USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 745 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 532 ASN : amide:sc= -2.1! K(o=-1.4!,f=-2.6) USER MOD Set 1.2: A 534 THR OG1 : rot 115:sc= 0.707 USER MOD Set 2.1: A 463 SER OG : rot -134:sc= 1.24 USER MOD Set 2.2: A 466 ASN : amide:sc= 1.02 K(o=2.3,f=-1) USER MOD Single : A 436 THR OG1 : rot 34:sc= 0.204 USER MOD Single : A 437 SER OG : rot -34:sc= 0.087 USER MOD Single : A 456 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.1!) USER MOD Single : A 457 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.045) USER MOD Single : A 458 SER OG : rot 180:sc= 0.148 USER MOD Single : A 459 ASN : amide:sc= 0.0234 K(o=0.023,f=-2.6!) USER MOD Single : A 462 GLN :FLIP amide:sc= -4.19! C(o=-5.8!,f=-4.2!) USER MOD Single : A 464 MET CE :methyl 154:sc= -2.47 (180deg=-5.13!) USER MOD Single : A 468 GLN : amide:sc=-0.000897 K(o=-0.0009,f=-1.5) USER MOD Single : A 470 LYS NZ :NH3+ -123:sc= -0.016 (180deg=-0.272) USER MOD Single : A 472 GLN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : A 480 THR OG1 : rot 16:sc= 0.379 USER MOD Single : A 481 TYR OH : rot 30:sc=-0.00683 USER MOD Single : A 486 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.031) USER MOD Single : A 488 THR OG1 : rot 2:sc= 0.202 USER MOD Single : A 490 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 GLN :FLIP amide:sc= -4.85! C(o=-6.7!,f=-4.9!) USER MOD Single : A 496 THR OG1 : rot 180:sc= 0 USER MOD Single : A 505 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0.0061) USER MOD Single : A 507 SER OG : rot 34:sc= 0.122 USER MOD Single : A 510 THR OG1 : rot 18:sc= 0.432 USER MOD Single : A 515 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0495) USER MOD Single : A 517 GLN :FLIP amide:sc= -1.6 F(o=-2.6,f=-1.6) USER MOD Single : A 528 THR OG1 : rot -160:sc= 0 USER MOD Single : A 533 SER OG : rot -150:sc= -0.0681 USER MOD Single : A 540 MET CE :methyl -166:sc= -1.6 (180deg=-2.3) USER MOD Single : A 542 LYS NZ :NH3+ -150:sc= -0.0264 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 434 -3.090 -6.420 -9.317 1.00 0.55 N ATOM 89 CA ALA A 434 -3.282 -6.232 -7.902 1.00 0.55 C ATOM 90 C ALA A 434 -4.217 -7.289 -7.377 1.00 0.55 C ATOM 91 O ALA A 434 -4.950 -7.932 -8.129 1.00 0.55 O ATOM 92 CB ALA A 434 -3.612 -4.783 -7.534 1.00 0.55 C ATOM 0 HA ALA A 434 -2.340 -6.385 -7.375 1.00 0.55 H new ATOM 0 HB1 ALA A 434 -3.746 -4.703 -6.455 1.00 0.55 H new ATOM 0 HB2 ALA A 434 -2.795 -4.133 -7.848 1.00 0.55 H new ATOM 0 HB3 ALA A 434 -4.530 -4.480 -8.037 1.00 0.55 H new ATOM 98 N ARG A 435 -4.175 -7.499 -6.043 1.00 0.93 N ATOM 99 CA ARG A 435 -4.917 -8.524 -5.325 1.00 0.93 C ATOM 100 C ARG A 435 -5.362 -8.101 -3.954 1.00 0.93 C ATOM 101 O ARG A 435 -4.734 -7.323 -3.237 1.00 0.93 O ATOM 102 CB ARG A 435 -4.008 -9.782 -5.135 1.00 0.93 C ATOM 103 CG ARG A 435 -4.691 -11.120 -4.771 1.00 0.93 C ATOM 104 CD ARG A 435 -3.787 -12.030 -3.920 1.00 0.93 C ATOM 105 NE ARG A 435 -3.627 -11.384 -2.564 1.00 0.93 N ATOM 106 CZ ARG A 435 -2.486 -11.437 -1.809 1.00 0.93 C ATOM 107 NH1 ARG A 435 -1.398 -12.149 -2.219 1.00 0.93 N ATOM 108 NH2 ARG A 435 -2.434 -10.748 -0.631 1.00 0.93 N ATOM 0 H ARG A 435 -3.597 -6.930 -5.425 1.00 0.93 H new ATOM 0 HA ARG A 435 -5.803 -8.726 -5.927 1.00 0.93 H new ATOM 0 HB2 ARG A 435 -3.448 -9.933 -6.058 1.00 0.93 H new ATOM 0 HB3 ARG A 435 -3.281 -9.555 -4.355 1.00 0.93 H new ATOM 0 HG2 ARG A 435 -5.613 -10.917 -4.226 1.00 0.93 H new ATOM 0 HG3 ARG A 435 -4.970 -11.643 -5.686 1.00 0.93 H new ATOM 0 HD2 ARG A 435 -4.228 -13.022 -3.821 1.00 0.93 H new ATOM 0 HD3 ARG A 435 -2.816 -12.159 -4.398 1.00 0.93 H new ATOM 0 HE ARG A 435 -4.424 -10.873 -2.185 1.00 0.93 H new ATOM 0 HH11 ARG A 435 -1.424 -12.656 -3.104 1.00 0.93 H new ATOM 0 HH12 ARG A 435 -0.558 -12.175 -1.641 1.00 0.93 H new ATOM 0 HH21 ARG A 435 -3.239 -10.203 -0.323 1.00 0.93 H new ATOM 0 HH22 ARG A 435 -1.590 -10.779 -0.059 1.00 0.93 H new ATOM 122 N THR A 436 -6.528 -8.649 -3.566 1.00 0.95 N ATOM 123 CA THR A 436 -7.229 -8.336 -2.351 1.00 0.95 C ATOM 124 C THR A 436 -7.601 -9.536 -1.569 1.00 0.95 C ATOM 125 O THR A 436 -8.100 -10.512 -2.128 1.00 0.95 O ATOM 126 CB THR A 436 -8.606 -7.732 -2.700 1.00 0.95 C ATOM 127 OG1 THR A 436 -9.438 -8.487 -3.592 1.00 0.95 O ATOM 128 CG2 THR A 436 -8.288 -6.456 -3.440 1.00 0.95 C ATOM 0 H THR A 436 -7.011 -9.349 -4.129 1.00 0.95 H new ATOM 0 HA THR A 436 -6.557 -7.683 -1.794 1.00 0.95 H new ATOM 0 HB THR A 436 -9.159 -7.656 -1.764 1.00 0.95 H new ATOM 0 HG1 THR A 436 -9.300 -9.445 -3.436 1.00 0.95 H new ATOM 0 HG21 THR A 436 -9.216 -5.961 -3.726 1.00 0.95 H new ATOM 0 HG22 THR A 436 -7.708 -5.796 -2.795 1.00 0.95 H new ATOM 0 HG23 THR A 436 -7.710 -6.688 -4.334 1.00 0.95 H new ATOM 136 N SER A 437 -7.572 -9.377 -0.229 1.00 0.67 N ATOM 137 CA SER A 437 -8.293 -10.305 0.642 1.00 0.67 C ATOM 138 C SER A 437 -9.813 -10.059 0.753 1.00 0.67 C ATOM 139 O SER A 437 -10.484 -11.026 1.106 1.00 0.67 O ATOM 140 CB SER A 437 -7.683 -10.431 2.055 1.00 0.67 C ATOM 141 OG SER A 437 -8.035 -11.638 2.728 1.00 0.67 O ATOM 0 H SER A 437 -7.069 -8.633 0.255 1.00 0.67 H new ATOM 0 HA SER A 437 -8.164 -11.254 0.121 1.00 0.67 H new ATOM 0 HB2 SER A 437 -6.597 -10.372 1.979 1.00 0.67 H new ATOM 0 HB3 SER A 437 -8.007 -9.582 2.657 1.00 0.67 H new ATOM 0 HG SER A 437 -8.943 -11.902 2.472 1.00 0.67 H new ATOM 147 N GLY A 438 -10.425 -8.847 0.486 1.00 0.59 N ATOM 148 CA GLY A 438 -11.878 -8.716 0.607 1.00 0.59 C ATOM 149 C GLY A 438 -12.113 -7.581 1.512 1.00 0.59 C ATOM 150 O GLY A 438 -12.306 -6.454 1.082 1.00 0.59 O ATOM 0 H GLY A 438 -9.936 -7.999 0.200 1.00 0.59 H new ATOM 0 HA2 GLY A 438 -12.335 -8.539 -0.366 1.00 0.59 H new ATOM 0 HA3 GLY A 438 -12.320 -9.630 1.005 1.00 0.59 H new ATOM 154 N ARG A 439 -11.992 -7.798 2.838 1.00 0.60 N ATOM 155 CA ARG A 439 -12.028 -6.793 3.893 1.00 0.60 C ATOM 156 C ARG A 439 -10.849 -5.796 3.934 1.00 0.60 C ATOM 157 O ARG A 439 -10.670 -5.035 4.886 1.00 0.60 O ATOM 158 CB ARG A 439 -12.415 -7.405 5.258 1.00 0.60 C ATOM 159 CG ARG A 439 -11.522 -8.529 5.819 1.00 0.60 C ATOM 160 CD ARG A 439 -11.623 -9.914 5.149 1.00 0.60 C ATOM 161 NE ARG A 439 -13.071 -10.326 5.088 1.00 0.60 N ATOM 162 CZ ARG A 439 -13.579 -11.206 4.170 1.00 0.60 C ATOM 163 NH1 ARG A 439 -12.774 -11.799 3.242 1.00 0.60 N ATOM 164 NH2 ARG A 439 -14.915 -11.489 4.184 1.00 0.60 N ATOM 0 H ARG A 439 -11.859 -8.738 3.211 1.00 0.60 H new ATOM 0 HA ARG A 439 -12.843 -6.126 3.611 1.00 0.60 H new ATOM 0 HB2 ARG A 439 -12.440 -6.599 5.992 1.00 0.60 H new ATOM 0 HB3 ARG A 439 -13.430 -7.793 5.176 1.00 0.60 H new ATOM 0 HG2 ARG A 439 -10.485 -8.199 5.756 1.00 0.60 H new ATOM 0 HG3 ARG A 439 -11.755 -8.648 6.877 1.00 0.60 H new ATOM 0 HD2 ARG A 439 -11.199 -9.878 4.145 1.00 0.60 H new ATOM 0 HD3 ARG A 439 -11.046 -10.648 5.712 1.00 0.60 H new ATOM 0 HE ARG A 439 -13.712 -9.925 5.772 1.00 0.60 H new ATOM 0 HH11 ARG A 439 -11.776 -11.589 3.224 1.00 0.60 H new ATOM 0 HH12 ARG A 439 -13.170 -12.452 2.566 1.00 0.60 H new ATOM 0 HH21 ARG A 439 -15.523 -11.046 4.873 1.00 0.60 H new ATOM 0 HH22 ARG A 439 -15.305 -12.143 3.505 1.00 0.60 H new ATOM 178 N VAL A 440 -10.048 -5.769 2.831 1.00 0.36 N ATOM 179 CA VAL A 440 -9.067 -4.791 2.446 1.00 0.36 C ATOM 180 C VAL A 440 -9.068 -4.935 0.943 1.00 0.36 C ATOM 181 O VAL A 440 -9.138 -6.058 0.441 1.00 0.36 O ATOM 182 CB VAL A 440 -7.643 -4.910 2.984 1.00 0.36 C ATOM 183 CG1 VAL A 440 -6.907 -3.603 2.665 1.00 0.36 C ATOM 184 CG2 VAL A 440 -7.702 -5.074 4.511 1.00 0.36 C ATOM 0 H VAL A 440 -10.102 -6.519 2.142 1.00 0.36 H new ATOM 0 HA VAL A 440 -9.349 -3.827 2.870 1.00 0.36 H new ATOM 0 HB VAL A 440 -7.134 -5.763 2.535 1.00 0.36 H new ATOM 0 HG11 VAL A 440 -5.885 -3.660 3.039 1.00 0.36 H new ATOM 0 HG12 VAL A 440 -6.891 -3.449 1.586 1.00 0.36 H new ATOM 0 HG13 VAL A 440 -7.422 -2.770 3.143 1.00 0.36 H new ATOM 0 HG21 VAL A 440 -6.690 -5.160 4.907 1.00 0.36 H new ATOM 0 HG22 VAL A 440 -8.191 -4.205 4.952 1.00 0.36 H new ATOM 0 HG23 VAL A 440 -8.266 -5.973 4.759 1.00 0.36 H new ATOM 194 N ALA A 441 -8.908 -3.835 0.196 1.00 0.28 N ATOM 195 CA ALA A 441 -8.674 -3.836 -1.227 1.00 0.28 C ATOM 196 C ALA A 441 -7.780 -2.682 -1.574 1.00 0.28 C ATOM 197 O ALA A 441 -7.985 -1.587 -1.058 1.00 0.28 O ATOM 198 CB ALA A 441 -9.979 -3.682 -2.047 1.00 0.28 C ATOM 0 H ALA A 441 -8.942 -2.896 0.593 1.00 0.28 H new ATOM 0 HA ALA A 441 -8.222 -4.796 -1.477 1.00 0.28 H new ATOM 0 HB1 ALA A 441 -9.743 -3.689 -3.111 1.00 0.28 H new ATOM 0 HB2 ALA A 441 -10.652 -4.509 -1.819 1.00 0.28 H new ATOM 0 HB3 ALA A 441 -10.462 -2.739 -1.789 1.00 0.28 H new ATOM 204 N VAL A 442 -6.807 -2.849 -2.533 1.00 0.46 N ATOM 205 CA VAL A 442 -6.020 -1.719 -3.069 1.00 0.46 C ATOM 206 C VAL A 442 -6.901 -1.181 -4.208 1.00 0.46 C ATOM 207 O VAL A 442 -6.939 -1.710 -5.314 1.00 0.46 O ATOM 208 CB VAL A 442 -4.565 -2.046 -3.443 1.00 0.46 C ATOM 209 CG1 VAL A 442 -3.613 -0.934 -2.957 1.00 0.46 C ATOM 210 CG2 VAL A 442 -4.049 -3.260 -2.671 1.00 0.46 C ATOM 0 H VAL A 442 -6.563 -3.753 -2.937 1.00 0.46 H new ATOM 0 HA VAL A 442 -5.826 -0.957 -2.314 1.00 0.46 H new ATOM 0 HB VAL A 442 -4.574 -2.188 -4.524 1.00 0.46 H new ATOM 0 HG11 VAL A 442 -2.589 -1.186 -3.232 1.00 0.46 H new ATOM 0 HG12 VAL A 442 -3.891 0.012 -3.421 1.00 0.46 H new ATOM 0 HG13 VAL A 442 -3.685 -0.841 -1.873 1.00 0.46 H new ATOM 0 HG21 VAL A 442 -3.018 -3.463 -2.960 1.00 0.46 H new ATOM 0 HG22 VAL A 442 -4.093 -3.056 -1.601 1.00 0.46 H new ATOM 0 HG23 VAL A 442 -4.668 -4.127 -2.901 1.00 0.46 H new ATOM 220 N GLU A 443 -7.756 -0.200 -3.819 1.00 0.54 N ATOM 221 CA GLU A 443 -8.942 0.270 -4.525 1.00 0.54 C ATOM 222 C GLU A 443 -8.647 1.201 -5.687 1.00 0.54 C ATOM 223 O GLU A 443 -9.071 0.983 -6.823 1.00 0.54 O ATOM 224 CB GLU A 443 -9.902 0.903 -3.487 1.00 0.54 C ATOM 225 CG GLU A 443 -11.382 0.919 -3.915 1.00 0.54 C ATOM 226 CD GLU A 443 -11.751 2.221 -4.625 1.00 0.54 C ATOM 227 OE1 GLU A 443 -11.639 3.299 -3.979 1.00 0.54 O ATOM 228 OE2 GLU A 443 -12.155 2.158 -5.816 1.00 0.54 O ATOM 0 H GLU A 443 -7.612 0.306 -2.945 1.00 0.54 H new ATOM 0 HA GLU A 443 -9.418 -0.587 -5.001 1.00 0.54 H new ATOM 0 HB2 GLU A 443 -9.814 0.356 -2.548 1.00 0.54 H new ATOM 0 HB3 GLU A 443 -9.582 1.926 -3.291 1.00 0.54 H new ATOM 0 HG2 GLU A 443 -11.579 0.075 -4.577 1.00 0.54 H new ATOM 0 HG3 GLU A 443 -12.016 0.791 -3.038 1.00 0.54 H new ATOM 235 N GLU A 444 -7.837 2.248 -5.393 1.00 0.53 N ATOM 236 CA GLU A 444 -7.276 3.124 -6.404 1.00 0.53 C ATOM 237 C GLU A 444 -5.798 3.152 -6.214 1.00 0.53 C ATOM 238 O GLU A 444 -5.260 3.854 -5.376 1.00 0.53 O ATOM 239 CB GLU A 