -5.913 2.439 1.00 0.00 H new ATOM 0 HE ARG A 698 4.899 -5.199 1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 698 5.386 -7.373 4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 698 7.125 -7.518 4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 698 7.133 -5.386 1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 698 8.108 -6.398 2.329 1.00 0.00 H new ATOM 644 N GLU A 699 2.416 -3.663 7.641 1.00 0.00 N ATOM 645 CA GLU A 699 3.177 -2.765 8.505 1.00 0.00 C ATOM 646 C GLU A 699 4.570 -3.329 8.777 1.00 0.00 C ATOM 647 O GLU A 699 4.711 -4.459 9.247 1.00 0.00 O ATOM 648 CB GLU A 699 2.432 -2.536 9.825 1.00 0.00 C ATOM 649 CG GLU A 699 3.144 -1.571 10.766 1.00 0.00 C ATOM 650 CD GLU A 699 3.524 -2.204 12.095 1.00 0.00 C ATOM 651 OE1 GLU A 699 4.021 -3.352 12.091 1.00 0.00 O ATOM 652 OE2 GLU A 699 3.331 -1.547 13.140 1.00 0.00 O ATOM 0 H GLU A 699 2.057 -4.493 8.112 1.00 0.00 H new ATOM 0 HA GLU A 699 3.286 -1.809 7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 699 1.436 -2.151 9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 699 2.301 -3.493 10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 699 4.044 -1.196 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 699 2.500 -0.712 10.951 1.00 0.00 H new ATOM 659 N ARG A 700 5.596 -2.534 8.475 1.00 0.00 N ATOM 660 CA ARG A 700 6.980 -2.951 8.683 1.00 0.00 C ATOM 661 C ARG A 700 7.793 -1.839 9.352 1.00 0.00 C ATOM 662 O ARG A 700 7.663 -0.667 8.996 1.00 0.00 O ATOM 663 CB ARG A 700 7.618 -3.337 7.347 1.00 0.00 C ATOM 664 CG ARG A 700 8.149 -4.763 7.311 1.00 0.00 C ATOM 665 CD ARG A 700 8.837 -5.065 5.988 1.00 0.00 C ATOM 666 NE ARG A 700 9.983 -4.184 5.748 1.00 0.00 N ATOM 667 CZ ARG A 700 10.848 -4.340 4.744 1.00 0.00 C ATOM 668 NH1 ARG A 700 10.727 -5.358 3.899 1.00 0.00 N ATOM 669 NH2 ARG A 700 11.844 -3.474 4.588 1.00 0.00 N ATOM 0 H ARG A 700 5.493 -1.597 8.085 1.00 0.00 H new ATOM 0 HA ARG A 700 6.980 -3.818 9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 700 6.881 -3.213 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 700 8.436 -2.649 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 700 8.852 -4.912 8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 700 7.328 -5.463 7.464 1.00 0.00 H new ATOM 0 HD2 ARG A 700 9.171 -6.103 5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 700 8.120 -4.956 5.174 1.00 0.00 H new ATOM 0 HE ARG A 700 10.129 -3.403 6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 700 9.968 -6.029 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 700 11.393 -5.468 3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 700 11.946 -2.692 5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 700 12.506 -3.591 3.821 1.00 0.00 H new ATOM 683 N PRO A 701 8.639 -2.195 10.339 1.00 0.00 N ATOM 684 CA PRO A 701 9.467 -1.225 11.064 1.00 0.00 C ATOM 685 C PRO A 701 10.684 -0.763 10.257 1.00 0.00 C ATOM 686 O PRO A 701 11.744 -1.390 10.302 1.00 0.00 O ATOM 687 CB PRO A 701 9.903 -2.005 12.306 1.00 0.00 C ATOM 688 CG PRO A 701 9.932 -3.428 11.867 1.00 0.00 C ATOM 689 CD PRO A 701 8.845 -3.574 10.832 1.00 0.00 C ATOM 0 HA PRO A 701 8.923 -0.307 11.285 1.00 0.00 H new ATOM 0 HB2 PRO A 701 10.882 -1.678 12.655 1.00 0.00 H new ATOM 0 HB3 PRO A 701 9.205 -1.859 13.131 1.00 0.00 H new ATOM 0 HG2 PRO A 701 10.905 -3.686 11.448 1.00 0.00 H new ATOM 0 HG3 PRO A 701 9.760 -4.098 12.709 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.146 -4.245 10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 701 7.933 -3.984 11.265 1.00 0.00 H new ATOM 697 N ALA A 702 10.522 0.338 9.525 1.00 0.00 N ATOM 698 CA ALA A 702 11.606 0.892 8.713 1.00 0.00 C ATOM 699 C ALA A 702 12.102 2.218 9.291 1.00 0.00 C ATOM 700 O ALA A 702 11.452 2.808 10.156 1.00 0.00 O ATOM 701 CB ALA A 702 11.145 1.077 7.273 1.00 0.00 C ATOM 0 H ALA A 702 9.650 0.865 9.477 1.00 0.00 H new ATOM 0 HA ALA A 702 12.437 0.187 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 702 11.961 1.490 6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 702 10.847 0.113 6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 702 10.296 1.760 7.248 1.00 0.00 H new ATOM 707 N GLU A 703 13.259 2.680 8.814 1.00 0.00 N ATOM 708 CA GLU A 703 13.841 3.933 9.293 1.00 0.00 C ATOM 709 C GLU A 703 13.075 5.139 8.747 1.00 0.00 C ATOM 710 O GLU A 703 12.479 5.901 9.511 1.00 0.00 O ATOM 711 CB GLU A 703 15.319 4.026 8.900 1.00 0.00 C ATOM 712 CG GLU A 703 16.201 3.002 9.596 1.00 0.00 C ATOM 713 CD GLU A 703 17.264 2.427 8.680 1.00 0.00 C ATOM 714 OE1 GLU A 703 18.363 3.015 8.603 1.00 0.00 O ATOM 715 OE2 GLU A 703 16.996 1.388 8.039 1.00 0.00 O ATOM 0 H GLU A 703 13.810 2.206 8.098 1.00 0.00 H new ATOM 0 HA GLU A 703 13.765 3.942 10.380 1.00 0.00 H new ATOM 0 HB2 GLU A 703 15.408 3.896 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 703 15.685 5.026 9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 703 16.682 3.467 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 703 15.579 2.192 9.978 1.00 0.00 H new ATOM 722 N ALA A 704 13.092 5.305 7.424 1.00 0.00 N ATOM 723 CA ALA A 704 12.393 6.416 6.783 1.00 0.00 C ATOM 724 C ALA A 704 10.925 6.074 6.528 1.00 0.00 C ATOM 725 O ALA A 704 10.055 6.942 6.614 1.00 0.00 O ATOM 726 CB ALA A 704 13.078 6.795 5.476 1.00 0.00 C ATOM 0 H ALA A 704 13.581 4.685 6.778 1.00 0.00 H new ATOM 0 HA ALA A 704 12.430 7.268 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 704 12.544 7.624 5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 704 14.107 7.094 5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 704 13.074 5.939 4.802 1.00 0.00 H new ATOM 732 N GLU A 705 10.662 4.806 6.210 1.00 0.00 N ATOM 733 CA GLU A 705 9.303 4.342 5.935 1.00 0.00 C ATOM 734 C GLU A 705 8.657 3.731 7.175 1.00 0.00 C ATOM 735 O GLU A 705 9.341 3.192 8.046 1.00 0.00 O ATOM 736 CB GLU A 705 9.327 3.313 4.804 1.00 0.00 C ATOM 737 CG GLU A 705 9.787 3.887 3.471 1.00 0.00 C ATOM 738 CD GLU A 705 11.131 3.339 3.028 1.00 0.00 C ATOM 739 OE1 GLU A 705 11.194 2.151 2.648 1.00 0.00 O ATOM 740 OE2 GLU A 705 12.120 4.100 3.057 1.00 0.00 O ATOM 0 H GLU A 705 11.375 4.080 6.137 1.00 0.00 H new ATOM 0 HA GLU A 705 8.707 5.205 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 705 9.987 2.492 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 705 8.328 2.893 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 705 9.040 3.666 2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 705 9.850 4.972 3.550 1.00 0.00 H new ATOM 747 N ARG A 706 7.329 3.816 7.242 1.00 0.00 N ATOM 748 CA ARG A 706 6.577 3.266 8.370 1.00 0.00 C ATOM 749 C ARG A 706 5.607 2.171 7.908 1.00 0.00 C ATOM 750 O ARG A 706 5.352 1.213 8.640 1.00 0.00 O ATOM 751 CB ARG A 706 5.809 4.375 9.097 1.00 0.00 C ATOM 752 CG ARG A 706 6.618 5.074 10.182 1.00 0.00 C ATOM 753 CD ARG A 706 5.773 6.090 10.940 1.00 0.00 C ATOM 754 NE ARG A 706 6.162 6.193 12.348 1.00 0.00 N ATOM 755 CZ ARG A 706 5.895 5.263 13.267 1.00 0.00 C ATOM 756 NH1 ARG A 706 5.253 4.147 12.929 1.00 0.00 N ATOM 757 NH2 ARG A 706 6.272 5.446 14.527 1.00 0.00 N ATOM 0 H ARG A 706 6.751 4.260 6.529 1.00 0.00 H new ATOM 0 HA ARG A 706 7.293 2.820 9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 706 5.481 5.115 8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 706 4.911 3.949 9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 706 7.011 4.333 10.879 1.00 0.00 H new ATOM 0 HG3 ARG A 706 7.475 5.575 9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 706 5.870 7.067 10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 706 4.722 5.807 10.875 1.00 0.00 H new ATOM 0 HE ARG A 706 6.668 7.027 12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 706 4.962 3.999 11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 706 5.052 3.440 13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 706 6.766 6.298 14.793 1.00 0.00 H new ATOM 0 HH22 ARG A 706 6.068 4.735 15.229 1.00 0.00 H new ATOM 771 N PHE A 707 5.065 2.319 6.691 1.00 0.00 N ATOM 772 CA PHE A 707 4.124 1.337 6.141 1.00 0.00 C ATOM 773 C PHE A 707 4.589 0.831 4.775 1.00 0.00 C ATOM 774 O PHE A 707 5.510 1.391 4.177 1.00 0.00 O ATOM 775 CB PHE A 707 2.725 1.951 6.018 1.00 0.00 C ATOM 776 CG PHE A 707 1.849 1.703 7.215 1.00 0.00 C ATOM 777 CD1 PHE A 707 1.334 0.440 7.466 1.00 0.00 C ATOM 778 CD2 PHE A 707 1.537 2.734 8.089 1.00 0.00 C ATOM 779 CE1 PHE A 707 0.527 0.210 8.565 1.00 0.00 C ATOM 780 CE2 PHE A 707 0.730 2.511 9.188 1.00 0.00 C ATOM 781 CZ PHE A 707 0.225 1.247 9.425 1.00 0.00 C ATOM 0 H PHE A 707 5.262 3.106 6.072 1.00 0.00 H new ATOM 0 HA PHE A 707 4.086 0.491 6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 707 2.822 3.026 5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 707 2.237 1.546 5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 707 1.566 -0.374 6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 707 1.930 3.724 7.908 1.00 0.00 H new ATOM 0 HE1 PHE A 707 0.134 -0.779 8.750 1.00 0.00 H new ATOM 0 HE2 PHE A 707 0.494 3.323 9.860 1.00 0.00 H new ATOM 0 HZ PHE A 707 -0.406 1.070 10.283 1.00 0.00 H new ATOM 791 N ALA A 708 3.946 -0.235 4.285 1.00 0.00 N ATOM 792 CA ALA A 708 4.295 -0.820 2.990 1.00 0.00 C ATOM 793 C ALA A 708 3.063 -1.373 2.269 1.00 0.00 C ATOM 794 O ALA A 708 2.194 -1.988 2.888 1.00 0.00 O ATOM 795 CB ALA A 708 5.339 -1.910 3.171 1.00 0.00 C ATOM 0 H ALA A 708 3.182 -0.708 4.767 1.00 0.00 H new ATOM 0 HA ALA A 708 4.711 -0.028 