USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 359 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 Single : A 677 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 691 SER OG : rot 180:sc= 0 USER MOD Single : A 703 SER OG : rot 180:sc= 0 USER MOD Single : A 706 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.2!) USER MOD Single : A 710 GLN :FLIP amide:sc= 0.821 F(o=-0.69,f=0.82) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot 56:sc= 0.366 USER MOD Single : A 716 SER OG : rot 31:sc= 0.873 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 677 0.606 -9.630 -15.122 1.00 0.00 N ATOM 2 CA ASN A 677 0.456 -8.261 -14.553 1.00 0.00 C ATOM 3 C ASN A 677 1.774 -7.834 -13.916 1.00 0.00 C ATOM 4 O ASN A 677 2.585 -8.671 -13.525 1.00 0.00 O ATOM 5 CB ASN A 677 -0.651 -8.270 -13.497 1.00 0.00 C ATOM 6 CG ASN A 677 -1.960 -8.748 -14.115 1.00 0.00 C ATOM 7 OD1 ASN A 677 -2.332 -8.307 -15.202 1.00 0.00 O ATOM 8 ND2 ASN A 677 -2.686 -9.628 -13.481 1.00 0.00 N ATOM 0 HA ASN A 677 0.193 -7.559 -15.344 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -0.370 -8.923 -12.670 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -0.779 -7.269 -13.084 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -3.564 -9.952 -13.886 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -2.375 -9.992 -12.580 1.00 0.00 H new ATOM 17 N TRP A 678 1.967 -6.525 -13.784 1.00 0.00 N ATOM 18 CA TRP A 678 3.176 -6.001 -13.160 1.00 0.00 C ATOM 19 C TRP A 678 3.213 -6.364 -11.678 1.00 0.00 C ATOM 20 O TRP A 678 4.249 -6.779 -11.157 1.00 0.00 O ATOM 21 CB TRP A 678 3.226 -4.480 -13.314 1.00 0.00 C ATOM 22 CG TRP A 678 3.604 -4.132 -14.718 1.00 0.00 C ATOM 23 CD1 TRP A 678 2.741 -3.717 -15.673 1.00 0.00 C ATOM 24 CD2 TRP A 678 4.922 -4.163 -15.340 1.00 0.00 C ATOM 25 NE1 TRP A 678 3.445 -3.491 -16.842 1.00 0.00 N ATOM 26 CE2 TRP A 678 4.792 -3.752 -16.688 1.00 0.00 C ATOM 27 CE3 TRP A 678 6.202 -4.505 -14.871 1.00 0.00 C ATOM 28 CZ2 TRP A 678 5.895 -3.682 -17.540 1.00 0.00 C ATOM 29 CZ3 TRP A 678 7.315 -4.435 -15.726 1.00 0.00 C ATOM 30 CH2 TRP A 678 7.161 -4.025 -17.058 1.00 0.00 C ATOM 0 H TRP A 678 1.307 -5.813 -14.098 1.00 0.00 H new ATOM 0 HA TRP A 678 4.040 -6.445 -13.655 1.00 0.00 H new ATOM 0 HB2 TRP A 678 2.256 -4.047 -13.070 1.00 0.00 H new ATOM 0 HB3 TRP A 678 3.949 -4.057 -12.616 1.00 0.00 H new ATOM 0 HD1 TRP A 678 1.677 -3.584 -15.544 1.00 0.00 H new ATOM 0 HE1 TRP A 678 3.020 -3.170 -17.712 1.00 0.00 H new ATOM 0 HE3 TRP A 678 6.331 -4.824 -13.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 5.771 -3.365 -18.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 8.294 -4.698 -15.355 1.00 0.00 H new ATOM 0 HH2 TRP A 678 8.020 -3.974 -17.711 1.00 0.00 H new ATOM 41 N LEU A 679 2.078 -6.206 -11.005 1.00 0.00 N ATOM 42 CA LEU A 679 1.992 -6.520 -9.584 1.00 0.00 C ATOM 43 C LEU A 679 2.118 -8.024 -9.360 1.00 0.00 C ATOM 44 O LEU A 679 2.782 -8.468 -8.426 1.00 0.00 O ATOM 45 CB LEU A 679 0.656 -6.028 -9.019 1.00 0.00 C ATOM 46 CG LEU A 679 0.633 -4.496 -9.001 1.00 0.00 C ATOM 47 CD1 LEU A 679 -0.783 -4.015 -8.670 1.00 0.00 C ATOM 48 CD2 LEU A 679 1.607 -3.977 -7.938 1.00 0.00 C ATOM 0 H LEU A 679 1.210 -5.864 -11.418 1.00 0.00 H new ATOM 0 HA LEU A 679 2.811 -6.017 -9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.167 -6.406 -9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 679 0.513 -6.415 -8.010 1.00 0.00 H new ATOM 0 HG LEU A 679 0.931 -4.118 -9.979 1.00 0.00 H new ATOM 0 HD11 LEU A 679 -0.803 -2.925 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 679 -1.478 -4.381 -9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 679 -1.077 -4.396 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 679 1.588 -2.887 -7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 679 1.312 -4.354 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 679 2.615 -4.320 -8.170 1.00 0.00 H new ATOM 60 N TRP A 680 1.471 -8.801 -10.223 1.00 0.00 N ATOM 61 CA TRP A 680 1.517 -10.254 -10.109 1.00 0.00 C ATOM 62 C TRP A 680 2.962 -10.746 -10.097 1.00 0.00 C ATOM 63 O TRP A 680 3.356 -11.531 -9.234 1.00 0.00 O ATOM 64 CB TRP A 680 0.767 -10.893 -11.279 1.00 0.00 C ATOM 65 CG TRP A 680 0.866 -12.380 -11.180 1.00 0.00 C ATOM 66 CD1 TRP A 680 1.649 -13.161 -11.960 1.00 0.00 C ATOM 67 CD2 TRP A 680 0.174 -13.280 -10.265 1.00 0.00 C ATOM 68 NE1 TRP A 680 1.483 -14.481 -11.581 1.00 0.00 N ATOM 69 CE2 TRP A 680 0.584 -14.606 -10.542 1.00 0.00 C ATOM 70 CE3 TRP A 680 -0.759 -13.075 -9.233 1.00 0.00 C ATOM 71 CZ2 TRP A 680 0.085 -15.690 -9.818 1.00 0.00 C ATOM 72 CZ3 TRP A 680 -1.263 -14.165 -8.504 1.00 0.00 C ATOM 73 CH2 TRP A 680 -0.842 -15.470 -8.796 1.00 0.00 C ATOM 0 H TRP A 680 0.913 -8.452 -11.003 1.00 0.00 H new ATOM 0 HA TRP A 680 1.040 -10.542 -9.172 1.00 0.00 H new ATOM 0 HB2 TRP A 680 -0.279 -10.586 -11.266 1.00 0.00 H new ATOM 0 HB3 TRP A 680 1.188 -10.552 -12.225 1.00 0.00 H new ATOM 0 HD1 TRP A 680 2.298 -12.811 -12.749 1.00 0.00 H new ATOM 0 HE1 TRP A 680 1.966 -15.266 -12.017 1.00 0.00 H new ATOM 0 HE3 TRP A 680 -1.090 -12.074 -9.