444 -7.905 4.546 -6.498 1.00 0.53 C ATOM 240 CG GLU A 444 -9.431 4.542 -6.715 1.00 0.53 C ATOM 241 CD GLU A 444 -9.997 5.962 -6.810 1.00 0.53 C ATOM 242 OE1 GLU A 444 -9.211 6.943 -6.722 1.00 0.53 O ATOM 243 OE2 GLU A 444 -11.242 6.076 -6.969 1.00 0.53 O ATOM 0 H GLU A 444 -7.565 2.493 -4.441 1.00 0.53 H new ATOM 0 HA GLU A 444 -7.532 2.706 -7.378 1.00 0.53 H new ATOM 0 HB2 GLU A 444 -7.680 5.093 -5.583 1.00 0.53 H new ATOM 0 HB3 GLU A 444 -7.433 5.088 -7.318 1.00 0.53 H new ATOM 0 HG2 GLU A 444 -9.667 3.995 -7.628 1.00 0.53 H new ATOM 0 HG3 GLU A 444 -9.913 4.013 -5.893 1.00 0.53 H new ATOM 250 N VAL A 445 -5.080 2.406 -7.083 1.00 0.50 N ATOM 251 CA VAL A 445 -3.637 2.295 -7.071 1.00 0.50 C ATOM 252 C VAL A 445 -3.178 3.197 -8.190 1.00 0.50 C ATOM 253 O VAL A 445 -3.521 3.034 -9.363 1.00 0.50 O ATOM 254 CB VAL A 445 -3.201 0.845 -7.199 1.00 0.50 C ATOM 255 CG1 VAL A 445 -3.478 0.224 -5.821 1.00 0.50 C ATOM 256 CG2 VAL A 445 -3.939 0.069 -8.319 1.00 0.50 C ATOM 0 H VAL A 445 -5.516 1.857 -7.824 1.00 0.50 H new ATOM 0 HA VAL A 445 -3.180 2.610 -6.133 1.00 0.50 H new ATOM 0 HB VAL A 445 -2.151 0.790 -7.486 1.00 0.50 H new ATOM 0 HG11 VAL A 445 -3.189 -0.827 -5.831 1.00 0.50 H new ATOM 0 HG12 VAL A 445 -2.901 0.752 -5.061 1.00 0.50 H new ATOM 0 HG13 VAL A 445 -4.541 0.306 -5.592 1.00 0.50 H new ATOM 0 HG21 VAL A 445 -3.575 -0.958 -8.350 1.00 0.50 H new ATOM 0 HG22 VAL A 445 -5.010 0.069 -8.116 1.00 0.50 H new ATOM 0 HG23 VAL A 445 -3.751 0.550 -9.279 1.00 0.50 H new ATOM 266 N ASP A 446 -2.426 4.248 -7.802 1.00 0.41 N ATOM 267 CA ASP A 446 -2.103 5.366 -8.642 1.00 0.41 C ATOM 268 C ASP A 446 -0.623 5.373 -8.960 1.00 0.41 C ATOM 269 O ASP A 446 0.204 5.702 -8.107 1.00 0.41 O ATOM 270 CB ASP A 446 -2.590 6.623 -7.863 1.00 0.41 C ATOM 271 CG ASP A 446 -4.070 6.885 -8.174 1.00 0.41 C ATOM 272 OD1 ASP A 446 -4.374 7.232 -9.345 1.00 0.41 O ATOM 273 OD2 ASP A 446 -4.908 6.743 -7.243 1.00 0.41 O ATOM 0 H ASP A 446 -2.027 4.322 -6.866 1.00 0.41 H new ATOM 0 HA ASP A 446 -2.592 5.329 -9.615 1.00 0.41 H new ATOM 0 HB2 ASP A 446 -2.455 6.474 -6.792 1.00 0.41 H new ATOM 0 HB3 ASP A 446 -1.991 7.490 -8.142 1.00 0.41 H new ATOM 337 N PHE A 451 -0.003 7.423 -5.364 1.00 0.31 N ATOM 338 CA PHE A 451 -0.551 6.961 -4.097 1.00 0.31 C ATOM 339 C PHE A 451 -1.005 5.544 -4.193 1.00 0.31 C ATOM 340 O PHE A 451 -1.274 4.970 -5.247 1.00 0.31 O ATOM 341 CB PHE A 451 -1.726 7.787 -3.405 1.00 0.31 C ATOM 342 CG PHE A 451 -1.963 9.128 -4.015 1.00 0.31 C ATOM 343 CD1 PHE A 451 -2.708 9.201 -5.200 1.00 0.31 C ATOM 344 CD2 PHE A 451 -1.363 10.285 -3.496 1.00 0.31 C ATOM 345 CE1 PHE A 451 -2.745 10.393 -5.934 1.00 0.31 C ATOM 346 CE2 PHE A 451 -1.411 11.483 -4.218 1.00 0.31 C ATOM 347 CZ PHE A 451 -2.077 11.529 -5.449 1.00 0.31 C ATOM 0 HA PHE A 451 0.312 7.110 -3.448 1.00 0.31 H new ATOM 0 HB2 PHE A 451 -2.647 7.206 -3.460 1.00 0.31 H new ATOM 0 HB3 PHE A 451 -1.493 7.916 -2.348 1.00 0.31 H new ATOM 0 HD1 PHE A 451 -3.254 8.337 -5.548 1.00 0.31 H new ATOM 0 HD2 PHE A 451 -0.864 10.251 -2.539 1.00 0.31 H new ATOM 0 HE1 PHE A 451 -3.285 10.438 -6.868 1.00 0.31 H new ATOM 0 HE2 PHE A 451 -0.935 12.370 -3.827 1.00 0.31 H new ATOM 0 HZ PHE A 451 -2.077 12.441 -6.027 1.00 0.31 H new ATOM 357 N VAL A 452 -1.217 4.990 -2.981 1.00 0.26 N ATOM 358 CA VAL A 452 -1.922 3.762 -2.774 1.00 0.26 C ATOM 359 C VAL A 452 -3.176 4.225 -2.049 1.00 0.26 C ATOM 360 O VAL A 452 -3.146 4.528 -0.847 1.00 0.26 O ATOM 361 CB VAL A 452 -1.058 2.880 -1.874 1.00 0.26 C ATOM 362 CG1 VAL A 452 -1.789 1.686 -1.260 1.00 0.26 C ATOM 363 CG2 VAL A 452 0.065 2.300 -2.727 1.00 0.26 C ATOM 0 H VAL A 452 -0.884 5.414 -2.115 1.00 0.26 H new ATOM 0 HA VAL A 452 -2.150 3.190 -3.674 1.00 0.26 H new ATOM 0 HB VAL A 452 -0.722 3.519 -1.057 1.00 0.26 H new ATOM 0 HG11 VAL A 452 -1.098 1.117 -0.637 1.00 0.26 H new ATOM 0 HG12 VAL A 452 -2.619 2.042 -0.650 1.00 0.26 H new ATOM 0 HG13 VAL A 452 -2.172 1.046 -2.055 1.00 0.26 H new ATOM 0 HG21 VAL A 452 0.700 1.664 -2.110 1.00 0.26 H new ATOM 0 HG22 VAL A 452 -0.362 1.709 -3.537 1.00 0.26 H new ATOM 0 HG23 VAL A 452 0.661 3.112 -3.145 1.00 0.26 H new ATOM 373 N ARG A 453 -4.352 4.217 -2.759 1.00 0.58 N ATOM 374 CA ARG A 453 -5.649 4.446 -2.100 1.00 0.58 C ATOM 375 C ARG A 453 -6.238 3.090 -1.716 1.00 0.58 C ATOM 376 O ARG A 453 -6.548 2.224 -2.553 1.00 0.58 O ATOM 377 CB ARG A 453 -6.661 5.274 -2.923 1.00 0.58 C ATOM 378 CG ARG A 453 -7.842 5.816 -2.090 1.00 0.58 C ATOM 379 CD ARG A 453 -8.845 6.649 -2.908 1.00 0.58 C ATOM 380 NE ARG A 453 -8.143 7.813 -3.561 1.00 0.58 N ATOM 381 CZ ARG A 453 -7.876 9.001 -2.931 1.00 0.58 C ATOM 382 NH1 ARG A 453 -8.289 9.233 -1.651 1.00 0.58 N ATOM 383 NH2 ARG A 453 -7.181 9.969 -3.600 1.00 0.58 N ATOM 0 H ARG A 453 -4.411 4.057 -3.765 1.00 0.58 H new ATOM 0 HA ARG A 453 -5.456 5.059 -1.220 1.00 0.58 H new ATOM 0 HB2 ARG A 453 -6.140 6.112 -3.386 1.00 0.58 H new ATOM 0 HB3 ARG A 453 -7.051 4.655 -3.731 1.00 0.58 H new ATOM 0 HG2 ARG A 453 -8.367 4.978 -1.632 1.00 0.58 H new ATOM 0 HG3 ARG A 453 -7.451 6.429 -1.278 1.00 0.58 H new ATOM 0 HD2 ARG A 453 -9.313 6.024 -3.668 1.00 0.58 H new ATOM 0 HD3 ARG A 453 -9.642 7.013 -2.259 1.00 0.58 H new ATOM 0 HE ARG A 453 -7.848 7.710 -4.532 1.00 0.58 H new ATOM 0 HH11 ARG A 453 -8.807 8.515 -1.144 1.00 0.58 H new ATOM 0 HH12 ARG A 453 -8.080 10.124 -1.201 1.00 0.58 H new ATOM 0 HH21 ARG A 453 -6.868 9.803 -4.556 1.00 0.58 H new ATOM 0 HH22 ARG A 453 -6.976 10.857 -3.143 1.00 0.58 H new ATOM 397 N LEU A 454 -6.344 2.871 -0.376 1.00 0.66 N ATOM 398 CA LEU A 454 -6.661 1.637 0.239 1.00 0.66 C ATOM 399 C LEU A 454 -8.035 1.799 0.886 1.00 0.66 C ATOM 400 O LEU A 454 -8.447 2.881 1.292 1.00 0.66 O ATOM 401 CB LEU A 454 -5.383 1.440 1.143 1.00 0.66 C ATOM 402 CG LEU A 454 -4.985 0.015 1.602 1.00 0.66 C ATOM 403 CD1 LEU A 454 -5.528 -0.954 0.571 1.00 0.66 C ATOM 404 CD2 LEU A 454 -3.456 -0.210 1.654 1.00 0.66 C ATOM 0 H LEU A 454 -6.195 3.617 0.304 1.00 0.66 H new ATOM 0 HA LEU A 454 -6.803 0.734 -0.355 1.00 0.66 H new ATOM 0 HB2 LEU A 454 -4.534 1.858 0.603 1.00 0.66 H new ATOM 0 HB3 LEU A 454 -5.520 2.045 2.039 1.00 0.66 H new ATOM 0 HG LEU A 454 -5.383 -0.129 2.607 1.00 0.66 H new ATOM 0 HD11 LEU A 454 -5.269 -1.973 0.857 1.00 0.66 H new ATOM 0 HD12 LEU A 454 -6.612 -0.857 0.516 1.00 0.66 H new ATOM 0 HD13 LEU A 454 -5.094 -0.729 -0.403 1.00 0.66 H new ATOM 0 HD21 LEU A 454 -3.249 -1.228 1.983 1.00 0.66 H new ATOM 0 HD22 LEU A 454 -3.032 -0.056 0.662 1.00 0.66 H new ATOM 0 HD23 LEU A 454 -3.008 0.496 2.354 1.00 0.66 H new ATOM 416 N ARG A 455 -8.845 0.724 0.927 1.00 0.51 N ATOM 417 CA ARG A 455 -10.192 0.751 1.462 1.00 0.51 C ATOM 418 C ARG A 455 -10.441 -0.624 1.996 1.00 0.51 C ATOM 419 O ARG A 455 -9.699 -1.547 1.672 1.00 0.51 O ATOM 420 CB ARG A 455 -11.321 1.054 0.427 1.00 0.51 C ATOM 421 CG ARG A 455 -11.336 2.486 -0.138 1.00 0.51 C ATOM 422 CD ARG A 455 -12.749 3.031 -0.424 1.00 0.51 C ATOM 423 NE ARG A 455 -13.489 2.123 -1.373 1.00 0.51 N ATOM 424 CZ ARG A 455 -14.579 1.357 -1.048 1.00 0.51 C ATOM 425 NH1 ARG A 455 -15.103 1.368 0.212 1.00 0.51 N ATOM 426 NH2 ARG A 455 -15.141 0.558 -2.002 1.00 0.51 N ATOM 0 H ARG A 455 -8.565 -0.194 0.581 1.00 0.51 H new ATOM 0 HA ARG A 455 -10.235 1.558 2.194 1.00 0.51 H new ATOM 0 HB2 ARG A 455 -11.225 0.355 -0.404 1.00 0.51 H new ATOM 0 HB3 ARG A 455 -12.284 0.858 0.898 1.00 0.51 H new ATOM 0 HG2 ARG A 455 -10.838 3.150 0.568 1.00 0.51 H new ATOM 0 HG3 ARG A 455 -10.755 2.508 -1.060 1.00 0.51 H new ATOM 0 HD2 ARG A 455 -13.305 3.121 0.509 1.00 0.51 H new ATOM 0 HD3 ARG A 455 -12.679 4.032 -0.851 1.00 0.51 H new ATOM 0 HE ARG A 455 -13.152 2.074 -2.334 1.00 0.51 H new ATOM 0 HH11 ARG A 455 -14.683 1.954 0.934 1.00 0.51 H new ATOM 0 HH12 ARG A 455 -15.914 0.790 0.432 1.00 0.51 H new ATOM 0 HH21 ARG A 455 -14.750 0.536 -2.944 1.00 0.51 H new ATOM 0 HH22 ARG A 455 -15.952 -0.017 -1.773 1.00 0.51 H new ATOM 440 N ASN A 456 -11.519 -0.793 2.793 1.00 0.49 N ATOM 441 CA ASN A 456 -11.980 -2.165 3.151 1.00 0.49 C ATOM 442 C ASN A 456 -13.090 -2.572 2.157 1.00 0.49 C ATOM 443 O ASN A 456 -14.145 -1.951 2.161 1.00 0.49 O ATOM 444 CB ASN A 456 -12.388 -2.189 4.644 1.00 0.49 C ATOM 445 CG ASN A 456 -12.972 -3.409 5.371 1.00 0.49 C ATOM 446 OD1 ASN A 456 -13.551 -4.344 4.857 1.00 0.49 O ATOM 447 ND2 ASN A 456 -12.769 -3.398 6.712 1.00 0.49 N ATOM 0 H ASN A 456 -12.072 -0.033 3.191 1.00 0.49 H new ATOM 0 HA ASN A 456 -11.194 -2.914 3.057 1.00 0.49 H new ATOM 0 HB2 ASN A 456 -11.498 -1.903 5.204 1.00 0.49 H new ATOM 0 HB3 ASN A 456 -13.115 -1.387 4.770 1.00 0.49 H new ATOM 0 HD21 ASN A 456 -13.102 -4.173 7.285 1.00 0.49 H new ATOM 0 HD22 ASN A 456 -12.283 -2.614 7.148 1.00 0.49 H new ATOM 454 N LYS A 457 -12.919 -3.561 1.217 1.00 0.45 N ATOM 455 CA LYS A 457 -13.951 -3.835 0.192 1.00 0.45 C ATOM 456 C LYS A 457 -15.091 -4.719 0.656 1.00 0.45 C ATOM 457 O LYS A 457 -16.249 -4.486 0.309 1.00 0.45 O ATOM 458 CB LYS A 457 -13.290 -4.341 -1.124 1.00 0.45 C ATOM 459 CG LYS A 457 -14.192 -4.734 -2.311 1.00 0.45 C ATOM 460 CD LYS A 457 -14.467 -6.246 -2.420 1.00 0.45 C ATOM 461 CE LYS A 457 -15.337 -6.627 -3.628 1.00 0.45 C ATOM 462 NZ LYS A 457 -16.694 -6.039 -3.522 1.00 0.45 N ATOM 0 H LYS A 457 -12.095 -4.159 1.159 1.00 0.45 H new ATOM 0 HA LYS A 457 -14.438 -2.881 -0.011 1.00 0.45 H new ATOM 0 HB2 LYS A 457 -12.610 -3.563 -1.471 1.00 0.45 H new ATOM 0 HB3 LYS A 457 -12.680 -5.209 -0.873 1.00 0.45 H new ATOM 0 HG2 LYS A 457 -15.143 -4.209 -2.220 1.00 0.45 H new ATOM 0 HG3 LYS A 457 -13.726 -4.393 -3.236 1.00 0.45 H new ATOM 0 HD2 LYS A 457 -13.517 -6.776 -2.486 1.00 0.45 H new ATOM 0 HD3 LYS A 457 -14.958 -6.584 -1.508 1.00 0.45 H new ATOM 0 HE2 LYS A 457 -14.860 -6.283 -4.545 1.00 0.45 H new ATOM 0 HE3 LYS A 457 -15.413 -7.712 -3.696 1.00 0.45 H new ATOM 0 HZ1 LYS A 457 -17.283 -6.382 -4.307 1.00 0.45 H new ATOM 0 HZ2 LYS A 457 -17.124 -6.320 -2.618 1.00 0.45 H new ATOM 0 HZ3 LYS A 457 -16.628 -5.002 -3.567 1.00 0.45 H new ATOM 476 N SER A 458 -14.787 -5.668 1.580 1.00 0.34 N ATOM 477 CA SER A 458 -15.834 -6.422 2.321 1.00 0.34 C ATOM 478 C SER A 458 -16.232 -5.619 3.572 1.00 0.34 C ATOM 479 O SER A 458 -15.841 -4.474 3.741 1.00 0.34 O ATOM 480 CB SER A 458 -15.518 -7.885 2.734 1.00 0.34 C ATOM 481 OG SER A 458 -16.697 -8.613 3.097 1.00 0.34 O ATOM 0 H SER A 458 -13.833 -5.928 1.829 1.00 0.34 H new ATOM 0 HA SER A 458 -16.642 -6.530 1.597 1.00 0.34 H new ATOM 0 HB2 SER A 458 -15.019 -8.394 1.909 1.00 0.34 H new ATOM 0 HB3 SER A 458 -14.823 -7.881 3.573 1.00 0.34 H new ATOM 0 HG SER A 458 -16.452 -9.528 3.348 1.00 0.34 H new ATOM 487 N ASN A 459 -17.126 -6.119 4.443 1.00 0.49 N ATOM 488 CA ASN A 459 -17.628 -5.360 5.592 1.00 0.49 C ATOM 489 C ASN A 459 -17.214 -5.910 6.955 1.00 0.49 C ATOM 490 O ASN A 459 -18.018 -6.005 7.880 1.00 0.49 O ATOM 491 CB ASN A 459 -19.141 -5.018 5.505 1.00 0.49 C ATOM 492 CG ASN A 459 -20.055 -6.207 5.319 1.00 0.49 C ATOM 493 OD1 ASN A 459 -19.659 -7.340 5.054 1.00 0.49 O ATOM 494 ND2 ASN A 459 -21.363 -5.869 5.368 1.00 0.49 N ATOM 0 H ASN A 459 -17.517 -7.058 4.367 1.00 0.49 H new ATOM 0 HA ASN A 459 -17.106 -4.406 5.516 1.00 0.49 H new ATOM 0 HB2 ASN A 459 -19.432 -4.494 6.415 1.00 0.49 H new ATOM 0 HB3 ASN A 459 -19.295 -4.327 4.676 1.00 0.49 H new ATOM 0 HD21 ASN A 459 -22.079 -6.571 5.180 1.00 0.49 H new ATOM 0 HD22 ASN A 459 -21.634 -4.912 5.593 1.00 0.49 H new ATOM 501 N GLU A 460 -15.914 -6.230 7.133 1.00 0.74 N ATOM 502 CA GLU A 460 -15.351 -6.703 8.385 1.00 0.74 C ATOM 503 C GLU A 460 -14.300 -5.711 8.852 1.00 0.74 C ATOM 504 O GLU A 460 -13.225 -5.595 8.264 1.00 0.74 O ATOM 505 CB GLU A 460 -14.763 -8.130 8.268 1.00 0.74 C ATOM 506 CG GLU A 460 -15.797 -9.183 7.817 1.00 0.74 C ATOM 507 CD GLU A 460 -15.205 -10.595 7.813 1.00 0.74 C ATOM 508 OE1 GLU A 460 -14.011 -10.761 8.178 1.00 0.74 O ATOM 509 OE2 GLU A 460 -15.956 -11.534 7.437 1.00 0.74 O ATOM 0 H GLU A 460 -15.224 -6.160 6.385 1.00 0.74 H new ATOM 0 HA GLU A 460 -16.151 -6.770 9.122 1.00 0.74 H new ATOM 0 HB2 GLU A 460 -13.935 -8.117 7.559 1.00 0.74 H new ATOM 0 HB3 GLU A 460 -14.351 -8.426 9.233 1.00 0.74 H new ATOM 0 HG2 GLU A 460 -16.660 -9.153 8.482 1.00 0.74 H new ATOM 0 HG3 GLU A 460 -16.155 -8.936 6.818 1.00 0.74 H new ATOM 516 N ASP A 461 -14.579 -4.955 9.957 1.00 0.65 N ATOM 517 CA ASP A 461 -13.737 -3.946 10.639 1.00 0.65 C ATOM 518 C ASP A 461 -12.357 -4.463 11.082 1.00 0.65 C ATOM 519 O ASP A 461 -12.217 -5.200 12.048 1.00 0.65 O ATOM 520 CB ASP A 461 -14.414 -3.259 11.875 1.00 0.65 C ATOM 521 CG ASP A 461 -15.888 -2.917 11.614 1.00 0.65 C ATOM 522 OD1 ASP A 461 -16.733 -3.852 11.636 1.00 0.65 O ATOM 523 OD2 ASP A 461 -16.191 -1.710 11.415 1.00 0.65 O ATOM 0 H ASP A 461 -15.479 -5.052 10.427 1.00 0.65 H new ATOM 0 HA ASP A 461 -13.604 -3.205 9.851 1.00 0.65 H new ATOM 0 HB2 ASP A 461 -14.344 -3.920 12.739 1.00 0.65 H new ATOM 0 HB3 ASP A 461 -13.870 -2.348 12.125 1.00 0.65 H new ATOM 528 N GLN A 462 -11.316 -4.108 10.304 1.00 0.44 N ATOM 529 CA GLN A 462 -9.938 -4.613 10.384 1.00 0.44 C ATOM 530 C GLN A 462 -8.980 -3.747 11.234 1.00 0.44 C ATOM 531 O GLN A 462 -9.033 -2.531 11.108 1.00 0.44 O ATOM 532 CB GLN A 462 -9.565 -4.880 8.897 1.00 0.44 C ATOM 533 CG GLN A 462 -8.290 -5.699 8.588 1.00 0.44 C ATOM 534 CD GLN A 462 -7.019 -4.852 8.466 1.00 0.44 C ATOM 535 OE1 GLN A 462 -7.209 -3.516 8.593 1.00 0.44 O flip ATOM 536 NE2 GLN A 462 -5.928 -5.386 8.250 1.00 0.44 N flip ATOM 0 H GLN A 462 -11.425 -3.420 9.559 1.00 0.44 H new ATOM 0 HA GLN A 462 -9.840 -5.532 10.962 1.00 0.44 H new ATOM 0 HB2 GLN A 462 -10.408 -5.391 8.431 1.00 0.44 H new ATOM 0 HB3 GLN A 462 -9.466 -3.914 8.402 1.00 0.44 H new ATOM 0 HG2 GLN A 462 -8.147 -6.439 9.375 1.00 0.44 H new ATOM 0 HG3 GLN A 462 -8.439 -6.247 7.658 1.00 0.44 H new ATOM 0 HE21 GLN A 462 -5.864 -6.401 8.167 1.00 0.44 H new ATOM 0 HE22 GLN A 462 -5.090 -4.813 8.155 1.00 0.44 H new ATOM 545 N SER A 463 -8.061 -4.289 12.107 1.00 0.49 N ATOM 546 CA SER A 463 -7.141 -3.465 12.929 1.00 0.49 C ATOM 547 C SER A 463 -5.934 -2.958 12.148 1.00 0.49 C ATOM 548 O SER A 463 -4.919 -3.646 12.038 1.00 0.49 O ATOM 549 CB SER A 463 -6.637 -4.144 14.261 1.00 0.49 C ATOM 550 OG SER A 463 -5.915 -3.290 15.169 1.00 0.49 O ATOM 0 H SER A 463 -7.950 -5.293 12.248 1.00 0.49 H new ATOM 0 HA SER A 463 -7.773 -2.624 13.215 1.00 0.49 H new ATOM 0 HB2 SER A 463 -7.500 -4.553 14.786 1.00 0.49 H new ATOM 0 HB3 SER A 463 -5.996 -4.985 13.997 1.00 0.49 H new ATOM 0 HG SER A 463 -5.108 -3.751 15.480 1.00 0.49 H new ATOM 556 N MET A 464 -5.985 -1.681 11.639 1.00 0.50 N ATOM 557 CA MET A 464 -4.811 -1.052 10.990 1.00 0.50 C ATOM 558 C MET A 464 -3.851 -0.391 11.954 1.00 0.50 C ATOM 559 O MET A 464 -2.955 0.341 11.548 1.00 0.50 O ATOM 560 CB MET A 464 -5.001 -0.073 9.798 1.00 0.50 C ATOM 561 CG MET A 464 -6.121 -0.448 8.850 1.00 0.50 C ATOM 562 SD MET A 464 -6.438 0.713 7.495 1.00 0.50 S ATOM 563 CE MET A 464 -4.977 1.787 7.428 1.00 0.50 C ATOM 0 H MET A 464 -6.815 -1.089 11.671 1.00 0.50 H new ATOM 0 HA MET A 464 -4.412 -1.967 10.551 1.00 0.50 H new ATOM 0 HB2 MET A 464 -5.194 0.925 10.191 1.00 0.50 H new ATOM 0 HB3 MET A 464 -4.069 -0.020 9.236 1.00 0.50 H new ATOM 0 HG2 MET A 464 -5.895 -1.424 8.420 1.00 0.50 H new ATOM 0 HG3 MET A 464 -7.038 -0.559 9.429 1.00 0.50 H new ATOM 0 HE1 MET A 464 -4.861 2.181 6.418 1.00 0.50 H new ATOM 0 HE2 MET A 464 -5.100 2.613 8.128 1.00 0.50 H new ATOM 0 HE3 MET A 464 -4.091 1.213 7.697 1.00 0.50 H new ATOM 573 N GLY A 465 -3.956 -0.712 13.263 1.00 0.39 N ATOM 574 CA GLY A 465 -2.947 -0.406 14.251 1.00 0.39 C ATOM 575 C GLY A 465 -1.796 -1.379 14.202 1.00 0.39 C ATOM 576 O GLY A 465 -0.664 -1.044 14.512 1.00 0.39 O ATOM 0 H GLY A 465 -4.765 -1.199 13.649 1.00 0.39 H new ATOM 0 HA2 GLY A 465 -2.574 0.605 14.088 1.00 0.39 H new ATOM 0 HA3 GLY A 465 -3.395 -0.424 15.245 1.00 0.39 H new ATOM 580 N ASN A 466 -2.043 -2.635 13.789 1.00 0.33 N ATOM 581 CA ASN A 466 -1.027 -3.679 13.759 1.00 0.33 C ATOM 582 C ASN A 466 -0.451 -3.936 12.361 1.00 0.33 C ATOM 583 O ASN A 466 0.254 -4.921 12.148 1.00 0.33 O ATOM 584 CB ASN A 466 -1.537 -4.950 14.487 1.00 0.33 C ATOM 585 CG ASN A 466 -2.248 -4.534 15.786 1.00 0.33 C ATOM 586 OD1 ASN A 466 -3.475 -4.354 15.748 1.00 0.33 O ATOM 587 ND2 ASN A 466 -1.491 -4.327 16.898 1.00 0.33 N ATOM 0 H ASN A 466 -2.960 -2.946 13.467 1.00 0.33 H new ATOM 0 HA ASN A 466 -0.163 -3.320 14.319 1.00 0.33 H new ATOM 0 HB2 ASN A 466 -2.222 -5.503 13.844 1.00 0.33 H new ATOM 0 HB3 ASN A 466 -0.703 -5.615 14.711 1.00 0.33 H new ATOM 0 HD21 ASN A 466 -1.930 -4.006 17.761 1.00 0.33 H new ATOM 0 HD22 ASN A 466 -0.485 -4.492 16.868 1.00 0.33 H new ATOM 594 N TRP A 467 -0.694 -3.015 11.374 1.00 0.32 N ATOM 595 CA TRP A 467 -0.190 -3.063 9.994 1.00 0.32 C ATOM 596 C TRP A 467 1.299 -2.835 9.820 1.00 0.32 C ATOM 597 O TRP A 467 1.998 -2.190 10.610 1.00 0.32 O ATOM 598 CB TRP A 467 -0.906 -1.975 9.128 1.00 0.32 C ATOM 599 CG TRP A 467 -2.242 -2.376 8.621 1.00 0.32 C ATOM 600 CD1 TRP A 467 -3.011 -3.405 9.064 1.00 0.32 C ATOM 601 CD2 TRP A 467 -2.916 -1.806 7.482 1.00 0.32 C ATOM 602 NE1 TRP A 467 -4.117 -3.525 8.290 1.00 0.32 N ATOM 603 CE2 TRP A 467 -4.074 -2.576 7.296 1.00 0.32 C ATOM 604 CE3 TRP A 467 -2.594 -0.757 6.602 1.00 0.32 C ATOM 605 CZ2 TRP A 467 -4.927 -2.324 6.243 1.00 0.32 C ATOM 606 CZ3 TRP A 467 -3.461 -0.480 5.525 1.00 0.32 C ATOM 607 CH2 TRP A 467 -4.581 -1.304 5.356 1.00 0.32 C ATOM 0 H TRP A 467 -1.272 -2.192 11.544 1.00 0.32 H new ATOM 0 HA TRP A 467 -0.401 -4.085 9.679 1.00 0.32 H new ATOM 0 HB2 TRP A 467 -1.014 -1.068 9.723 1.00 0.32 H new ATOM 0 HB3 TRP A 467 -0.269 -1.726 8.280 1.00 0.32 H new ATOM 0 HD1 TRP A 467 -2.775 -4.035 9.909 1.00 0.32 H new ATOM 0 HE1 TRP A 467 -4.862 -4.209 8.423 1.00 0.32 H new ATOM 0 HE3 TRP A 467 -1.697 -0.173 6.749 1.00 0.32 H new ATOM 0 HZ2 TRP A 467 -5.833 -2.897 6.109 1.00 0.32 H new ATOM 0 HZ3 TRP A 467 -3.268 0.342 4.851 1.00 0.32 H new ATOM 0 HH2 TRP A 467 -5.210 -1.141 4.493 1.00 0.32 H new ATOM 618 N GLN A 468 1.762 -3.353 8.665 1.00 0.53 N ATOM 619 CA GLN A 468 3.101 -3.116 8.141 1.00 0.53 C ATOM 620 C GLN A 468 2.910 -3.131 6.640 1.00 0.53 C ATOM 621 O GLN A 468 2.460 -4.118 6.065 1.00 0.53 O ATOM 622 CB GLN A 468 4.300 -4.038 8.580 1.00 0.53 C ATOM 623 CG GLN A 468 4.361 -4.457 10.064 1.00 0.53 C ATOM 624 CD GLN A 468 5.670 -5.201 10.363 1.00 0.53 C ATOM 625 OE1 GLN A 468 6.709 -4.964 9.744 1.00 0.53 O ATOM 626 NE2 GLN A 468 5.616 -6.118 11.358 1.00 0.53 N ATOM 0 H GLN A 468 1.198 -3.957 8.068 1.00 0.53 H new ATOM 0 HA GLN A 468 3.451 -2.181 8.577 1.00 0.53 H new ATOM 0 HB2 GLN A 468 4.269 -4.944 7.974 1.00 0.53 H new ATOM 0 HB3 GLN A 468 5.229 -3.523 8.336 1.00 0.53 H new ATOM 0 HG2 GLN A 468 4.285 -3.575 10.700 1.00 0.53 H new ATOM 0 HG3 GLN A 468 3.511 -5.096 10.302 1.00 0.53 H new ATOM 0 HE21 GLN A 468 4.738 -6.287 11.848 1.00 0.53 H new ATOM 0 HE22 GLN A 468 6.454 -6.639 11.617 1.00 0.53 H new ATOM 635 N ILE A 469 3.262 -2.011 5.973 1.00 0.85 N ATOM 636 CA ILE A 469 3.237 -1.730 4.541 1.00 0.85 C ATOM 637 C ILE A 469 4.640 -2.120 4.071 1.00 0.85 C ATOM 638 O ILE A 469 5.610 -1.576 4.585 1.00 0.85 O ATOM 639 CB ILE A 469 3.015 -0.215 4.379 1.00 0.85 C ATOM 640 CG1 ILE A 469 1.646 0.257 4.909 1.00 0.85 C ATOM 641 CG2 ILE A 469 3.211 0.290 2.938 1.00 0.85 C ATOM 642 CD1 ILE A 469 0.495 -0.218 4.044 1.00 0.85 C ATOM 0 H ILE A 469 3.606 -1.202 6.490 1.00 0.85 H new ATOM 0 HA ILE A 469 2.462 -2.256 3.983 1.00 0.85 H new ATOM 0 HB ILE A 469 3.796 0.228 4.996 1.00 0.85 H new ATOM 0 HG12 ILE A 469 1.508 -0.109 5.926 1.00 0.85 H new ATOM 0 HG13 ILE A 469 1.634 1.346 4.958 1.00 0.85 H new ATOM 0 HG21 ILE A 469 3.038 1.366 2.903 1.00 0.85 H new ATOM 0 HG22 ILE A 469 4.229 0.075 2.613 1.00 0.85 H new ATOM 0 HG23 ILE A 469 2.505 -0.213 2.277 1.00 0.85 H new ATOM 0 HD11 ILE A 469 -0.446 0.141 4.461 1.00 0.85 H new ATOM 0 HD12 ILE A 469 0.616 0.170 3.033 1.00 0.85 H new ATOM 0 HD13 ILE A 469 0.487 -1.308 4.016 1.00 0.85 H new ATOM 654 N LYS A 470 4.830 -3.073 3.129 1.00 1.07 N ATOM 655 CA LYS A 470 6.145 -3.531 2.684 1.00 1.07 C ATOM 656 C LYS A 470 6.280 -3.034 1.253 1.00 1.07 C ATOM 657 O LYS A 470 5.320 -3.099 0.476 1.00 1.07 O ATOM 658 CB LYS A 470 6.285 -5.096 2.638 1.00 1.07 C ATOM 659 CG LYS A 470 5.489 -5.876 3.699 1.00 1.07 C ATOM 660 CD LYS A 470 5.895 -5.559 5.152 1.00 1.07 C ATOM 661 CE LYS A 470 7.040 -6.428 5.696 1.00 1.07 C ATOM 662 NZ LYS A 470 6.639 -7.849 5.819 1.00 1.07 N ATOM 0 H LYS A 470 4.058 -3.544 2.658 1.00 1.07 H new ATOM 0 HA LYS A 470 6.898 -3.160 3.379 1.00 1.07 H new ATOM 0 HB2 LYS A 470 5.972 -5.440 1.652 1.00 1.07 H new ATOM 0 HB3 LYS A 470 7.340 -5.350 2.744 1.00 1.07 H new ATOM 0 HG2 LYS A 470 4.428 -5.658 3.574 1.00 1.07 H new ATOM 0 HG3 LYS A 470 5.618 -6.944 3.522 1.00 1.07 H new ATOM 0 HD2 LYS A 470 6.190 -4.511 5.214 1.00 1.07 H new ATOM 0 HD3 LYS A 470 5.024 -5.683 5.795 1.00 1.07 H new ATOM 0 HE2 LYS A 470 7.903 -6.349 5.034 1.00 1.07 H new ATOM 0 HE3 LYS A 470 7.351 -6.052 6.671 1.00 1.07 H new ATOM 0 HZ1 LYS A 470 6.772 -8.163 6.801 1.00 1.07 H new ATOM 0 HZ2 LYS A 470 5.638 -7.951 5.555 1.00 1.07 H new ATOM 0 HZ3 LYS A 470 7.225 -8.431 5.187 1.00 1.07 H new ATOM 676 N ARG A 471 7.476 -2.569 0.846 