USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 403 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 649 GLN : amide:sc= -1.03 X(o=-1,f=-0.69) USER MOD Set 1.2: A 652 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Single : A 632 THR OG1 : rot -23:sc= 0.191 USER MOD Single : A 635 THR OG1 : rot 151:sc= -2.36! USER MOD Single : A 641 GLN : amide:sc= -2.3! X(o=-2.3!,f=-2.8) USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 658 GLN : amide:sc= -2.9! C(o=-2.9!,f=-8.6!) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 663 CYS SG : rot 180:sc= 0.0153 USER MOD Single : A 667 ASN :FLIP amide:sc= -0.906! C(o=-5.4!,f=-0.91!) USER MOD Single : A 668 GLN :FLIP amide:sc= -0.673 F(o=-4.1!,f=-0.67) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : A 675 SER OG : rot -95:sc= 1.27 USER MOD Single : A 677 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 632 -1.440 -1.010 -7.940 1.00 0.00 N ATOM 83 CA THR A 632 -2.328 -1.823 -7.091 1.00 0.00 C ATOM 84 C THR A 632 -1.599 -2.998 -6.428 1.00 0.00 C ATOM 85 O THR A 632 -1.855 -3.327 -5.268 1.00 0.00 O ATOM 86 CB THR A 632 -3.526 -2.378 -7.891 1.00 0.00 C ATOM 87 OG1 THR A 632 -3.070 -2.976 -9.111 1.00 0.00 O ATOM 88 CG2 THR A 632 -4.536 -1.281 -8.201 1.00 0.00 C ATOM 0 HA THR A 632 -2.683 -1.148 -6.312 1.00 0.00 H new ATOM 0 HB THR A 632 -4.018 -3.134 -7.279 1.00 0.00 H new ATOM 0 HG1 THR A 632 -2.201 -2.595 -9.357 1.00 0.00 H new ATOM 0 HG21 THR A 632 -5.368 -1.702 -8.765 1.00 0.00 H new ATOM 0 HG22 THR A 632 -4.908 -0.855 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 632 -4.056 -0.500 -8.791 1.00 0.00 H new ATOM 96 N ARG A 633 -0.709 -3.641 -7.195 1.00 0.00 N ATOM 97 CA ARG A 633 0.055 -4.814 -6.736 1.00 0.00 C ATOM 98 C ARG A 633 0.876 -4.566 -5.455 1.00 0.00 C ATOM 99 O ARG A 633 0.845 -5.387 -4.539 1.00 0.00 O ATOM 100 CB ARG A 633 0.992 -5.305 -7.852 1.00 0.00 C ATOM 101 CG ARG A 633 0.277 -5.926 -9.053 1.00 0.00 C ATOM 102 CD ARG A 633 -0.040 -4.895 -10.131 1.00 0.00 C ATOM 103 NE ARG A 633 1.163 -4.447 -10.847 1.00 0.00 N ATOM 104 CZ ARG A 633 1.161 -3.609 -11.894 1.00 0.00 C ATOM 105 NH1 ARG A 633 0.024 -3.108 -12.374 1.00 0.00 N ATOM 106 NH2 ARG A 633 2.310 -3.272 -12.463 1.00 0.00 N ATOM 0 H ARG A 633 -0.496 -3.364 -8.153 1.00 0.00 H new ATOM 0 HA ARG A 633 -0.687 -5.573 -6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 633 1.595 -4.466 -8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 633 1.680 -6.040 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 633 0.900 -6.713 -9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 633 -0.648 -6.397 -8.720 1.00 0.00 H new ATOM 0 HD2 ARG A 633 -0.746 -5.323 -10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 633 -0.530 -4.035 -9.675 1.00 0.00 H new ATOM 0 HE ARG A 633 2.064 -4.799 -10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 633 -0.866 -3.360 -11.944 1.00 0.00 H new ATOM 0 HH12 ARG A 633 0.043 -2.472 -13.171 1.00 0.00 H new ATOM 0 HH21 ARG A 633 3.187 -3.650 -12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 633 2.317 -2.635 -13.260 1.00 0.00 H new ATOM 120 N GLU A 634 1.560 -3.415 -5.363 1.00 0.00 N ATOM 121 CA GLU A 634 2.408 -3.103 -4.238 1.00 0.00 C ATOM 122 C GLU A 634 1.581 -2.785 -3.013 1.00 0.00 C ATOM 123 O GLU A 634 1.903 -3.231 -1.941 1.00 0.00 O ATOM 124 CB GLU A 634 3.346 -1.933 -4.578 1.00 0.00 C ATOM 125 CG GLU A 634 4.386 -2.258 -5.653 1.00 0.00 C ATOM 126 CD GLU A 634 3.833 -2.155 -7.064 1.00 0.00 C ATOM 127 OE1 GLU A 634 3.891 -1.051 -7.645 1.00 0.00 O ATOM 128 OE2 GLU A 634 3.343 -3.178 -7.586 1.00 0.00 O ATOM 0 H GLU A 634 1.530 -2.685 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 634 3.017 -3.979 -4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 634 2.747 -1.086 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 634 3.863 -1.620 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 634 5.232 -1.578 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 634 4.766 -3.267 -5.490 1.00 0.00 H new ATOM 135 N THR A 635 0.488 -2.049 -3.185 1.00 0.00 N ATOM 136 CA THR A 635 -0.335 -1.650 -2.043 1.00 0.00 C ATOM 137 C THR A 635 -1.165 -2.805 -1.410 1.00 0.00 C ATOM 138 O THR A 635 -0.825 -3.320 -0.325 1.00 0.00 O ATOM 139 CB THR A 635 -1.283 -0.486 -2.494 1.00 0.00 C ATOM 140 OG1 THR A 635 -2.270 -0.220 -1.495 1.00 0.00 O ATOM 141 CG2 THR A 635 -1.988 -0.761 -3.826 1.00 0.00 C ATOM 0 H THR A 635 0.153 -1.719 -4.090 1.00 0.00 H new ATOM 0 HA THR A 635 0.348 -1.327 -1.257 1.00 0.00 H new ATOM 0 HB THR A 635 -0.639 0.382 -2.632 1.00 0.00 H new ATOM 0 HG1 THR A 635 -2.526 0.725 -1.532 1.00 0.00 H new ATOM 0 HG21 THR A 635 -2.629 0.084 -4.080 1.00 0.00 H new ATOM 0 HG22 THR A 635 -1.243 -0.900 -4.610 1.00 0.00 H new ATOM 0 HG23 THR A 635 -2.594 -1.662 -3.737 1.00 0.00 H new ATOM 149 N GLU A 636 -2.172 -3.277 -2.138 1.00 0.00 N ATOM 150 CA GLU A 636 -3.058 -4.324 -1.645 1.00 0.00 C ATOM 151 C GLU A 636 -2.441 -5.729 -1.681 1.00 0.00 C ATOM 152 O GLU A 636 -2.649 -6.508 -0.753 1.00 0.00 O ATOM 153 CB GLU A 636 -4.449 -4.220 -2.285 1.00 0.00 C ATOM 154 CG GLU A 636 -4.482 -4.310 -3.812 1.00 0.00 C ATOM 155 CD GLU A 636 -5.003 -5.647 -4.305 1.00 0.00 C ATOM 156 OE1 GLU A 636 -4.289 -6.658 -4.145 1.00 0.00 O ATOM 157 OE2 GLU A 636 -6.125 -5.681 -4.851 1.00 0.00 O ATOM 0 H GLU A 636 -2.395 -2.948 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 636 -3.200 -4.147 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -5.077 -5.013 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -4.898 -3.273 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -5.110 -3.511 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -3.478 -4.148 -4.204 1.00 0.00 H new ATOM 164 N ARG A 637 -1.694 -6.056 -2.750 1.00 0.00 N ATOM 165 CA ARG A 637 -1.060 -7.378 -2.869 1.00 0.00 C ATOM 166 C ARG A 637 0.122 -7.529 -1.903 1.00 0.00 C ATOM 167 O ARG A 637 0.303 -8.603 -1.324 1.00 0.00 O ATOM 168 CB ARG A 637 -0.613 -7.674 -4.303 1.00 0.00 C ATOM 169 CG ARG A 637 -1.757 -7.961 -5.263 1.00 0.00 C ATOM 170 CD ARG A 637 -1.248 -8.550 -6.568 1.00 0.00 C ATOM 171 NE ARG A 637 -2.323 -8.723 -7.552 1.00 0.00 N ATOM 172 CZ ARG A 637 -2.160 -9.250 -8.774 1.00 0.00 