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 708 5.591 -2.338 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 708 6.235 -1.484 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 708 4.941 -2.691 3.819 1.00 0.00 H new ATOM 801 N ILE A 709 2.996 -1.144 0.957 1.00 0.00 N ATOM 802 CA ILE A 709 1.873 -1.611 0.141 1.00 0.00 C ATOM 803 C ILE A 709 2.324 -2.645 -0.890 1.00 0.00 C ATOM 804 O ILE A 709 3.420 -2.542 -1.442 1.00 0.00 O ATOM 805 CB ILE A 709 1.190 -0.434 -0.595 1.00 0.00 C ATOM 806 CG1 ILE A 709 0.868 0.703 0.380 1.00 0.00 C ATOM 807 CG2 ILE A 709 -0.073 -0.905 -1.304 1.00 0.00 C ATOM 808 CD1 ILE A 709 1.152 2.078 -0.184 1.00 0.00 C ATOM 0 H ILE A 709 3.709 -0.636 0.434 1.00 0.00 H new ATOM 0 HA ILE A 709 1.160 -2.074 0.823 1.00 0.00 H new ATOM 0 HB ILE A 709 1.884 -0.054 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 709 -0.184 0.644 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 709 1.449 0.565 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 709 -0.539 -0.063 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 709 0.184 -1.675 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 709 -0.769 -1.315 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 709 0.901 2.835 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 709 2.209 2.156 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 709 0.551 2.235 -1.079 1.00 0.00 H new ATOM 820 N SER A 710 1.474 -3.640 -1.149 1.00 0.00 N ATOM 821 CA SER A 710 1.787 -4.691 -2.120 1.00 0.00 C ATOM 822 C SER A 710 0.564 -5.032 -2.973 1.00 0.00 C ATOM 823 O SER A 710 -0.526 -5.264 -2.443 1.00 0.00 O ATOM 824 CB SER A 710 2.286 -5.949 -1.404 1.00 0.00 C ATOM 825 OG SER A 710 3.170 -5.622 -0.345 1.00 0.00 O ATOM 0 H SER A 710 0.564 -3.741 -0.700 1.00 0.00 H new ATOM 0 HA SER A 710 2.573 -4.317 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 710 1.436 -6.508 -1.012 1.00 0.00 H new ATOM 0 HB3 SER A 710 2.794 -6.599 -2.117 1.00 0.00 H new ATOM 0 HG SER A 710 4.088 -5.581 -0.686 1.00 0.00 H new ATOM 831 N ILE A 711 0.750 -5.065 -4.294 1.00 0.00 N ATOM 832 CA ILE A 711 -0.339 -5.378 -5.221 1.00 0.00 C ATOM 833 C ILE A 711 0.149 -6.242 -6.391 1.00 0.00 C ATOM 834 O ILE A 711 1.300 -6.135 -6.818 1.00 0.00 O ATOM 835 CB ILE A 711 -0.995 -4.088 -5.768 1.00 0.00 C ATOM 836 CG1 ILE A 711 -2.209 -4.429 -6.639 1.00 0.00 C ATOM 837 CG2 ILE A 711 0.017 -3.259 -6.550 1.00 0.00 C ATOM 838 CD1 ILE A 711 -3.182 -3.280 -6.802 1.00 0.00 C ATOM 0 H ILE A 711 1.645 -4.879 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 711 -1.082 -5.942 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 711 -1.339 -3.493 -4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 711 -1.862 -4.743 -7.624 1.00 0.00 H new ATOM 0 HG13 ILE A 711 -2.733 -5.278 -6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 711 -0.465 -2.356 -6.926 1.00 0.00 H new ATOM 0 HG22 ILE A 711 0.844 -2.983 -5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 711 0.396 -3.844 -7.388 1.00 0.00 H new ATOM 0 HD11 ILE A 711 -4.015 -3.595 -7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 711 -3.558 -2.980 -5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 711 -2.674 -2.436 -7.269 1.00 0.00 H new ATOM 850 N LYS A 712 -0.742 -7.099 -6.901 1.00 0.00 N ATOM 851 CA LYS A 712 -0.414 -7.984 -8.020 1.00 0.00 C ATOM 852 C LYS A 712 -0.840 -7.369 -9.353 1.00 0.00 C ATOM 853 O LYS A 712 -1.997 -6.986 -9.529 1.00 0.00 O ATOM 854 CB LYS A 712 -1.093 -9.347 -7.835 1.00 0.00 C ATOM 855 CG LYS A 712 -0.740 -10.360 -8.915 1.00 0.00 C ATOM 856 CD LYS A 712 0.631 -10.974 -8.681 1.00 0.00 C ATOM 857 CE LYS A 712 0.622 -12.474 -8.933 1.00 0.00 C ATOM 858 NZ LYS A 712 1.830 -13.139 -8.373 1.00 0.00 N ATOM 0 H LYS A 712 -1.696 -7.197 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 712 0.667 -8.119 -8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -0.813 -9.753 -6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -2.174 -9.205 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -1.493 -11.148 -8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -0.760 -9.874 -9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 712 1.360 -10.498 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 712 0.948 -10.778 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 712 -0.272 -12.911 -8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 712 0.569 -12.661 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 1.793 -14.157 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 2.683 -12.728 -8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 1.859 -12.997 -7.343 1.00 0.00 H new ATOM 872 N PHE A 713 0.105 -7.284 -10.290 1.00 0.00 N ATOM 873 CA PHE A 713 -0.165 -6.720 -11.610 1.00 0.00 C ATOM 874 C PHE A 713 0.637 -7.453 -12.683 1.00 0.00 C ATOM 875 O PHE A 713 1.866 -7.518 -12.609 1.00 0.00 O ATOM 876 CB PHE A 713 0.173 -5.228 -11.631 1.00 0.00 C ATOM 877 CG PHE A 713 -0.180 -4.542 -12.922 1.00 0.00 C ATOM 878 CD1 PHE A 713 -1.454 -4.651 -13.458 1.00 0.00 C ATOM 879 CD2 PHE A 713 0.764 -3.785 -13.598 1.00 0.00 C ATOM 880 CE1 PHE A 713 -1.779 -4.020 -14.643 1.00 0.00 C ATOM 881 CE2 PHE A 713 0.444 -3.151 -14.783 1.00 0.00 C ATOM 882 CZ PHE A 713 -0.830 -3.268 -15.305 1.00 0.00 C ATOM 0 H PHE A 713 1.066 -7.600 -10.157 1.00 0.00 H new ATOM 0 HA PHE A 713 -1.227 -6.844 -11.824 1.00 0.00 H new ATOM 0 HB2 PHE A 713 -0.352 -4.735 -10.813 1.00 0.00 H new ATOM 0 HB3 PHE A 713 1.240 -5.104 -11.445 1.00 0.00 H new ATOM 0 HD1 PHE A 713 -2.201 -5.236 -12.943 1.00 0.00 H new ATOM 0 HD2 PHE A 713 1.761 -3.690 -13.194 1.00 0.00 H new ATOM 0 HE1 PHE A 713 -2.774 -4.115 -15.051 1.00 0.00 H new ATOM 0 HE2 PHE A 713 1.189 -2.565 -15.301 1.00 0.00 H new ATOM 0 HZ PHE A 713 -1.083 -2.771 -16.230 1.00 0.00 H new ATOM 892 N ASN A 714 -0.066 -8.004 -13.674 1.00 0.00 N ATOM 893 CA ASN A 714 0.572 -8.738 -14.766 1.00 0.00 C ATOM 894 C ASN A 714 1.428 -9.886 -14.225 1.00 0.00 C ATOM 895 O ASN A 714 2.568 -10.084 -14.650 1.00 0.00 O ATOM 896 CB ASN A 714 1.423 -7.792 -15.623 1.00 0.00 C ATOM 897 CG ASN A 714 1.335 -8.118 -17.102 1.00 0.00 C ATOM 898 OD1 ASN A 714 0.803 -7.336 -17.889 1.00 0.00 O ATOM 899 ND2 ASN A 714 1.853 -9.278 -17.490 1.00 0.00 N ATOM 0 H ASN A 714 -1.083 -7.955 -13.742 1.00 0.00 H new ATOM 0 HA ASN A 714 -0.212 -9.164 -15.392 1.00 0.00 H new ATOM 0 HB2 ASN A 714 1.097 -6.765 -15.460 1.00 0.00 H new ATOM 0 HB3 ASN A 714 2.463 -7.851 -15.302 1.00 0.00 H new ATOM 0 HD21 ASN A 714 1.818 -9.549 -18.473 1.00 0.00 H new ATOM 0 HD22 ASN A 714 2.285 -9.898 -16.805 1.00 0.00 H new ATOM 906 N ASP A 715 0.861 -10.640 -13.279 1.00 0.00 N ATOM 907 CA ASP A 715 1.549 -11.773 -12.661 1.00 0.00 C ATOM 908 C ASP A 715 2.847 -11.338 -11.972 1.00 0.00 C ATOM 909 O ASP A 715 3.840 -12.066 -11.977 1.00 0.00 O ATOM 910 CB ASP A 715 1.842 -12.857 -13.701 1.00 0.00 C ATOM 911 CG ASP A 715 1.804 -14.251 -13.103 1.00 0.00 C ATOM 912 OD1 ASP A 715 0.803 -14.584 -12.433 1.00 0.00 O ATOM 913 OD2 ASP A 715 2.777 -15.008 -13.299 1.00 0.00 O ATOM 0 H ASP A 715 -0.082 -10.482 -12.923 1.00 0.00 H new ATOM 0 HA ASP A 715 0.886 -12.182 -11.899 1.00 0.00 H new ATOM 0 HB2 ASP A 715 1.113 -12.790 -14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 715 2.823 -12.679 -14.142 1.00 0.00 H new ATOM 918 N GLU A 716 2.829 -10.148 -11.372 1.00 0.00 N ATOM 919 CA GLU A 716 3.998 -9.620 -10.673 1.00 0.00 C ATOM 920 C GLU A 716 3.580 -8.904 -9.390 1.00 0.00 C ATOM 921 O GLU A 716 2.732 -8.010 -9.419 1.00 0.00 O ATOM 922 CB GLU A 716 4.767 -8.650 -11.578 1.00 0.00 C ATOM 923 CG GLU A 716 5.990 -9.263 -12.247 1.00 0.00 C ATOM 924 CD GLU A 716 6.902 -8.220 -12.867 1.00 0.00 C ATOM 925 OE1 GLU A 716 7.108 -7.158 -12.241 1.00 0.00 O ATOM 926 OE2 GLU A 716 7.411 -8.462 -13.981 1.00 0.00 O ATOM 0 H GLU A 716 2.016 -9.532 -11.357 1.00 0.00 H new ATOM 0 HA GLU A 716 4.646 -10.457 -10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 716 4.093 -8.277 -12.349 1.00 0.00 H new ATOM 0 HB3 GLU A 716 5.082 -7.790 -10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 716 6.551 -9.839 -11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 716 5.666 -9.961 -13.019 1.00 0.00 H new ATOM 933 N VAL A 717 4.179 -9.297 -8.266 1.00 0.00 N ATOM 934 CA VAL A 717 3.866 -8.685 -6.975 1.00 0.00 C ATOM 935 C VAL A 717 4.803 -7.510 -6.691 1.00 0.00 C ATOM 936 O VAL A 717 5.946 -7.704 -6.275 1.00 0.00 O ATOM 937 CB VAL A 717 3.970 -9.704 -5.818 1.00 0.00 C ATOM 938 CG1 VAL A 717 3.481 -9.085 -4.517 1.00 0.00 C ATOM 939 CG2 VAL A 717 3.190 -10.972 -6.136 1.00 0.00 C ATOM 0 H VAL A 717 4.882 -10.035 -8.223 1.00 0.00 H new ATOM 0 HA VAL A 717 2.838 -8.329 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 717 5.019 -9.976 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 717 3.561 -9.817 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 717 4.090 -8.214 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 717 2.440 -8.780 -4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 717 3.280 -11.672 -5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 717 2.140 -10.724 -6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 717 3.591 -11.429 -7.041 1.00 0.00 H new ATOM 949 N LYS A 718 4.312 -6.293 -6.924 1.00 0.00 N ATOM 950 CA LYS A 718 5.108 -5.088 -6.697 1.00 0.00 C ATOM 951 C LYS A 718 4.886 -4.540 -5.287 1.00 0.00 C ATOM 952 O LYS A 718 3.807 -4.701 -4.711 1.00 0.00 O ATOM 953 CB LYS A 718 4.768 -4.019 -7.742 1.00 0.00 C ATOM 954 CG LYS A 718 5.147 -4.414 -9.163 1.00 0.00 C ATOM 955 CD LYS A 718 6.656 -4.401 -9.364 1.00 0.00 C ATOM 956 CE LYS A 718 7.260 -5.783 -9.163 1.00 0.00 C ATOM 957 NZ LYS A 718 8.413 -6.026 -10.076 1.00 0.00 N ATOM 0 H LYS A 718 3.369 -6.116 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 718 6.160 -5.355 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 718 3.698 -3.813 -7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 718 5.281 -3.093 -7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 718 4.759 -5.409 -9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 718 4.679 -3.728 -9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 718 6.887 -4.045 -10.368 1.00 0.00 H new ATOM 0 HD3 LYS A 718 7.111 -3.699 -8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 718 7.588 -5.889 -8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 718 6.496 -6.541 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 9.117 -6.621 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 8.080 -6.509 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 8.847 -5.118 -10.336 1.00 0.00 H new ATOM 971 N HIS A 719 5.918 -3.897 -4.735 1.00 0.00 N ATOM 972 CA HIS A 719 5.843 -3.329 -3.389 1.00 0.00 C ATOM 973 C HIS A 719 6.072 -1.820 -3.407 1.00 0.00 C ATOM 974 O HIS A 719 6.969 -1.332 -4.094 1.00 0.00 O ATOM 975 CB HIS A 719 6.874 -3.995 -2.474 1.00 0.00 C ATOM 976 CG HIS A 719 6.607 -5.446 -2.243 1.00 0.00 C ATOM 977 ND1 HIS A 719 5.960 -5.925 -1.127 1.00 0.00 N ATOM 978 CD2 HIS A 719 6.895 -6.528 -3.001 1.00 0.00 C ATOM 979 CE1 HIS A 719 5.862 -7.239 -1.206 1.00 0.00 C ATOM 980 NE2 HIS A 719 6.421 -7.633 -2.336 1.00 0.00 N ATOM 0 H HIS A 719 6.815 -3.757 -5.200 1.00 0.00 H new ATOM 0 HA HIS A 719 4.840 -3.518 -3.006 1.00 0.00 H new ATOM 0 HB2 HIS A 719 7.866 -3.880 -2.911 1.00 0.00 H new ATOM 0 HB3 HIS A 719 6.887 -3.478 -1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 719 7.404 -6.524 -3.954 1.00 0.00 H new ATOM 0 HE1 HIS A 719 5.402 -7.883 -0.471 1.00 0.00 H new ATOM 0 HE2 HIS A 719 6.489 -8.597 -2.661 1.00 0.00 H new ATOM 989 N ILE A 720 5.260 -1.086 -2.646 1.00 0.00 N ATOM 990 CA ILE A 720 5.377 0.371 -2.572 1.00 0.00 C ATOM 991 C ILE A 720 5.559 0.833 -1.124 1.00 0.00 C ATOM 992 O ILE A 720 4.627 0.762 -0.321 1.00 0.00 O ATOM 993 CB ILE A 720 4.135 1.070 -3.176 1.00 0.00 C ATOM 994 CG1 ILE A 720 3.831 0.523 -4.577 1.00 0.00 C ATOM 995 CG2 ILE A 720 4.343 2.579 -3.229 1.00 0.00 C ATOM 996 CD1 ILE A 720 2.351 0.375 -4.863 1.00 0.00 C ATOM 0 H ILE A 720 4.513 -1.477 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 720 6.256 0.650 -3.153 1.00 0.00 H new ATOM 0 HB ILE A 720 3.280 0.860 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 720 4.271 1.187 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 720 4.313 -0.448 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 720 3.460 3.053 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 720 4.507 2.959 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 720 5.211 2.805 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 720 2.213 -0.016 -5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 720 1.908 -0.313 -4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 720 1.866 1.348 -4.782 1.00 0.00 H new ATOM 1008 N LYS A 721 6.766 1.300 -0.796 1.00 0.00 N ATOM 1009 CA LYS A 721 7.070 1.769 0.560 1.00 0.00 C ATOM 1010 C LYS A 721 6.356 3.093 0.866 1.00 0.00 C ATOM 1011 O LYS A 721 6.160 3.921 -0.025 1.00 0.00 O ATOM 1012 CB LYS A 721 8.587 1.920 0.746 1.00 0.00 C ATOM 1013 CG LYS A 721 9.222 3.003 -0.119 1.00 0.00 C ATOM 1014 CD LYS A 721 10.004 2.410 -1.282 1.00 0.00 C ATOM 1015 CE LYS A 721 11.480 2.248 -0.943 1.00 0.00 C ATOM 1016 NZ LYS A 721 12.325 2.121 -2.166 1.00 0.00 N ATOM 0 H LYS A 721 7.548 1.364 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 721 6.703 1.022 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 721 8.792 2.142 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 721 9.065 0.966 0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 721 8.445 3.664 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 721 9.887 3.614 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 721 9.583 1.440 -1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 721 9.900 3.053 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 721 11.814 3.106 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 721 11.613 1.365 -0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 13.322 2.013 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 12.024 1.288 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 12.219 2.974 -2.751 1.00 0.00 H new ATOM 1030 N VAL A 722 5.963 3.277 2.132 1.00 0.00 N ATOM 1031 CA VAL A 722 5.263 4.494 2.556 1.00 0.00 C ATOM 1032 C VAL A 722 6.143 5.360 3.459 1.00 0.00 C ATOM 1033 O VAL A 722 6.788 4.858 4.382 1.00 0.00 O ATOM 1034 CB VAL A 722 3.952 4.167 3.304 1.00 0.00 C ATOM 1035 CG1 VAL A 722 3.138 5.432 3.538 1.00 0.00 C ATOM 1036 CG2 VAL A 722 3.136 3.135 2.538 1.00 0.00 C ATOM 0 H VAL A 722 6.118 2.600 2.879 1.00 0.00 H new ATOM 0 HA VAL A 722 5.027 5.045 1.646 1.00 0.00 H new ATOM 0 HB VAL A 722 4.210 3.743 4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 722 2.218 5.180 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 722 3.720 6.134 4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 722 2.892 5.889 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 722 2.217 2.920 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 722 2.889 3.526 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 722 3.717 2.219 2.430 1.00 0.00 H new ATOM 1046 N VAL A 723 6.158 6.666 3.181 1.00 0.00 N ATOM 1047 CA VAL A 723 6.952 7.619 3.957 1.00 0.00 C ATOM 1048 C VAL A 723 6.063 8.670 4.625 1.00 0.00 C ATOM 1049 O VAL A 723 5.321 9.385 3.949 1.00 0.00 O ATOM 1050 CB VAL A 723 7.989 8.338 3.065 1.00 0.00 C ATOM 1051 CG1 VAL A 723 8.950 9.166 3.908 1.00 0.00 C ATOM 1052 CG2 VAL A 723 8.752 7.337 2.207 1.00 0.00 C ATOM 0 H VAL A 723 5.626 7.088 2.420 1.00 0.00 H new ATOM 0 HA VAL A 723 7.470 7.045 4.725 1.00 0.00 H new ATOM 0 HB VAL A 723 7.450 9.015 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 723 9.670 9.662 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 723 8.390 9.915 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 723 9.479 8.514 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 723 9.476 7.866 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 723 9.274 6.629 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 723 8.053 6.798 1.568 1.00 0.00 H new ATOM 1062 N GLU A 724 6.148 8.763 5.953 1.00 0.00 N ATOM 1063 CA GLU A 724 5.361 9.735 6.713 1.00 0.00 C ATOM 1064 C GLU A 724 6.265 10.582 7.612 1.00 0.00 C ATOM 1065 O GLU A 724 6.783 10.097 8.622 1.00 0.00 O ATOM 1066 CB GLU A 724 4.302 9.019 7.556 1.00 0.00 C ATOM 1067 CG GLU A 724 3.321 9.963 8.231 1.00 0.00 C ATOM 1068 CD GLU A 724 2.589 9.312 9.386 1.00 0.00 C ATOM 1069 OE1 GLU A 724 3.232 9.052 10.425 1.00 0.00 O ATOM 1070 OE2 GLU A 724 1.374 9.057 9.249 1.00 0.00 O ATOM 0 H GLU A 724 6.755 8.176 6.525 1.00 0.00 H new ATOM 0 HA GLU A 724 4.861 10.397 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 724 3.749 8.328 6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 724 4.800 8.420 8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 724 3.857 10.840 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 724 2.596 10.313 7.497 1.00 0.00 H new ATOM 1077 N LYS A 725 6.459 11.846 7.232 1.00 0.00 N ATOM 1078 CA LYS A 725 7.306 12.761 7.996 1.00 0.00 C ATOM 1079 C LYS A 725 6.515 13.978 8.477 1.00 0.00 C ATOM 1080 O LYS A 725 5.581 14.419 7.807 1.00 0.00 O ATOM 1081 CB LYS A 725 8.493 13.209 7.140 1.00 0.00 C ATOM 1082 CG LYS A 725 9.797 12.505 7.484 1.00 0.00 C ATOM 1083 CD LYS A 725 9.674 10.992 7.357 1.00 0.00 C ATOM 1084 CE LYS A 725 10.981 10.292 7.702 1.00 0.00 C ATOM 1085 NZ LYS A 725 10.759 9.044 8.488 1.00 0.00 N ATOM 0 H LYS A 725 6.040 12.259 6.399 1.00 0.00 H new ATOM 0 HA LYS A 725 7.674 12.231 8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 725 8.260 13.030 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 725 8.629 14.284 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 725 10.588 12.862 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 725 10.091 12.762 8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 725 8.884 10.634 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 725 9.380 10.734 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 725 11.516 10.051 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 725 11.616 10.971 8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 11.631 8.795 8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 9.990 9.196 9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 10.501 8.269 7.844 1.00 0.00 H new ATOM 1099 N ASP A 726 6.901 14.507 9.644 1.00 0.00 N ATOM 1100 CA ASP A 726 6.242 15.673 10.244 1.00 0.00 C ATOM 1101 C ASP A 726 4.777 15.377 10.553 1.00 0.00 C ATOM 1102 O ASP A 726 4.423 15.077 11.694 1.00 0.00 O ATOM 1103 CB ASP A 726 6.349 16.898 9.326 1.00 0.00 C ATOM 1104 CG ASP A 726 7.785 17.275 9.019 1.00 0.00 C ATOM 1105 OD1 ASP A 726 8.423 17.935 9.867 1.00 0.00 O ATOM 1106 OD2 ASP A 726 8.271 16.911 7.927 1.00 0.00 O ATOM 0 H ASP A 726 7.676 14.141 10.197 1.00 0.00 H new ATOM 0 HA ASP A 726 6.755 15.894 