1.00 1.08 N ATOM 677 CA ARG A 471 7.777 -2.144 -0.504 1.00 1.08 C ATOM 678 C ARG A 471 9.021 -2.870 -0.933 1.00 1.08 C ATOM 679 O ARG A 471 10.039 -2.844 -0.236 1.00 1.08 O ATOM 680 CB ARG A 471 8.025 -0.622 -0.528 1.00 1.08 C ATOM 681 CG ARG A 471 6.702 0.117 -0.722 1.00 1.08 C ATOM 682 CD ARG A 471 6.276 0.092 -2.199 1.00 1.08 C ATOM 683 NE ARG A 471 7.082 1.122 -2.946 1.00 1.08 N ATOM 684 CZ ARG A 471 7.888 0.851 -4.020 1.00 1.08 C ATOM 685 NH1 ARG A 471 7.952 -0.399 -4.561 1.00 1.08 N ATOM 686 NH2 ARG A 471 8.653 1.857 -4.540 1.00 1.08 N ATOM 0 H ARG A 471 8.272 -2.482 1.478 1.00 1.08 H new ATOM 0 HA ARG A 471 6.948 -2.367 -1.175 1.00 1.08 H new ATOM 0 HB2 ARG A 471 8.495 -0.306 0.404 1.00 1.08 H new ATOM 0 HB3 ARG A 471 8.714 -0.370 -1.334 1.00 1.08 H new ATOM 0 HG2 ARG A 471 5.929 -0.344 -0.108 1.00 1.08 H new ATOM 0 HG3 ARG A 471 6.803 1.149 -0.385 1.00 1.08 H new ATOM 0 HD2 ARG A 471 6.440 -0.898 -2.624 1.00 1.08 H new ATOM 0 HD3 ARG A 471 5.211 0.306 -2.290 1.00 1.08 H new ATOM 0 HE ARG A 471 7.024 2.090 -2.630 1.00 1.08 H new ATOM 0 HH11 ARG A 471 7.393 -1.155 -4.166 1.00 1.08 H new ATOM 0 HH12 ARG A 471 8.559 -0.578 -5.361 1.00 1.08 H new ATOM 0 HH21 ARG A 471 8.617 2.790 -4.129 1.00 1.08 H new ATOM 0 HH22 ARG A 471 9.260 1.675 -5.340 1.00 1.08 H new ATOM 700 N GLN A 472 8.971 -3.548 -2.110 1.00 0.85 N ATOM 701 CA GLN A 472 10.073 -4.351 -2.599 1.00 0.85 C ATOM 702 C GLN A 472 10.432 -3.796 -3.971 1.00 0.85 C ATOM 703 O GLN A 472 9.585 -3.699 -4.865 1.00 0.85 O ATOM 704 CB GLN A 472 9.596 -5.834 -2.675 1.00 0.85 C ATOM 705 CG GLN A 472 10.671 -6.955 -2.598 1.00 0.85 C ATOM 706 CD GLN A 472 11.603 -7.085 -3.812 1.00 0.85 C ATOM 707 OE1 GLN A 472 11.137 -7.267 -4.939 1.00 0.85 O ATOM 708 NE2 GLN A 472 12.941 -7.030 -3.563 1.00 0.85 N ATOM 0 H GLN A 472 8.160 -3.540 -2.728 1.00 0.85 H new ATOM 0 HA GLN A 472 10.950 -4.317 -1.953 1.00 0.85 H new ATOM 0 HB2 GLN A 472 8.885 -5.997 -1.865 1.00 0.85 H new ATOM 0 HB3 GLN A 472 9.049 -5.961 -3.609 1.00 0.85 H new ATOM 0 HG2 GLN A 472 11.283 -6.782 -1.713 1.00 0.85 H new ATOM 0 HG3 GLN A 472 10.162 -7.908 -2.453 1.00 0.85 H new ATOM 0 HE21 GLN A 472 13.277 -6.877 -2.612 1.00 0.85 H new ATOM 0 HE22 GLN A 472 13.607 -7.142 -4.327 1.00 0.85 H new ATOM 762 N PRO A 477 16.704 -1.018 -3.126 1.00 0.88 N ATOM 763 CA PRO A 477 16.401 -0.892 -1.687 1.00 0.88 C ATOM 764 C PRO A 477 15.079 -1.532 -1.194 1.00 0.88 C ATOM 765 O PRO A 477 14.003 -1.257 -1.736 1.00 0.88 O ATOM 766 CB PRO A 477 16.446 0.632 -1.431 1.00 0.88 C ATOM 767 CG PRO A 477 17.330 1.189 -2.549 1.00 0.88 C ATOM 768 CD PRO A 477 16.977 0.287 -3.726 1.00 0.88 C ATOM 0 HA PRO A 477 17.128 -1.464 -1.110 1.00 0.88 H new ATOM 0 HB2 PRO A 477 15.448 1.068 -1.462 1.00 0.88 H new ATOM 0 HB3 PRO A 477 16.862 0.856 -0.449 1.00 0.88 H new ATOM 0 HG2 PRO A 477 17.109 2.236 -2.759 1.00 0.88 H new ATOM 0 HG3 PRO A 477 18.389 1.132 -2.296 1.00 0.88 H new ATOM 0 HD2 PRO A 477 16.109 0.663 -4.267 1.00 0.88 H new ATOM 0 HD3 PRO A 477 17.798 0.230 -4.441 1.00 0.88 H new ATOM 776 N LEU A 478 15.183 -2.378 -0.123 1.00 0.93 N ATOM 777 CA LEU A 478 14.099 -3.091 0.550 1.00 0.93 C ATOM 778 C LEU A 478 13.536 -2.241 1.684 1.00 0.93 C ATOM 779 O LEU A 478 14.177 -2.072 2.723 1.00 0.93 O ATOM 780 CB LEU A 478 14.559 -4.475 1.043 1.00 0.93 C ATOM 781 CG LEU A 478 13.515 -5.619 1.169 1.00 0.93 C ATOM 782 CD1 LEU A 478 12.129 -5.220 1.705 1.00 0.93 C ATOM 783 CD2 LEU A 478 13.383 -6.369 -0.158 1.00 0.93 C ATOM 0 H LEU A 478 16.088 -2.578 0.303 1.00 0.93 H new ATOM 0 HA LEU A 478 13.299 -3.265 -0.169 1.00 0.93 H new ATOM 0 HB2 LEU A 478 15.344 -4.819 0.369 1.00 0.93 H new ATOM 0 HB3 LEU A 478 15.017 -4.339 2.023 1.00 0.93 H new ATOM 0 HG LEU A 478 13.921 -6.271 1.943 1.00 0.93 H new ATOM 0 HD11 LEU A 478 11.488 -6.101 1.748 1.00 0.93 H new ATOM 0 HD12 LEU A 478 12.233 -4.798 2.705 1.00 0.93 H new ATOM 0 HD13 LEU A 478 11.682 -4.478 1.043 1.00 0.93 H new ATOM 0 HD21 LEU A 478 12.648 -7.167 -0.053 1.00 0.93 H new ATOM 0 HD22 LEU A 478 13.059 -5.678 -0.936 1.00 0.93 H new ATOM 0 HD23 LEU A 478 14.347 -6.797 -0.431 1.00 0.93 H new ATOM 795 N LEU A 479 12.317 -1.667 1.493 1.00 0.81 N ATOM 796 CA LEU A 479 11.645 -0.785 2.425 1.00 0.81 C ATOM 797 C LEU A 479 10.441 -1.441 3.108 1.00 0.81 C ATOM 798 O LEU A 479 9.774 -2.328 2.582 1.00 0.81 O ATOM 799 CB LEU A 479 11.223 0.475 1.675 1.00 0.81 C ATOM 800 CG LEU A 479 12.238 1.628 1.871 1.00 0.81 C ATOM 801 CD1 LEU A 479 12.168 2.384 3.216 1.00 0.81 C ATOM 802 CD2 LEU A 479 13.682 1.293 1.474 1.00 0.81 C ATOM 0 H LEU A 479 11.773 -1.827 0.645 1.00 0.81 H new ATOM 0 HA LEU A 479 12.341 -0.539 3.227 1.00 0.81 H new ATOM 0 HB2 LEU A 479 11.128 0.251 0.613 1.00 0.81 H new ATOM 0 HB3 LEU A 479 10.240 0.793 2.023 1.00 0.81 H new ATOM 0 HG LEU A 479 11.874 2.345 1.135 1.00 0.81 H new ATOM 0 HD11 LEU A 479 12.927 3.166 3.233 1.00 0.81 H new ATOM 0 HD12 LEU A 479 11.181 2.833 3.330 1.00 0.81 H new ATOM 0 HD13 LEU A 479 12.347 1.687 4.035 1.00 0.81 H new ATOM 0 HD21 LEU A 479 14.318 2.161 1.647 1.00 0.81 H new ATOM 0 HD22 LEU A 479 14.040 0.456 2.074 1.00 0.81 H new ATOM 0 HD23 LEU A 479 13.716 1.023 0.419 1.00 0.81 H new ATOM 814 N THR A 480 10.080 -0.975 4.317 1.00 0.69 N ATOM 815 CA THR A 480 8.836 -1.325 4.997 1.00 0.69 C ATOM 816 C THR A 480 8.592 -0.106 5.822 1.00 0.69 C ATOM 817 O THR A 480 9.539 0.513 6.312 1.00 0.69 O ATOM 818 CB THR A 480 8.827 -2.596 5.868 1.00 0.69 C ATOM 819 OG1 THR A 480 8.843 -3.751 5.045 1.00 0.69 O ATOM 820 CG2 THR A 480 7.666 -2.701 6.916 1.00 0.69 C ATOM 0 H THR A 480 10.662 -0.332 4.853 1.00 0.69 H new ATOM 0 HA THR A 480 8.071 -1.585 4.265 1.00 0.69 H new ATOM 0 HB THR A 480 9.735 -2.525 6.467 1.00 0.69 H new ATOM 0 HG1 THR A 480 9.102 -3.500 4.134 1.00 0.69 H new ATOM 0 HG21 THR A 480 7.760 -3.634 7.471 1.00 0.69 H new ATOM 0 HG22 THR A 480 7.723 -1.860 7.608 1.00 0.69 H new ATOM 0 HG23 THR A 480 6.706 -2.681 6.399 1.00 0.69 H new ATOM 828 N TYR A 481 7.297 0.223 6.005 1.00 0.73 N ATOM 829 CA TYR A 481 6.740 1.266 6.822 1.00 0.73 C ATOM 830 C TYR A 481 5.764 0.626 7.816 1.00 0.73 C ATOM 831 O TYR A 481 4.892 -0.150 7.420 1.00 0.73 O ATOM 832 CB TYR A 481 6.061 2.319 5.874 1.00 0.73 C ATOM 833 CG TYR A 481 5.261 3.417 6.535 1.00 0.73 C ATOM 834 CD1 TYR A 481 5.661 3.993 7.752 1.00 0.73 C ATOM 835 CD2 TYR A 481 4.044 3.819 5.962 1.00 0.73 C ATOM 836 CE1 TYR A 481 4.825 4.886 8.430 1.00 0.73 C ATOM 837 CE2 TYR A 481 3.209 4.723 6.630 1.00 0.73 C ATOM 838 CZ TYR A 481 3.590 5.240 7.879 1.00 0.73 C ATOM 839 OH TYR A 481 2.740 6.078 8.627 1.00 0.73 O ATOM 0 H TYR A 481 6.562 -0.299 5.528 1.00 0.73 H new ATOM 0 HA TYR A 481 7.497 1.792 7.404 1.00 0.73 H new ATOM 0 HB2 TYR A 481 6.840 2.784 5.270 1.00 0.73 H new ATOM 0 HB3 TYR A 481 5.403 1.784 5.189 1.00 0.73 H new ATOM 0 HD1 TYR A 481 6.625 3.743 8.169 1.00 0.73 H new ATOM 0 HD2 TYR A 481 3.750 3.428 4.999 1.00 0.73 H new ATOM 0 HE1 TYR A 481 5.133 5.302 9.378 1.00 0.73 H new ATOM 0 HE2 TYR A 481 2.272 5.023 6.185 1.00 0.73 H new ATOM 0 HH TYR A 481 3.279 6.669 9.193 1.00 0.73 H new ATOM 849 N ARG A 482 5.898 0.949 9.134 1.00 0.84 N ATOM 850 CA ARG A 482 5.082 0.399 10.211 1.00 0.84 C ATOM 851 C ARG A 482 4.021 1.384 10.712 1.00 0.84 C ATOM 852 O ARG A 482 4.215 2.598 10.795 1.00 0.84 O ATOM 853 CB ARG A 482 5.974 -0.100 11.378 1.00 0.84 C ATOM 854 CG ARG A 482 5.241 -0.931 12.459 1.00 0.84 C ATOM 855 CD ARG A 482 6.187 -1.650 13.435 1.00 0.84 C ATOM 856 NE ARG A 482 6.974 -2.685 12.674 1.00 0.84 N ATOM 857 CZ ARG A 482 7.973 -3.434 13.238 1.00 0.84 C ATOM 858 NH1 ARG A 482 8.301 -3.287 14.554 1.00 0.84 N ATOM 859 NH2 ARG A 482 8.648 -4.337 12.469 1.00 0.84 N ATOM 0 H ARG A 482 6.596 1.615 9.465 1.00 0.84 H new ATOM 0 HA ARG A 482 4.543 -0.452 9.795 1.00 0.84 H new ATOM 0 HB2 ARG A 482 6.782 -0.704 10.964 1.00 0.84 H new ATOM 0 HB3 ARG A 482 6.435 0.764 11.857 1.00 0.84 H new ATOM 0 HG2 ARG A 482 4.581 -0.273 13.025 1.00 0.84 H new ATOM 0 HG3 ARG A 482 4.609 -1.671 11.969 1.00 0.84 H new ATOM 0 HD2 ARG A 482 6.861 -0.933 13.904 1.00 0.84 H new ATOM 0 HD3 ARG A 482 5.617 -2.122 14.235 1.00 0.84 H new ATOM 0 HE ARG A 482 6.752 -2.836 11.690 1.00 0.84 H new ATOM 0 HH11 ARG A 482 7.800 -2.612 15.132 1.00 0.84 H new ATOM 0 HH12 ARG A 482 9.047 -3.852 14.960 1.00 0.84 H new ATOM 0 HH21 ARG A 482 8.407 -4.449 11.484 1.00 0.84 H new ATOM 0 HH22 ARG A 482 9.393 -4.900 12.879 1.00 0.84 H new ATOM 873 N PHE A 483 2.839 0.820 11.079 1.00 0.68 N ATOM 874 CA PHE A 483 1.617 1.439 11.571 1.00 0.68 C ATOM 875 C PHE A 483 1.533 1.527 13.122 1.00 0.68 C ATOM 876 O PHE A 483 2.288 0.864 13.831 1.00 0.68 O ATOM 877 CB PHE A 483 0.401 0.779 10.860 1.00 0.68 C ATOM 878 CG PHE A 483 -0.021 1.565 9.634 1.00 0.68 C ATOM 879 CD1 PHE A 483 0.818 1.684 8.509 1.00 0.68 C ATOM 880 CD2 PHE A 483 -1.251 2.243 9.624 1.00 0.68 C ATOM 881 CE1 PHE A 483 0.489 2.571 7.471 1.00 0.68 C ATOM 882 CE2 PHE A 483 -1.592 3.110 8.586 1.00 0.68 C ATOM 883 CZ PHE A 483 -0.708 3.301 7.525 1.00 0.68 C ATOM 0 H PHE A 483 2.726 -0.192 11.024 1.00 0.68 H new ATOM 0 HA PHE A 483 1.612 2.495 11.302 1.00 0.68 H new ATOM 0 HB2 PHE A 483 0.657 -0.240 10.570 1.00 0.68 H new ATOM 0 HB3 PHE A 483 -0.435 0.711 11.556 1.00 0.68 H new ATOM 0 HD1 PHE A 483 1.718 1.091 8.444 1.00 0.68 H new ATOM 0 HD2 PHE A 483 -1.946 2.090 10.436 1.00 0.68 H new ATOM 0 HE1 PHE A 483 1.157 2.691 6.631 1.00 0.68 H new ATOM 0 HE2 PHE A 483 -2.538 3.632 8.604 1.00 0.68 H new ATOM 0 HZ PHE A 483 -0.944 4.010 6.745 1.00 0.68 H new ATOM 893 N PRO A 484 0.654 2.392 13.689 1.00 0.53 N ATOM 894 CA PRO A 484 0.576 2.733 15.113 1.00 0.53 C ATOM 895 C PRO A 484 -0.389 1.810 15.907 1.00 0.53 C ATOM 896 O PRO A 484 -1.575 1.948 15.622 1.00 0.53 O ATOM 897 CB PRO A 484 0.011 4.170 15.008 1.00 0.53 C ATOM 898 CG PRO A 484 -0.947 4.163 13.797 1.00 0.53 C ATOM 899 CD PRO A 484 -0.429 3.009 12.931 1.00 0.53 C ATOM 0 HA PRO A 484 1.520 2.630 15.647 1.00 0.53 H new ATOM 0 HB2 PRO A 484 -0.516 4.450 15.920 1.00 0.53 H new ATOM 0 HB3 PRO A 484 0.813 4.895 14.867 1.00 0.53 H new ATOM 0 HG2 PRO A 484 -1.980 4.001 14.105 1.00 0.53 H new ATOM 0 HG3 PRO A 484 -0.920 5.111 13.259 1.00 0.53 H new ATOM 0 HD2 PRO A 484 -1.221 2.289 12.726 1.00 0.53 H new ATOM 0 HD3 PRO A 484 -0.073 3.374 11.968 1.00 0.53 H new ATOM 907 N PRO A 485 -0.068 0.969 16.929 1.00 0.68 N ATOM 908 CA PRO A 485 -0.918 -0.096 17.543 1.00 0.68 C ATOM 909 C PRO A 485 -2.323 0.217 18.132 1.00 0.68 C ATOM 910 O PRO A 485 -2.876 -0.662 18.793 1.00 0.68 O ATOM 911 CB PRO A 485 0.026 -0.753 18.578 1.00 0.68 C ATOM 912 CG PRO A 485 1.173 0.231 18.772 1.00 0.68 C