C ATOM 173 NH1 ARG A 637 -0.966 -9.668 -9.191 1.00 0.00 N ATOM 174 NH2 ARG A 637 -3.204 -9.358 -9.585 1.00 0.00 N ATOM 0 H ARG A 637 -1.516 -5.430 -3.535 1.00 0.00 H new ATOM 0 HA ARG A 637 -1.821 -8.109 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 637 -0.043 -6.824 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 637 0.062 -8.530 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 637 -2.459 -8.653 -4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 637 -2.304 -7.040 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -0.478 -7.899 -6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 637 -0.778 -9.514 -6.371 1.00 0.00 H new ATOM 0 HE ARG A 637 -3.261 -8.421 -7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -0.155 -9.590 -8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.862 -10.066 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -4.124 -9.041 -9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -3.087 -9.758 -10.516 1.00 0.00 H new ATOM 188 N LEU A 638 0.930 -6.452 -1.738 1.00 0.00 N ATOM 189 CA LEU A 638 2.107 -6.468 -0.848 1.00 0.00 C ATOM 190 C LEU A 638 1.766 -6.957 0.558 1.00 0.00 C ATOM 191 O LEU A 638 2.297 -7.969 1.026 1.00 0.00 O ATOM 192 CB LEU A 638 2.749 -5.056 -0.803 1.00 0.00 C ATOM 193 CG LEU A 638 2.766 -4.278 0.550 1.00 0.00 C ATOM 194 CD1 LEU A 638 3.919 -3.327 0.560 1.00 0.00 C ATOM 195 CD2 LEU A 638 1.488 -3.477 0.812 1.00 0.00 C ATOM 0 H LEU A 638 0.783 -5.562 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 638 2.825 -7.178 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 638 3.781 -5.152 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 638 2.231 -4.435 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 638 2.851 -5.030 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 638 3.933 -2.782 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 638 4.850 -3.883 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 638 3.816 -2.621 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 638 1.571 -2.963 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 638 1.348 -2.744 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 638 0.633 -4.153 0.836 1.00 0.00 H new ATOM 207 N ARG A 639 0.876 -6.217 1.206 1.00 0.00 N ATOM 208 CA ARG A 639 0.455 -6.527 2.578 1.00 0.00 C ATOM 209 C ARG A 639 -0.413 -7.799 2.663 1.00 0.00 C ATOM 210 O ARG A 639 -0.237 -8.597 3.590 1.00 0.00 O ATOM 211 CB ARG A 639 -0.226 -5.304 3.202 1.00 0.00 C ATOM 212 CG ARG A 639 -0.619 -5.481 4.671 1.00 0.00 C ATOM 213 CD ARG A 639 -2.104 -5.777 4.822 1.00 0.00 C ATOM 214 NE ARG A 639 -2.488 -5.957 6.226 1.00 0.00 N ATOM 215 CZ ARG A 639 -3.714 -6.305 6.644 1.00 0.00 C ATOM 216 NH1 ARG A 639 -4.704 -6.517 5.777 1.00 0.00 N ATOM 217 NH2 ARG A 639 -3.949 -6.439 7.941 1.00 0.00 N ATOM 0 H ARG A 639 0.426 -5.393 0.807 1.00 0.00 H new ATOM 0 HA ARG A 639 1.346 -6.755 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 639 0.444 -4.448 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -1.120 -5.067 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -0.039 -6.294 5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -0.369 -4.577 5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -2.682 -4.960 4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -2.353 -6.677 4.260 1.00 0.00 H new ATOM 0 HE ARG A 639 -1.771 -5.807 6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -4.536 -6.415 4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -5.630 -6.781 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -3.200 -6.278 8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -4.879 -6.703 8.266 1.00 0.00 H new ATOM 231 N ARG A 640 -1.341 -7.985 1.710 1.00 0.00 N ATOM 232 CA ARG A 640 -2.215 -9.177 1.690 1.00 0.00 C ATOM 233 C ARG A 640 -1.388 -10.468 1.544 1.00 0.00 C ATOM 234 O ARG A 640 -1.672 -11.472 2.203 1.00 0.00 O ATOM 235 CB ARG A 640 -3.242 -9.075 0.555 1.00 0.00 C ATOM 236 CG ARG A 640 -4.566 -9.771 0.853 1.00 0.00 C ATOM 237 CD ARG A 640 -5.551 -9.629 -0.300 1.00 0.00 C ATOM 238 NE ARG A 640 -6.121 -8.277 -0.385 1.00 0.00 N ATOM 239 CZ ARG A 640 -7.039 -7.889 -1.283 1.00 0.00 C ATOM 240 NH1 ARG A 640 -7.514 -8.738 -2.193 1.00 0.00 N ATOM 241 NH2 ARG A 640 -7.484 -6.640 -1.266 1.00 0.00 N ATOM 0 H ARG A 640 -1.508 -7.331 0.945 1.00 0.00 H new ATOM 0 HA ARG A 640 -2.746 -9.217 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 640 -3.435 -8.023 0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 640 -2.813 -9.505 -0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 640 -4.385 -10.828 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 640 -5.003 -9.349 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 640 -5.047 -9.868 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 640 -6.356 -10.353 -0.178 1.00 0.00 H new ATOM 0 HE ARG A 640 -5.795 -7.583 0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 640 -7.180 -9.701 -2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 640 -8.212 -8.425 -2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 640 -7.128 -5.981 -0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 640 -8.182 -6.338 -1.946 1.00 0.00 H new ATOM 255 N GLN A 641 -0.369 -10.416 0.673 1.00 0.00 N ATOM 256 CA GLN A 641 0.525 -11.552 0.433 1.00 0.00 C ATOM 257 C GLN A 641 1.752 -11.482 1.363 1.00 0.00 C ATOM 258 O GLN A 641 1.803 -10.635 2.261 1.00 0.00 O ATOM 259 CB GLN A 641 0.950 -11.580 -1.046 1.00 0.00 C ATOM 260 CG GLN A 641 -0.082 -12.202 -1.982 1.00 0.00 C ATOM 261 CD GLN A 641 -1.244 -11.275 -2.293 1.00 0.00 C ATOM 262 OE1 GLN A 641 -1.196 -10.499 -3.247 1.00 0.00 O ATOM 263 NE2 GLN A 641 -2.297 -11.355 -1.487 1.00 0.00 N ATOM 0 H GLN A 641 -0.145 -9.589 0.120 1.00 0.00 H new ATOM 0 HA GLN A 641 -0.007 -12.477 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 641 1.153 -10.560 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 641 1.884 -12.135 -1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 641 0.407 -12.486 -2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 641 -0.466 -13.117 -1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 641 -2.294 -12.013 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 