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 0.414 -16.693 -10.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 -1.979 -13.997 -7.714 1.00 0.00 H new ATOM 0 HH2 TRP A 680 -1.233 -16.304 -8.232 1.00 0.00 H new ATOM 84 N TYR A 681 3.748 -10.274 -11.060 1.00 0.00 N ATOM 85 CA TYR A 681 5.150 -10.669 -11.150 1.00 0.00 C ATOM 86 C TYR A 681 5.950 -10.086 -9.989 1.00 0.00 C ATOM 87 O TYR A 681 6.899 -10.703 -9.507 1.00 0.00 O ATOM 88 CB TYR A 681 5.754 -10.202 -12.477 1.00 0.00 C ATOM 89 CG TYR A 681 5.257 -11.086 -13.597 1.00 0.00 C ATOM 90 CD1 TYR A 681 5.584 -12.447 -13.608 1.00 0.00 C ATOM 91 CD2 TYR A 681 4.476 -10.544 -14.624 1.00 0.00 C ATOM 92 CE1 TYR A 681 5.128 -13.267 -14.648 1.00 0.00 C ATOM 93 CE2 TYR A 681 4.020 -11.364 -15.662 1.00 0.00 C ATOM 94 CZ TYR A 681 4.345 -12.725 -15.674 1.00 0.00 C ATOM 95 OH TYR A 681 3.896 -13.533 -16.699 1.00 0.00 O ATOM 0 H TYR A 681 3.442 -9.623 -11.783 1.00 0.00 H new ATOM 0 HA TYR A 681 5.198 -11.757 -11.100 1.00 0.00 H new ATOM 0 HB2 TYR A 681 5.479 -9.165 -12.669 1.00 0.00 H new ATOM 0 HB3 TYR A 681 6.842 -10.239 -12.426 1.00 0.00 H new ATOM 0 HD1 TYR A 681 6.187 -12.864 -12.815 1.00 0.00 H new ATOM 0 HD2 TYR A 681 4.225 -9.494 -14.615 1.00 0.00 H new ATOM 0 HE1 TYR A 681 5.380 -14.317 -14.658 1.00 0.00 H new ATOM 0 HE2 TYR A 681 3.417 -10.946 -16.454 1.00 0.00 H new ATOM 0 HH TYR A 681 3.365 -13.000 -17.327 1.00 0.00 H new ATOM 105 N ILE A 682 5.558 -8.896 -9.546 1.00 0.00 N ATOM 106 CA ILE A 682 6.247 -8.241 -8.441 1.00 0.00 C ATOM 107 C ILE A 682 6.098 -9.054 -7.159 1.00 0.00 C ATOM 108 O ILE A 682 7.049 -9.208 -6.394 1.00 0.00 O ATOM 109 CB ILE A 682 5.732 -6.815 -8.235 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.265 -5.920 -9.358 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.216 -6.285 -6.885 1.00 0.00 C ATOM 112 CD1 ILE A 682 5.414 -4.652 -9.454 1.00 0.00 C ATOM 0 H ILE A 682 4.774 -8.370 -9.931 1.00 0.00 H new ATOM 0 HA ILE A 682 7.306 -8.182 -8.694 1.00 0.00 H new ATOM 0 HB ILE A 682 4.642 -6.814 -8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 682 7.305 -5.658 -9.165 1.00 0.00 H new ATOM 0 HG13 ILE A 682 6.243 -6.457 -10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 682 5.848 -5.269 -6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 682 5.839 -6.925 -6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.306 -6.283 -6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 682 5.796 -4.017 -10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 682 4.380 -4.923 -9.668 1.00 0.00 H new ATOM 0 HD13 ILE A 682 5.459 -4.111 -8.509 1.00 0.00 H new ATOM 124 N ARG A 683 4.896 -9.575 -6.933 1.00 0.00 N ATOM 125 CA ARG A 683 4.632 -10.374 -5.741 1.00 0.00 C ATOM 126 C ARG A 683 5.461 -11.652 -5.758 1.00 0.00 C ATOM 127 O ARG A 683 6.063 -12.029 -4.751 1.00 0.00 O ATOM 128 CB ARG A 683 3.143 -10.727 -5.663 1.00 0.00 C ATOM 129 CG ARG A 683 2.307 -9.462 -5.428 1.00 0.00 C ATOM 130 CD ARG A 683 2.531 -8.936 -4.006 1.00 0.00 C ATOM 131 NE ARG A 683 1.650 -7.800 -3.745 1.00 0.00 N ATOM 132 CZ ARG A 683 0.382 -7.963 -3.364 1.00 0.00 C ATOM 133 NH1 ARG A 683 -0.130 -9.161 -3.219 1.00 0.00 N ATOM 134 NH2 ARG A 683 -0.360 -6.915 -3.130 1.00 0.00 N ATOM 0 H ARG A 683 4.095 -9.460 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 683 4.910 -9.787 -4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.829 -11.212 -6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 683 2.973 -11.439 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 683 2.581 -8.696 -6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 683 1.250 -9.682 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 683 2.339 -9.728 -3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 683 3.571 -8.635 -3.881 1.00 0.00 H new ATOM 0 HE ARG A 683 2.015 -6.854 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 683 0.443 -9.986 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -1.101 -9.269 -2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 683 0.031 -5.979 -3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -1.330 -7.032 -2.838 1.00 0.00 H new ATOM 148 N ILE A 684 5.489 -12.320 -6.907 1.00 0.00 N ATOM 149 CA ILE A 684 6.248 -13.558 -7.043 1.00 0.00 C ATOM 150 C ILE A 684 7.720 -13.319 -6.714 1.00 0.00 C ATOM 151 O ILE A 684 8.338 -14.099 -5.991 1.00 0.00 O ATOM 152 CB ILE A 684 6.122 -14.097 -8.469 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.688 -14.577 -8.706 1.00 0.00 C ATOM 154 CG2 ILE A 684 7.088 -15.267 -8.661 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.482 -14.854 -10.196 1.00 0.00 C ATOM 0 H ILE A 684 4.998 -12.027 -7.752 1.00 0.00 H new ATOM 0 HA ILE A 684 5.843 -14.290 -6.344 1.00 0.00 H new ATOM 0 HB ILE A 684 6.365 -13.306 -9.179 1.00 0.00 H new ATOM 0 HG12 ILE A 684 4.495 -15.480 -8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 684 3.980 -13.822 -8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 684 6.998 -15.650 -9.677 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.110 -14.927 -8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.846 -16.059 -7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.461 -15.196 -10.365 1.00 0.00 H new ATOM 0 HD12 ILE A 684 4.657 -13.940 -10.764 1.00 0.00 H new ATOM 0 HD13 ILE A 684 5.181 -15.624 -10.523 1.00 0.00 H new ATOM 167 N PHE A 685 8.276 -12.238 -7.255 1.00 0.00 N ATOM 168 CA PHE A 685 9.674 -11.911 -7.011 1.00 0.00 C ATOM 169 C PHE A 685 9.934 -11.747 -5.519 1.00 0.00 C ATOM 170 O PHE A 685 10.930 -12.244 -4.993 1.00 0.00 O ATOM 171 CB PHE A 685 10.042 -10.617 -7.741 1.00 0.00 C ATOM 172 CG PHE A 685 11.483 -10.267 -7.451 1.00 0.00 C ATOM 173 CD1 PHE A 685 12.514 -10.931 -8.128 1.00 0.00 C ATOM 174 CD2 PHE A 685 11.788 -9.281 -6.506 1.00 0.00 C ATOM 175 CE1 PHE A 685 13.849 -10.607 -7.859 1.00 0.00 C ATOM 176 CE2 PHE A 685 13.123 -8.957 -6.237 1.00 0.00 C ATOM 177 CZ PHE A 685 14.154 -9.620 -6.913 1.00 0.00 C ATOM 0 H PHE A 685 7.784 -11.580 -7.859 1.00 0.00 H new ATOM 0 HA PHE A 685 10.290 -12.728 -7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.895 -10.738 -8.814 1.00 0.00 H new ATOM 0 HB3 PHE A 685 9.388 -9.807 -7.419 1.00 0.00 H new ATOM 0 HD1 PHE A 685 12.279 -11.692 -8.857 1.00 0.00 H new ATOM 0 HD2 PHE A 685 10.993 -8.770 -5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 685 14.644 -11.118 -8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 685 13.358 -8.196 -5.508 1.00 0.00 H new ATOM 0 HZ PHE A 685 15.184 -9.371 -6.705 1.00 0.00 H new ATOM 187 N ILE A 686 9.031 -11.046 -4.839 1.00 0.00 N ATOM 188 CA ILE A 686 9.172 -10.823 -3.407 1.00 0.00 C ATOM 189 C ILE A 686 9.166 -12.152 -2.657 1.00 0.00 C ATOM 190 O ILE A 686 9.986 -12.379 -1.766 1.00 0.00 O ATOM 191 CB ILE A 686 8.020 -9.950 -2.897 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.134 -8.523 -3.465 1.00 0.00 C ATOM 193 CG2 ILE A 686 8.057 -9.900 -1.369 1.00 0.00 C ATOM 194 CD1 ILE A 686 9.325 -7.770 -2.849 1.00 0.00 C ATOM 0 H ILE A 686 8.200 -10.626 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 686 10.121 -10.317 -3.230 1.00 0.00 H new ATOM 0 HB ILE A 686 7.076 -10.383 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 686 8.250 -8.569 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 686 7.213 -7.975 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.238 -9.279 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.953 -10.909 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 686 9.006 -9.476 -1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 686 9.378 -6.766 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 686 9.194 -7.704 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 686 10.248 -8.306 -3.070 1.00 0.00 H new ATOM 206 N ILE A 687 8.237 -13.028 -3.025 1.00 0.00 N ATOM 207 CA ILE A 687 8.133 -14.333 -2.383 1.00 0.00 C ATOM 208 C ILE A 687 9.415 -15.133 -2.586 1.00 0.00 C ATOM 209 O ILE A 687 9.928 -15.751 -1.652 1.00 0.00 O ATOM 210 CB ILE A 687 6.952 -15.113 -2.973 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.618 -14.450 -2.583 1.00 0.00 C ATOM 212 CG2 ILE A 687 6.983 -16.552 -2.455 1.00 0.00 C ATOM 213 CD1 ILE A 687 5.323 -14.632 -1.085 1.00 0.00 C ATOM 0 H ILE A 687 7.550 -12.860 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 687 7.975 -14.179 -1.316 1.00 0.00 H new ATOM 0 HB ILE A 687 7.036 -15.111 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.653 -13.387 -2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 687 4.808 -14.883 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.144 -17.108 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 687 7.918 -17.026 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 687 6.910 -16.549 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 687 4.375 -14.153 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 687 5.263 -15.695 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 687 6.121 -14.177 -0.499 1.00 0.00 H new ATOM 225 N ILE A 688 9.929 -15.115 -3.811 1.00 0.00 N ATOM 226 CA ILE A 688 11.155 -15.842 -4.125 1.00 0.00 C ATOM 227 C ILE A 688 12.300 -15.370 -3.236 1.00 0.00 C ATOM 228 O ILE A 688 13.038 -16.181 -2.675 1.00 0.00 O ATOM 229 CB ILE A 688 11.532 -15.628 -5.596 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.518 -16.328 -6.520 1.00 0.00 C ATOM 231 CG2 ILE A 688 12.933 -16.189 -5.848 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.670 -17.856 -6.454 1.00 0.00 C ATOM 0 H ILE A 688 9.520 -14.610 -4.597 1.00 0.00 H new ATOM 0 HA ILE A 688 10.979 -16.903 -3.945 1.00 0.00 H new ATOM 0 HB ILE A 688 11.519 -14.560 