11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 726 5.824 16.695 8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 726 5.848 17.744 9.796 1.00 0.00 H new ATOM 1111 N ASN A 727 3.936 15.459 9.527 1.00 0.00 N ATOM 1112 CA ASN A 727 2.508 15.197 9.668 1.00 0.00 C ATOM 1113 C ASN A 727 1.857 14.967 8.301 1.00 0.00 C ATOM 1114 O ASN A 727 0.678 15.273 8.108 1.00 0.00 O ATOM 1115 CB ASN A 727 1.826 16.360 10.395 1.00 0.00 C ATOM 1116 CG ASN A 727 0.826 15.885 11.431 1.00 0.00 C ATOM 1117 OD1 ASN A 727 -0.077 15.106 11.128 1.00 0.00 O ATOM 1118 ND2 ASN A 727 0.981 16.351 12.667 1.00 0.00 N ATOM 0 H ASN A 727 4.223 15.707 8.580 1.00 0.00 H new ATOM 0 HA ASN A 727 2.383 14.290 10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 727 2.583 16.976 10.880 1.00 0.00 H new ATOM 0 HB3 ASN A 727 1.318 16.993 9.667 1.00 0.00 H new ATOM 0 HD21 ASN A 727 0.338 16.064 13.405 1.00 0.00 H new ATOM 0 HD22 ASN A 727 1.743 16.996 12.877 1.00 0.00 H new ATOM 1125 N TRP A 728 2.631 14.425 7.354 1.00 0.00 N ATOM 1126 CA TRP A 728 2.122 14.157 6.016 1.00 0.00 C ATOM 1127 C TRP A 728 2.611 12.807 5.503 1.00 0.00 C ATOM 1128 O TRP A 728 3.815 12.547 5.447 1.00 0.00 O ATOM 1129 CB TRP A 728 2.515 15.273 5.037 1.00 0.00 C ATOM 1130 CG TRP A 728 3.923 15.790 5.187 1.00 0.00 C ATOM 1131 CD1 TRP A 728 4.439 16.513 6.227 1.00 0.00 C ATOM 1132 CD2 TRP A 728 4.988 15.641 4.243 1.00 0.00 C ATOM 1133 NE1 TRP A 728 5.760 16.809 5.988 1.00 0.00 N ATOM 1134 CE2 TRP A 728 6.119 16.286 4.775 1.00 0.00 C ATOM 1135 CE3 TRP A 728 5.090 15.019 3.000 1.00 0.00 C ATOM 1136 CZ2 TRP A 728 7.339 16.324 4.102 1.00 0.00 C ATOM 1137 CZ3 TRP A 728 6.300 15.057 2.330 1.00 0.00 C ATOM 1138 CH2 TRP A 728 7.411 15.707 2.883 1.00 0.00 C ATOM 0 H TRP A 728 3.608 14.166 7.494 1.00 0.00 H new ATOM 0 HA TRP A 728 1.034 14.127 6.081 1.00 0.00 H new ATOM 0 HB2 TRP A 728 2.387 14.904 4.019 1.00 0.00 H new ATOM 0 HB3 TRP A 728 1.823 16.106 5.164 1.00 0.00 H new ATOM 0 HD1 TRP A 728 3.889 16.808 7.108 1.00 0.00 H new ATOM 0 HE1 TRP A 728 6.373 17.333 6.613 1.00 0.00 H new ATOM 0 HE3 TRP A 728 4.238 14.516 2.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 728 8.197 16.823 4.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 728 6.389 14.578 1.366 1.00 0.00 H new ATOM 0 HH2 TRP A 728 8.342 15.721 2.336 1.00 0.00 H new ATOM 1149 N ILE A 729 1.658 11.951 5.128 1.00 0.00 N ATOM 1150 CA ILE A 729 1.968 10.619 4.613 1.00 0.00 C ATOM 1151 C ILE A 729 2.032 10.622 3.085 1.00 0.00 C ATOM 1152 O ILE A 729 1.265 11.324 2.425 1.00 0.00 O ATOM 1153 CB ILE A 729 0.931 9.572 5.088 1.00 0.00 C ATOM 1154 CG1 ILE A 729 1.362 8.165 4.659 1.00 0.00 C ATOM 1155 CG2 ILE A 729 -0.459 9.898 4.555 1.00 0.00 C ATOM 1156 CD1 ILE A 729 0.449 7.069 5.162 1.00 0.00 C ATOM 0 H ILE A 729 0.661 12.160 5.172 1.00 0.00 H new ATOM 0 HA ILE A 729 2.945 10.343 5.009 1.00 0.00 H new ATOM 0 HB ILE A 729 0.886 9.604 6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 729 1.400 8.123 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 729 2.373 7.978 5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 729 -1.168 9.147 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 729 -0.765 10.880 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 729 -0.439 9.900 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 729 0.818 6.102 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 729 0.429 7.084 6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 729 -0.559 7.230 4.779 1.00 0.00 H new ATOM 1168 N HIS A 730 2.962 9.846 2.529 1.00 0.00 N ATOM 1169 CA HIS A 730 3.135 9.775 1.076 1.00 0.00 C ATOM 1170 C HIS A 730 4.040 8.610 0.674 1.00 0.00 C ATOM 1171 O HIS A 730 4.974 8.261 1.395 1.00 0.00 O ATOM 1172 CB HIS A 730 3.733 11.087 0.563 1.00 0.00 C ATOM 1173 CG HIS A 730 5.015 11.452 1.246 1.00 0.00 C ATOM 1174 ND1 HIS A 730 6.257 11.204 0.701 1.00 0.00 N ATOM 1175 CD2 HIS A 730 5.243 12.032 2.447 1.00 0.00 C ATOM 1176 CE1 HIS A 730 7.193 11.613 1.538 1.00 0.00 C ATOM 1177 NE2 HIS A 730 6.604 12.120 2.603 1.00 0.00 N ATOM 0 H HIS A 730 3.606 9.259 3.059 1.00 0.00 H new ATOM 0 HA HIS A 730 2.154 9.612 0.629 1.00 0.00 H new ATOM 0 HB2 HIS A 730 3.910 11.005 -0.509 1.00 0.00 H new ATOM 0 HB3 HIS A 730 3.010 11.890 0.706 1.00 0.00 H new ATOM 0 HD1 HIS A 730 6.426 10.772 -0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 730 4.494 12.364 3.151 1.00 0.00 H new ATOM 0 HE1 HIS A 730 8.259 11.544 1.378 1.00 0.00 H new ATOM 1186 N ILE A 731 3.765 8.025 -0.491 1.00 0.00 N ATOM 1187 CA ILE A 731 4.566 6.911 -1.001 1.00 0.00 C ATOM 1188 C ILE A 731 5.689 7.406 -1.917 1.00 0.00 C ATOM 1189 O ILE A 731 6.734 6.761 -2.035 1.00 0.00 O ATOM 1190 CB ILE A 731 3.707 5.880 -1.768 1.00 0.00 C ATOM 1191 CG1 ILE A 731 2.830 6.567 -2.822 1.00 0.00 C ATOM 1192 CG2 ILE A 731 2.851 5.078 -0.796 1.00 0.00 C ATOM 1193 CD1 ILE A 731 2.824 5.857 -4.158 1.00 0.00 C ATOM 0 H ILE A 731 2.995 8.303 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 731 4.999 6.423 -0.128 1.00 0.00 H new ATOM 0 HB ILE A 731 4.379 5.196 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 731 1.808 6.629 -2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 731 3.180 7.589 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 731 2.251 4.356 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 731 3.496 4.551 -0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 731 2.193 5.753 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 731 2.184 6.398 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 731 3.839 5.818 -4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 731 2.445 4.843 -4.029 1.00 0.00 H new ATOM 1205 N THR A 732 5.467 8.553 -2.561 1.00 0.00 N ATOM 1206 CA THR A 732 6.453 9.144 -3.462 1.00 0.00 C ATOM 1207 C THR A 732 7.287 10.195 -2.721 1.00 0.00 C ATOM 1208 O THR A 732 7.286 10.237 -1.491 1.00 0.00 O ATOM 1209 CB THR A 732 5.749 9.778 -4.670 1.00 0.00 C ATOM 1210 OG1 THR A 732 5.042 10.945 -4.286 1.00 0.00 O ATOM 1211 CG2 THR A 732 4.764 8.848 -5.352 1.00 0.00 C ATOM 0 H THR A 732 4.606 9.093 -2.473 1.00 0.00 H new ATOM 0 HA THR A 732 7.120 8.358 -3.817 1.00 0.00 H new ATOM 0 HB THR A 732 6.547 10.013 -5.374 1.00 0.00 H new ATOM 0 HG1 THR A 732 4.602 11.334 -5.071 1.00 0.00 H new ATOM 0 HG21 THR A 732 4.304 9.361 -6.196 1.00 0.00 H new ATOM 0 HG22 THR A 732 5.288 7.961 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 732 3.991 8.552 -4.642 1.00 0.00 H new ATOM 1219 N GLU A 733 7.988 11.046 -3.472 1.00 0.00 N ATOM 1220 CA GLU A 733 8.810 12.094 -2.874 1.00 0.00 C ATOM 1221 C GLU A 733 8.489 13.455 -3.498 1.00 0.00 C ATOM 1222 O GLU A 733 9.377 14.143 -4.007 1.00 0.00 O ATOM 1223 CB GLU A 733 10.297 11.773 -3.041 1.00 0.00 C ATOM 1224 CG GLU A 733 10.714 10.443 -2.427 1.00 0.00 C ATOM 1225 CD GLU A 733 10.728 9.311 -3.439 1.00 0.00 C ATOM 1226 OE1 GLU A 733 11.448 9.431 -4.454 1.00 0.00 O ATOM 1227 OE2 GLU A 733 10.021 8.306 -3.216 1.00 0.00 O ATOM 0 H GLU A 733 8.002 11.029 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 733 8.581 12.139 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 733 10.539 11.763 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 733 10.884 12.571 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 733 11.706 10.545 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 733 10.031 10.192 -1.616 1.00 0.00 H new ATOM 1234 N ALA A 734 7.214 13.836 -3.454 1.00 0.00 N ATOM 1235 CA ALA A 734 6.779 15.114 -4.013 1.00 0.00 C ATOM 1236 C ALA A 734 5.477 15.598 -3.368 1.00 0.00 C ATOM 1237 O ALA A 734 5.445 16.659 -2.745 1.00 0.00 O ATOM 1238 CB ALA A 734 6.621 15.006 -5.525 1.00 0.00 C ATOM 0 H ALA A 734 6.466 13.280 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 734 7.549 15.853 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 734 6.297 15.966 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 734 7.576 14.730 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 734 5.877 14.245 -5.760 1.00 0.00 H new ATOM 1244 N LYS A 735 4.405 14.817 -3.526 1.00 0.00 N ATOM 1245 CA LYS A 735 3.101 15.172 -2.962 1.00 0.00 C ATOM 1246 C LYS A 735 2.993 14.756 -1.491 1.00 0.00 C ATOM 1247 O LYS A 735 3.777 13.939 -1.006 1.00 0.00 O ATOM 1248 CB LYS A 735 1.979 14.516 -3.775 1.00 0.00 C ATOM 1249 CG LYS A 735 1.539 15.332 -4.982 1.00 0.00 C ATOM 1250 CD LYS A 735 0.338 16.211 -4.658 1.00 0.00 C ATOM 1251 CE LYS A 735 -0.862 15.868 -5.530 1.00 0.00 C ATOM 1252 NZ LYS A 735 -2.143 15.940 -4.772 1.00 0.00 N ATOM 0 H LYS A 735 4.415 13.936 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 735 3.000 16.256 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.313 13.535 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 735 1.119 14.353 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 735 2.366 15.956 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 735 1.288 14.661 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 735 0.071 16.090 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 735 0.604 17.258 -4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -0.903 16.554 -6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -0.738 14.865 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -2.934 15.699 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -2.116 15.267 -3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -2.275 16.904 -4.404 1.00 0.00 H new ATOM 1266 N LYS A 736 2.009 15.324 -0.788 1.00 0.00 N ATOM 1267 