641 -3.109 -10.758 -1.648 1.00 0.00 H new ATOM 272 N LEU A 642 2.732 -12.374 1.144 1.00 0.00 N ATOM 273 CA LEU A 642 3.948 -12.430 1.970 1.00 0.00 C ATOM 274 C LEU A 642 5.023 -11.420 1.530 1.00 0.00 C ATOM 275 O LEU A 642 6.013 -11.224 2.243 1.00 0.00 O ATOM 276 CB LEU A 642 4.535 -13.850 1.947 1.00 0.00 C ATOM 277 CG LEU A 642 3.691 -14.929 2.639 1.00 0.00 C ATOM 278 CD1 LEU A 642 3.925 -16.283 1.987 1.00 0.00 C ATOM 279 CD2 LEU A 642 4.014 -14.998 4.127 1.00 0.00 C ATOM 0 H LEU A 642 2.705 -13.069 0.398 1.00 0.00 H new ATOM 0 HA LEU A 642 3.650 -12.160 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 642 4.687 -14.144 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 642 5.517 -13.825 2.418 1.00 0.00 H new ATOM 0 HG LEU A 642 2.640 -14.662 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 642 3.320 -17.038 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 642 3.645 -16.233 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 642 4.979 -16.549 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 642 3.404 -15.770 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 642 5.069 -15.239 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 642 3.801 -14.035 4.591 1.00 0.00 H new ATOM 291 N LEU A 643 4.825 -10.780 0.368 1.00 0.00 N ATOM 292 CA LEU A 643 5.792 -9.803 -0.149 1.00 0.00 C ATOM 293 C LEU A 643 5.356 -8.359 0.152 1.00 0.00 C ATOM 294 O LEU A 643 4.717 -7.696 -0.668 1.00 0.00 O ATOM 295 CB LEU A 643 6.074 -9.999 -1.675 1.00 0.00 C ATOM 296 CG LEU A 643 4.948 -10.561 -2.596 1.00 0.00 C ATOM 297 CD1 LEU A 643 4.747 -12.058 -2.385 1.00 0.00 C ATOM 298 CD2 LEU A 643 3.626 -9.815 -2.425 1.00 0.00 C ATOM 0 H LEU A 643 4.009 -10.921 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 643 6.729 -9.985 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 643 6.375 -9.032 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 643 6.933 -10.664 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 643 5.283 -10.399 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 643 3.955 -12.415 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 643 5.673 -12.585 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 643 4.469 -12.245 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 643 2.877 -10.246 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 643 3.290 -9.903 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 643 3.767 -8.763 -2.672 1.00 0.00 H new ATOM 310 N GLU A 644 5.730 -7.885 1.349 1.00 0.00 N ATOM 311 CA GLU A 644 5.412 -6.524 1.816 1.00 0.00 C ATOM 312 C GLU A 644 6.405 -5.510 1.199 1.00 0.00 C ATOM 313 O GLU A 644 7.438 -5.180 1.796 1.00 0.00 O ATOM 314 CB GLU A 644 5.456 -6.526 3.351 1.00 0.00 C ATOM 315 CG GLU A 644 4.130 -6.179 4.004 1.00 0.00 C ATOM 316 CD GLU A 644 4.266 -5.903 5.488 1.00 0.00 C ATOM 317 OE1 GLU A 644 4.218 -6.869 6.278 1.00 0.00 O ATOM 318 OE2 GLU A 644 4.419 -4.721 5.862 1.00 0.00 O ATOM 0 H GLU A 644 6.263 -8.434 2.024 1.00 0.00 H new ATOM 0 HA GLU A 644 4.415 -6.221 1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 644 5.772 -7.511 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 644 6.211 -5.814 3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 644 3.705 -5.304 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 644 3.429 -7.000 3.854 1.00 0.00 H new ATOM 325 N VAL A 645 6.075 -5.040 -0.024 1.00 0.00 N ATOM 326 CA VAL A 645 6.983 -4.164 -0.805 1.00 0.00 C ATOM 327 C VAL A 645 7.111 -2.640 -0.396 1.00 0.00 C ATOM 328 O VAL A 645 8.048 -2.296 0.355 1.00 0.00 O ATOM 329 CB VAL A 645 6.476 -4.273 -2.291 1.00 0.00 C ATOM 330 CG1 VAL A 645 7.150 -3.272 -3.235 1.00 0.00 C ATOM 331 CG2 VAL A 645 6.686 -5.687 -2.827 1.00 0.00 C ATOM 0 H VAL A 645 5.193 -5.250 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 645 7.995 -4.523 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 645 5.413 -4.032 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 645 6.756 -3.400 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 645 6.949 -2.257 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 645 8.226 -3.446 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 645 6.329 -5.743 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 645 7.747 -5.934 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 645 6.131 -6.395 -2.212 1.00 0.00 H new ATOM 341 N PHE A 646 6.109 -1.768 -0.756 1.00 0.00 N ATOM 342 CA PHE A 646 6.166 -0.313 -0.463 1.00 0.00 C ATOM 343 C PHE A 646 5.787 -0.048 0.958 1.00 0.00 C ATOM 344 O PHE A 646 6.569 0.446 1.775 1.00 0.00 O ATOM 345 CB PHE A 646 5.260 0.500 -1.403 1.00 0.00 C ATOM 346 CG PHE A 646 6.013 1.279 -2.447 1.00 0.00 C ATOM 347 CD1 PHE A 646 6.595 2.500 -2.139 1.00 0.00 C ATOM 348 CD2 PHE A 646 6.136 0.790 -3.734 1.00 0.00 C ATOM 349 CE1 PHE A 646 7.286 3.215 -3.099 1.00 0.00 C ATOM 350 CE2 PHE A 646 6.825 1.500 -4.699 1.00 0.00 C ATOM 351 CZ PHE A 646 7.400 2.715 -4.381 1.00 0.00 C ATOM 0 H PHE A 646 5.263 -2.058 -1.246 1.00 0.00 H new ATOM 0 HA PHE A 646 7.195 0.007 -0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 646 4.565 -0.178 -1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 646 4.662 1.191 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 646 6.507 2.896 -1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 646 5.688 -0.159 -3.989 1.00 0.00 H new ATOM 0 HE1 PHE A 646 7.736 4.164 -2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 646 6.914 1.105 -5.700 1.00 0.00 H new ATOM 0 HZ PHE A 646 7.938 3.273 -5.134 1.00 0.00 H new ATOM 361 N TRP A 647 4.531 -0.399 1.201 1.00 0.00 N ATOM 362 CA TRP A 647 3.894 -0.318 2.478 1.00 0.00 C ATOM 363 C TRP A 647 4.733 -1.175 3.450 1.00 0.00 C ATOM 364 O TRP A 647 5.057 -0.751 4.548 1.00 0.00 O ATOM 365 CB TRP A 647 2.408 -0.778 2.244 1.00 0.00 C ATOM 366 CG TRP A 647 1.707 -1.540 3.363 1.00 0.00 C ATOM 367 CD1 TRP A 647 2.162 -2.643 4.031 1.00 0.00 C ATOM 368 CD2 TRP A 647 0.395 -1.273 3.901 1.00 0.00 C ATOM 369 NE1 TRP A 647 1.259 -3.029 4.988 1.00 0.00 N ATOM 370 CE2 TRP A 647 0.161 -2.216 4.920 1.00 0.00 C ATOM 371 CE3 TRP A 647 -0.596 -0.318 3.637 1.00 0.00 C ATOM 372 CZ2 TRP A 647 -1.014 -2.231 5.671 1.00 0.00 C ATOM 373 CZ3 TRP A 647 -1.761 -0.340 4.380 1.00 0.00 C ATOM 374 CH2 TRP A 647 -1.961 -1.289 5.386 1.00 0.00 C ATOM 0 H TRP A 647 3.916 -0.761 0.473 1.00 0.00 H new ATOM 0 HA TRP A 647 3.845 0.673 2.930 1.00 0.00 H new ATOM 0 HB2 TRP A 647 1.815 0.110 2.023 1.00 0.00 H new ATOM 0 HB3 TRP A 647 2.389 -1.404 1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 647 3.100 -3.140 3.833 1.00 0.00 H new ATOM 0 HE1 TRP A 647 1.386 -3.799 5.645 1.00 0.00 H new ATOM 0 HE3 TRP A 647 -0.452 0.423 2.