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 688 9.505 -16.048 -6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 688 10.662 -15.989 -7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.203 -16.038 -6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.651 -15.674 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 688 12.944 -17.255 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 688 9.941 -18.323 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 688 11.676 -18.135 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 688 10.501 -18.195 -5.432 1.00 0.00 H new ATOM 244 N VAL A 689 12.443 -14.053 -3.111 1.00 0.00 N ATOM 245 CA VAL A 689 13.505 -13.486 -2.287 1.00 0.00 C ATOM 246 C VAL A 689 13.334 -13.903 -0.829 1.00 0.00 C ATOM 247 O VAL A 689 14.305 -14.240 -0.151 1.00 0.00 O ATOM 248 CB VAL A 689 13.485 -11.960 -2.389 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.445 -11.365 -1.355 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.923 -11.538 -3.792 1.00 0.00 C ATOM 0 H VAL A 689 11.843 -13.365 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 689 14.461 -13.862 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 689 12.475 -11.597 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.430 -10.278 -1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 689 14.134 -11.666 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.455 -11.728 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.909 -10.451 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.933 -11.902 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.240 -11.960 -4.529 1.00 0.00 H new ATOM 260 N GLY A 690 12.093 -13.876 -0.353 1.00 0.00 N ATOM 261 CA GLY A 690 11.809 -14.255 1.028 1.00 0.00 C ATOM 262 C GLY A 690 12.160 -15.721 1.265 1.00 0.00 C ATOM 263 O GLY A 690 12.714 -16.074 2.304 1.00 0.00 O ATOM 0 H GLY A 690 11.275 -13.599 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.380 -13.624 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.754 -14.088 1.247 1.00 0.00 H new ATOM 267 N SER A 691 11.838 -16.567 0.293 1.00 0.00 N ATOM 268 CA SER A 691 12.126 -17.991 0.406 1.00 0.00 C ATOM 269 C SER A 691 13.628 -18.224 0.524 1.00 0.00 C ATOM 270 O SER A 691 14.079 -19.043 1.327 1.00 0.00 O ATOM 271 CB SER A 691 11.587 -18.732 -0.817 1.00 0.00 C ATOM 272 OG SER A 691 11.880 -20.118 -0.693 1.00 0.00 O ATOM 0 H SER A 691 11.380 -16.294 -0.577 1.00 0.00 H new ATOM 0 HA SER A 691 11.638 -18.372 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 691 10.511 -18.582 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 691 12.037 -18.333 -1.726 1.00 0.00 H new ATOM 0 HG SER A 691 11.534 -20.597 -1.475 1.00 0.00 H new ATOM 278 N LEU A 692 14.400 -17.501 -0.282 1.00 0.00 N ATOM 279 CA LEU A 692 15.851 -17.638 -0.257 1.00 0.00 C ATOM 280 C LEU A 692 16.403 -17.230 1.106 1.00 0.00 C ATOM 281 O LEU A 692 17.281 -17.897 1.653 1.00 0.00 O ATOM 282 CB LEU A 692 16.484 -16.773 -1.351 1.00 0.00 C ATOM 283 CG LEU A 692 16.745 -17.615 -2.608 1.00 0.00 C ATOM 284 CD1 LEU A 692 17.925 -18.560 -2.359 1.00 0.00 C ATOM 285 CD2 LEU A 692 15.498 -18.435 -2.964 1.00 0.00 C ATOM 0 H LEU A 692 14.048 -16.820 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 692 16.100 -18.683 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 692 15.824 -15.940 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 692 17.419 -16.345 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 692 16.980 -16.948 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 692 18.108 -19.157 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 692 18.815 -17.976 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 692 17.692 -19.220 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 692 15.695 -19.028 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 692 15.250 -19.098 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 692 14.662 -17.762 -3.153 1.00 0.00 H new ATOM 297 N ILE A 693 15.881 -16.134 1.645 1.00 0.00 N ATOM 298 CA ILE A 693 16.327 -15.645 2.945 1.00 0.00 C ATOM 299 C ILE A 693 16.019 -16.666 4.037 1.00 0.00 C ATOM 300 O ILE A 693 16.840 -16.914 4.919 1.00 0.00 O ATOM 301 CB ILE A 693 15.634 -14.321 3.271 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.145 -13.234 2.322 1.00 0.00 C ATOM 303 CG2 ILE A 693 15.945 -13.923 4.715 1.00 0.00 C ATOM 304 CD1 ILE A 693 15.268 -11.988 2.451 1.00 0.00 C ATOM 0 H ILE A 693 15.153 -15.570 1.206 1.00 0.00 H new ATOM 0 HA ILE A 693 17.405 -15.490 2.903 1.00 0.00 H new ATOM 0 HB ILE A 693 14.557 -14.435 3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 693 17.180 -12.988 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 693 16.130 -13.597 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.451 -12.979 4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.584 -14.697 5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 