CA LYS A 736 1.789 15.014 0.625 1.00 0.00 C ATOM 1268 C LYS A 736 0.307 14.781 0.915 1.00 0.00 C ATOM 1269 O LYS A 736 -0.551 15.519 0.427 1.00 0.00 O ATOM 1270 CB LYS A 736 2.317 16.148 1.516 1.00 0.00 C ATOM 1271 CG LYS A 736 2.111 17.543 0.936 1.00 0.00 C ATOM 1272 CD LYS A 736 2.545 18.626 1.914 1.00 0.00 C ATOM 1273 CE LYS A 736 4.014 18.488 2.286 1.00 0.00 C ATOM 1274 NZ LYS A 736 4.487 19.623 3.129 1.00 0.00 N ATOM 0 H LYS A 736 1.352 16.001 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 736 2.335 14.098 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 736 1.823 16.093 2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 736 3.382 15.992 1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 736 2.678 17.640 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 736 1.060 17.681 0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 736 2.372 19.607 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 736 1.934 18.570 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 736 4.166 17.551 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 736 4.614 18.436 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 5.492 19.489 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 4.367 20.515 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 3.932 19.657 4.008 1.00 0.00 H new ATOM 1288 N PHE A 737 0.015 13.754 1.715 1.00 0.00 N ATOM 1289 CA PHE A 737 -1.365 13.427 2.078 1.00 0.00 C ATOM 1290 C PHE A 737 -1.592 13.607 3.578 1.00 0.00 C ATOM 1291 O PHE A 737 -0.654 13.527 4.372 1.00 0.00 O ATOM 1292 CB PHE A 737 -1.703 11.991 1.672 1.00 0.00 C ATOM 1293 CG PHE A 737 -1.686 11.758 0.187 1.00 0.00 C ATOM 1294 CD1 PHE A 737 -2.823 11.976 -0.574 1.00 0.00 C ATOM 1295 CD2 PHE A 737 -0.534 11.319 -0.445 1.00 0.00 C ATOM 1296 CE1 PHE A 737 -2.811 11.758 -1.938 1.00 0.00 C ATOM 1297 CE2 PHE A 737 -0.516 11.100 -1.809 1.00 0.00 C ATOM 1298 CZ PHE A 737 -1.655 11.320 -2.557 1.00 0.00 C ATOM 0 H PHE A 737 0.715 13.135 2.124 1.00 0.00 H new ATOM 0 HA PHE A 737 -2.022 14.111 1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 737 -0.992 11.313 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 737 -2.690 11.737 2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 737 -3.728 12.320 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 737 0.360 11.146 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 737 -3.704 11.930 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 737 0.388 10.757 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 737 -1.643 11.150 -3.624 1.00 0.00 H new ATOM 1308 N ASP A 738 -2.848 13.850 3.953 1.00 0.00 N ATOM 1309 CA ASP A 738 -3.215 14.049 5.356 1.00 0.00 C ATOM 1310 C ASP A 738 -3.309 12.722 6.124 1.00 0.00 C ATOM 1311 O ASP A 738 -3.315 12.720 7.358 1.00 0.00 O ATOM 1312 CB ASP A 738 -4.550 14.795 5.446 1.00 0.00 C ATOM 1313 CG ASP A 738 -4.599 15.780 6.599 1.00 0.00 C ATOM 1314 OD1 ASP A 738 -3.562 16.418 6.887 1.00 0.00 O ATOM 1315 OD2 ASP A 738 -5.676 15.917 7.215 1.00 0.00 O ATOM 0 H ASP A 738 -3.631 13.914 3.303 1.00 0.00 H new ATOM 0 HA ASP A 738 -2.426 14.642 5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -4.726 15.328 4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -5.358 14.072 5.558 1.00 0.00 H new ATOM 1320 N SER A 739 -3.386 11.601 5.400 1.00 0.00 N ATOM 1321 CA SER A 739 -3.485 10.281 6.027 1.00 0.00 C ATOM 1322 C SER A 739 -3.509 9.173 4.973 1.00 0.00 C ATOM 1323 O SER A 739 -3.589 9.448 3.773 1.00 0.00 O ATOM 1324 CB SER A 739 -4.742 10.192 6.904 1.00 0.00 C ATOM 1325 OG SER A 739 -5.810 10.945 6.355 1.00 0.00 O ATOM 0 H SER A 739 -3.382 11.582 4.380 1.00 0.00 H new ATOM 0 HA SER A 739 -2.604 10.145 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 739 -5.044 9.150 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 739 -4.515 10.557 7.906 1.00 0.00 H new ATOM 0 HG SER A 739 -6.597 10.868 6.934 1.00 0.00 H new ATOM 1331 N LEU A 740 -3.440 7.920 5.428 1.00 0.00 N ATOM 1332 CA LEU A 740 -3.453 6.772 4.519 1.00 0.00 C ATOM 1333 C LEU A 740 -4.723 6.760 3.667 1.00 0.00 C ATOM 1334 O LEU A 740 -4.675 6.436 2.481 1.00 0.00 O ATOM 1335 CB LEU A 740 -3.331 5.460 5.300 1.00 0.00 C ATOM 1336 CG LEU A 740 -2.734 4.287 4.513 1.00 0.00 C ATOM 1337 CD1 LEU A 740 -1.508 3.731 5.222 1.00 0.00 C ATOM 1338 CD2 LEU A 740 -3.775 3.194 4.312 1.00 0.00 C ATOM 0 H LEU A 740 -3.375 7.675 6.416 1.00 0.00 H new ATOM 0 HA LEU A 740 -2.594 6.865 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 740 -2.715 5.636 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 740 -4.321 5.173 5.655 1.00 0.00 H new ATOM 0 HG LEU A 740 -2.425 4.655 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 740 -1.101 2.900 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 740 -0.754 4.513 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 740 -1.790 3.381 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 740 -3.334 2.370 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 740 -4.115 2.832 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 740 -4.623 3.597 3.758 1.00 0.00 H new ATOM 1350 N LEU A 741 -5.856 7.122 4.277 1.00 0.00 N ATOM 1351 CA LEU A 741 -7.135 7.156 3.563 1.00 0.00 C ATOM 1352 C LEU A 741 -7.038 8.038 2.318 1.00 0.00 C ATOM 1353 O LEU A 741 -7.457 7.638 1.234 1.00 0.00 O ATOM 1354 CB LEU A 741 -8.254 7.664 4.480 1.00 0.00 C ATOM 1355 CG LEU A 741 -9.673 7.242 4.074 1.00 0.00 C ATOM 1356 CD1 LEU A 741 -10.066 5.943 4.761 1.00 0.00 C ATOM 1357 CD2 LEU A 741 -10.675 8.344 4.400 1.00 0.00 C ATOM 0 H LEU A 741 -5.913 7.394 5.258 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.372 6.139 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -8.062 7.308 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -8.211 8.753 4.511 1.00 0.00 H new ATOM 0 HG LEU A 741 -9.683 7.076 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -11.075 5.663 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -9.369 5.155 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -10.036 6.079 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -11.675 8.026 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -10.660 8.544 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -10.408 9.251 3.857 1.00 0.00 H new ATOM 1369 N GLU A 742 -6.472 9.236 2.483 1.00 0.00 N ATOM 1370 CA GLU A 742 -6.311 10.171 1.368 1.00 0.00 C ATOM 1371 C GLU A 742 -5.439 9.563 0.269 1.00 0.00 C ATOM 1372 O GLU A 742 -5.738 9.700 -0.918 1.00 0.00 O ATOM 1373 CB GLU A 742 -5.695 11.487 1.855 1.00 0.00 C ATOM 1374 CG GLU A 742 -6.674 12.384 2.598 1.00 0.00 C ATOM 1375 CD GLU A 742 -7.008 13.648 1.828 1.00 0.00 C ATOM 1376 OE1 GLU A 742 -6.070 14.394 1.476 1.00 0.00 O ATOM 1377 OE2 GLU A 742 -8.208 13.893 1.579 1.00 0.00 O ATOM 0 H GLU A 742 -6.119 9.580 3.376 1.00 0.00 H new ATOM 0 HA GLU A 742 -7.299 10.374 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 742 -4.853 11.263 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 742 -5.297 12.030 0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 742 -7.592 11.830 2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 742 -6.251 12.654 3.566 1.00 0.00 H new ATOM 1384 N LEU A 743 -4.361 8.890 0.674 1.00 0.00 N ATOM 1385 CA LEU A 743 -3.447 8.257 -0.275 1.00 0.00 C ATOM 1386 C LEU A 743 -4.132 7.098 -1.003 1.00 0.00 C ATOM 1387 O LEU A 743 -4.062 6.999 -2.228 1.00 0.00 O ATOM 1388 CB LEU A 743 -2.189 7.752 0.444 1.00 0.00 C ATOM 1389 CG LEU A 743 -0.896 7.798 -0.382 1.00 0.00 C ATOM 1390 CD1 LEU A 743 0.313 7.546 0.506 1.00 0.00 C ATOM 1391 CD2 LEU A 743 -0.945 6.782 -1.516 1.00 0.00 C ATOM 0 H LEU A 743 -4.100 8.770 1.653 1.00 0.00 H new ATOM 0 HA LEU A 743 -3.157 9.006 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 743 -2.045 8.345 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 743 -2.361 6.724 0.762 1.00 0.00 H new ATOM 0 HG LEU A 743 -0.804 8.793 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 743 1.221 7.582 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 743 0.361 8.311 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 743 0.225 6.564 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 743 -0.019 6.831 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 743 -1.063 5.780 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 743 -1.788 7.006 -2.169 1.00 0.00 H new ATOM 1403 N VAL A 744 -4.788 6.220 -0.240 1.00 0.00 N ATOM 1404 CA VAL A 744 -5.476 5.065 -0.818 1.00 0.00 C ATOM 1405 C VAL A 744 -6.642 5.498 -1.703 1.00 0.00 C ATOM 1406 O VAL A 744 -6.804 4.990 -2.813 1.00 0.00 O ATOM 1407 CB VAL A 744 -5.992 4.096 0.268 1.00 0.00 C ATOM 1408 CG1 VAL A 744 -6.619 2.861 -0.366 1.00 0.00 C ATOM 1409 CG2 VAL A 744 -4.867 3.699 1.215 1.00 0.00 C ATOM 0 H VAL A 744 -4.857 6.287 0.775 1.00 0.00 H new ATOM 0 HA VAL A 744 -4.739 4.542 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 744 -6.759 4.611 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 744 -6.976 2.192 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 744 -7.456 3.161 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 744 -5.874 2.346 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 744 -5.253 3.016 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 744 -4.074 3.206 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 744 -4.468 4.590 1.700 1.00 0.00 H new ATOM 1419 N GLU A 745 -7.452 6.437 -1.211 1.00 0.00 N ATOM 1420 CA GLU A 745 -8.601 6.932 -1.971 1.00 