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 647 -1.170 -2.962 6.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 647 -2.531 0.390 4.179 1.00 0.00 H new ATOM 0 HH2 TRP A 647 -2.882 -1.277 5.949 1.00 0.00 H new ATOM 385 N GLY A 648 5.178 -2.332 2.948 1.00 0.00 N ATOM 386 CA GLY A 648 5.977 -3.286 3.701 1.00 0.00 C ATOM 387 C GLY A 648 7.054 -2.681 4.577 1.00 0.00 C ATOM 388 O GLY A 648 6.800 -2.447 5.759 1.00 0.00 O ATOM 0 H GLY A 648 4.986 -2.630 1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 648 5.310 -3.877 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 648 6.447 -3.975 2.999 1.00 0.00 H new ATOM 392 N GLN A 649 8.243 -2.419 3.986 1.00 0.00 N ATOM 393 CA GLN A 649 9.415 -1.852 4.718 1.00 0.00 C ATOM 394 C GLN A 649 9.326 -2.011 6.267 1.00 0.00 C ATOM 395 O GLN A 649 9.849 -2.986 6.813 1.00 0.00 O ATOM 396 CB GLN A 649 9.626 -0.386 4.318 1.00 0.00 C ATOM 397 CG GLN A 649 10.871 -0.164 3.475 1.00 0.00 C ATOM 398 CD GLN A 649 11.117 1.299 3.166 1.00 0.00 C ATOM 399 OE1 GLN A 649 10.635 1.824 2.162 1.00 0.00 O ATOM 400 NE2 GLN A 649 11.872 1.966 4.031 1.00 0.00 N ATOM 0 H GLN A 649 8.423 -2.591 2.997 1.00 0.00 H new ATOM 0 HA GLN A 649 10.284 -2.437 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 649 8.754 -0.039 3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 649 9.693 0.223 5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 649 11.736 -0.571 3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 649 10.775 -0.717 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 649 12.251 1.490 4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 649 12.073 2.954 3.876 1.00 0.00 H new ATOM 409 N ASP A 650 8.660 -1.050 6.961 1.00 0.00 N ATOM 410 CA ASP A 650 8.471 -1.088 8.433 1.00 0.00 C ATOM 411 C ASP A 650 7.390 -0.061 8.849 1.00 0.00 C ATOM 412 O ASP A 650 6.230 -0.425 9.059 1.00 0.00 O ATOM 413 CB ASP A 650 9.804 -0.830 9.177 1.00 0.00 C ATOM 414 CG ASP A 650 9.801 -1.367 10.599 1.00 0.00 C ATOM 415 OD1 ASP A 650 10.175 -2.544 10.790 1.00 0.00 O ATOM 416 OD2 ASP A 650 9.426 -0.611 11.519 1.00 0.00 O ATOM 0 H ASP A 650 8.242 -0.232 6.517 1.00 0.00 H new ATOM 0 HA ASP A 650 8.133 -2.085 8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 650 10.620 -1.292 8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 650 10.000 0.242 9.199 1.00 0.00 H new ATOM 421 N HIS A 651 7.797 1.216 8.962 1.00 0.00 N ATOM 422 CA HIS A 651 6.907 2.351 9.299 1.00 0.00 C ATOM 423 C HIS A 651 6.000 2.664 8.104 1.00 0.00 C ATOM 424 O HIS A 651 4.821 2.991 8.245 1.00 0.00 O ATOM 425 CB HIS A 651 7.727 3.589 9.682 1.00 0.00 C ATOM 426 CG HIS A 651 8.461 3.450 10.980 1.00 0.00 C ATOM 427 ND1 HIS A 651 8.010 3.998 12.163 1.00 0.00 N ATOM 428 CD2 HIS A 651 9.623 2.821 11.279 1.00 0.00 C ATOM 429 CE1 HIS A 651 8.862 3.713 13.132 1.00 0.00 C ATOM 430 NE2 HIS A 651 9.848 2.999 12.621 1.00 0.00 N ATOM 0 H HIS A 651 8.767 1.497 8.820 1.00 0.00 H new ATOM 0 HA HIS A 651 6.292 2.074 10.155 1.00 0.00 H new ATOM 0 HB2 HIS A 651 8.446 3.797 8.889 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.061 4.450 9.742 1.00 0.00 H new ATOM 0 HD2 HIS A 651 10.255 2.280 10.590 1.00 0.00 H new ATOM 0 HE1 HIS A 651 8.768 4.013 14.165 1.00 0.00 H new ATOM 0 HE2 HIS A 651 10.648 2.638 13.140 1.00 0.00 H new ATOM 439 N LYS A 652 6.614 2.500 6.936 1.00 0.00 N ATOM 440 CA LYS A 652 6.060 2.735 5.599 1.00 0.00 C ATOM 441 C LYS A 652 4.655 2.163 5.351 1.00 0.00 C ATOM 442 O LYS A 652 3.922 2.732 4.550 1.00 0.00 O ATOM 443 CB LYS A 652 7.027 2.182 4.546 1.00 0.00 C ATOM 444 CG LYS A 652 8.045 3.199 4.026 1.00 0.00 C ATOM 445 CD LYS A 652 9.183 3.440 5.014 1.00 0.00 C ATOM 446 CE LYS A 652 10.088 4.572 4.555 1.00 0.00 C ATOM 447 NZ LYS A 652 11.198 4.820 5.515 1.00 0.00 N ATOM 0 H LYS A 652 7.580 2.177 6.892 1.00 0.00 H new ATOM 0 HA LYS A 652 5.945 3.816 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 652 7.564 1.335 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 652 6.449 1.802 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 652 8.457 2.846 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 652 7.540 4.143 3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 652 8.771 3.677 5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 652 9.768 2.527 5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 652 10.502 4.331 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 652 9.500 5.482 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 11.802 5.588 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 10.804 5.091 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 11.765 3.955 5.621 1.00 0.00 H new ATOM 461 N VAL A 653 4.284 1.046 6.010 1.00 0.00 N ATOM 462 CA VAL A 653 3.005 0.332 5.714 1.00 0.00 C ATOM 463 C VAL A 653 1.806 1.289 5.557 1.00 0.00 C ATOM 464 O VAL A 653 1.289 1.420 4.460 1.00 0.00 O ATOM 465 CB VAL A 653 2.693 -0.753 6.824 1.00 0.00 C ATOM 466 CG1 VAL A 653 3.720 -1.878 6.810 1.00 0.00 C ATOM 467 CG2 VAL A 653 2.634 -0.163 8.239 1.00 0.00 C ATOM 0 H VAL A 653 4.841 0.614 6.747 1.00 0.00 H new ATOM 0 HA VAL A 653 3.148 -0.165 4.755 1.00 0.00 H new ATOM 0 HB VAL A 653 1.707 -1.145 6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 653 3.475 -2.604 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 653 3.709 -2.368 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 653 4.712 -1.467 6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 653 2.417 -0.956 8.955 1.00 0.00 H new ATOM 0 HG22 VAL A 653 3.593 0.294 8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 653 1.850 0.593 8.286 1.00 0.00 H new ATOM 477 N ASP A 654 1.390 1.944 6.613 1.00 0.00 N ATOM 478 CA ASP A 654 0.346 2.972 6.560 1.00 0.00 C ATOM 479 C