693 17.022 -13.808 4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 693 15.633 -11.215 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 693 14.239 -12.239 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 693 15.306 -11.621 3.477 1.00 0.00 H new ATOM 316 N GLY A 694 14.829 -17.258 3.967 1.00 0.00 N ATOM 317 CA GLY A 694 14.423 -18.252 4.953 1.00 0.00 C ATOM 318 C GLY A 694 15.386 -19.436 4.950 1.00 0.00 C ATOM 319 O GLY A 694 15.882 -19.847 5.998 1.00 0.00 O ATOM 0 H GLY A 694 14.135 -17.068 3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.398 -17.800 5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.413 -18.598 4.734 1.00 0.00 H new ATOM 323 N LEU A 695 15.645 -19.979 3.765 1.00 0.00 N ATOM 324 CA LEU A 695 16.551 -21.114 3.638 1.00 0.00 C ATOM 325 C LEU A 695 17.901 -20.792 4.270 1.00 0.00 C ATOM 326 O LEU A 695 18.442 -21.586 5.040 1.00 0.00 O ATOM 327 CB LEU A 695 16.738 -21.457 2.156 1.00 0.00 C ATOM 328 CG LEU A 695 17.672 -22.661 2.007 1.00 0.00 C ATOM 329 CD1 LEU A 695 17.033 -23.892 2.658 1.00 0.00 C ATOM 330 CD2 LEU A 695 17.909 -22.936 0.520 1.00 0.00 C ATOM 0 H LEU A 695 15.244 -19.654 2.885 1.00 0.00 H new ATOM 0 HA LEU A 695 16.120 -21.970 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 695 15.772 -21.678 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.151 -20.599 1.626 1.00 0.00 H new ATOM 0 HG LEU A 695 18.622 -22.447 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 695 17.700 -24.748 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 695 16.862 -23.696 3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 695 16.083 -24.109 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 695 18.574 -23.793 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 695 16.957 -23.150 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 695 18.365 -22.061 0.056 1.00 0.00 H new ATOM 342 N ARG A 696 18.439 -19.622 3.937 1.00 0.00 N ATOM 343 CA ARG A 696 19.725 -19.204 4.480 1.00 0.00 C ATOM 344 C ARG A 696 19.674 -19.150 6.005 1.00 0.00 C ATOM 345 O ARG A 696 20.559 -19.669 6.683 1.00 0.00 O ATOM 346 CB ARG A 696 20.103 -17.825 3.930 1.00 0.00 C ATOM 347 CG ARG A 696 20.352 -17.905 2.418 1.00 0.00 C ATOM 348 CD ARG A 696 21.643 -18.680 2.135 1.00 0.00 C ATOM 349 NE ARG A 696 21.942 -18.656 0.705 1.00 0.00 N ATOM 350 CZ ARG A 696 22.571 -17.627 0.133 1.00 0.00 C ATOM 351 NH1 ARG A 696 22.938 -16.585 0.836 1.00 0.00 N ATOM 352 NH2 ARG A 696 22.824 -17.660 -1.148 1.00 0.00 N ATOM 0 H ARG A 696 18.008 -18.953 3.299 1.00 0.00 H new ATOM 0 HA ARG A 696 20.477 -19.933 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 696 19.305 -17.112 4.137 1.00 0.00 H new ATOM 0 HB3 ARG A 696 20.997 -17.458 4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 696 19.510 -18.395 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 696 20.423 -16.901 2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 696 22.469 -18.241 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 696 21.539 -19.710 2.475 1.00 0.00 H new ATOM 0 HE ARG A 696 21.662 -19.448 0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 696 22.744 -16.551 1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 696 23.418 -15.807 0.383 1.00 0.00 H new ATOM 0 HH21 ARG A 696 22.541 -18.468 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 696 23.304 -16.878 -1.593 1.00 0.00 H new ATOM 366 N ILE A 697 18.634 -18.517 6.535 1.00 0.00 N ATOM 367 CA ILE A 697 18.479 -18.401 7.980 1.00 0.00 C ATOM 368 C ILE A 697 18.468 -19.782 8.631 1.00 0.00 C ATOM 369 O ILE A 697 19.142 -20.009 9.636 1.00 0.00 O ATOM 370 CB ILE A 697 17.171 -17.673 8.312 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.266 -16.191 7.911 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.894 -17.785 9.813 1.00 0.00 C ATOM 373 CD1 ILE A 697 18.178 -15.418 8.875 1.00 0.00 C ATOM 0 H ILE A 697 17.891 -18.079 5.991 1.00 0.00 H new ATOM 0 HA ILE A 697 19.323 -17.831 8.370 1.00 0.00 H new ATOM 0 HB ILE A 697 16.357 -18.134 7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 697 17.652 -16.109 6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 697 16.271 -15.746 7.910 1.00 0.00 H new ATOM 0 HG21 ILE A 697 15.964 -17.268 10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.806 -18.836 10.089 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.714 -17.331 10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 697 18.228 -14.373 8.569 1.00 0.00 H new ATOM 0 HD12 ILE A 697 17.776 -15.481 9.886 1.00 0.00 H new ATOM 0 HD13 ILE A 697 19.178 -15.850 8.855 1.00 0.00 H new ATOM 385 N VAL A 698 17.698 -20.697 8.053 1.00 0.00 N ATOM 386 CA VAL A 698 17.607 -22.051 8.585 1.00 0.00 C ATOM 387 C VAL A 698 18.986 -22.696 8.646 1.00 0.00 C ATOM 388 O VAL A 698 19.358 -23.296 9.654 1.00 0.00 O ATOM 389 CB VAL A 698 16.686 -22.897 7.704 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.779 -24.364 8.127 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.243 -22.411 7.865 1.00 0.00 C ATOM 0 H VAL A 698 17.132 -20.528 7.222 1.00 0.00 H new ATOM 0 HA VAL A 698 17.198 -21.998 9.594 1.00 0.00 H new ATOM 0 HB VAL A 698 16.990 -22.801 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 698 16.122 -24.966 7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.806 -24.711 8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.474 -24.462 9.169 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.584 -23.012 7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.940 -22.509 8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.175 -21.366 7.564 1.00 0.00 H new ATOM 401 N PHE A 699 19.742 -22.566 7.560 1.00 0.00 N ATOM 402 CA PHE A 699 21.080 -23.138 7.501 1.00 0.00 C ATOM 403 C PHE A 699 21.974 -22.516 8.568 1.00 0.00 C ATOM 404 O PHE A 699 22.735 -23.215 9.236 1.00 0.00 O ATOM 405 CB PHE A 699 21.707 -22.908 6.124 1.00 0.00 C ATOM 406 CG PHE A 699 21.242 -23.973 5.160 1.00 0.00 C ATOM 407 CD1 PHE A 699 21.595 -25.312 5.376 1.00 0.00 C ATOM 408 CD2 PHE A 699 20.471 -23.624 4.047 1.00 0.00 C ATOM 409 CE1 PHE A 699 21.176 -26.300 4.478 1.00 0.00 C ATOM 410 CE2 PHE A 699 20.051 -24.613 3.149 1.00 0.00 C ATOM 411 CZ PHE A 699 20.403 -25.950 3.364 1.00 0.00 C ATOM 0 H PHE A 699 19.452 -22.073 6.715 1.00 0.00 H new ATOM 0 HA PHE A 699 20.993 -24.210 7.681 1.00 0.00 H new ATOM 0 HB2 PHE A 699 21.431 -21.922 5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 699 22.794 -22.927 6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 699 22.191 -25.581 6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 699 20.200 -22.592 3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 699 21.449 -27.332 4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 699 19.455 -24.344 2.290 1.00 0.00 H new ATOM 0 HZ PHE A 699 20.079 -26.712 2.671 1.00 0.00 H new ATOM 421 N ALA A 700 21.874 -21.200 8.722 1.00 0.00 N ATOM 422 CA ALA A 700 22.678 -20.495 9.715 1.00 0.00 C ATOM 423 C ALA A 700 22.344 -20.987 11.119 1.00 0.00 C ATOM 424 O ALA A 700 23.235 -21.193 11.945 1.00 0.00 O ATOM 425 CB ALA A 700 22.422 -18.990 9.623 1.00 0.00 C ATOM 0 H ALA A 700 21.250 -20.604 8.178 1.00 0.00 H new ATOM 0 HA ALA A 700 23.730 -20.695 9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 700 23.026 -18.472 10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.690 -18.635 8.628 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.367 -18.788 9.808 1.00 0.00 H new ATOM 431 N VAL A 701 21.056 -21.174 11.384 1.00 0.00 N ATOM 432 CA VAL A 701 20.617 -21.643 12.693 1.00 0.00 C ATOM 433 C VAL A 701 21.184 -23.030 12.980 1.00 0.00 C ATOM 434 O VAL A 701 21.666 -23.298 14.081 1.00 0.00 O ATOM 435 CB VAL A 701 19.089 -21.694 12.743 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.644 -22.397 14.028 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.533 -20.268 12.724 1.00 0.00 C ATOM 0 H VAL A 701 20.303 -21.010 10.716 1.00 0.00 H new ATOM 0 HA VAL A 701 20.982 -20.949 13.450 1.00 0.00 H new ATOM 0 HB VAL A 701 18.714 -22.244 11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.555 -22.434 14.064 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.042 -23.412 14.044 1.00 0.00 H new ATOM 0 HG13 VAL A 701 19.017 -21.847 14.892 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.444 -20.302 12.760 1.00 0.00 H new ATOM 0 HG22 VAL A 701 18.908 -19.720 13.589 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.851 -19.766 11.810 1.00 0.00 H new ATOM 447 N LEU A 702 21.124 -23.906 11.983 1.00 0.00 N ATOM 448 CA LEU A 702 21.636 -25.263 12.139 1.00 0.00 C ATOM 449 C LEU A 702 23.137 -25.242 12.412 1.00 0.00 C ATOM 450 O LEU A 702 23.632 -25.982 13.263 1.00 0.00 O ATOM 451 CB LEU A 702 21.360 -26.074 10.870 1.00 0.00 C ATOM 452 CG LEU A 702 19.858 -26.338 10.738 1.00 0.00 C ATOM 453 CD1 LEU A 702 19.566 -26.924 9.355 1.00 0.00 C ATOM 454 CD2 LEU A 702 19.411 -27.332 11.816 1.00 0.00 C ATOM 0 H LEU A 702 20.729 -23.703 11.065 1.00 0.00 H new ATOM 0 HA LEU A 702 21.130 -25.727 12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 702 21.721 -25.532 9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 702 21.903 -27.019 10.906 1.00 0.00 H new ATOM 0 HG LEU A 702 19.314 -25.402 10.863 1.00 0.00 H new ATOM 0 HD11 LEU A 702 18.497 -27.113 9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 702 19.881 -26.218 8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 702 20.112 -27.859 9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 702 18.341 -27.517 11.719 1.00 0.00 H new ATOM 0 HD22 LEU A 702 19.954 -28.269 11.695 1.00 0.00 H new ATOM 0 HD23 LEU A 702 19.619 -26.917 12.802 1.00 0.00 H new ATOM 466 N SER A 703 23.855 -24.392 11.687 1.00 0.00 N ATOM 467 CA SER A 703 25.299 -24.285 11.860 1.00 0.00 C ATOM 468 C SER A 703 25.635 -23.840 13.280 1.00 0.00 C