0.00 C ATOM 1421 C GLU A 745 -8.161 7.477 -3.329 1.00 0.00 C ATOM 1422 O GLU A 745 -8.814 7.233 -4.345 1.00 0.00 O ATOM 1423 CB GLU A 745 -9.345 8.017 -1.185 1.00 0.00 C ATOM 1424 CG GLU A 745 -10.333 7.466 -0.166 1.00 0.00 C ATOM 1425 CD GLU A 745 -11.492 8.410 0.113 1.00 0.00 C ATOM 1426 OE1 GLU A 745 -11.302 9.641 0.011 1.00 0.00 O ATOM 1427 OE2 GLU A 745 -12.591 7.914 0.440 1.00 0.00 O ATOM 0 H GLU A 745 -7.335 6.868 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 745 -9.278 6.094 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 745 -8.617 8.644 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 745 -9.879 8.659 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 745 -10.726 6.515 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 745 -9.807 7.260 0.766 1.00 0.00 H new ATOM 1434 N TYR A 746 -7.043 8.210 -3.344 1.00 0.00 N ATOM 1435 CA TYR A 746 -6.515 8.779 -4.585 1.00 0.00 C ATOM 1436 C TYR A 746 -6.197 7.676 -5.597 1.00 0.00 C ATOM 1437 O TYR A 746 -6.562 7.781 -6.769 1.00 0.00 O ATOM 1438 CB TYR A 746 -5.257 9.610 -4.309 1.00 0.00 C ATOM 1439 CG TYR A 746 -5.305 11.021 -4.867 1.00 0.00 C ATOM 1440 CD1 TYR A 746 -6.421 11.832 -4.680 1.00 0.00 C ATOM 1441 CD2 TYR A 746 -4.226 11.545 -5.572 1.00 0.00 C ATOM 1442 CE1 TYR A 746 -6.458 13.120 -5.182 1.00 0.00 C ATOM 1443 CE2 TYR A 746 -4.258 12.833 -6.072 1.00 0.00 C ATOM 1444 CZ TYR A 746 -5.375 13.617 -5.875 1.00 0.00 C ATOM 1445 OH TYR A 746 -5.406 14.901 -6.371 1.00 0.00 O ATOM 0 H TYR A 746 -6.489 8.422 -2.514 1.00 0.00 H new ATOM 0 HA TYR A 746 -7.281 9.430 -5.006 1.00 0.00 H new ATOM 0 HB2 TYR A 746 -5.100 9.663 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 746 -4.395 9.094 -4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 746 -7.271 11.449 -4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 746 -3.349 10.935 -5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 746 -7.333 13.735 -5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 746 -3.411 13.224 -6.615 1.00 0.00 H new ATOM 0 HH TYR A 746 -4.563 15.094 -6.832 1.00 0.00 H new ATOM 1455 N TYR A 747 -5.516 6.623 -5.141 1.00 0.00 N ATOM 1456 CA TYR A 747 -5.155 5.506 -6.015 1.00 0.00 C ATOM 1457 C TYR A 747 -6.347 4.586 -6.277 1.00 0.00 C ATOM 1458 O TYR A 747 -6.369 3.863 -7.275 1.00 0.00 O ATOM 1459 CB TYR A 747 -3.997 4.704 -5.420 1.00 0.00 C ATOM 1460 CG TYR A 747 -2.638 5.317 -5.688 1.00 0.00 C ATOM 1461 CD1 TYR A 747 -2.154 5.443 -6.984 1.00 0.00 C ATOM 1462 CD2 TYR A 747 -1.841 5.770 -4.643 1.00 0.00 C ATOM 1463 CE1 TYR A 747 -0.916 6.005 -7.232 1.00 0.00 C ATOM 1464 CE2 TYR A 747 -0.603 6.333 -4.884 1.00 0.00 C ATOM 1465 CZ TYR A 747 -0.145 6.446 -6.180 1.00 0.00 C ATOM 1466 OH TYR A 747 1.088 7.006 -6.422 1.00 0.00 O ATOM 0 H TYR A 747 -5.204 6.521 -4.175 1.00 0.00 H new ATOM 0 HA TYR A 747 -4.840 5.931 -6.968 1.00 0.00 H new ATOM 0 HB2 TYR A 747 -4.141 4.616 -4.343 1.00 0.00 H new ATOM 0 HB3 TYR A 747 -4.018 3.693 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 747 -2.755 5.096 -7.811 1.00 0.00 H new ATOM 0 HD2 TYR A 747 -2.195 5.680 -3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 747 -0.555 6.098 -8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 747 0.003 6.683 -4.062 1.00 0.00 H new ATOM 0 HH TYR A 747 1.708 6.312 -6.730 1.00 0.00 H new ATOM 1476 N GLN A 748 -7.344 4.618 -5.390 1.00 0.00 N ATOM 1477 CA GLN A 748 -8.536 3.791 -5.558 1.00 0.00 C ATOM 1478 C GLN A 748 -9.229 4.130 -6.876 1.00 0.00 C ATOM 1479 O GLN A 748 -9.813 3.259 -7.522 1.00 0.00 O ATOM 1480 CB GLN A 748 -9.508 3.990 -4.389 1.00 0.00 C ATOM 1481 CG GLN A 748 -10.000 2.688 -3.772 1.00 0.00 C ATOM 1482 CD GLN A 748 -10.181 2.783 -2.269 1.00 0.00 C ATOM 1483 OE1 GLN A 748 -10.855 3.682 -1.767 1.00 0.00 O ATOM 1484 NE2 GLN A 748 -9.576 1.851 -1.539 1.00 0.00 N ATOM 0 H GLN A 748 -7.348 5.204 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 748 -8.227 2.746 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -9.018 4.584 -3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -10.367 4.564 -4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -10.949 2.409 -4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -9.290 1.892 -3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -9.026 1.123 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -9.661 1.864 -0.523 1.00 0.00 H new ATOM 1493 N CYS A 749 -9.155 5.405 -7.269 1.00 0.00 N ATOM 1494 CA CYS A 749 -9.769 5.869 -8.511 1.00 0.00 C ATOM 1495 C CYS A 749 -8.718 6.145 -9.593 1.00 0.00 C ATOM 1496 O CYS A 749 -8.964 5.900 -10.773 1.00 0.00 O ATOM 1497 CB CYS A 749 -10.595 7.131 -8.259 1.00 0.00 C ATOM 1498 SG CYS A 749 -12.141 7.197 -9.196 1.00 0.00 S ATOM 0 H CYS A 749 -8.674 6.134 -6.742 1.00 0.00 H new ATOM 0 HA CYS A 749 -10.423 5.074 -8.869 1.00 0.00 H new ATOM 0 HB2 CYS A 749 -10.824 7.197 -7.195 1.00 0.00 H new ATOM 0 HB3 CYS A 749 -9.992 8.004 -8.510 1.00 0.00 H new ATOM 0 HG CYS A 749 -12.772 8.299 -8.916 1.00 0.00 H new ATOM 1504 N HIS A 750 -7.552 6.663 -9.191 1.00 0.00 N ATOM 1505 CA HIS A 750 -6.485 6.974 -10.148 1.00 0.00 C ATOM 1506 C HIS A 750 -5.520 5.796 -10.303 1.00 0.00 C ATOM 1507 O HIS A 750 -5.178 5.128 -9.325 1.00 0.00 O ATOM 1508 CB HIS A 750 -5.708 8.221 -9.714 1.00 0.00 C ATOM 1509 CG HIS A 750 -6.542 9.464 -9.630 1.00 0.00 C ATOM 1510 ND1 HIS A 750 -6.620 10.242 -8.491 1.00 0.00 N ATOM 1511 CD2 HIS A 750 -7.321 10.076 -10.553 1.00 0.00 C ATOM 1512 CE1 HIS A 750 -7.410 11.276 -8.720 1.00 0.00 C ATOM 1513 NE2 HIS A 750 -7.848 11.199 -9.963 1.00 0.00 N ATOM 0 H HIS A 750 -7.325 6.874 -8.219 1.00 0.00 H new ATOM 0 HA HIS A 750 -6.958 7.167 -11.111 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -5.256 8.033 -8.740 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -4.892 8.391 -10.417 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -7.496 9.743 -11.565 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -7.656 12.052 -8.011 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -8.476 11.865 -10.412 1.00 0.00 H new ATOM 1522 N SER A 751 -5.080 5.554 -11.539 1.00 0.00 N ATOM 1523 CA SER A 751 -4.151 4.461 -11.830 1.00 0.00 C ATOM 1524 C SER A 751 -2.764 4.746 -11.255 1.00 0.00 C ATOM 1525 O SER A 751 -2.332 5.897 -11.184 1.00 0.00 O ATOM 1526 CB SER A 751 -4.047 4.234 -13.341 1.00 0.00 C ATOM 1527 OG SER A 751 -3.156 3.171 -13.640 1.00 0.00 O ATOM 0 H SER A 751 -5.353 6.101 -12.356 1.00 0.00 H new ATOM 0 HA SER A 751 -4.542 3.560 -11.358 1.00 0.00 H new ATOM 0 HB2 SER A 751 -5.034 4.010 -13.746 1.00 0.00 H new ATOM 0 HB3 SER A 751 -3.703 5.148 -13.826 1.00 0.00 H new ATOM 0 HG SER A 751 -3.110 3.046 -14.611 1.00 0.00 H new ATOM 1533 N LEU A 752 -2.067 3.685 -10.853 1.00 0.00 N ATOM 1534 CA LEU A 752 -0.725 3.818 -10.291 1.00 0.00 C ATOM 1535 C LEU A 752 0.284 4.272 -11.353 1.00 0.00 C ATOM 1536 O LEU A 752 1.354 4.780 -11.017 1.00 0.00 O ATOM 1537 CB LEU A 752 -0.278 2.498 -9.662 1.00 0.00 C ATOM 1538 CG LEU A 752 -0.818 2.245 -8.251 1.00 0.00 C ATOM 1539 CD1 LEU A 752 -1.313 0.812 -8.117 1.00 0.00 C ATOM 1540 CD2 LEU A 752 0.253 2.549 -7.211 1.00 0.00 C ATOM 0 H LEU A 752 -2.409 2.725 -10.906 1.00 0.00 H new ATOM 0 HA LEU A 752 -0.762 4.584 -9.516 1.00 0.00 H new ATOM 0 HB2 LEU A 752 -0.592 1.679 -10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 752 0.811 2.478 -9.628 1.00 0.00 H new ATOM 0 HG LEU A 752 -1.662 2.912 -8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 752 -1.693 0.651 -7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 752 -2.111 0.634 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 752 -0.490 0.123 -8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 752 -0.146 2.365 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 752 1.118 1.907 -7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 752 0.555 3.593 -7.294 1.00 0.00 H new ATOM 1552 N LYS A 753 -0.064 4.090 -12.632 1.00 0.00 N ATOM 1553 CA LYS A 753 0.811 4.489 -13.736 1.00 0.00 C ATOM 1554 C LYS A 753 1.230 5.955 -13.622 1.00 0.00 C ATOM 1555 O LYS A 753 2.326 6.326 -14.044 1.00 0.00 O ATOM 1556 CB LYS A 753 0.118 4.255 -15.082 1.00 0.00 C ATOM 1557 CG LYS A 753 -1.125 5.110 -15.292 1.00 0.00 C ATOM 1558 CD LYS A 753 -1.836 4.756 -16.589 1.00 0.00 C ATOM 1559 CE LYS A 753 -1.841 5.924 -17.563 1.00 0.00 C ATOM 1560 NZ LYS A 753 -0.517 6.103 -18.226 1.00 0.00 N ATOM 0 H LYS A 753 -0.945 3.669 -12.926 1.00 0.00 H new ATOM 0 HA LYS A 753 1.708 3.872 -13.678 1.00 0.00 H new ATOM 0 HB2 LYS A 753 0.827 4.458 -15.885 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -0.159 3.204 -15.159 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -1.807 4.973 -14.453 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -0.845 6.163 -15.306 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -1.346 3.899 -17.051 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -2.862 4.458 -16.372 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -2.607 5.761 -18.321 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -2.107 6.838 -17.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -0.563 6.909 -18.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 0.211 6.284 -17.