ASP A 654 0.928 4.299 6.031 1.00 0.00 C ATOM 480 O ASP A 654 0.257 5.108 5.388 1.00 0.00 O ATOM 481 CB ASP A 654 -0.411 3.133 7.882 1.00 0.00 C ATOM 482 CG ASP A 654 0.490 3.300 9.098 1.00 0.00 C ATOM 483 OD1 ASP A 654 0.856 2.276 9.712 1.00 0.00 O ATOM 484 OD2 ASP A 654 0.827 4.456 9.432 1.00 0.00 O ATOM 0 H ASP A 654 1.762 1.786 7.549 1.00 0.00 H new ATOM 0 HA ASP A 654 -0.412 2.636 5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 654 -1.068 3.999 7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 654 -1.048 2.261 8.032 1.00 0.00 H new ATOM 489 N PHE A 655 2.217 4.459 6.358 1.00 0.00 N ATOM 490 CA PHE A 655 3.025 5.676 6.160 1.00 0.00 C ATOM 491 C PHE A 655 3.145 6.114 4.720 1.00 0.00 C ATOM 492 O PHE A 655 3.197 7.317 4.447 1.00 0.00 O ATOM 493 CB PHE A 655 4.416 5.506 6.767 1.00 0.00 C ATOM 494 CG PHE A 655 4.629 6.302 8.026 1.00 0.00 C ATOM 495 CD1 PHE A 655 4.313 5.766 9.265 1.00 0.00 C ATOM 496 CD2 PHE A 655 5.147 7.587 7.969 1.00 0.00 C ATOM 497 CE1 PHE A 655 4.510 6.495 10.422 1.00 0.00 C ATOM 498 CE2 PHE A 655 5.345 8.321 9.123 1.00 0.00 C ATOM 499 CZ PHE A 655 5.026 7.774 10.351 1.00 0.00 C ATOM 0 H PHE A 655 2.754 3.707 6.790 1.00 0.00 H new ATOM 0 HA PHE A 655 2.483 6.468 6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 655 4.582 4.451 6.983 1.00 0.00 H new ATOM 0 HB3 PHE A 655 5.163 5.802 6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 655 3.908 4.767 9.326 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.399 8.019 7.012 1.00 0.00 H new ATOM 0 HE1 PHE A 655 4.261 6.065 11.381 1.00 0.00 H new ATOM 0 HE2 PHE A 655 5.749 9.321 9.065 1.00 0.00 H new ATOM 0 HZ PHE A 655 5.180 8.346 11.254 1.00 0.00 H new ATOM 509 N ILE A 656 3.208 5.139 3.805 1.00 0.00 N ATOM 510 CA ILE A 656 3.392 5.410 2.380 1.00 0.00 C ATOM 511 C ILE A 656 2.511 6.564 1.850 1.00 0.00 C ATOM 512 O ILE A 656 3.055 7.559 1.371 1.00 0.00 O ATOM 513 CB ILE A 656 3.082 4.131 1.512 1.00 0.00 C ATOM 514 CG1 ILE A 656 2.191 3.089 2.201 1.00 0.00 C ATOM 515 CG2 ILE A 656 4.383 3.433 1.131 1.00 0.00 C ATOM 516 CD1 ILE A 656 0.937 3.631 2.804 1.00 0.00 C ATOM 0 H ILE A 656 3.133 4.148 4.033 1.00 0.00 H new ATOM 0 HA ILE A 656 4.438 5.703 2.285 1.00 0.00 H new ATOM 0 HB ILE A 656 2.539 4.508 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 656 1.925 2.323 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 656 2.770 2.598 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 656 4.160 2.550 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 656 5.007 4.116 0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 656 4.913 3.133 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 656 0.375 2.819 3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 656 1.189 4.375 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 656 0.330 4.095 2.026 1.00 0.00 H new ATOM 528 N LEU A 657 1.192 6.487 1.984 1.00 0.00 N ATOM 529 CA LEU A 657 0.315 7.539 1.455 1.00 0.00 C ATOM 530 C LEU A 657 0.375 8.853 2.261 1.00 0.00 C ATOM 531 O LEU A 657 0.356 9.933 1.664 1.00 0.00 O ATOM 532 CB LEU A 657 -1.131 6.997 1.281 1.00 0.00 C ATOM 533 CG LEU A 657 -2.297 7.880 1.810 1.00 0.00 C ATOM 534 CD1 LEU A 657 -3.584 7.568 1.073 1.00 0.00 C ATOM 535 CD2 LEU A 657 -2.513 7.713 3.313 1.00 0.00 C ATOM 0 H LEU A 657 0.706 5.720 2.447 1.00 0.00 H new ATOM 0 HA LEU A 657 0.691 7.812 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -1.298 6.820 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 657 -1.190 6.029 1.779 1.00 0.00 H new ATOM 0 HG LEU A 657 -2.014 8.916 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 657 -4.386 8.197 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 657 -3.450 7.763 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 657 -3.843 6.519 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 657 -3.337 8.349 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 657 -2.751 6.672 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 657 -1.605 7.998 3.845 1.00 0.00 H new ATOM 547 N GLN A 658 0.430 8.743 3.604 1.00 0.00 N ATOM 548 CA GLN A 658 0.461 9.901 4.538 1.00 0.00 C ATOM 549 C GLN A 658 1.042 11.197 3.930 1.00 0.00 C ATOM 550 O GLN A 658 0.333 12.204 3.844 1.00 0.00 O ATOM 551 CB GLN A 658 1.225 9.528 5.816 1.00 0.00 C ATOM 552 CG GLN A 658 0.426 8.656 6.772 1.00 0.00 C ATOM 553 CD GLN A 658 1.126 8.452 8.102 1.00 0.00 C ATOM 554 OE1 GLN A 658 1.887 7.501 8.277 1.00 0.00 O ATOM 555 NE2 GLN A 658 0.872 9.349 9.048 1.00 0.00 N ATOM 0 H GLN A 658 0.455 7.842 4.081 1.00 0.00 H new ATOM 0 HA GLN A 658 -0.581 10.124 4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 658 2.142 9.006 5.542 1.00 0.00 H new ATOM 0 HB3 GLN A 658 1.521 10.441 6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 658 -0.549 9.112 6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 658 0.246 7.686 6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 658 0.234 10.122 8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 658 1.315 9.265 9.963 1.00 0.00 H new ATOM 564 N ARG A 659 2.322 11.166 3.513 1.00 0.00 N ATOM 565 CA ARG A 659 2.985 12.339 2.912 1.00 0.00 C ATOM 566 C ARG A 659 4.063 11.905 1.907 1.00 0.00 C ATOM 567 O ARG A 659 5.260 12.160 2.103 1.00 0.00 O ATOM 568 CB ARG A 659 3.599 13.241 4.004 1.00 0.00 C ATOM 569 CG ARG A 659 2.580 14.099 4.743 1.00 0.00 C ATOM 570 CD ARG A 659 3.227 14.916 5.854 1.00 0.00 C ATOM 571 NE ARG A 659 4.026 16.033 5.332 1.00 0.00 N ATOM 572 CZ ARG A 659 4.856 16.786 6.068 1.00 0.00 C ATOM 573 NH1 ARG A 659 5.018 16.562 7.371 1.00 0.00 N ATOM 574 NH2 ARG A 659 5.529 17.773 5.491 1.00 0.00 N ATOM 0 H ARG A 659 2.918 10.341 3.581 1.00 0.00 H new ATOM 0 HA ARG A 659 2.229 12.913 2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 659 4.123 12.615 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 659 4.344 13.892 3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 659 2.090 14.770 4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 659 1.805 13.460 5.166 1.00 0.00 H new ATOM 0 HD2 ARG A 659 2.452 15.304 6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 659 3.863 14.267 6.456 1.00 0.00 H new ATOM 0 HE ARG A 659 3.943 16.251 4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 