ATOM 469 O SER A 703 26.570 -24.351 13.895 1.00 0.00 O ATOM 470 CB SER A 703 25.873 -23.282 10.858 1.00 0.00 C ATOM 471 OG SER A 703 27.279 -23.189 11.041 1.00 0.00 O ATOM 0 H SER A 703 23.464 -23.771 10.978 1.00 0.00 H new ATOM 0 HA SER A 703 25.742 -25.265 11.684 1.00 0.00 H new ATOM 0 HB2 SER A 703 25.647 -23.598 9.840 1.00 0.00 H new ATOM 0 HB3 SER A 703 25.411 -22.305 10.998 1.00 0.00 H new ATOM 0 HG SER A 703 27.651 -22.548 10.399 1.00 0.00 H new ATOM 477 N LEU A 704 24.864 -22.885 13.792 1.00 0.00 N ATOM 478 CA LEU A 704 25.087 -22.377 15.140 1.00 0.00 C ATOM 479 C LEU A 704 24.864 -23.474 16.175 1.00 0.00 C ATOM 480 O LEU A 704 25.628 -23.604 17.130 1.00 0.00 O ATOM 481 CB LEU A 704 24.137 -21.209 15.420 1.00 0.00 C ATOM 482 CG LEU A 704 24.540 -19.998 14.573 1.00 0.00 C ATOM 483 CD1 LEU A 704 23.449 -18.928 14.668 1.00 0.00 C ATOM 484 CD2 LEU A 704 25.863 -19.420 15.091 1.00 0.00 C ATOM 0 H LEU A 704 24.085 -22.451 13.297 1.00 0.00 H new ATOM 0 HA LEU A 704 26.119 -22.034 15.211 1.00 0.00 H new ATOM 0 HB2 LEU A 704 23.112 -21.499 15.191 1.00 0.00 H new ATOM 0 HB3 LEU A 704 24.166 -20.950 16.478 1.00 0.00 H new ATOM 0 HG LEU A 704 24.663 -20.308 13.535 1.00 0.00 H new ATOM 0 HD11 LEU A 704 23.733 -18.065 14.066 1.00 0.00 H new ATOM 0 HD12 LEU A 704 22.508 -19.334 14.298 1.00 0.00 H new ATOM 0 HD13 LEU A 704 23.329 -18.622 15.707 1.00 0.00 H new ATOM 0 HD21 LEU A 704 26.146 -18.559 14.485 1.00 0.00 H new ATOM 0 HD22 LEU A 704 25.743 -19.110 16.129 1.00 0.00 H new ATOM 0 HD23 LEU A 704 26.642 -20.180 15.027 1.00 0.00 H new ATOM 496 N VAL A 705 23.810 -24.262 15.980 1.00 0.00 N ATOM 497 CA VAL A 705 23.497 -25.344 16.904 1.00 0.00 C ATOM 498 C VAL A 705 24.615 -26.381 16.918 1.00 0.00 C ATOM 499 O VAL A 705 25.022 -26.856 17.978 1.00 0.00 O ATOM 500 CB VAL A 705 22.184 -26.014 16.497 1.00 0.00 C ATOM 501 CG1 VAL A 705 21.977 -27.280 17.329 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.022 -25.047 16.743 1.00 0.00 C ATOM 0 H VAL A 705 23.164 -24.172 15.196 1.00 0.00 H new ATOM 0 HA VAL A 705 23.397 -24.923 17.904 1.00 0.00 H new ATOM 0 HB VAL A 705 22.223 -26.277 15.440 1.00 0.00 H new ATOM 0 HG11 VAL A 705 21.041 -27.757 17.039 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.804 -27.968 17.156 1.00 0.00 H new ATOM 0 HG13 VAL A 705 21.938 -27.018 18.386 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.085 -25.523 16.453 1.00 0.00 H new ATOM 0 HG22 VAL A 705 20.984 -24.785 17.800 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.169 -24.144 16.150 1.00 0.00 H new ATOM 512 N ASN A 706 25.107 -26.728 15.733 1.00 0.00 N ATOM 513 CA ASN A 706 26.180 -27.709 15.620 1.00 0.00 C ATOM 514 C ASN A 706 27.413 -27.244 16.386 1.00 0.00 C ATOM 515 O ASN A 706 28.062 -28.032 17.075 1.00 0.00 O ATOM 516 CB ASN A 706 26.539 -27.924 14.148 1.00 0.00 C ATOM 517 CG ASN A 706 27.482 -29.115 14.009 1.00 0.00 C ATOM 518 OD1 ASN A 706 27.370 -30.085 14.759 1.00 0.00 O ATOM 519 ND2 ASN A 706 28.407 -29.101 13.090 1.00 0.00 N ATOM 0 H ASN A 706 24.783 -26.348 14.844 1.00 0.00 H new ATOM 0 HA ASN A 706 25.834 -28.650 16.049 1.00 0.00 H new ATOM 0 HB2 ASN A 706 25.634 -28.097 13.566 1.00 0.00 H new ATOM 0 HB3 ASN A 706 27.011 -27.027 13.746 1.00 0.00 H new ATOM 0 HD21 ASN A 706 29.040 -29.895 12.991 1.00 0.00 H new ATOM 0 HD22 ASN A 706 28.498 -28.296 12.470 1.00 0.00 H new ATOM 526 N ARG A 707 27.731 -25.960 16.261 1.00 0.00 N ATOM 527 CA ARG A 707 28.891 -25.398 16.945 1.00 0.00 C ATOM 528 C ARG A 707 28.710 -25.476 18.458 1.00 0.00 C ATOM 529 O ARG A 707 29.613 -25.902 19.179 1.00 0.00 O ATOM 530 CB ARG A 707 29.088 -23.940 16.527 1.00 0.00 C ATOM 531 CG ARG A 707 29.549 -23.885 15.069 1.00 0.00 C ATOM 532 CD ARG A 707 29.603 -22.429 14.606 1.00 0.00 C ATOM 533 NE ARG A 707 30.591 -21.688 15.385 1.00 0.00 N ATOM 534 CZ ARG A 707 30.709 -20.362 15.290 1.00 0.00 C ATOM 535 NH1 ARG A 707 29.935 -19.675 14.489 1.00 0.00 N ATOM 536 NH2 ARG A 707 31.606 -19.743 16.008 1.00 0.00 N ATOM 0 H ARG A 707 27.206 -25.292 15.696 1.00 0.00 H new ATOM 0 HA ARG A 707 29.771 -25.978 16.665 1.00 0.00 H new ATOM 0 HB2 ARG A 707 28.156 -23.387 16.646 1.00 0.00 H new ATOM 0 HB3 ARG A 707 29.826 -23.462 17.171 1.00 0.00 H new ATOM 0 HG2 ARG A 707 30.532 -24.346 14.970 1.00 0.00 H new ATOM 0 HG3 ARG A 707 28.865 -24.453 14.439 1.00 0.00 H new ATOM 0 HD2 ARG A 707 29.858 -22.386 13.547 1.00 0.00 H new ATOM 0 HD3 ARG A 707 28.622 -21.968 14.717 1.00 0.00 H new ATOM 0 HE ARG A 707 31.207 -22.197 16.019 1.00 0.00 H new ATOM 0 HH11 ARG A 707 29.230 -20.153 13.927 1.00 0.00 H new ATOM 0 HH12 ARG A 707 30.036 -18.662 14.427 1.00 0.00 H new ATOM 0 HH21 ARG A 707 32.211 -20.272 16.636 1.00 0.00 H new ATOM 0 HH22 ARG A 707 31.702 -18.730 15.941 1.00 0.00 H new ATOM 550 N VAL A 708 27.540 -25.062 18.933 1.00 0.00 N ATOM 551 CA VAL A 708 27.256 -25.088 20.363 1.00 0.00 C ATOM 552 