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -0.274 5.241 -18.754 1.00 0.00 H new ATOM 1574 N GLU A 754 0.350 6.786 -13.057 1.00 0.00 N ATOM 1575 CA GLU A 754 0.628 8.212 -12.896 1.00 0.00 C ATOM 1576 C GLU A 754 1.957 8.440 -12.173 1.00 0.00 C ATOM 1577 O GLU A 754 2.773 9.254 -12.605 1.00 0.00 O ATOM 1578 CB GLU A 754 -0.504 8.902 -12.127 1.00 0.00 C ATOM 1579 CG GLU A 754 -1.879 8.731 -12.763 1.00 0.00 C ATOM 1580 CD GLU A 754 -1.888 9.087 -14.239 1.00 0.00 C ATOM 1581 OE1 GLU A 754 -1.476 10.215 -14.583 1.00 0.00 O ATOM 1582 OE2 GLU A 754 -2.307 8.236 -15.052 1.00 0.00 O ATOM 0 H GLU A 754 -0.561 6.494 -12.704 1.00 0.00 H new ATOM 0 HA GLU A 754 0.697 8.646 -13.893 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -0.533 8.507 -11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -0.281 9.966 -12.049 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -2.206 7.699 -12.640 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -2.599 9.358 -12.237 1.00 0.00 H new ATOM 1589 N SER A 755 2.168 7.715 -11.075 1.00 0.00 N ATOM 1590 CA SER A 755 3.400 7.845 -10.300 1.00 0.00 C ATOM 1591 C SER A 755 4.414 6.772 -10.692 1.00 0.00 C ATOM 1592 O SER A 755 5.575 7.079 -10.959 1.00 0.00 O ATOM 1593 CB SER A 755 3.104 7.756 -8.802 1.00 0.00 C ATOM 1594 OG SER A 755 2.212 8.780 -8.395 1.00 0.00 O ATOM 0 H SER A 755 1.505 7.035 -10.704 1.00 0.00 H new ATOM 0 HA SER A 755 3.829 8.822 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 755 2.673 6.782 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 755 4.034 7.835 -8.239 1.00 0.00 H new ATOM 0 HG SER A 755 1.643 8.449 -7.669 1.00 0.00 H new ATOM 1600 N PHE A 756 3.971 5.516 -10.728 1.00 0.00 N ATOM 1601 CA PHE A 756 4.843 4.403 -11.092 1.00 0.00 C ATOM 1602 C PHE A 756 4.534 3.923 -12.506 1.00 0.00 C ATOM 1603 O PHE A 756 3.559 3.203 -12.725 1.00 0.00 O ATOM 1604 CB PHE A 756 4.684 3.244 -10.103 1.00 0.00 C ATOM 1605 CG PHE A 756 4.825 3.648 -8.662 1.00 0.00 C ATOM 1606 CD1 PHE A 756 6.044 4.081 -8.163 1.00 0.00 C ATOM 1607 CD2 PHE A 756 3.736 3.593 -7.807 1.00 0.00 C ATOM 1608 CE1 PHE A 756 6.173 4.452 -6.841 1.00 0.00 C ATOM 1609 CE2 PHE A 756 3.860 3.962 -6.483 1.00 0.00 C ATOM 1610 CZ PHE A 756 5.080 4.392 -5.998 1.00 0.00 C ATOM 0 H PHE A 756 3.012 5.245 -10.509 1.00 0.00 H new ATOM 0 HA PHE A 756 5.874 4.755 -11.055 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.705 2.788 -10.248 1.00 0.00 H new ATOM 0 HB3 PHE A 756 5.428 2.481 -10.330 1.00 0.00 H new ATOM 0 HD1 PHE A 756 6.902 4.128 -8.817 1.00 0.00 H new ATOM 0 HD2 PHE A 756 2.780 3.258 -8.181 1.00 0.00 H new ATOM 0 HE1 PHE A 756 7.128 4.789 -6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 756 3.004 3.915 -5.826 1.00 0.00 H new ATOM 0 HZ PHE A 756 5.179 4.681 -4.962 1.00 0.00 H new ATOM 1620 N LYS A 757 5.366 4.328 -13.463 1.00 0.00 N ATOM 1621 CA LYS A 757 5.179 3.941 -14.863 1.00 0.00 C ATOM 1622 C LYS A 757 5.100 2.419 -15.019 1.00 0.00 C ATOM 1623 O LYS A 757 4.367 1.917 -15.870 1.00 0.00 O ATOM 1624 CB LYS A 757 6.310 4.499 -15.732 1.00 0.00 C ATOM 1625 CG LYS A 757 7.704 4.166 -15.220 1.00 0.00 C ATOM 1626 CD LYS A 757 8.784 4.717 -16.139 1.00 0.00 C ATOM 1627 CE LYS A 757 10.172 4.535 -15.538 1.00 0.00 C ATOM 1628 NZ LYS A 757 11.107 5.622 -15.943 1.00 0.00 N ATOM 0 H LYS A 757 6.177 4.924 -13.296 1.00 0.00 H new ATOM 0 HA LYS A 757 4.232 4.365 -15.196 1.00 0.00 H new ATOM 0 HB2 LYS A 757 6.203 4.109 -16.744 1.00 0.00 H new ATOM 0 HB3 LYS A 757 6.206 5.582 -15.795 1.00 0.00 H new ATOM 0 HG2 LYS A 757 7.833 4.577 -14.219 1.00 0.00 H new ATOM 0 HG3 LYS A 757 7.813 3.085 -15.137 1.00 0.00 H new ATOM 0 HD2 LYS A 757 8.735 4.212 -17.104 1.00 0.00 H new ATOM 0 HD3 LYS A 757 8.602 5.776 -16.323 1.00 0.00 H new ATOM 0 HE2 LYS A 757 10.095 4.510 -14.451 1.00 0.00 H new ATOM 0 HE3 LYS A 757 10.578 3.573 -15.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 757 11.924 5.211 -16.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 757 10.616 6.284 -16.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 757 11.435 6.131 -15.097 1.00 0.00 H new ATOM 1642 N GLN A 758 5.855 1.695 -14.189 1.00 0.00 N ATOM 1643 CA GLN A 758 5.866 0.232 -14.231 1.00 0.00 C ATOM 1644 C GLN A 758 4.487 -0.348 -13.900 1.00 0.00 C ATOM 1645 O GLN A 758 4.125 -1.421 -14.384 1.00 0.00 O ATOM 1646 CB GLN A 758 6.904 -0.317 -13.247 1.00 0.00 C ATOM 1647 CG GLN A 758 7.697 -1.496 -13.787 1.00 0.00 C ATOM 1648 CD GLN A 758 7.812 -2.632 -12.784 1.00 0.00 C ATOM 1649 OE1 GLN A 758 6.970 -3.528 -12.748 1.00 0.00 O ATOM 1650 NE2 GLN A 758 8.859 -2.599 -11.966 1.00 0.00 N ATOM 0 H GLN A 758 6.467 2.099 -13.480 1.00 0.00 H new ATOM 0 HA GLN A 758 6.129 -0.068 -15.245 1.00 0.00 H new ATOM 0 HB2 GLN A 758 7.595 0.482 -12.979 1.00 0.00 H new ATOM 0 HB3 GLN A 758 6.398 -0.621 -12.331 1.00 0.00 H new ATOM 0 HG2 GLN A 758 7.220 -1.865 -14.695 1.00 0.00 H new ATOM 0 HG3 GLN A 758 8.696 -1.160 -14.066 1.00 0.00 H new ATOM 0 HE21 GLN A 758 9.533 -1.836 -12.031 1.00 0.00 H new ATOM 0 HE22 GLN A 758 8.988 -3.336 -11.273 1.00 0.00 H new ATOM 1659 N LEU A 759 3.724 0.365 -13.070 1.00 0.00 N ATOM 1660 CA LEU A 759 2.390 -0.080 -12.673 1.00 0.00 C ATOM 1661 C LEU A 759 1.311 0.571 -13.535 1.00 0.00 C ATOM 1662 O LEU A 759 1.503 1.669 -14.058 1.00 0.00 O ATOM 1663 CB LEU A 759 2.144 0.252 -11.197 1.00 0.00 C ATOM 1664 CG LEU A 759 1.831 -0.945 -10.297 1.00 0.00 C ATOM 1665 CD1 LEU A 759 2.971 -1.953 -10.323 1.00 0.00 C ATOM 1666 CD2 LEU A 759 1.565 -0.481 -8.873 1.00 0.00 C ATOM 0 H LEU A 759 4.009 1.254 -12.660 1.00 0.00 H new ATOM 0 HA LEU A 759 2.338 -1.159 -12.817 1.00 0.00 H new ATOM 0 HB2 LEU A 759 3.026 0.759 -10.805 1.00 0.00 H new ATOM 0 HB3 LEU A 759 1.316 0.958 -11.134 1.00 0.00 H new ATOM 0 HG LEU A 759 0.935 -1.434 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 759 2.727 -2.795 -9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 759 3.119 -2.309 -11.343 1.00 0.00 H new ATOM 0 HD13 LEU A 759 3.886 -1.477 -9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 759 1.344 -1.344 -8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 759 2.446 0.033 -8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 759 0.715 0.201 -8.865 1.00 0.00 H new ATOM 1678 N ASP A 760 0.172 -0.109 -13.669 1.00 0.00 N ATOM 1679 CA ASP A 760 -0.949 0.406 -14.456 1.00 0.00 C ATOM 1680 C ASP A 760 -2.266 -0.234 -14.008 1.00 0.00 C ATOM 1681 O ASP A 760 -3.113 -0.588 -14.832 1.00 0.00 O ATOM 1682 CB ASP A 760 -0.720 0.157 -15.952 1.00 0.00 C ATOM 1683 CG ASP A 760 -1.249 1.288 -16.817 1.00 0.00 C ATOM 1684 OD1 ASP A 760 -2.415 1.690 -16.627 1.00 0.00 O ATOM 1685 OD2 ASP A 760 -0.493 1.773 -17.684 1.00 0.00 O ATOM 0 H ASP A 760 0.001 -1.019 -13.242 1.00 0.00 H new ATOM 0 HA ASP A 760 -1.013 1.481 -14.289 1.00 0.00 H new ATOM 0 HB2 ASP A 760 0.347 0.031 -16.137 1.00 0.00 H new ATOM 0 HB3 ASP A 760 -1.206 -0.775 -16.241 1.00 0.00 H new ATOM 1690 N THR A 761 -2.426 -0.376 -12.694 1.00 0.00 N ATOM 1691 CA THR A 761 -3.629 -0.969 -12.118 1.00 0.00 C ATOM 1692 C THR A 761 -4.078 -0.191 -10.882 1.00 0.00 C ATOM 1693 O THR A 761 -3.322 0.614 -10.335 1.00 0.00 O ATOM 1694 CB THR A 761 -3.372 -2.438 -11.760 1.00 0.00 C ATOM 1695 OG1 THR A 761 -4.499 -3.013 -11.109 1.00 0.00 O ATOM 1696 CG2 THR A 761 -2.161 -2.629 -10.866 1.00 0.00 C ATOM 0 H THR A 761 -1.732 -0.086 -12.005 1.00 0.00 H new ATOM 0 HA THR A 761 -4.427 -0.921 -12.859 1.00 0.00 H new ATOM 0 HB THR A 761 -3.183 -2.938 -12.710 1.00 0.00 H new ATOM 0 HG1 THR A 761 -4.309 -3.950 -10.893 1.00 0.00 H new ATOM 0 HG21 THR A 761 -2.033 -3.689 -10.649 1.00 0.00 H new ATOM 0 HG22 THR A 761 -1.272 -2.252 -11.372 1.00 0.00 H new ATOM 0 HG23 THR A 761 -2.307 -2.083 -9.934 1.00 0.00 H new ATOM 1704 N THR A 762 -5.313 -0.439 -10.450 1.00 0.00 N ATOM 1705 CA THR A 762 -5.873 0.231 -9.279 1.00 0.00 C ATOM 1706 C THR A 762 -6.379 -0.790 -8.257 1.00 0.00 C ATOM 1707 O THR A 762 -6.507 -1.978 -8.562 1.00 0.00 O ATOM 1708 CB THR A 762 -7.012 1.169 -9.697 1.00 0.00 C ATOM 1709 OG1 THR A 762 -7.982 0.477 -10.466 1.00 0.00 O ATOM 1710 CG2 THR A 762 -6.540 2.363 -10.505 1.00 0.00 C ATOM 0 H THR A 762 -5.947 -1.102 -10.896 1.00 0.00 H new ATOM 0 HA THR A 762 -5.083 0.820 -8.813 1.00 0.00 H new ATOM 0 HB THR A 762 -7.442 1.533 -8.764 1.00 0.00 H new ATOM 0 HG1 THR A 762 -8.699 1.094 -10.720 1.00 0.00 H new ATOM 0 HG21 THR A 762 -7.395 2.985 -10.768 1.00 0.00 H new ATOM 0 HG22 THR A 762 -5.835 2.947 -9.913 1.00 0.00 H new ATOM 0 HG23 THR A 762 -6.050 2.016 -11.415 1.00 0.00 H new ATOM 1718 N LEU A 763 -6.660 -0.319 -7.042 1.00 0.00 N ATOM 1719 CA LEU A 763 -7.148 -1.192 -5.974 1.00 0.00 C ATOM 1720 C LEU A 763 -8.534 -1.743 -6.314 1.00 0.00 C ATOM 1721 O LEU A 763 -9.525 -1.012 -6.285 1.00 0.00 O ATOM 1722 CB LEU A 763 -7.194 -0.441 -4.637 1.00 0.00 C ATOM 1723 CG LEU A 763 -5.919 0.333 -4.274 1.00 0.00 C ATOM 1724 CD1 LEU A 763 -6.098 1.086 -2.963 1.00 0.00 C ATOM 1725 CD2 LEU A 763 -4.727 -0.611 -4.191 1.00 0.00 C ATOM 0 H LEU A 763 -6.558 0.660 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 763 -6.454 -2.028 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -8.029 0.259 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -7.402 -1.159 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 763 -5.727 1.062 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -5.182 1.627 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -6.922 1.793 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -6.318 0.378 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -3.832 -0.045 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -4.913 -1.365 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -4.582 -1.099 -5.155 