659 4.506 15.806 7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 659 5.654 17.146 7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 659 5.413 17.955 4.494 1.00 0.00 H new ATOM 0 HH22 ARG A 659 6.162 18.350 6.044 1.00 0.00 H new ATOM 588 N GLU A 660 3.627 11.237 0.826 1.00 0.00 N ATOM 589 CA GLU A 660 4.540 10.743 -0.221 1.00 0.00 C ATOM 590 C GLU A 660 3.837 10.653 -1.594 1.00 0.00 C ATOM 591 O GLU A 660 2.604 10.681 -1.648 1.00 0.00 O ATOM 592 CB GLU A 660 5.095 9.367 0.181 1.00 0.00 C ATOM 593 CG GLU A 660 6.281 9.442 1.137 1.00 0.00 C ATOM 594 CD GLU A 660 7.608 9.604 0.419 1.00 0.00 C ATOM 595 OE1 GLU A 660 7.939 10.746 0.034 1.00 0.00 O ATOM 596 OE2 GLU A 660 8.318 8.591 0.244 1.00 0.00 O ATOM 0 H GLU A 660 2.644 11.026 0.653 1.00 0.00 H new ATOM 0 HA GLU A 660 5.360 11.454 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 660 4.299 8.786 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 660 5.397 8.830 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 660 6.138 10.279 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 660 6.310 8.537 1.744 1.00 0.00 H new ATOM 603 N PRO A 661 4.613 10.557 -2.738 1.00 0.00 N ATOM 604 CA PRO A 661 4.064 10.456 -4.123 1.00 0.00 C ATOM 605 C PRO A 661 2.910 9.443 -4.310 1.00 0.00 C ATOM 606 O PRO A 661 2.512 8.749 -3.372 1.00 0.00 O ATOM 607 CB PRO A 661 5.289 10.029 -4.967 1.00 0.00 C ATOM 608 CG PRO A 661 6.380 9.742 -3.990 1.00 0.00 C ATOM 609 CD PRO A 661 6.091 10.597 -2.799 1.00 0.00 C ATOM 0 HA PRO A 661 3.610 11.404 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 661 5.061 9.148 -5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 661 5.582 10.819 -5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 661 6.396 8.686 -3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 661 7.357 9.977 -4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 661 6.547 10.200 -1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 661 6.466 11.613 -2.926 1.00 0.00 H new ATOM 617 N TYR A 662 2.406 9.368 -5.560 1.00 0.00 N ATOM 618 CA TYR A 662 1.277 8.497 -5.954 1.00 0.00 C ATOM 619 C TYR A 662 1.456 7.016 -5.577 1.00 0.00 C ATOM 620 O TYR A 662 0.501 6.378 -5.123 1.00 0.00 O ATOM 621 CB TYR A 662 1.037 8.610 -7.463 1.00 0.00 C ATOM 622 CG TYR A 662 0.487 9.952 -7.897 1.00 0.00 C ATOM 623 CD1 TYR A 662 -0.883 10.178 -7.954 1.00 0.00 C ATOM 624 CD2 TYR A 662 1.339 10.992 -8.250 1.00 0.00 C ATOM 625 CE1 TYR A 662 -1.388 11.402 -8.350 1.00 0.00 C ATOM 626 CE2 TYR A 662 0.841 12.218 -8.646 1.00 0.00 C ATOM 627 CZ TYR A 662 -0.522 12.418 -8.695 1.00 0.00 C ATOM 628 OH TYR A 662 -1.021 13.638 -9.089 1.00 0.00 O ATOM 0 H TYR A 662 2.777 9.918 -6.335 1.00 0.00 H new ATOM 0 HA TYR A 662 0.416 8.854 -5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 662 1.976 8.427 -7.985 1.00 0.00 H new ATOM 0 HB3 TYR A 662 0.344 7.827 -7.770 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.564 9.384 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 662 2.408 10.839 -8.214 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -2.455 11.562 -8.389 1.00 0.00 H new ATOM 0 HE2 TYR A 662 1.516 13.016 -8.916 1.00 0.00 H new ATOM 0 HH TYR A 662 -0.279 14.243 -9.296 1.00 0.00 H new ATOM 638 N CYS A 663 2.673 6.476 -5.769 1.00 0.00 N ATOM 639 CA CYS A 663 2.973 5.059 -5.468 1.00 0.00 C ATOM 640 C CYS A 663 2.698 4.705 -3.997 1.00 0.00 C ATOM 641 O CYS A 663 2.056 3.695 -3.696 1.00 0.00 O ATOM 642 CB CYS A 663 4.430 4.745 -5.821 1.00 0.00 C ATOM 643 SG CYS A 663 4.881 5.152 -7.523 1.00 0.00 S ATOM 0 H CYS A 663 3.469 7.000 -6.133 1.00 0.00 H new ATOM 0 HA CYS A 663 2.308 4.449 -6.078 1.00 0.00 H new ATOM 0 HB2 CYS A 663 5.083 5.293 -5.142 1.00 0.00 H new ATOM 0 HB3 CYS A 663 4.613 3.684 -5.652 1.00 0.00 H new ATOM 0 HG CYS A 663 6.130 4.853 -7.724 1.00 0.00 H new ATOM 649 N ARG A 664 3.188 5.550 -3.088 1.00 0.00 N ATOM 650 CA ARG A 664 3.001 5.366 -1.654 1.00 0.00 C ATOM 651 C ARG A 664 1.555 5.722 -1.296 1.00 0.00 C ATOM 652 O ARG A 664 0.906 5.082 -0.448 1.00 0.00 O ATOM 653 CB ARG A 664 4.038 6.180 -0.855 1.00 0.00 C ATOM 654 CG ARG A 664 5.484 5.932 -1.296 1.00 0.00 C ATOM 655 CD ARG A 664 6.493 6.160 -0.176 1.00 0.00 C ATOM 656 NE ARG A 664 7.810 5.606 -0.508 1.00 0.00 N ATOM 657 CZ ARG A 664 8.852 5.558 0.334 1.00 0.00 C ATOM 658 NH1 ARG A 664 8.757 6.029 1.577 1.00 0.00 N ATOM 659 NH2 ARG A 664 9.999 5.032 -0.074 1.00 0.00 N ATOM 0 H ARG A 664 3.726 6.382 -3.330 1.00 0.00 H new ATOM 0 HA ARG A 664 3.169 4.324 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 664 3.812 7.241 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 664 3.943 5.935 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 664 5.577 4.909 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 664 5.722 6.590 -2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 664 6.586 7.229 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 664 6.127 5.701 0.742 1.00 0.00 H new ATOM 0 HE ARG A 664 7.942 5.230 -1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 664 7.880 6.435 1.903 1.00 0.00 H new ATOM 0 HH12 ARG A 664 9.561 5.983 2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 664 10.084 4.667 -1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 664 10.796 4.992 0.561 1.00 0.00 H new ATOM 673 N ASP A 665 1.084 6.779 -1.979 1.00 0.00 N ATOM 674 CA ASP A 665 -0.277 7.303 -1.872 1.00 0.00 C ATOM 675 C ASP A 665 -1.327 6.194 -2.043 1.00 0.00 C ATOM 676 O ASP A 665 -2.326 6.172 -1.335 1.00 0.00 O ATOM 677 CB ASP A 665 -0.499 8.386 -2.933 1.00 0.00 C ATOM 678 CG ASP A 665 -1.490 9.448 -2.489 1.00 0.00 C ATOM 679 OD1 ASP A 665 -1.069 10.405 -1.806 1.00 0.00 O ATOM 680 OD2 ASP A 665 -2.686 9.321 -2.826 1.00 0.00 O ATOM 0 H ASP A 665 1.660 7.303 -2.638 1.00 0.00 H new ATOM 0 HA ASP A 665 -0.394 7.727 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 665 0.454 8.860 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 665 -0.858 7.921 -3.851 1.00 0.00 H new ATOM 685 N ILE A 666 -1.046 5.262 -2.971 1.00 0.00 N ATOM 686 CA ILE A 666 -1.957 4.179 -3.327 1.00 0.00 C ATOM 687 C ILE A 666 -1.925 3.114 -2.237 1.00 0.00 C ATOM 688 O ILE A 666 -2.921 2.492 -1.921 1.00 0.00 O ATOM 