ATOM 913 CD PRO A 485 1.307 0.863 17.396 1.00 0.68 C ATOM 0 HA PRO A 485 -1.272 -0.724 16.725 1.00 0.68 H new ATOM 0 HB2 PRO A 485 -0.493 -0.940 19.518 1.00 0.68 H new ATOM 0 HB3 PRO A 485 0.392 -1.715 18.219 1.00 0.68 H new ATOM 0 HG2 PRO A 485 0.945 0.973 19.538 1.00 0.68 H new ATOM 0 HG3 PRO A 485 2.091 -0.272 19.078 1.00 0.68 H new ATOM 0 HD2 PRO A 485 1.788 1.840 17.449 1.00 0.68 H new ATOM 0 HD3 PRO A 485 1.910 0.246 16.729 1.00 0.68 H new ATOM 921 N LYS A 486 -2.934 1.407 17.901 1.00 0.85 N ATOM 922 CA LYS A 486 -4.213 1.838 18.429 1.00 0.85 C ATOM 923 C LYS A 486 -5.365 2.044 17.446 1.00 0.85 C ATOM 924 O LYS A 486 -6.510 2.248 17.832 1.00 0.85 O ATOM 925 CB LYS A 486 -3.867 3.104 19.263 1.00 0.85 C ATOM 926 CG LYS A 486 -5.032 3.901 19.851 1.00 0.85 C ATOM 927 CD LYS A 486 -4.574 5.002 20.819 1.00 0.85 C ATOM 928 CE LYS A 486 -5.726 5.847 21.385 1.00 0.85 C ATOM 929 NZ LYS A 486 -6.651 5.024 22.201 1.00 0.85 N ATOM 0 H LYS A 486 -2.507 2.117 17.306 1.00 0.85 H new ATOM 0 HA LYS A 486 -4.649 1.029 19.014 1.00 0.85 H new ATOM 0 HB2 LYS A 486 -3.219 2.799 20.085 1.00 0.85 H new ATOM 0 HB3 LYS A 486 -3.285 3.775 18.631 1.00 0.85 H new ATOM 0 HG2 LYS A 486 -5.603 4.352 19.040 1.00 0.85 H new ATOM 0 HG3 LYS A 486 -5.704 3.221 20.374 1.00 0.85 H new ATOM 0 HD2 LYS A 486 -4.031 4.544 21.646 1.00 0.85 H new ATOM 0 HD3 LYS A 486 -3.873 5.658 20.303 1.00 0.85 H new ATOM 0 HE2 LYS A 486 -5.321 6.655 21.995 1.00 0.85 H new ATOM 0 HE3 LYS A 486 -6.276 6.311 20.566 1.00 0.85 H new ATOM 0 HZ1 LYS A 486 -7.369 5.638 22.637 1.00 0.85 H new ATOM 0 HZ2 LYS A 486 -7.119 4.322 21.593 1.00 0.85 H new ATOM 0 HZ3 LYS A 486 -6.115 4.534 22.946 1.00 0.85 H new ATOM 943 N PHE A 487 -5.115 1.996 16.135 1.00 0.81 N ATOM 944 CA PHE A 487 -6.114 2.275 15.076 1.00 0.81 C ATOM 945 C PHE A 487 -6.972 1.057 14.620 1.00 0.81 C ATOM 946 O PHE A 487 -6.625 -0.105 14.788 1.00 0.81 O ATOM 947 CB PHE A 487 -5.394 3.042 13.900 1.00 0.81 C ATOM 948 CG PHE A 487 -6.272 3.440 12.719 1.00 0.81 C ATOM 949 CD1 PHE A 487 -7.031 4.621 12.638 1.00 0.81 C ATOM 950 CD2 PHE A 487 -6.401 2.504 11.695 1.00 0.81 C ATOM 951 CE1 PHE A 487 -7.888 4.839 11.541 1.00 0.81 C ATOM 952 CE2 PHE A 487 -7.263 2.686 10.613 1.00 0.81 C ATOM 953 CZ PHE A 487 -8.009 3.866 10.533 1.00 0.81 C ATOM 0 H PHE A 487 -4.196 1.758 15.762 1.00 0.81 H new ATOM 0 HA PHE A 487 -6.883 2.917 15.505 1.00 0.81 H new ATOM 0 HB2 PHE A 487 -4.939 3.944 14.308 1.00 0.81 H new ATOM 0 HB3 PHE A 487 -4.583 2.416 13.528 1.00 0.81 H new ATOM 0 HD1 PHE A 487 -6.957 5.363 13.419 1.00 0.81 H new ATOM 0 HD2 PHE A 487 -5.810 1.601 11.741 1.00 0.81 H new ATOM 0 HE1 PHE A 487 -8.454 5.756 11.474 1.00 0.81 H new ATOM 0 HE2 PHE A 487 -7.353 1.928 9.849 1.00 0.81 H new ATOM 0 HZ PHE A 487 -8.676 4.030 9.700 1.00 0.81 H new ATOM 963 N THR A 488 -8.141 1.312 13.969 1.00 0.82 N ATOM 964 CA THR A 488 -9.061 0.329 13.369 1.00 0.82 C ATOM 965 C THR A 488 -9.737 0.959 12.168 1.00 0.82 C ATOM 966 O THR A 488 -10.206 2.087 12.229 1.00 0.82 O ATOM 967 CB THR A 488 -10.148 -0.219 14.311 1.00 0.82 C ATOM 968 OG1 THR A 488 -9.507 -0.966 15.335 1.00 0.82 O ATOM 969 CG2 THR A 488 -11.170 -1.173 13.620 1.00 0.82 C ATOM 0 H THR A 488 -8.477 2.267 13.847 1.00 0.82 H new ATOM 0 HA THR A 488 -8.440 -0.526 13.103 1.00 0.82 H new ATOM 0 HB THR A 488 -10.702 0.644 14.680 1.00 0.82 H new ATOM 0 HG1 THR A 488 -8.536 -0.919 15.215 1.00 0.82 H new ATOM 0 HG21 THR A 488 -11.902 -1.514 14.352 1.00 0.82 H new ATOM 0 HG22 THR A 488 -11.681 -0.640 12.818 1.00 0.82 H new ATOM 0 HG23 THR A 488 -10.643 -2.032 13.206 1.00 0.82 H new ATOM 977 N LEU A 489 -9.839 0.185 11.059 1.00 0.93 N ATOM 978 CA LEU A 489 -10.519 0.419 9.810 1.00 0.93 C ATOM 979 C LEU A 489 -11.880 -0.226 9.926 1.00 0.93 C ATOM 980 O LEU A 489 -12.060 -1.318 10.451 1.00 0.93 O ATOM 981 CB LEU A 489 -9.647 -0.188 8.665 1.00 0.93 C ATOM 982 CG LEU A 489 -10.258 -1.008 7.508 1.00 0.93 C ATOM 983 CD1 LEU A 489 -11.291 -0.171 6.777 1.00 0.93 C ATOM 984 CD2 LEU A 489 -9.167 -1.472 6.523 1.00 0.93 C ATOM 0 H LEU A 489 -9.381 -0.726 11.043 1.00 0.93 H new ATOM 0 HA LEU A 489 -10.659 1.476 9.583 1.00 0.93 H new ATOM 0 HB2 LEU A 489 -9.108 0.642 8.209 1.00 0.93 H new ATOM 0 HB3 LEU A 489 -8.904 -0.827 9.143 1.00 0.93 H new ATOM 0 HG LEU A 489 -10.736 -1.893 7.928 1.00 0.93 H new ATOM 0 HD11 LEU A 489 -11.720 -0.753 5.961 1.00 0.93 H new ATOM 0 HD12 LEU A 489 -12.081 0.119 7.470 1.00 0.93 H new ATOM 0 HD13 LEU A 489 -10.816 0.723 6.374 1.00 0.93 H new ATOM 0 HD21 LEU A 489 -9.624 -2.047 5.718 1.00 0.93 H new ATOM 0 HD22 LEU A 489 -8.660 -0.602 6.105 1.00 0.93 H new ATOM 0 HD23 LEU A 489 -8.444 -2.095 7.049 1.00 0.93 H new ATOM 996 N LYS A 490 -12.859 0.527 9.422 1.00 0.79 N ATOM 997 CA LYS A 490 -14.263 0.334 9.436 1.00 0.79 C ATOM 998 C LYS A 490 -14.740 -0.260 8.126 1.00 0.79 C ATOM 999 O LYS A 490 -14.489 0.391 7.132 1.00 0.79 O ATOM 1000 CB LYS A 490 -14.843 1.801 9.447 1.00 0.79 C ATOM 1001 CG LYS A 490 -14.136 2.740 10.456 1.00 0.79 C ATOM 1002 CD LYS A 490 -14.287 2.319 11.932 1.00 0.79 C ATOM 1003 CE LYS A 490 -15.733 2.250 12.455 1.00 0.79 C ATOM 1004 NZ LYS A 490 -16.411 3.564 12.357 1.00 0.79 N ATOM 0 H LYS A 490 -12.626 1.393 8.937 1.00 0.79 H new ATOM 0 HA LYS A 490 -14.557 -0.310 10.265 1.00 0.79 H new ATOM 0 HB2 LYS A 490 -14.756 2.225 8.447 1.00 0.79 H new ATOM 0 HB3 LYS A 490 -15.906 1.761 9.684 1.00 0.79 H new ATOM 0 HG2 LYS A 490 -13.075 2.784 10.210 1.00 0.79 H new ATOM 0 HG3 LYS A 490 -14.534 3.748 10.336 1.00 0.79 H new ATOM 0 HD2 LYS A 490 -13.825 1.341 12.062 1.00 0.79 H new ATOM 0 HD3 LYS A 490 -13.728 3.021 12.551 1.00 0.79 H new ATOM 0 HE2 LYS A 490 -16.292 1.508 11.885 1.00 0.79 H new ATOM 0 HE3 LYS A 490 -15.730 1.918 13.493 1.00 0.79 H new ATOM 0 HZ1 LYS A 490 -17.383 3.481 12.718 1.00 0.79 H new ATOM 0 HZ2 LYS A 490 -15.891 4.266 12.921 1.00 0.79 H new ATOM 0 HZ3 LYS A 490 -16.436 3.869 11.363 1.00 0.79 H new ATOM 1018 N ALA A 491 -15.447 -1.418 8.024 1.00 0.40 N ATOM 1019 CA ALA A 491 -16.228 -1.946 6.870 1.00 0.40 C ATOM 1020 C ALA A 491 -16.607 -0.970 5.710 1.00 0.40 C ATOM 1021 O ALA A 491 -17.536 -0.173 5.829 1.00 0.40 O ATOM 1022 CB ALA A 491 -17.554 -2.447 7.485 1.00 0.40 C ATOM 0 H ALA A 491 -15.489 -2.061 8.814 1.00 0.40 H new ATOM 0 HA ALA A 491 -15.582 -2.680 6.388 1.00 0.40 H new ATOM 0 HB1 ALA A 491 -18.189 -2.853 6.698 1.00 0.40 H new ATOM 0 HB2 ALA A 491 -17.344 -3.225 8.219 1.00 0.40 H new ATOM 0 HB3 ALA A 491 -18.066 -1.617 7.972 1.00 0.40 H new ATOM 1028 N GLY A 492 -15.727 -0.925 4.672 1.00 0.27 N ATOM 1029 CA GLY A 492 -15.548 0.140 3.664 1.00 0.27 C ATOM 1030 C GLY A 492 -15.365 1.608 3.976 1.00 0.27 C ATOM 1031 O GLY A 492 -16.043 2.489 3.459 1.00 0.27 O ATOM 0 H GLY A 492 -15.078 -1.695 4.512 1.00 0.27 H new ATOM 0 HA2 GLY A 492 -14.680 -0.151 3.072 1.00 0.27 H new ATOM 0 HA3 GLY A 492 -16.416 0.080 3.007 1.00 0.27 H new ATOM 1035 N GLN A 493 -14.299 1.887 4.761 1.00 0.35 N ATOM 1036 CA GLN A 493 -13.724 3.178 5.068 1.00 0.35 C ATOM 1037 C GLN A 493 -12.715 3.471 3.931 1.00 0.35 C ATOM 1038 O GLN A 493 -12.205 2.499 3.327 1.00 0.35 O ATOM 1039 CB GLN A 493 -13.031 3.131 6.469 1.00 0.35 C ATOM 1040 CG GLN A 493 -11.719 3.907 6.767 1.00 0.35 C ATOM 1041 CD GLN A 493 -10.445 3.082 6.537 1.00 0.35 C ATOM 1042 OE1 GLN A 493 -10.363 2.312 5.419 1.00 0.35 O flip ATOM 1043 NE2 GLN A 493 -9.573 3.080 7.406 1.00 0.35 N flip ATOM 0 H GLN A 493 -13.789 1.136 5.227 1.00 0.35 H new ATOM 0 HA GLN A 493 -14.474 3.967 5.123 1.00 0.35 H new ATOM 0 HB2 GLN A 493 -13.769 3.471 7.196 1.00 0.35 H new ATOM 0 HB3 GLN A 493 -12.831 2.082 6.685 1.00 0.35 H new ATOM 0 HG2 GLN A 493 -11.683 4.796 6.138 1.00 0.35 H new ATOM 0 HG3 GLN A 493 -11.737 4.249 7.802 1.00 0.35 H new ATOM 0 HE21 GLN A 493 -9.673 3.673 8.230 1.00 0.35 H new ATOM 0 HE22 GLN A 493 -8.751 2.486 7.302 1.00 0.35 H new ATOM 1052 N VAL A 494 -12.328 4.770 3.744 1.00 0.36 N ATOM 1053 CA VAL A 494 -11.245 5.253 2.888 1.00 0.36 C ATOM 1054 C VAL A 494 -9.993 5.482 3.726 1.00 0.36 C ATOM 1055 O VAL A 494 -10.022 6.168 4.749 1.00 0.36 O ATOM 1056 CB VAL A 494 -11.560 6.594 2.192 1.00 0.36 C ATOM 1057 CG1 VAL A 494 -10.363 7.134 1.343 1.00 0.36 C ATOM 1058 CG2 VAL A 494 -12.810 6.416 1.307 1.00 0.36 C ATOM 0 H VAL A 494 -12.803 5.536 4.222 1.00 0.36 H new ATOM 0 HA VAL A 494 -11.108 4.486 2.126 1.00 0.36 H new ATOM 0 HB VAL A 494 -11.745 7.338 2.967 1.00 0.36 H new ATOM 0 HG11 VAL A 494 -10.644 8.079 0.878 1.00 0.36 H new ATOM 0 HG12 VAL A 494 -9.500 7.290 1.990 1.00 0.36 H new ATOM 0 HG13 VAL A 494 -10.110 6.410 0.569 1.00 0.36 H new ATOM 0 HG21 VAL A 494 -13.041 7.358 0.810 1.00 0.36 H new ATOM 0 HG22 VAL A 494 -12.619 5.648 0.557 1.00 0.36 H new ATOM 0 HG23 VAL A 494 -13.655 6.116 1.927 1.00 0.36 H new ATOM 1068 N VAL A 495 -8.840 4.944 3.257 1.00 0.55 N ATOM 1069 CA VAL A 495 -7.559 5.213 3.868 1.00 0.55 C ATOM 1070 C VAL A 495 -6.481 5.290 2.835 1.00 0.55 C ATOM 1071 O VAL A 495 -6.246 4.398 2.033 1.00 0.55 O ATOM 1072 CB VAL A 495 -7.245 4.338 5.075 1.00 0.55 C ATOM 1073 CG1 VAL A 495 -7.079 2.868 4.637 1.00 0.55 C ATOM 1074 CG2 VAL A 495 -6.065 4.908 5.897 1.00 0.55 C ATOM 0 H VAL A 495 -8.795 4.320 2.451 1.00 0.55 H new ATOM 0 HA VAL A 495 -7.615 6.204 4.318 1.00 0.55 H new ATOM 0 HB VAL A 495 -8.088 4.351 5.766 1.00 0.55 H new ATOM 0 HG11 VAL A 495 -6.855 2.252 5.508 1.00 0.55 H new ATOM 0 HG12 VAL A 495 -8.002 2.520 4.174 1.00 0.55 H new ATOM 0 HG13 VAL A 495 -6.262 2.792 3.919 1.00 0.55 H new ATOM 0 HG21 VAL A 495 -5.869 4.259 6.750 1.00 0.55 H new ATOM 0 HG22 VAL A 495 -5.176 4.961 5.269 1.00 0.55 H new ATOM 0 HG23 VAL A 495 -6.318 5.907 6.252 1.00 0.55 H new ATOM 1084 N THR A 496 -5.775 6.431 2.817 1.00 0.72 N ATOM 1085 CA THR A 496 -4.714 6.722 1.877 1.00 0.72 C ATOM 1086 C THR A 496 -3.341 6.592 2.517 1.00 0.72 C ATOM 1087 O THR A 496 -2.916 7.410 3.337 1.00 0.72 O ATOM 1088 CB THR A 496 -4.874 8.169 1.376 1.00 0.72 C ATOM 1089 OG1 THR A 496 -6.165 8.370 0.814 1.00 0.72 O ATOM 1090 CG2 THR A 496 -3.845 8.552 0.299 1.00 0.72 C ATOM 0 H THR A 496 -5.941 7.189 3.479 1.00 0.72 H new ATOM 0 HA THR A 496 -4.786 6.005 1.059 1.00 0.72 H new ATOM 0 HB THR A 496 -4.720 8.796 2.254 1.00 0.72 H new ATOM 0 HG1 THR A 496 -6.246 9.296 0.504 1.00 0.72 H new ATOM 0 HG21 THR A 496 -4.011 9.583 -0.012 1.00 0.72 H new ATOM 0 HG22 THR A 496 -2.839 8.453 0.706 1.00 0.72 H new ATOM 0 HG23 THR A 496 -3.955 7.891 -0.561 1.00 0.72 H new ATOM 1098 N ILE A 497 -2.557 5.565 2.098 1.00 0.70 N ATOM 1099 CA ILE A 497 -1.155 5.462 2.493 1.00 0.70 C ATOM 1100 C ILE A 497 -0.306 5.859 1.299 1.00 0.70 C ATOM 1101 