1.00 0.00 H new ATOM 1737 N LYS A 764 -8.592 -3.035 -6.644 1.00 0.00 N ATOM 1738 CA LYS A 764 -9.856 -3.682 -6.999 1.00 0.00 C ATOM 1739 C LYS A 764 -10.403 -4.520 -5.841 1.00 0.00 C ATOM 1740 O LYS A 764 -11.527 -4.300 -5.389 1.00 0.00 O ATOM 1741 CB LYS A 764 -9.668 -4.566 -8.238 1.00 0.00 C ATOM 1742 CG LYS A 764 -9.842 -3.823 -9.553 1.00 0.00 C ATOM 1743 CD LYS A 764 -9.633 -4.748 -10.744 1.00 0.00 C ATOM 1744 CE LYS A 764 -10.418 -4.282 -11.963 1.00 0.00 C ATOM 1745 NZ LYS A 764 -9.594 -3.439 -12.877 1.00 0.00 N ATOM 0 H LYS A 764 -7.780 -3.652 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 764 -10.580 -2.897 -7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 764 -8.672 -5.008 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 764 -10.383 -5.388 -8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 764 -10.841 -3.389 -9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 764 -9.133 -2.997 -9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 764 -8.572 -4.792 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 764 -9.940 -5.759 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 764 -10.788 -5.150 -12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 764 -11.290 -3.715 -11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 764 -10.170 -3.145 -13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 764 -9.261 -2.596 -12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 764 -8.776 -3.987 -13.211 1.00 0.00 H new ATOM 1759 N TYR A 765 -9.613 -5.489 -5.372 1.00 0.00 N ATOM 1760 CA TYR A 765 -10.041 -6.361 -4.278 1.00 0.00 C ATOM 1761 C TYR A 765 -8.947 -6.536 -3.228 1.00 0.00 C ATOM 1762 O TYR A 765 -7.772 -6.683 -3.566 1.00 0.00 O ATOM 1763 CB TYR A 765 -10.441 -7.735 -4.822 1.00 0.00 C ATOM 1764 CG TYR A 765 -11.404 -7.674 -5.987 1.00 0.00 C ATOM 1765 CD1 TYR A 765 -12.761 -7.459 -5.782 1.00 0.00 C ATOM 1766 CD2 TYR A 765 -10.952 -7.828 -7.291 1.00 0.00 C ATOM 1767 CE1 TYR A 765 -13.642 -7.399 -6.845 1.00 0.00 C ATOM 1768 CE2 TYR A 765 -11.826 -7.768 -8.359 1.00 0.00 C ATOM 1769 CZ TYR A 765 -13.169 -7.555 -8.132 1.00 0.00 C ATOM 1770 OH TYR A 765 -14.042 -7.496 -9.193 1.00 0.00 O ATOM 0 H TYR A 765 -8.679 -5.688 -5.731 1.00 0.00 H new ATOM 0 HA TYR A 765 -10.898 -5.884 -3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 765 -9.542 -8.268 -5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 765 -10.894 -8.316 -4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 765 -13.133 -7.337 -4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 765 -9.901 -7.997 -7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 765 -14.694 -7.231 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 765 -11.459 -7.887 -9.368 1.00 0.00 H new ATOM 0 HH TYR A 765 -13.549 -7.624 -10.030 1.00 0.00 H new ATOM 1780 N PRO A 766 -9.323 -6.536 -1.932 1.00 0.00 N ATOM 1781 CA PRO A 766 -8.372 -6.712 -0.827 1.00 0.00 C ATOM 1782 C PRO A 766 -7.782 -8.123 -0.802 1.00 0.00 C ATOM 1783 O PRO A 766 -8.013 -8.920 -1.714 1.00 0.00 O ATOM 1784 CB PRO A 766 -9.212 -6.462 0.436 1.00 0.00 C ATOM 1785 CG PRO A 766 -10.492 -5.863 -0.042 1.00 0.00 C ATOM 1786 CD PRO A 766 -10.699 -6.374 -1.438 1.00 0.00 C ATOM 0 HA PRO A 766 -7.520 -6.038 -0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -9.392 -7.391 0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -8.697 -5.789 1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 766 -11.321 -6.150 0.604 1.00 0.00 H new ATOM 0 HG3 PRO A 766 -10.441 -4.774 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -11.246 -7.317 -1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -11.267 -5.670 -2.046 1.00 0.00 H new ATOM 1794 N TYR A 767 -7.020 -8.428 0.250 1.00 0.00 N ATOM 1795 CA TYR A 767 -6.398 -9.746 0.387 1.00 0.00 C ATOM 1796 C TYR A 767 -7.290 -10.721 1.165 1.00 0.00 C ATOM 1797 O TYR A 767 -7.234 -11.931 0.936 1.00 0.00 O ATOM 1798 CB TYR A 767 -5.025 -9.626 1.063 1.00 0.00 C ATOM 1799 CG TYR A 767 -5.071 -9.217 2.521 1.00 0.00 C ATOM 1800 CD1 TYR A 767 -5.205 -7.880 2.888 1.00 0.00 C ATOM 1801 CD2 TYR A 767 -4.973 -10.165 3.531 1.00 0.00 C ATOM 1802 CE1 TYR A 767 -5.237 -7.506 4.218 1.00 0.00 C ATOM 1803 CE2 TYR A 767 -5.003 -9.796 4.861 1.00 0.00 C ATOM 1804 CZ TYR A 767 -5.135 -8.469 5.200 1.00 0.00 C ATOM 1805 OH TYR A 767 -5.160 -8.101 6.525 1.00 0.00 O ATOM 0 H TYR A 767 -6.820 -7.784 1.015 1.00 0.00 H new ATOM 0 HA TYR A 767 -6.266 -10.149 -0.617 1.00 0.00 H new ATOM 0 HB2 TYR A 767 -4.512 -10.584 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 767 -4.427 -8.898 0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 767 -5.285 -7.124 2.121 1.00 0.00 H new ATOM 0 HD2 TYR A 767 -4.872 -11.208 3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 767 -5.341 -6.465 4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 767 -4.923 -10.547 5.633 1.00 0.00 H new ATOM 0 HH TYR A 767 -5.488 -7.181 6.603 1.00 0.00 H new ATOM 1815 N LYS A 768 -8.105 -10.197 2.082 1.00 0.00 N ATOM 1816 CA LYS A 768 -8.995 -11.039 2.883 1.00 0.00 C ATOM 1817 C LYS A 768 -10.275 -11.406 2.120 1.00 0.00 C ATOM 1818 O LYS A 768 -10.926 -12.401 2.442 1.00 0.00 O ATOM 1819 CB LYS A 768 -9.368 -10.340 4.195 1.00 0.00 C ATOM 1820 CG LYS A 768 -8.173 -9.918 5.036 1.00 0.00 C ATOM 1821 CD LYS A 768 -8.574 -9.672 6.484 1.00 0.00 C ATOM 1822 CE LYS A 768 -8.195 -10.846 7.375 1.00 0.00 C ATOM 1823 NZ LYS A 768 -8.935 -10.826 8.668 1.00 0.00 N ATOM 0 H LYS A 768 -8.167 -9.200 2.288 1.00 0.00 H new ATOM 0 HA LYS A 768 -8.451 -11.958 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 768 -9.967 -9.459 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 768 -9.996 -11.008 4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 768 -7.406 -10.691 4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 768 -7.734 -9.012 4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 768 -8.089 -8.766 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 768 -9.649 -9.503 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 768 -8.403 -11.780 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 768 -7.123 -10.822 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 768 -8.648 -11.642 9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 768 -8.717 -9.947 9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 768 -9.957 -10.875 8.484 1.00 0.00 H new ATOM 1975 N GLU B1409 9.052 -0.658 -5.506 1.00 0.00 N ATOM 1976 CA GLU B1409 8.848 -0.113 -6.845 1.00 0.00 C ATOM 1977 C GLU B1409 9.619 1.194 -7.033 1.00 0.00 C ATOM 1978 O GLU B1409 10.227 1.707 -6.090 1.00 0.00 O ATOM 1979 CB GLU B1409 7.354 0.116 -7.108 1.00 0.00 C ATOM 1980 CG GLU B1409 6.683 -1.021 -7.864 1.00 0.00 C ATOM 1981 CD GLU B1409 6.992 -1.012 -9.351 1.00 0.00 C ATOM 1982 OE1 GLU B1409 8.174 -0.843 -9.715 1.00 0.00 O ATOM 1983 OE2 GLU B1409 6.050 -1.178 -10.151 1.00 0.00 O ATOM 0 HA GLU B1409 9.228 -0.840 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU B1409 6.844 0.257 -6.155 1.00 0.00 H new ATOM 0 HB3 GLU B1409 7.232 1.039 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU B1409 7.004 -1.972 -7.438 1.00 0.00 H new ATOM 0 HG3 GLU B1409 5.604 -0.956 -7.723 1.00 0.00 H new ATOM 1990 N GLU B1410 9.593 1.725 -8.255 1.00 0.00 N ATOM 1991 CA GLU B1410 10.293 2.969 -8.564 1.00 0.00 C ATOM 1992 C GLU B1410 9.371 3.959 -9.268 1.00 0.00 C ATOM 1993 O GLU B1410 8.641 3.590 -10.190 1.00 0.00 O ATOM 1994 CB GLU B1410 11.520 2.683 -9.436 1.00 0.00 C ATOM 1995 CG GLU B1410 12.777 3.402 -8.972 1.00 0.00 C ATOM 1996 CD GLU B1410 12.594 4.906 -8.899 1.00 0.00 C ATOM 1997 OE1 GLU B1410 12.731 5.572 -9.947 1.00 0.00 O ATOM 1998 OE2 GLU B1410 12.303 5.415 -7.796 1.00 0.00 O ATOM 0 H GLU B1410 9.096 1.313 -9.045 1.00 0.00 H new ATOM 0 HA GLU B1410 10.618 3.416 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU B1410 11.708 1.609 -9.444 1.00 0.00 H new ATOM 0 HB3 GLU B1410 11.302 2.976 -10.463 1.00 0.00 H new ATOM 0 HG2 GLU B1410 13.065 3.026 -7.990 1.00 0.00 H new ATOM 0 HG3 GLU B1410 13.596 3.172 -9.654 1.00 0.00 H new ATOM 2005 N VAL B1411 9.412 5.218 -8.832 1.00 0.00 N ATOM 2006 CA VAL B1411 8.581 6.262 -9.425 1.00 0.00 C ATOM 2007 C VAL B1411 8.906 6.440 -10.911 1.00 0.00 C ATOM 2008 O VAL B1411 8.033 6.279 -11.763 1.00 0.00 O ATOM 2009 CB VAL B1411 8.753 7.614 -8.693 1.00 0.00 C ATOM 2010 CG1 VAL B1411 7.737 8.632 -9.195 1.00 0.00 C ATOM 2011 CG2 VAL B1411 8.629 7.433 -7.185 1.00 0.00 C ATOM 0 H VAL B1411 10.011 5.538 -8.071 1.00 0.00 H new ATOM 0 HA VAL B1411 7.544 5.942 -9.319 1.00 0.00 H new ATOM 0 HB VAL B1411 9.752 7.991 -8.910 1.00 0.00 H new ATOM 0 HG11 VAL B1411 7.876 9.575 -8.667 1.00 0.00 H new ATOM 0 HG12 VAL B1411 7.878 8.790 -10.264 1.00 0.00 H new ATOM 0 HG13 VAL B1411 6.729 8.260 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL B1411 8.753 8.397 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL B1411 7.646 7.028 -6.947 1.00 0.00 H new ATOM 0 HG23 VAL B1411 9.399 6.745 -6.837 1.00 0.00 H new ATOM 2021 N GLY B1412 10.162 6.763 -11.217 1.00 0.00 N ATOM 2022 CA GLY B1412 10.559 6.944 -12.606 1.00 0.00 C ATOM 2023 C GLY B1412 11.902 7.636 -12.761 1.00 0.00 C ATOM 2024 O GLY B1412 12.528 7.472 -13.830 1.00 0.00 O ATOM 2025 OXT GLY B1412 12.324 8.344 -11.823 1.00 0.00 O ATOM 0 H GLY B1412 10.907 6.902 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY B1412 10.601 5.971 -13.095 1.00 0.00 H new ATOM 0 HA3 GLY B1412 9.796 7.527 -13.122 1.00 0.00 H new