689 CB ILE A 666 -1.671 3.609 -4.767 1.00 0.00 C ATOM 690 CG1 ILE A 666 -2.855 2.778 -5.287 1.00 0.00 C ATOM 691 CG2 ILE A 666 -0.385 2.793 -4.847 1.00 0.00 C ATOM 692 CD1 ILE A 666 -3.945 3.602 -5.945 1.00 0.00 C ATOM 0 H ILE A 666 -0.171 5.246 -3.495 1.00 0.00 H new ATOM 0 HA ILE A 666 -2.973 4.570 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 666 -1.538 4.481 -5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 666 -2.484 2.046 -6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 666 -3.287 2.220 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -0.247 2.430 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 666 0.462 3.420 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 666 -0.449 1.945 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 666 -4.744 2.943 -6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -4.345 4.317 -5.226 1.00 0.00 H new ATOM 0 HD13 ILE A 666 -3.530 4.139 -6.798 1.00 0.00 H new ATOM 704 N ASN A 667 -0.720 2.908 -1.719 1.00 0.00 N ATOM 705 CA ASN A 667 -0.438 1.930 -0.683 1.00 0.00 C ATOM 706 C ASN A 667 -1.377 2.001 0.553 1.00 0.00 C ATOM 707 O ASN A 667 -2.073 1.025 0.806 1.00 0.00 O ATOM 708 CB ASN A 667 1.016 2.065 -0.333 1.00 0.00 C ATOM 709 CG ASN A 667 1.903 1.158 -1.166 1.00 0.00 C ATOM 710 OD1 ASN A 667 2.041 -0.091 -0.745 1.00 0.00 O flip ATOM 711 ND2 ASN A 667 2.454 1.577 -2.183 1.00 0.00 N flip ATOM 0 H ASN A 667 0.105 3.430 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 667 -0.647 0.933 -1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 667 1.326 3.100 -0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 667 1.155 1.833 0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 667 2.322 2.546 -2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 667 3.043 0.955 -2.737 1.00 0.00 H new ATOM 718 N GLN A 668 -1.432 3.112 1.325 1.00 0.00 N ATOM 719 CA GLN A 668 -2.390 3.169 2.482 1.00 0.00 C ATOM 720 C GLN A 668 -3.789 3.309 1.913 1.00 0.00 C ATOM 721 O GLN A 668 -4.745 2.707 2.400 1.00 0.00 O ATOM 722 CB GLN A 668 -2.138 4.321 3.485 1.00 0.00 C ATOM 723 CG GLN A 668 -2.564 4.048 4.925 1.00 0.00 C ATOM 724 CD GLN A 668 -3.656 4.995 5.391 1.00 0.00 C ATOM 725 OE1 GLN A 668 -4.907 4.651 5.113 1.00 0.00 O flip ATOM 726 NE2 GLN A 668 -3.374 6.035 5.986 1.00 0.00 N flip ATOM 0 H GLN A 668 -0.862 3.947 1.189 1.00 0.00 H new ATOM 0 HA GLN A 668 -2.249 2.251 3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -1.074 4.558 3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -2.664 5.208 3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -2.917 3.020 5.009 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -1.699 4.142 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -2.399 6.263 6.180 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -4.115 6.669 6.285 1.00 0.00 H new ATOM 735 N LEU A 669 -3.872 4.127 0.859 1.00 0.00 N ATOM 736 CA LEU A 669 -5.107 4.399 0.149 1.00 0.00 C ATOM 737 C LEU A 669 -5.817 3.096 -0.258 1.00 0.00 C ATOM 738 O LEU A 669 -6.893 2.782 0.255 1.00 0.00 O ATOM 739 CB LEU A 669 -4.729 5.203 -1.100 1.00 0.00 C ATOM 740 CG LEU A 669 -5.637 6.396 -1.451 1.00 0.00 C ATOM 741 CD1 LEU A 669 -4.967 7.281 -2.492 1.00 0.00 C ATOM 742 CD2 LEU A 669 -6.995 5.927 -1.969 1.00 0.00 C ATOM 0 H LEU A 669 -3.066 4.622 0.476 1.00 0.00 H new ATOM 0 HA LEU A 669 -5.796 4.951 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 669 -3.712 5.574 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 669 -4.715 4.523 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 669 -5.799 6.970 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 669 -5.620 8.120 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 669 -4.023 7.657 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 669 -4.777 6.701 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 669 -7.612 6.793 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 669 -6.854 5.324 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 669 -7.490 5.329 -1.204 1.00 0.00 H new ATOM 754 N SER A 670 -5.165 2.325 -1.138 1.00 0.00 N ATOM 755 CA SER A 670 -5.694 1.048 -1.622 1.00 0.00 C ATOM 756 C SER A 670 -5.596 -0.084 -0.588 1.00 0.00 C ATOM 757 O SER A 670 -6.574 -0.809 -0.393 1.00 0.00 O ATOM 758 CB SER A 670 -5.010 0.640 -2.929 1.00 0.00 C ATOM 759 OG SER A 670 -5.547 -0.568 -3.448 1.00 0.00 O ATOM 0 H SER A 670 -4.257 2.571 -1.533 1.00 0.00 H new ATOM 0 HA SER A 670 -6.757 1.208 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 670 -5.127 1.436 -3.665 1.00 0.00 H new ATOM 0 HB3 SER A 670 -3.940 0.519 -2.758 1.00 0.00 H new ATOM 0 HG SER A 670 -5.088 -0.798 -4.283 1.00 0.00 H new ATOM 765 N GLU A 671 -4.428 -0.248 0.082 1.00 0.00 N ATOM 766 CA GLU A 671 -4.268 -1.347 1.047 1.00 0.00 C ATOM 767 C GLU A 671 -5.054 -1.113 2.341 1.00 0.00 C ATOM 768 O GLU A 671 -5.931 -1.916 2.673 1.00 0.00 O ATOM 769 CB GLU A 671 -2.777 -1.626 1.337 1.00 0.00 C ATOM 770 CG GLU A 671 -2.499 -2.827 2.249 1.00 0.00 C ATOM 771 CD GLU A 671 -3.061 -4.138 1.720 1.00 0.00 C ATOM 772 OE1 GLU A 671 -4.282 -4.359 1.859 1.00 0.00 O ATOM 773 OE2 GLU A 671 -2.281 -4.937 1.172 1.00 0.00 O ATOM 0 H GLU A 671 -3.610 0.351 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 671 -4.693 -2.236 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 671 -2.263 -1.784 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 671 -2.340 -0.737 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 671 -1.422 -2.930 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 671 -2.924 -2.631 3.234 1.00 0.00 H new ATOM 780 N ALA A 672 -4.746 -0.025 3.067 1.00 0.00 N ATOM 781 CA ALA A 672 -5.443 0.262 4.346 1.00 0.00 C ATOM 782 C ALA A 672 -6.975 0.383 4.223 1.00 0.00 C ATOM 783 O ALA A 672 -7.693 -0.142 5.079 1.00 0.00 O ATOM 784 CB ALA A 672 -4.890 1.506 5.002 1.00 0.00 C ATOM 0 H ALA A 672 -4.037 0.660 2.804 1.00 0.00 H new ATOM 0 HA ALA A 672 -5.248 -0.610 4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 672 -5.420 1.691 5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 672 -3.829 1.368 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 672 -5.022 2.358 4.335 1.00 0.00 H new ATOM 790 N LEU A 673 -7.481 1.054 3.168 