O ILE A 497 -0.619 5.441 0.188 1.00 0.70 O ATOM 1102 CB ILE A 497 -0.767 4.065 2.979 1.00 0.70 C ATOM 1103 CG1 ILE A 497 -1.657 3.675 4.166 1.00 0.70 C ATOM 1104 CG2 ILE A 497 0.636 4.123 3.618 1.00 0.70 C ATOM 1105 CD1 ILE A 497 -3.055 3.128 3.892 1.00 0.70 C ATOM 0 H ILE A 497 -2.881 4.811 1.493 1.00 0.70 H new ATOM 0 HA ILE A 497 -0.987 6.128 3.339 1.00 0.70 H new ATOM 0 HB ILE A 497 -0.841 3.385 2.130 1.00 0.70 H new ATOM 0 HG12 ILE A 497 -1.119 2.927 4.749 1.00 0.70 H new ATOM 0 HG13 ILE A 497 -1.766 4.555 4.799 1.00 0.70 H new ATOM 0 HG21 ILE A 497 0.918 3.130 3.967 1.00 0.70 H new ATOM 0 HG22 ILE A 497 1.359 4.467 2.878 1.00 0.70 H new ATOM 0 HG23 ILE A 497 0.623 4.813 4.461 1.00 0.70 H new ATOM 0 HD11 ILE A 497 -3.549 2.903 4.837 1.00 0.70 H new ATOM 0 HD12 ILE A 497 -3.636 3.872 3.347 1.00 0.70 H new ATOM 0 HD13 ILE A 497 -2.979 2.218 3.296 1.00 0.70 H new ATOM 1117 N TRP A 498 0.813 6.609 1.529 1.00 0.58 N ATOM 1118 CA TRP A 498 1.875 6.927 0.541 1.00 0.58 C ATOM 1119 C TRP A 498 3.129 7.719 0.891 1.00 0.58 C ATOM 1120 O TRP A 498 3.536 7.762 2.048 1.00 0.58 O ATOM 1121 CB TRP A 498 1.515 6.959 -0.978 1.00 0.58 C ATOM 1122 CG TRP A 498 2.137 5.785 -1.759 1.00 0.58 C ATOM 1123 CD1 TRP A 498 2.564 5.820 -3.046 1.00 0.58 C ATOM 1124 CD2 TRP A 498 2.466 4.449 -1.284 1.00 0.58 C ATOM 1125 NE1 TRP A 498 3.118 4.637 -3.410 1.00 0.58 N ATOM 1126 CE2 TRP A 498 3.131 3.797 -2.340 1.00 0.58 C ATOM 1127 CE3 TRP A 498 2.252 3.774 -0.079 1.00 0.58 C ATOM 1128 CZ2 TRP A 498 3.611 2.507 -2.206 1.00 0.58 C ATOM 1129 CZ3 TRP A 498 2.764 2.493 0.074 1.00 0.58 C ATOM 1130 CH2 TRP A 498 3.454 1.878 -0.962 1.00 0.58 C ATOM 0 H TRP A 498 1.001 7.021 2.443 1.00 0.58 H new ATOM 0 HA TRP A 498 2.250 5.932 0.779 1.00 0.58 H new ATOM 0 HB2 TRP A 498 0.431 6.932 -1.091 1.00 0.58 H new ATOM 0 HB3 TRP A 498 1.858 7.900 -1.409 1.00 0.58 H new ATOM 0 HD1 TRP A 498 2.474 6.678 -3.696 1.00 0.58 H new ATOM 0 HE1 TRP A 498 3.470 4.412 -4.341 1.00 0.58 H new ATOM 0 HE3 TRP A 498 1.697 4.242 0.721 1.00 0.58 H new ATOM 0 HZ2 TRP A 498 4.090 2.001 -3.031 1.00 0.58 H new ATOM 0 HZ3 TRP A 498 2.624 1.969 1.008 1.00 0.58 H new ATOM 0 HH2 TRP A 498 3.878 0.897 -0.807 1.00 0.58 H new ATOM 1141 N ALA A 499 3.843 8.287 -0.130 1.00 0.33 N ATOM 1142 CA ALA A 499 5.135 8.932 -0.013 1.00 0.33 C ATOM 1143 C ALA A 499 5.022 10.437 0.225 1.00 0.33 C ATOM 1144 O ALA A 499 4.051 11.056 -0.216 1.00 0.33 O ATOM 1145 CB ALA A 499 5.947 8.583 -1.267 1.00 0.33 C ATOM 0 H ALA A 499 3.493 8.293 -1.088 1.00 0.33 H new ATOM 0 HA ALA A 499 5.654 8.560 0.870 1.00 0.33 H new ATOM 0 HB1 ALA A 499 6.928 9.055 -1.209 1.00 0.33 H new ATOM 0 HB2 ALA A 499 6.068 7.502 -1.333 1.00 0.33 H new ATOM 0 HB3 ALA A 499 5.423 8.944 -2.152 1.00 0.33 H new ATOM 1151 N ALA A 500 5.995 11.067 0.963 1.00 0.18 N ATOM 1152 CA ALA A 500 5.996 12.487 1.402 1.00 0.18 C ATOM 1153 C ALA A 500 5.771 13.584 0.363 1.00 0.18 C ATOM 1154 O ALA A 500 5.136 14.604 0.617 1.00 0.18 O ATOM 1155 CB ALA A 500 7.327 12.857 2.098 1.00 0.18 C ATOM 0 H ALA A 500 6.829 10.570 1.275 1.00 0.18 H new ATOM 0 HA ALA A 500 5.119 12.485 2.049 1.00 0.18 H new ATOM 0 HB1 ALA A 500 7.298 13.902 2.408 1.00 0.18 H new ATOM 0 HB2 ALA A 500 7.468 12.223 2.973 1.00 0.18 H new ATOM 0 HB3 ALA A 500 8.154 12.708 1.404 1.00 0.18 H new ATOM 1161 N GLY A 501 6.373 13.374 -0.832 1.00 0.15 N ATOM 1162 CA GLY A 501 6.412 14.304 -1.949 1.00 0.15 C ATOM 1163 C GLY A 501 5.802 13.677 -3.157 1.00 0.15 C ATOM 1164 O GLY A 501 6.263 13.857 -4.281 1.00 0.15 O ATOM 0 H GLY A 501 6.864 12.504 -1.037 1.00 0.15 H new ATOM 0 HA2 GLY A 501 5.874 15.216 -1.692 1.00 0.15 H new ATOM 0 HA3 GLY A 501 7.443 14.590 -2.159 1.00 0.15 H new ATOM 1168 N ALA A 502 4.705 12.911 -2.939 1.00 0.13 N ATOM 1169 CA ALA A 502 3.895 12.274 -3.960 1.00 0.13 C ATOM 1170 C ALA A 502 2.728 13.139 -4.472 1.00 0.13 C ATOM 1171 O ALA A 502 1.980 12.740 -5.364 1.00 0.13 O ATOM 1172 CB ALA A 502 3.352 10.963 -3.357 1.00 0.13 C ATOM 0 H ALA A 502 4.361 12.723 -1.997 1.00 0.13 H new ATOM 0 HA ALA A 502 4.526 12.102 -4.832 1.00 0.13 H new ATOM 0 HB1 ALA A 502 2.735 10.451 -4.095 1.00 0.13 H new ATOM 0 HB2 ALA A 502 4.185 10.321 -3.072 1.00 0.13 H new ATOM 0 HB3 ALA A 502 2.751 11.189 -2.476 1.00 0.13 H new ATOM 1178 N GLY A 503 2.526 14.345 -3.868 1.00 0.12 N ATOM 1179 CA GLY A 503 1.409 15.252 -4.149 1.00 0.12 C ATOM 1180 C GLY A 503 0.406 15.262 -3.024 1.00 0.12 C ATOM 1181 O GLY A 503 -0.578 15.998 -3.053 1.00 0.12 O ATOM 0 H GLY A 503 3.160 14.709 -3.156 1.00 0.12 H new ATOM 0 HA2 GLY A 503 1.790 16.261 -4.307 1.00 0.12 H new ATOM 0 HA3 GLY A 503 0.917 14.949 -5.073 1.00 0.12 H new ATOM 1185 N ALA A 504 0.664 14.407 -2.001 1.00 0.14 N ATOM 1186 CA ALA A 504 -0.103 14.182 -0.790 1.00 0.14 C ATOM 1187 C ALA A 504 0.055 15.236 0.322 1.00 0.14 C ATOM 1188 O ALA A 504 1.019 15.995 0.398 1.00 0.14 O ATOM 1189 CB ALA A 504 0.286 12.786 -0.242 1.00 0.14 C ATOM 0 H ALA A 504 1.493 13.813 -2.024 1.00 0.14 H new ATOM 0 HA ALA A 504 -1.152 14.255 -1.077 1.00 0.14 H new ATOM 0 HB1 ALA A 504 -0.274 12.585 0.671 1.00 0.14 H new ATOM 0 HB2 ALA A 504 0.052 12.025 -0.986 1.00 0.14 H new ATOM 0 HB3 ALA A 504 1.354 12.765 -0.025 1.00 0.14 H new ATOM 1195 N THR A 505 -0.938 15.257 1.234 1.00 0.22 N ATOM 1196 CA THR A 505 -1.092 16.153 2.380 1.00 0.22 C ATOM 1197 C THR A 505 -0.767 15.350 3.616 1.00 0.22 C ATOM 1198 O THR A 505 -1.335 14.279 3.798 1.00 0.22 O ATOM 1199 CB THR A 505 -2.549 16.645 2.445 1.00 0.22 C ATOM 1200 OG1 THR A 505 -2.737 17.645 1.457 1.00 0.22 O ATOM 1201 CG2 THR A 505 -3.022 17.237 3.792 1.00 0.22 C ATOM 0 H THR A 505 -1.710 14.592 1.177 1.00 0.22 H new ATOM 0 HA THR A 505 -0.435 17.019 2.298 1.00 0.22 H new ATOM 0 HB THR A 505 -3.144 15.745 2.290 1.00 0.22 H new ATOM 0 HG1 THR A 505 -3.663 17.965 1.488 1.00 0.22 H new ATOM 0 HG21 THR A 505 -4.064 17.546 3.708 1.00 0.22 H new ATOM 0 HG22 THR A 505 -2.929 16.483 4.573 1.00 0.22 H new ATOM 0 HG23 THR A 505 -2.407 18.100 4.046 1.00 0.22 H new ATOM 1209 N HIS A 506 0.126 15.814 4.545 1.00 0.30 N ATOM 1210 CA HIS A 506 0.446 15.107 5.796 1.00 0.30 C ATOM 1211 C HIS A 506 -0.721 15.180 6.802 1.00 0.30 C ATOM 1212 O HIS A 506 -1.048 16.206 7.393 1.00 0.30 O ATOM 1213 CB HIS A 506 1.887 15.426 6.319 1.00 0.30 C ATOM 1214 CG HIS A 506 2.191 16.643 7.186 1.00 0.30 C ATOM 1215 ND1 HIS A 506 3.347 17.383 7.006 1.00 0.30 N ATOM 1216 CD2 HIS A 506 1.639 17.121 8.340 1.00 0.30 C ATOM 1217 CE1 HIS A 506 3.426 18.269 8.028 1.00 0.30 C ATOM 1218 NE2 HIS A 506 2.414 18.147 8.859 1.00 0.30 N ATOM 0 H HIS A 506 0.636 16.690 4.433 1.00 0.30 H new ATOM 0 HA HIS A 506 0.524 14.038 5.597 1.00 0.30 H new ATOM 0 HB2 HIS A 506 2.216 14.552 6.881 1.00 0.30 H new ATOM 0 HB3 HIS A 506 2.529 15.500 5.441 1.00 0.30 H new ATOM 0 HD2 HIS A 506 0.727 16.752 8.786 1.00 0.30 H new ATOM 0 HE1 HIS A 506 4.223 18.988 8.146 1.00 0.30 H new ATOM 0 HE2 HIS A 506 2.237 18.690 9.704 1.00 0.30 H new ATOM 1226 N SER A 507 -1.485 14.057 6.865 1.00 0.26 N ATOM 1227 CA SER A 507 -2.797 13.993 7.526 1.00 0.26 C ATOM 1228 C SER A 507 -3.288 12.663 8.157 1.00 0.26 C ATOM 1229 O SER A 507 -4.294 12.107 7.706 1.00 0.26 O ATOM 1230 CB SER A 507 -3.828 14.607 6.556 1.00 0.26 C ATOM 1231 OG SER A 507 -3.983 16.013 6.731 1.00 0.26 O ATOM 0 H SER A 507 -1.197 13.170 6.453 1.00 0.26 H new ATOM 0 HA SER A 507 -2.670 14.563 8.447 1.00 0.26 H new ATOM 0 HB2 SER A 507 -3.520 14.405 5.530 1.00 0.26 H new ATOM 0 HB3 SER A 507 -4.792 14.119 6.701 1.00 0.26 H new ATOM 0 HG SER A 507 -3.125 16.407 6.993 1.00 0.26 H new ATOM 1237 N PRO A 508 -2.635 12.074 9.181 1.00 0.20 N ATOM 1238 CA PRO A 508 -3.063 10.862 9.909 1.00 0.20 C ATOM 1239 C PRO A 508 -4.397 10.927 10.692 1.00 0.20 C ATOM 1240 O PRO A 508 -4.768 12.011 11.138 1.00 0.20 O ATOM 1241 CB PRO A 508 -1.909 10.614 10.893 1.00 0.20 C ATOM 1242 CG PRO A 508 -0.726 11.125 10.101 1.00 0.20 C ATOM 1243 CD PRO A 508 -1.264 12.430 9.517 1.00 0.20 C ATOM 0 HA PRO A 508 -3.263 10.078 9.179 1.00 0.20 H new ATOM 0 HB2 PRO A 508 -2.043 11.158 11.828 1.00 0.20 H new ATOM 0 HB3 PRO A 508 -1.807 9.559 11.149 1.00 0.20 H new ATOM 0 HG2 PRO A 508 0.146 11.292 10.734 1.00 0.20 H new ATOM 0 HG3 PRO A 508 -0.425 10.424 9.322 1.00 0.20 H new ATOM 0 HD2 PRO A 508 -1.220 13.247 10.237 1.00 0.20 H new ATOM 0 HD3 PRO A 508 -0.699 12.747 8.640 1.00 0.20 H new ATOM 1251 N PRO A 509 -5.113 9.799 10.901 1.00 0.37 N ATOM 1252 CA PRO A 509 -4.772 8.434 10.488 1.00 0.37 C ATOM 1253 C PRO A 509 -5.400 8.095 9.125 1.00 0.37 C ATOM 1254 O PRO A 509 -5.749 6.944 8.886 1.00 0.37 O ATOM 1255 CB PRO A 509 -5.406 7.631 11.636 1.00 0.37 C ATOM 1256 CG PRO A 509 -6.706 8.381 11.968 1.00 0.37 C ATOM 1257 CD PRO A 509 -6.384 9.842 11.623 1.00 0.37 C ATOM 0 HA PRO A 509 -3.708 8.244 10.344 1.00 0.37 H new ATOM 0 HB2 PRO A 509 -5.608 6.603 11.335 1.00 0.37 H new ATOM 0 HB3 PRO A 509 -4.743 7.586 12.500 1.00 0.37 H new ATOM 0 HG2 PRO A 509 -7.545 8.007 11.381 1.00 0.37 H new ATOM 0 HG3 PRO A 509 -6.976 8.268 13.018 1.00 0.37 H new ATOM 0 HD2 PRO A 509 -7.170 10.283 11.010 1.00 0.37 H new ATOM 0 HD3 PRO A 509 -6.304 10.450 12.524 1.00 0.37 H new ATOM 1265 N THR A 510 -5.556 9.098 8.226 1.00 0.65 N ATOM 1266 CA THR A 510 -6.250 9.021 6.945 1.00 0.65 C ATOM 1267 C THR A 510 -5.328 9.199 5.747 1.00 0.65 C ATOM 1268 O THR A 510 -5.576 8.611 4.697 1.00 0.65 O ATOM 1269 CB THR A 510 -7.456 9.976 6.911 1.00 0.65 C ATOM 1270 OG1 THR A 510 -7.160 11.284 7.407 1.00 0.65 O ATOM 1271 CG2 THR A 510 -8.529 9.389 7.847 1.00 0.65 C ATOM 0 H THR A 510 -5.175 10.028 8.398 1.00 0.65 H new ATOM 0 HA THR A 510 -6.633 8.004 6.856 1.00 0.65 H new ATOM 0 HB THR A 510 -7.769 10.069 5.871 1.00 0.65 H new ATOM 0 HG1 THR A 510 -6.190 11.423 7.405 1.00 0.65 H new ATOM 0 HG21 THR A 510 -9.404 10.039 7.851 1.00 0.65 H new ATOM 0 HG22 THR A 510 -8.815 8.398 7.496 1.00 0.65 H new ATOM 0 HG23 THR A 510 -8.128 9.314 8.858 1.00 0.65 H new ATOM 1279 N ASP A 511 -4.238 9.992 5.888 1.00 0.62 N ATOM 1280 CA ASP A 511 -3.254 10.258 4.872 1.00 0.62 C ATOM 1281 C ASP A 511 -1.932 10.008 5.580 1.00 0.62 C ATOM 1282 O ASP A 511 -1.473 10.813 6.393 1.00 0.62 O ATOM 1283 CB ASP A 511 -3.412 11.728 4.369 1.00 0.62 C ATOM 1284 CG ASP A 511 -3.030 11.846 2.892 1.00 0.62 C ATOM 1285 OD1 ASP A 511 -1.870 11.496 2.546 1.00 0.62 O ATOM 1286 OD2 ASP A 511 -3.896 12.284 2.089 1.00 0.62 O ATOM 0 H ASP A 511 -4.034 10.474 6.763 1.00 0.62 H new ATOM 0 HA ASP A 511 -3.343 9.637 3.981 1.00 0.62 H new ATOM 0 HB2 ASP A 511 -4.442 12.055 4.509 1.00 0.62 H new ATOM 0 HB3 ASP A 511 -2.783 12.390 4.965 1.00 0.62 H new ATOM 1291 N LEU A 512 -1.283 8.856 5.287 1.00 0.38 N ATOM 1292 CA LEU A 512 -0.039 8.467 5.943 1.00 0.38 C ATOM 1293 C LEU A 512 1.067 8.618 4.945 1.00 0.38 C ATOM 1294 O LEU A 512 1.305 7.732 4.124 1.00 0.38 O ATOM 1295 CB LEU A 512 -0.003 7.043 6.555 1.00 0.38 C ATOM 1296 CG LEU A 512 -1.021 6.762 7.680 1.00 0.38 C ATOM 1297 CD1 LEU A 512 -1.111 7.868 8.741 1.00 0.38 C ATOM 1298 CD2 LEU A 512 -2.382 6.417 7.067 1.00 0.38 C ATOM 0 H LEU A 512 -1.614 8.185 4.594 1.00 0.38 H new ATOM 0 HA LEU A 512 0.069 9.125 6.805 1.00 0.38 H new ATOM 0 HB2 LEU A 512 -0.168 6.321 5.755 1.00 0.38 H new ATOM 0 HB3 LEU A 512 0.999 6.863 6.946 1.00 0.38 H new ATOM 0 HG LEU A 512 -0.655 5.900 8.238 1.00 0.38 H new ATOM 0 HD11 LEU A 512 -1.849 7.591 9.494 1.00 0.38 H new ATOM 0 HD12 LEU A 512 -0.138 7.996 9.216 1.00 0.38 H new ATOM 0 HD13 LEU A 512 -1.410 8.803 8.267 1.00 0.38 H new ATOM 0 HD21 LEU A 512 -3.100 6.219 7.863 1.00 0.38 H new ATOM 0 HD22 LEU A 512 -2.732 7.254 6.463 1.00 0.38 H new ATOM 0 HD23 LEU A 512 -2.284 5.532 6.438 1.00 0.38 H new ATOM 1310 N VAL A 513 1.752 9.791 5.033 1.00 0.38 N ATOM 1311 CA VAL A 513 2.865 10.201 4.210 1.00 0.38 C ATOM 1312 C VAL A 513 4.139 9.874 4.961 1.00 0.38 C ATOM 1313 O VAL A 513 4.282 10.109 6.163 1.00 0.38 O ATOM 1314 CB VAL A 513 2.764 11.617 3.657 1.00 0.38 C ATOM 1315 CG1 VAL A 513 1.318 11.908 3.209 1.00 0.38 C ATOM 1316 CG2 VAL A 513 3.299 12.645 4.643 1.00 0.38 C ATOM 0 H VAL A 513 1.509 10.498 5.727 1.00 0.38 H new ATOM 0 HA VAL A 513 2.860 9.633 3.280 1.00 0.38 H new ATOM 0 HB VAL A 513 3.400 11.697 2.776 1.00 0.38 H new ATOM 0 HG11 VAL A 513 1.256 12.923 2.815 1.00 0.38 H new ATOM 0 HG12 VAL A 513 1.028 11.199 2.433 1.00 0.38 H new ATOM 0 HG13 VAL A 513 0.646 11.808 4.061 1.00 0.38 H new ATOM 0 HG21 VAL A 513 3.210 13.643 4.213 1.00 0.38 H new ATOM 0 HG22 VAL A 513 2.724 12.596 5.568 1.00 0.38 H new ATOM 0 HG23 VAL A 513 4.347 12.434 4.856 1.00 0.38 H new ATOM 1326 N TRP A 514 5.106 9.276 4.249 1.00 0.57 N ATOM 1327 CA TRP A 514 6.352 8.803 4.847 1.00 0.57 C ATOM 1328 C TRP A 514 7.620 9.396 4.239 1.00 0.57 C ATOM 1329 O TRP A 514 7.657 9.993 3.168 1.00 0.57 O ATOM 1330 CB TRP A 514 6.280 7.262 5.067 1.00 0.57 C ATOM 1331 CG TRP A 514 7.484 6.357 4.885 1.00 0.57 C ATOM 1332 CD1 TRP A 514 7.905 5.963 3.662 1.00 0.57 C ATOM 1333 CD2 TRP A 514 8.223 5.567 5.832 1.00 0.57 C ATOM 1334 NE1 TRP A 514 8.615 4.795 3.756 1.00 0.57 N ATOM 1335 CE2 TRP A 514 8.803 4.524 5.083 1.00 0.57 C ATOM 1336 CE3 TRP A 514 8.402 5.647 7.213 1.00 0.57 C ATOM 1337 CZ2 TRP A 514 9.443 3.476 5.708 1.00 0.57 C ATOM 1338 CZ3 TRP A 514 9.234 4.671 7.795 1.00 0.57 C ATOM 1339 CH2 TRP A 514 9.702 3.576 7.070 1.00 0.57 C ATOM 0 H TRP A 514 5.041 9.109 3.245 1.00 0.57 H new ATOM 0 HA TRP A 514 6.455 9.219 5.849 1.00 0.57 H new ATOM 0 HB2 TRP A 514 5.925 7.108 6.086 1.00 0.57 H new ATOM 0 HB3 TRP A 514 5.504 6.887 4.399 1.00 0.57 H new ATOM 0 HD1 TRP A 514 7.709 6.494 2.742 1.00 0.57 H new ATOM 0 HE1 TRP A 514 8.945 4.228 2.975 1.00 0.57 H new ATOM 0 HE3 TRP A 514 7.928 6.416 7.804 1.00 0.57 H new ATOM 0 HZ2 TRP A 514 9.737 2.597 5.153 1.00 0.57 H new ATOM 0 HZ3 TRP A 514 9.517 4.774 8.832 1.00 0.57 H new ATOM 0 HH2 TRP A 514 10.268 2.803 7.568 1.00 0.57 H new ATOM 1350 N LYS A 515 8.650 9.258 5.100 1.00 0.60 N ATOM 1351 CA LYS A 515 9.994 9.812 5.147 1.00 0.60 C ATOM 1352 C LYS A 515 11.102 9.027 4.483 1.00 0.60 C ATOM 1353 O LYS A 515 12.039 9.612 3.946 1.00 0.60 O ATOM 1354 CB LYS A 515 10.382 10.100 6.625 1.00 0.60 C ATOM 1355 CG LYS A 515 9.378 11.042 7.310 1.00 0.60 C ATOM 1356 CD LYS A 515 9.777 11.394 8.750 1.00 0.60 C ATOM 1357 CE LYS A 515 8.794 12.347 9.447 1.00 0.60 C ATOM 1358 NZ LYS A 515 7.452 11.734 9.590 1.00 0.60 N ATOM 0 H LYS A 515 8.517 8.649 5.908 1.00 0.60 H new ATOM 0 HA LYS A 515 9.920 10.716 4.542 1.00 0.60 H new ATOM 0 HB2 LYS A 515 10.433 9.161 7.176 1.00 0.60 H new ATOM 0 HB3 LYS A 515 11.377 10.544 6.659 1.00 0.60 H new ATOM 0 HG2 LYS A 515 9.292 11.959 6.727 1.00 0.60 H new ATOM 0 HG3 LYS A 515 8.393 10.574 7.315 1.00 0.60 H new ATOM 0 HD2 LYS A 515 9.853 10.475 9.332 1.00 0.60 H new ATOM 0 HD3 LYS A 515 10.767 11.849 8.742 1.00 0.60 H new ATOM 0 HE2 LYS A 515 9.180 12.614 10.431 1.00 0.60 H new ATOM 0 HE3 LYS A 515 8.714 13.271 8.875 1.00 0.60 H new ATOM 0 HZ1 LYS A 515 6.842 12.361 10.153 1.00 0.60 H new ATOM 0 HZ2 LYS A 515 7.032 11.596 8.649 1.00 0.60 H new ATOM 0 HZ3 LYS A 515 7.539 10.815 10.069 1.00 0.60 H new ATOM 1372 N ALA A 516 11.047 7.666 4.507 1.00 0.54 N ATOM 1373 CA ALA A 516 12.113 6.808 3.982 1.00 0.54 C ATOM 1374 C ALA A 516 11.980 6.480 2.494 1.00 0.54 C ATOM 1375 O ALA A 516 12.809 5.794 1.902 1.00 0.54 O ATOM 1376 CB ALA A 516 12.211 5.532 4.832 1.00 0.54 C ATOM 0 H ALA A 516 10.258 7.147 4.893 1.00 0.54 H new ATOM 0 HA ALA A 516 13.040 7.376 4.058 1.00 0.54 H new ATOM 0 HB1 ALA A 516 13.004 4.894 4.441 1.00 0.54 H new ATOM 0 HB2 ALA A 516 12.436 5.799 5.865 1.00 0.54 H new ATOM 0 HB3 ALA A 516 11.263 4.996 4.794 1.00 0.54 H new ATOM 1382 N GLN A 517 10.903 7.021 1.882 1.00 0.69 N ATOM 1383 CA GLN A 517 10.576 6.980 0.481 1.00 0.69 C ATOM 1384 C GLN A 517 9.901 8.301 0.263 1.00 0.69 C ATOM 1385 O GLN A 517 8.791 8.496 0.748 1.00 0.69 O ATOM 1386 CB GLN A 517 9.561 5.868 0.089 1.00 0.69 C ATOM 1387 CG GLN A 517 10.241 4.564 -0.354 1.00 0.69 C ATOM 1388 CD GLN A 517 9.184 3.532 -0.723 1.00 0.69 C ATOM 1389 OE1 GLN A 517 9.507 2.240 -0.515 1.00 0.69 O flip ATOM 1390 NE2 GLN A 517 8.082 3.864 -1.161 1.00 0.69 N flip ATOM 0 H GLN A 517 10.200 7.532 2.416 1.00 0.69 H new ATOM 0 HA GLN A 517 11.471 6.781 -0.108 1.00 0.69 H new ATOM 0 HB2 GLN A 517 8.910 5.662 0.939 1.00 0.69 H new ATOM 0 HB3 GLN A 517 8.925 6.232 -0.718 1.00 0.69 H new ATOM 0 HG2 GLN A 517 10.891 4.754 -1.208 1.00 0.69 H new ATOM 0 HG3 GLN A 517 10.872 4.181 0.448 1.00 0.69 H new ATOM 0 HE21 GLN A 517 7.868 4.850 -1.308 1.00 0.69 H new ATOM 0 HE22 GLN A 517 7.384 3.153 -1.377 1.00 0.69 H new ATOM 1520 N ARG A 527 6.967 -3.951 -6.589 1.00 0.46 N ATOM 1521 CA ARG A 527 5.942 -4.693 -5.881 1.00 0.46 C ATOM 1522 C ARG A 527 5.673 -3.976 -4.574 1.00 0.46 C ATOM 1523 O ARG A 527 6.588 -3.569 -3.849 1.00 0.46 O ATOM 1524 CB ARG A 527 6.398 -6.158 -5.623 1.00 0.46 C ATOM 1525 CG ARG A 527 5.506 -6.974 -4.664 1.00 0.46 C ATOM 1526 CD ARG A 527 5.791 -8.480 -4.700 1.00 0.46 C ATOM 1527 NE ARG A 527 4.880 -9.143 -3.703 1.00 0.46 N ATOM 1528 CZ ARG A 527 4.868 -10.494 -3.478 1.00 0.46 C ATOM 1529 NH1 ARG A 527 5.700 -11.327 -4.167 1.00 0.46 N ATOM 1530 NH2 ARG A 527 4.006 -11.011 -2.553 1.00 0.46 N ATOM 0 HA ARG A 527 5.032 -4.741 -6.479 1.00 0.46 H new ATOM 0 HB2 ARG A 527 6.444 -6.679 -6.579 1.00 0.46 H new ATOM 0 HB3 ARG A 527 7.411 -6.139 -5.221 1.00 0.46 H new ATOM 0 HG2 ARG A 527 5.650 -6.609 -3.647 1.00 0.46 H new ATOM 0 HG3 ARG A 527 4.460 -6.804 -4.919 1.00 0.46 H new ATOM 0 HD2 ARG A 527 5.618 -8.878 -5.700 1.00 0.46 H new ATOM 0 HD3 ARG A 527 6.835 -8.678 -4.455 1.00 0.46 H new ATOM 0 HE ARG A 527 4.239 -8.557 -3.168 1.00 0.46 H new ATOM 0 HH11 ARG A 527 6.343 -10.946 -4.861 1.00 0.46 H new ATOM 0 HH12 ARG A 527 5.679 -12.331 -3.988 1.00 0.46 H new ATOM 0 HH21 ARG A 527 3.380 -10.392 -2.038 1.00 0.46 H new ATOM 0 HH22 ARG A 527 3.989 -12.016 -2.378 1.00 0.46 H new ATOM 1544 N THR A 528 4.368 -3.819 -4.249 1.00 0.24 N ATOM 1545 CA THR A 528 3.866 -3.128 -3.084 1.00 0.24 C ATOM 1546 C THR A 528 2.875 -4.045 -2.415 1.00 0.24 C ATOM 1547 O THR A 528 1.984 -4.579 -3.069 1.00 0.24 O ATOM 1548 CB THR A 528 3.138 -1.863 -3.523 1.00 0.24 C ATOM 1549 OG1 THR A 528 3.996 -1.043 -4.309 1.00 0.24 O ATOM 1550 CG2 THR A 528 2.661 -1.058 -2.307 1.00 0.24 C ATOM 0 H THR A 528 3.620 -4.195 -4.831 1.00 0.24 H new ATOM 0 HA THR A 528 4.681 -2.862 -2.411 1.00 0.24 H new ATOM 0 HB THR A 528 2.275 -2.167 -4.116 1.00 0.24 H new ATOM 0 HG1 THR A 528 3.653 -0.125 -4.318 1.00 0.24 H new ATOM 0 HG21 THR A 528 2.144 -0.160 -2.645 1.00 0.24 H new ATOM 0 HG22 THR A 528 1.980 -1.666 -1.712 1.00 0.24 H new ATOM 0 HG23 THR A 528 3.520 -0.775 -1.698 1.00 0.24 H new ATOM 1558 N ALA A 529 2.950 -4.252 -1.080 1.00 0.22 N ATOM 1559 CA ALA A 529 1.945 -5.095 -0.456 1.00 0.22 C ATOM 1560 C ALA A 529 1.810 -4.708 0.987 1.00 0.22 C ATOM 1561 O ALA A 529 2.804 -4.455 1.659 1.00 0.22 O ATOM 1562 CB ALA A 529 2.294 -6.607 -0.542 1.00 0.22 C ATOM 0 H ALA A 529 3.659 -3.865 -0.457 1.00 0.22 H new ATOM 0 HA ALA A 529 1.010 -4.943 -0.996 1.00 0.22 H new ATOM 0 HB1 ALA A 529 1.509 -7.190 -0.060 1.00 0.22 H new ATOM 0 HB2 ALA A 529 2.375 -6.903 -1.588 1.00 0.22 H new ATOM 0 HB3 ALA A 529 3.243 -6.791 -0.038 1.00 0.22 H new ATOM 1568 N LEU A 530 0.572 -4.701 1.533 1.00 0.44 N ATOM 1569 CA LEU A 530 0.259 -4.510 2.937 1.00 0.44 C ATOM 1570 C LEU A 530 0.057 -5.877 3.632 1.00 0.44 C ATOM 1571 O LEU A 530 -0.610 -6.780 3.102 1.00 0.44 O ATOM 1572 CB LEU A 530 -0.969 -3.535 3.001 1.00 0.44 C ATOM 1573 CG LEU A 530 -1.667 -3.236 4.351 1.00 0.44 C ATOM 1574 CD1 LEU A 530 -2.797 -4.253 4.616 1.00 0.44 C ATOM 1575 CD2 LEU A 530 -0.717 -3.088 5.550 1.00 0.44 C ATOM 0 H LEU A 530 -0.264 -4.836 0.965 1.00 0.44 H new ATOM 0 HA LEU A 530 1.074 -4.049 3.495 1.00 0.44 H new ATOM 0 HB2 LEU A 530 -0.643 -2.580 2.589 1.00 0.44 H new ATOM 0 HB3 LEU A 530 -1.729 -3.930 2.327 1.00 0.44 H new ATOM 0 HG LEU A 530 -2.108 -2.245 4.246 1.00 0.44 H new ATOM 0 HD11 LEU A 530 -3.275 -4.026 5.569 1.00 0.44 H new ATOM 0 HD12 LEU A 530 -3.535 -4.193 3.816 1.00 0.44 H new ATOM 0 HD13 LEU A 530 -2.380 -5.260 4.650 1.00 0.44 H new ATOM 0 HD21 LEU A 530 -1.296 -2.880 6.450 1.00 0.44 H new ATOM 0 HD22 LEU A 530 -0.155 -4.012 5.685 1.00 0.44 H new ATOM 0 HD23 LEU A 530 -0.025 -2.266 5.366 1.00 0.44 H new ATOM 1587 N ILE A 531 0.603 -5.998 4.898 1.00 0.48 N ATOM 1588 CA ILE A 531 0.469 -7.073 5.880 1.00 0.48 C ATOM 1589 C ILE A 531 -0.602 -6.587 6.804 1.00 0.48 C ATOM 1590 O ILE A 531 -0.456 -5.499 7.377 1.00 0.48 O ATOM 1591 CB ILE A 531 1.703 -7.283 6.777 1.00 0.48 C ATOM 1592 CG1 ILE A 531 2.961 -7.539 5.957 1.00 0.48 C ATOM 1593 CG2 ILE A 531 1.538 -8.390 7.826 1.00 0.48 C ATOM 1594 CD1 ILE A 531 2.854 -8.573 4.833 1.00 0.48 C ATOM 0 H ILE A 531 1.201 -5.256 5.262 1.00 0.48 H new ATOM 0 HA ILE A 531 0.290 -8.006 5.346 1.00 0.48 H new ATOM 0 HB ILE A 531 1.806 -6.344 7.321 1.00 0.48 H new ATOM 0 HG12 ILE A 531 3.279 -6.593 5.519 1.00 0.48 H new ATOM 0 HG13 ILE A 531 3.751 -7.857 6.637 1.00 0.48 H new ATOM 0 HG21 ILE A 531 2.452 -8.472 8.415 1.00 0.48 H new ATOM 0 HG22 ILE A 531 0.703 -8.147 8.483 1.00 0.48 H new ATOM 0 HG23 ILE A 531 1.342 -9.339 7.326 1.00 0.48 H new ATOM 0 HD11 ILE A 531 3.816 -8.662 4.327 1.00 0.48 H new ATOM 0 HD12 ILE A 531 2.574 -9.539 5.253 1.00 0.48 H new ATOM 0 HD13 ILE A 531 2.096 -8.255 4.117 1.00 0.48 H new ATOM 1606 N ASN A 532 -1.671 -7.409 6.965 1.00 0.42 N ATOM 1607 CA ASN A 532 -2.879 -7.183 7.743 1.00 0.42 C ATOM 1608 C ASN A 532 -2.720 -6.897 9.238 1.00 0.42 C ATOM 1609 O ASN A 532 -1.655 -6.725 9.827 1.00 0.42 O ATOM 1610 CB ASN A 532 -3.991 -8.258 7.421 1.00 0.42 C ATOM 1611 CG ASN A 532 -4.411 -9.373 8.410 1.00 0.42 C ATOM 1612 OD1 ASN A 532 -5.379 -9.172 9.149 1.00 0.42 O ATOM 1613 ND2 ASN A 532 -3.684 -10.509 8.447 1.00 0.42 N ATOM 0 H ASN A 532 -1.694 -8.320 6.507 1.00 0.42 H new ATOM 0 HA ASN A 532 -3.224 -6.212 7.387 1.00 0.42 H new ATOM 0 HB2 ASN A 532 -4.897 -7.701 7.183 1.00 0.42 H new ATOM 0 HB3 ASN A 532 -3.677 -8.761 6.506 1.00 0.42 H new ATOM 0 HD21 ASN A 532 -3.926 -11.248 9.107 1.00 0.42 H new ATOM 0 HD22 ASN A 532 -2.892 -10.628 7.815 1.00 0.42 H new ATOM 1620 N SER A 533 -3.883 -6.916 9.895 1.00 0.53 N ATOM 1621 CA SER A 533 -4.196 -6.788 11.298 1.00 0.53 C ATOM 1622 C SER A 533 -3.748 -7.995 12.174 1.00 0.53 C ATOM 1623 O SER A 533 -3.904 -7.953 13.395 1.00 0.53 O ATOM 1624 CB SER A 533 -5.771 -6.703 11.291 1.00 0.53 C ATOM 1625 OG SER A 533 -6.479 -6.800 12.526 1.00 0.53 O ATOM 0 H SER A 533 -4.744 -7.041 9.363 1.00 0.53 H new ATOM 0 HA SER A 533 -3.676 -5.935 11.734 1.00 0.53 H new ATOM 0 HB2 SER A 533 -6.046 -5.755 10.829 1.00 0.53 H new ATOM 0 HB3 SER A 533 -6.139 -7.495 10.639 1.00 0.53 H new ATOM 0 HG SER A 533 -7.360 -7.200 12.368 1.00 0.53 H new ATOM 1631 N THR A 534 -3.251 -9.106 11.560 1.00 0.57 N ATOM 1632 CA THR A 534 -2.848 -10.361 12.231 1.00 0.57 C ATOM 1633 C THR A 534 -1.527 -10.909 11.704 1.00 0.57 C ATOM 1634 O THR A 534 -1.062 -11.947 12.162 1.00 0.57 O ATOM 1635 CB THR A 534 -3.891 -11.505 12.198 1.00 0.57 C ATOM 1636 OG1 THR A 534 -4.361 -11.801 10.889 1.00 0.57 O ATOM 1637 CG2 THR A 534 -5.122 -11.139 13.042 1.00 0.57 C ATOM 0 H THR A 534 -3.118 -9.146 10.549 1.00 0.57 H new ATOM 0 HA THR A 534 -2.748 -10.045 13.269 1.00 0.57 H new ATOM 0 HB THR A 534 -3.371 -12.377 12.595 1.00 0.57 H new ATOM 0 HG1 THR A 534 -4.087 -12.709 10.641 1.00 0.57 H new ATOM 0 HG21 THR A 534 -5.843 -11.955 13.006 1.00 0.57 H new ATOM 0 HG22 THR A 534 -4.818 -10.969 14.075 1.00 0.57 H new ATOM 0 HG23 THR A 534 -5.579 -10.233 12.644 1.00 0.57 H new ATOM 1645 N GLY A 535 -0.906 -10.226 10.715 1.00 0.49 N ATOM 1646 CA GLY A 535 0.356 -10.595 10.084 1.00 0.49 C ATOM 1647 C GLY A 535 0.362 -11.613 8.971 1.00 0.49 C ATOM 1648 O GLY A 535 1.262 -12.434 8.849 1.00 0.49 O ATOM 0 H GLY A 535 -1.298 -9.368 10.327 1.00 0.49 H new ATOM 0 HA2 GLY A 535 0.805 -9.682 9.693 1.00 0.49 H new ATOM 0 HA3 GLY A 535 1.017 -10.965 10.868 1.00 0.49 H new ATOM 1652 N GLU A 536 -0.647 -11.532 8.085 1.00 0.56 N ATOM 1653 CA GLU A 536 -0.817 -12.262 6.852 1.00 0.56 C ATOM 1654 C GLU A 536 -0.945 -11.137 5.872 1.00 0.56 C ATOM 1655 O GLU A 536 -1.573 -10.136 6.206 1.00 0.56 O ATOM 1656 CB GLU A 536 -2.119 -13.098 6.719 1.00 0.56 C ATOM 1657 CG GLU A 536 -2.119 -14.254 7.726 1.00 0.56 C ATOM 1658 CD GLU A 536 -3.546 -14.671 8.064 1.00 0.56 C ATOM 1659 OE1 GLU A 536 -4.275 -15.103 7.129 1.00 0.56 O ATOM 1660 OE2 GLU A 536 -3.929 -14.565 9.259 1.00 0.56 O ATOM 0 H GLU A 536 -1.425 -10.892 8.244 1.00 0.56 H new ATOM 0 HA GLU A 536 -0.008 -12.983 6.737 1.00 0.56 H new ATOM 0 HB2 GLU A 536 -2.987 -12.460 6.888 1.00 0.56 H new ATOM 0 HB3 GLU A 536 -2.205 -13.490 5.706 1.00 0.56 H new ATOM 0 HG2 GLU A 536 -1.574 -15.103 7.313 1.00 0.56 H new ATOM 0 HG3 GLU A 536 -1.598 -13.952 8.634 1.00 0.56 H new ATOM 1667 N GLU A 537 -0.432 -11.306 4.644 1.00 0.57 N ATOM 1668 CA GLU A 537 -0.596 -10.395 3.507 1.00 0.57 C ATOM 1669 C GLU A 537 -2.020 -10.462 2.956 1.00 0.57 C ATOM 1670 O GLU A 537 -2.554 -11.533 2.671 1.00 0.57 O ATOM 1671 CB GLU A 537 0.420 -10.683 2.386 1.00 0.57 C ATOM 1672 CG GLU A 537 0.590 -9.528 1.384 1.00 0.57 C ATOM 1673 CD GLU A 537 1.520 -9.975 0.258 1.00 0.57 C ATOM 1674 OE1 GLU A 537 2.731 -10.183 0.539 1.00 0.57 O ATOM 1675 OE2 GLU A 537 1.036 -10.114 -0.896 1.00 0.57 O ATOM 0 H GLU A 537 0.135 -12.121 4.408 1.00 0.57 H new ATOM 0 HA GLU A 537 -0.407 -9.387 3.877 1.00 0.57 H new ATOM 0 HB2 GLU A 537 1.388 -10.906 2.835 1.00 0.57 H new ATOM 0 HB3 GLU A 537 0.106 -11.576 1.846 1.00 0.57 H new ATOM 0 HG2 GLU A 537 -0.379 -9.237 0.978 1.00 0.57 H new ATOM 0 HG3 GLU A 537 1.001 -8.652 1.886 1.00 0.57 H new ATOM 1682 N VAL A 538 -2.680 -9.288 2.864 1.00 0.44 N ATOM 1683 CA VAL A 538 -4.100 -9.199 2.485 1.00 0.44 C ATOM 1684 C VAL A 538 -4.415 -8.251 1.359 1.00 0.44 C ATOM 1685 O VAL A 538 -5.489 -8.303 0.787 1.00 0.44 O ATOM 1686 CB VAL A 538 -5.031 -8.887 3.667 1.00 0.44 C ATOM 1687 CG1 VAL A 538 -4.954 -9.989 4.751 1.00 0.44 C ATOM 1688 CG2 VAL A 538 -4.846 -7.443 4.187 1.00 0.44 C ATOM 0 H VAL A 538 -2.245 -8.384 3.049 1.00 0.44 H new ATOM 0 HA VAL A 538 -4.295 -10.208 2.121 1.00 0.44 H new ATOM 0 HB VAL A 538 -6.061 -8.912 3.312 1.00 0.44 H new ATOM 0 HG11 VAL A 538 -5.624 -9.738 5.573 1.00 0.44 H new ATOM 0 HG12 VAL A 538 -5.251 -10.945 4.320 1.00 0.44 H new ATOM 0 HG13 VAL A 538 -3.933 -10.061 5.125 1.00 0.44 H new ATOM 0 HG21 VAL A 538 -5.524 -7.267 5.022 1.00 0.44 H new ATOM 0 HG22 VAL A 538 -3.817 -7.305 4.520 1.00 0.44 H new ATOM 0 HG23 VAL A 538 -5.066 -6.737 3.386 1.00 0.44 H new ATOM 1698 N ALA A 539 -3.548 -7.298 1.023 1.00 0.31 N ATOM 1699 CA ALA A 539 -3.871 -6.365 -0.040 1.00 0.31 C ATOM 1700 C ALA A 539 -2.574 -5.943 -0.687 1.00 0.31 C ATOM 1701 O ALA A 539 -1.710 -5.272 -0.114 1.00 0.31 O ATOM 1702 CB ALA A 539 -4.851 -5.255 0.379 1.00 0.31 C ATOM 0 H ALA A 539 -2.639 -7.157 1.463 1.00 0.31 H new ATOM 0 HA ALA A 539 -4.469 -6.846 -0.814 1.00 0.31 H new ATOM 0 HB1 ALA A 539 -5.042 -4.599 -0.470 1.00 0.31 H new ATOM 0 HB2 ALA A 539 -5.788 -5.703 0.710 1.00 0.31 H new ATOM 0 HB3 ALA A 539 -4.418 -4.676 1.195 1.00 0.31 H new ATOM 1708 N MET A 540 -2.440 -6.456 -1.928 1.00 0.46 N ATOM 1709 CA MET A 540 -1.265 -6.444 -2.784 1.00 0.46 C ATOM 1710 C MET A 540 -1.492 -5.708 -4.090 1.00 0.46 C ATOM 1711 O MET A 540 -2.576 -5.773 -4.664 1.00 0.46 O ATOM 1712 CB MET A 540 -0.862 -7.945 -2.904 1.00 0.46 C ATOM 1713 CG MET A 540 -0.449 -8.620 -4.234 1.00 0.46 C ATOM 1714 SD MET A 540 1.300 -9.059 -4.369 1.00 0.46 S ATOM 1715 CE MET A 540 1.699 -7.590 -5.328 1.00 0.46 C ATOM 0 H MET A 540 -3.224 -6.925 -2.382 1.00 0.46 H new ATOM 0 HA MET A 540 -0.437 -5.869 -2.370 1.00 0.46 H new ATOM 0 HB2 MET A 540 -0.031 -8.095 -2.214 1.00 0.46 H new ATOM 0 HB3 MET A 540 -1.704 -8.519 -2.518 1.00 0.46 H new ATOM 0 HG2 MET A 540 -1.044 -9.524 -4.363 1.00 0.46 H new ATOM 0 HG3 MET A 540 -0.703 -7.951 -5.056 1.00 0.46 H new ATOM 0 HE1 MET A 540 2.686 -7.705 -5.777 1.00 0.46 H new ATOM 0 HE2 MET A 540 0.956 -7.456 -6.114 1.00 0.46 H new ATOM 0 HE3 MET A 540 1.697 -6.717 -4.675 1.00 0.46 H new ATOM 1725 N ARG A 541 -0.441 -4.980 -4.560 1.00 0.63 N ATOM 1726 CA ARG A 541 -0.346 -4.161 -5.765 1.00 0.63 C ATOM 1727 C ARG A 541 1.002 -4.419 -6.449 1.00 0.63 C ATOM 1728 O ARG A 541 2.058 -4.290 -5.828 1.00 0.63 O ATOM 1729 CB ARG A 541 -0.436 -2.667 -5.316 1.00 0.63 C ATOM 1730 CG ARG A 541 -0.084 -1.544 -6.322 1.00 0.63 C ATOM 1731 CD ARG A 541 0.129 -0.209 -5.586 1.00 0.63 C ATOM 1732 NE ARG A 541 0.387 0.888 -6.588 1.00 0.63 N ATOM 1733 CZ ARG A 541 1.311 1.886 -6.428 1.00 0.63 C ATOM 1734 NH1 ARG A 541 2.172 1.895 -5.371 1.00 0.63 N ATOM 1735 NH2 ARG A 541 1.379 2.885 -7.356 1.00 0.63 N ATOM 0 H ARG A 541 0.437 -4.962 -4.042 1.00 0.63 H new ATOM 0 HA ARG A 541 -1.144 -4.400 -6.468 1.00 0.63 H new ATOM 0 HB2 ARG A 541 -1.456 -2.490 -4.973 1.00 0.63 H new ATOM 0 HB3 ARG A 541 0.216 -2.546 -4.451 1.00 0.63 H new ATOM 0 HG2 ARG A 541 0.818 -1.810 -6.873 1.00 0.63 H new ATOM 0 HG3 ARG A 541 -0.885 -1.439 -7.054 1.00 0.63 H new ATOM 0 HD2 ARG A 541 -0.749 0.031 -4.987 1.00 0.63 H new ATOM 0 HD3 ARG A 541 0.971 -0.292 -4.898 1.00 0.63 H new ATOM 0 HE ARG A 541 -0.166 0.887 -7.445 1.00 0.63 H new ATOM 0 HH11 ARG A 541 2.137 1.147 -4.678 1.00 0.63 H new ATOM 0 HH12 ARG A 541 2.852 2.649 -5.273 1.00 0.63 H new ATOM 0 HH21 ARG A 541 0.746 2.882 -8.156 1.00 0.63 H new ATOM 0 HH22 ARG A 541 2.062 3.635 -7.249 1.00 0.63 H new ATOM 1749 N LYS A 542 1.059 -4.768 -7.762 1.00 0.41 N ATOM 1750 CA LYS A 542 2.320 -4.948 -8.471 1.00 0.41 C ATOM 1751 C LYS A 542 2.162 -4.313 -9.827 1.00 0.41 C ATOM 1752 O LYS A 542 1.200 -4.573 -10.555 1.00 0.41 O ATOM 1753 CB LYS A 542 2.751 -6.436 -8.615 1.00 0.41 C ATOM 1754 CG LYS A 542 4.241 -6.656 -8.950 1.00 0.41 C ATOM 1755 CD LYS A 542 4.717 -8.117 -8.832 1.00 0.41 C ATOM 1756 CE LYS A 542 4.333 -9.055 -9.991 1.00 0.41 C ATOM 1757 NZ LYS A 542 2.890 -9.391 -10.008 1.00 0.41 N ATOM 0 H LYS A 542 0.233 -4.927 -8.339 1.00 0.41 H new ATOM 0 HA LYS A 542 3.113 -4.477 -7.891 1.00 0.41 H new ATOM 0 HB2 LYS A 542 2.523 -6.956 -7.684 1.00 0.41 H new ATOM 0 HB3 LYS A 542 2.147 -6.899 -9.395 1.00 0.41 H new ATOM 0 HG2 LYS A 542 4.426 -6.308 -9.966 1.00 0.41 H new ATOM 0 HG3 LYS A 542 4.844 -6.037 -8.286 1.00 0.41 H new ATOM 0 HD2 LYS A 542 5.803 -8.117 -8.738 1.00 0.41 H new ATOM 0 HD3 LYS A 542 4.317 -8.534 -7.908 1.00 0.41 H new ATOM 0 HE2 LYS A 542 4.602 -8.585 -10.937 1.00 0.41 H new ATOM 0 HE3 LYS A 542 4.914 -9.974 -9.915 1.00 0.41 H new ATOM 0 HZ1 LYS A 542 2.759 -10.339 -10.416 1.00 0.41 H new ATOM 0 HZ2 LYS A 542 2.519 -9.378 -9.036 1.00 0.41 H new ATOM 0 HZ3 LYS A 542 2.378 -8.692 -10.583 1.00 0.41 H new ATOM 1771 N LEU A 543 3.128 -3.454 -10.223 1.00 0.31 N ATOM 1772 CA LEU A 543 3.114 -2.834 -11.549 1.00 0.31 C ATOM 1773 C LEU A 543 4.491 -3.151 -12.080 1.00 0.31 C ATOM 1774 O LEU A 543 5.486 -3.070 -11.355 1.00 0.31 O ATOM 1775 CB LEU A 543 2.706 -1.348 -11.551 1.00 0.31 C ATOM 1776 CG LEU A 543 1.250 -1.100 -11.071 1.00 0.31 C ATOM 1777 CD1 LEU A 543 1.140 -0.138 -9.888 1.00 0.31 C ATOM 1778 CD2 LEU A 543 0.328 -0.610 -12.198 1.00 0.31 C ATOM 0 H LEU A 543 3.919 -3.181 -9.640 1.00 0.31 H new ATOM 0 HA LEU A 543 2.336 -3.226 -12.204 1.00 0.31 H new ATOM 0 HB2 LEU A 543 3.390 -0.792 -10.910 1.00 0.31 H new ATOM 0 HB3 LEU A 543 2.819 -0.951 -12.560 1.00 0.31 H new ATOM 0 HG LEU A 543 0.919 -2.083 -10.736 1.00 0.31 H new ATOM 0 HD11 LEU A 543 0.092 -0.018 -9.613 1.00 0.31 H new ATOM 0 HD12 LEU A 543 1.694 -0.540 -9.040 1.00 0.31 H new ATOM 0 HD13 LEU A 543 1.556 0.830 -10.167 1.00 0.31 H new ATOM 0 HD21 LEU A 543 -0.676 -0.454 -11.804 1.00 0.31 H new ATOM 0 HD22 LEU A 543 0.711 0.328 -12.599 1.00 0.31 H new ATOM 0 HD23 LEU A 543 0.294 -1.357 -12.991 1.00 0.31 H new