1.00 0.00 N ATOM 791 CA LEU A 673 -8.939 1.231 2.994 1.00 0.00 C ATOM 792 C LEU A 673 -9.660 -0.081 2.653 1.00 0.00 C ATOM 793 O LEU A 673 -10.744 -0.345 3.178 1.00 0.00 O ATOM 794 CB LEU A 673 -9.242 2.283 1.919 1.00 0.00 C ATOM 795 CG LEU A 673 -9.569 3.693 2.438 1.00 0.00 C ATOM 796 CD1 LEU A 673 -8.298 4.472 2.756 1.00 0.00 C ATOM 797 CD2 LEU A 673 -10.412 4.446 1.420 1.00 0.00 C ATOM 0 H LEU A 673 -6.913 1.477 2.434 1.00 0.00 H new ATOM 0 HA LEU A 673 -9.320 1.576 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 673 -8.383 2.352 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 673 -10.083 1.932 1.321 1.00 0.00 H new ATOM 0 HG LEU A 673 -10.139 3.590 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 673 -8.561 5.465 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 673 -7.729 3.944 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 673 -7.693 4.565 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 673 -10.637 5.443 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 673 -9.862 4.530 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 673 -11.343 3.905 1.247 1.00 0.00 H new ATOM 809 N LEU A 674 -9.051 -0.893 1.778 1.00 0.00 N ATOM 810 CA LEU A 674 -9.629 -2.180 1.357 1.00 0.00 C ATOM 811 C LEU A 674 -9.587 -3.232 2.474 1.00 0.00 C ATOM 812 O LEU A 674 -10.551 -3.978 2.662 1.00 0.00 O ATOM 813 CB LEU A 674 -8.898 -2.714 0.104 1.00 0.00 C ATOM 814 CG LEU A 674 -9.417 -2.250 -1.284 1.00 0.00 C ATOM 815 CD1 LEU A 674 -10.792 -2.835 -1.593 1.00 0.00 C ATOM 816 CD2 LEU A 674 -9.446 -0.726 -1.404 1.00 0.00 C ATOM 0 H LEU A 674 -8.152 -0.681 1.345 1.00 0.00 H new ATOM 0 HA LEU A 674 -10.677 -1.996 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 674 -7.848 -2.431 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 674 -8.938 -3.803 0.131 1.00 0.00 H new ATOM 0 HG LEU A 674 -8.711 -2.629 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 674 -11.123 -2.489 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 674 -10.732 -3.923 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 674 -11.504 -2.511 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 674 -9.815 -0.446 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 674 -10.104 -0.313 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 674 -8.439 -0.331 -1.268 1.00 0.00 H new ATOM 828 N SER A 675 -8.465 -3.280 3.210 1.00 0.00 N ATOM 829 CA SER A 675 -8.275 -4.244 4.306 1.00 0.00 C ATOM 830 C SER A 675 -9.131 -3.915 5.539 1.00 0.00 C ATOM 831 O SER A 675 -9.709 -4.817 6.151 1.00 0.00 O ATOM 832 CB SER A 675 -6.795 -4.311 4.699 1.00 0.00 C ATOM 833 OG SER A 675 -6.303 -3.036 5.079 1.00 0.00 O ATOM 0 H SER A 675 -7.670 -2.657 3.064 1.00 0.00 H new ATOM 0 HA SER A 675 -8.604 -5.215 3.936 1.00 0.00 H new ATOM 0 HB2 SER A 675 -6.667 -5.013 5.523 1.00 0.00 H new ATOM 0 HB3 SER A 675 -6.211 -4.693 3.862 1.00 0.00 H new ATOM 0 HG SER A 675 -5.883 -2.604 4.306 1.00 0.00 H new ATOM 839 N LEU A 676 -9.205 -2.620 5.895 1.00 0.00 N ATOM 840 CA LEU A 676 -9.981 -2.165 7.061 1.00 0.00 C ATOM 841 C LEU A 676 -11.496 -2.235 6.825 1.00 0.00 C ATOM 842 O LEU A 676 -12.242 -2.665 7.710 1.00 0.00 O ATOM 843 CB LEU A 676 -9.579 -0.733 7.449 1.00 0.00 C ATOM 844 CG LEU A 676 -8.210 -0.586 8.133 1.00 0.00 C ATOM 845 CD1 LEU A 676 -7.681 0.830 7.959 1.00 0.00 C ATOM 846 CD2 LEU A 676 -8.299 -0.930 9.617 1.00 0.00 C ATOM 0 H LEU A 676 -8.735 -1.869 5.390 1.00 0.00 H new ATOM 0 HA LEU A 676 -9.747 -2.846 7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -9.583 -0.118 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -10.342 -0.329 8.114 1.00 0.00 H new ATOM 0 HG LEU A 676 -7.521 -1.285 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -6.711 0.919 8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -7.573 1.050 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -8.379 1.537 8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -7.317 -0.818 10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -9.006 -0.259 10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -8.638 -1.960 9.732 1.00 0.00 H new ATOM 858 N ASN A 677 -11.942 -1.811 5.629 1.00 0.00 N ATOM 859 CA ASN A 677 -13.370 -1.819 5.272 1.00 0.00 C ATOM 860 C ASN A 677 -13.882 -3.249 5.021 1.00 0.00 C ATOM 861 O ASN A 677 -14.813 -3.703 5.694 1.00 0.00 O ATOM 862 CB ASN A 677 -13.613 -0.928 4.042 1.00 0.00 C ATOM 863 CG ASN A 677 -15.033 -0.391 3.974 1.00 0.00 C ATOM 864 OD1 ASN A 677 -15.918 -1.016 3.391 1.00 0.00 O ATOM 865 ND2 ASN A 677 -15.253 0.775 4.570 1.00 0.00 N ATOM 0 H ASN A 677 -11.331 -1.458 4.892 1.00 0.00 H new ATOM 0 HA ASN A 677 -13.931 -1.416 6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -12.914 -0.092 4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -13.402 -1.499 3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -16.186 1.187 4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -14.489 1.259 5.042 1.00 0.00 H new ATOM 872 N PHE A 678 -13.265 -3.947 4.050 1.00 0.00 N ATOM 873 CA PHE A 678 -13.641 -5.325 3.702 1.00 0.00 C ATOM 874 C PHE A 678 -13.186 -6.326 4.771 1.00 0.00 C ATOM 875 O PHE A 678 -14.062 -6.987 5.368 1.00 0.00 O ATOM 876 CB PHE A 678 -13.063 -5.705 2.334 1.00 0.00 C ATOM 877 CG PHE A 678 -13.799 -5.089 1.176 1.00 0.00 C ATOM 878 CD1 PHE A 678 -13.446 -3.836 0.697 1.00 0.00 C ATOM 879 CD2 PHE A 678 -14.843 -5.765 0.566 1.00 0.00 C ATOM 880 CE1 PHE A 678 -14.123 -3.270 -0.367 1.00 0.00 C ATOM 881 CE2 PHE A 678 -15.523 -5.204 -0.499 1.00 0.00 C ATOM 882 CZ PHE A 678 -15.163 -3.956 -0.966 1.00 0.00 C ATOM 883 OXT PHE A 678 -11.962 -6.431 5.007 1.00 0.00 O ATOM 0 H PHE A 678 -12.498 -3.574 3.490 1.00 0.00 H new ATOM 0 HA PHE A 678 -14.729 -5.368 3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -12.018 -5.399 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -13.082 -6.790 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -12.633 -3.297 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -15.129 -6.742 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -13.840 -2.293 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -16.335 -5.742 -0.965 1.00 0.00 H new ATOM 0 HZ PHE A 678 -15.693 -3.516 -1.798 1.00 0.00 H new