C VAL A 708 27.345 -26.512 20.900 1.00 0.00 C ATOM 553 O VAL A 708 27.900 -26.748 21.974 1.00 0.00 O ATOM 554 CB VAL A 708 25.857 -24.529 20.626 1.00 0.00 C ATOM 555 CG1 VAL A 708 25.477 -24.773 22.088 1.00 0.00 C ATOM 556 CG2 VAL A 708 25.850 -23.026 20.340 1.00 0.00 C ATOM 0 H VAL A 708 26.779 -24.707 18.354 1.00 0.00 H new ATOM 0 HA VAL A 708 27.996 -24.472 20.874 1.00 0.00 H new ATOM 0 HB VAL A 708 25.137 -25.027 19.977 1.00 0.00 H new ATOM 0 HG11 VAL A 708 24.480 -24.375 22.276 1.00 0.00 H new ATOM 0 HG12 VAL A 708 25.485 -25.844 22.292 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.195 -24.275 22.739 1.00 0.00 H new ATOM 0 HG21 VAL A 708 24.854 -22.625 20.527 1.00 0.00 H new ATOM 0 HG22 VAL A 708 26.569 -22.528 20.990 1.00 0.00 H new ATOM 0 HG23 VAL A 708 26.122 -22.852 19.299 1.00 0.00 H new ATOM 566 N ARG A 709 26.795 -27.459 20.148 1.00 0.00 N ATOM 567 CA ARG A 709 26.820 -28.859 20.559 1.00 0.00 C ATOM 568 C ARG A 709 28.256 -29.352 20.696 1.00 0.00 C ATOM 569 O ARG A 709 28.561 -30.173 21.560 1.00 0.00 O ATOM 570 CB ARG A 709 26.074 -29.727 19.541 1.00 0.00 C ATOM 571 CG ARG A 709 24.569 -29.439 19.591 1.00 0.00 C ATOM 572 CD ARG A 709 23.963 -30.008 20.879 1.00 0.00 C ATOM 573 NE ARG A 709 22.516 -29.810 20.886 1.00 0.00 N ATOM 574 CZ ARG A 709 21.959 -28.674 21.313 1.00 0.00 C ATOM 575 NH1 ARG A 709 22.697 -27.675 21.730 1.00 0.00 N ATOM 576 NH2 ARG A 709 20.659 -28.558 21.318 1.00 0.00 N ATOM 0 H ARG A 709 26.330 -27.286 19.257 1.00 0.00 H new ATOM 0 HA ARG A 709 26.325 -28.937 21.527 1.00 0.00 H new ATOM 0 HB2 ARG A 709 26.455 -29.531 18.539 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.256 -30.781 19.750 1.00 0.00 H new ATOM 0 HG2 ARG A 709 24.395 -28.364 19.543 1.00 0.00 H new ATOM 0 HG3 ARG A 709 24.078 -29.880 18.724 1.00 0.00 H new ATOM 0 HD2 ARG A 709 24.192 -31.071 20.959 1.00 0.00 H new ATOM 0 HD3 ARG A 709 24.408 -29.520 21.746 1.00 0.00 H new ATOM 0 HE ARG A 709 21.912 -30.562 20.555 1.00 0.00 H new ATOM 0 HH11 ARG A 709 23.714 -27.758 21.732 1.00 0.00 H new ATOM 0 HH12 ARG A 709 22.255 -26.814 22.053 1.00 0.00 H new ATOM 0 HH21 ARG A 709 20.077 -29.332 20.997 1.00 0.00 H new ATOM 0 HH22 ARG A 709 20.225 -27.694 21.643 1.00 0.00 H new ATOM 590 N GLN A 710 29.135 -28.845 19.835 1.00 0.00 N ATOM 591 CA GLN A 710 30.535 -29.242 19.870 1.00 0.00 C ATOM 592 C GLN A 710 30.664 -30.757 19.762 1.00 0.00 C ATOM 593 O GLN A 710 31.093 -31.423 20.704 1.00 0.00 O ATOM 594 CB GLN A 710 31.179 -28.802 21.195 1.00 0.00 C ATOM 595 CG GLN A 710 31.509 -27.308 21.172 1.00 0.00 C ATOM 596 CD GLN A 710 32.517 -27.008 20.066 1.00 0.00 C ATOM 597 OE1 GLN A 710 33.753 -27.406 20.200 1.00 0.00 O flip ATOM 598 NE2 GLN A 710 32.170 -26.395 19.055 1.00 0.00 N flip ATOM 0 H GLN A 710 28.903 -28.164 19.111 1.00 0.00 H new ATOM 0 HA GLN A 710 31.038 -28.765 19.029 1.00 0.00 H new ATOM 0 HB2 GLN A 710 30.502 -29.016 22.022 1.00 0.00 H new ATOM 0 HB3 GLN A 710 32.088 -29.377 21.371 1.00 0.00 H new ATOM 0 HG2 GLN A 710 30.599 -26.730 21.012 1.00 0.00 H new ATOM 0 HG3 GLN A 710 31.915 -27.003 22.137 1.00 0.00 H new ATOM 0 HE21 GLN A 710 31.204 -26.085 18.953 1.00 0.00 H new ATOM 0 HE22 GLN A 710 32.849 -26.197 18.320 1.00 0.00 H new ATOM 607 N GLY A 711 30.274 -31.298 18.615 1.00 0.00 N ATOM 608 CA GLY A 711 30.348 -32.737 18.407 1.00 0.00 C ATOM 609 C GLY A 711 31.790 -33.205 18.541 1.00 0.00 C ATOM 610 O GLY A 711 32.063 -34.261 19.111 1.00 0.00 O ATOM 0 H GLY A 711 29.908 -30.769 17.824 1.00 0.00 H new ATOM 0 HA2 GLY A 711 29.720 -33.251 19.135 1.00 0.00 H new ATOM 0 HA3 GLY A 711 29.964 -32.991 17.419 1.00 0.00 H new ATOM 614 N TYR A 712 32.709 -32.401 18.017 1.00 0.00 N ATOM 615 CA TYR A 712 34.126 -32.724 18.087 1.00 0.00 C ATOM 616 C TYR A 712 34.904 -31.547 18.668 1.00 0.00 C ATOM 617 O TYR A 712 34.567 -30.388 18.428 1.00 0.00 O ATOM 618 CB TYR A 712 34.658 -33.050 16.691 1.00 0.00 C ATOM 619 CG TYR A 712 33.930 -34.253 16.143 1.00 0.00 C ATOM 620 CD1 TYR A 712 34.407 -35.542 16.409 1.00 0.00 C ATOM 621 CD2 TYR A 712 32.776 -34.081 15.369 1.00 0.00 C ATOM 622 CE1 TYR A 712 33.733 -36.657 15.901 1.00 0.00 C ATOM 623 CE2 TYR A 712 32.100 -35.196 14.862 1.00 0.00 C ATOM 624 CZ TYR A 712 32.579 -36.485 15.127 1.00 0.00 C ATOM 625 OH TYR A 712 31.915 -37.586 14.626 1.00 0.00 O ATOM 0 H TYR A 712 32.497 -31.524 17.541 1.00 0.00 H new ATOM 0 HA TYR A 712 34.255 -33.592 18.733 1.00 0.00 H new ATOM 0 HB2 TYR A 712 34.520 -32.195 16.029 1.00 0.00 H new ATOM 0 HB3 TYR A 712 35.729 -33.249 16.736 1.00 0.00 H new ATOM 0 HD1 TYR A 712 35.296 -35.675 17.007 1.00 0.00 H new ATOM 0 HD2 TYR A 712 32.407 -33.087 15.163 1.00 0.00 H new ATOM 0 HE1 TYR A 712 34.103 -37.651 16.106 1.00 0.00 H new ATOM 0 HE2 TYR A 712 31.209 -35.063 14.266 1.00 0.00 H new ATOM 0 HH TYR A 712 31.134 -37.291 14.112 1.00 0.00 H new ATOM 635 N SER A 713 35.947 -31.853 19.432 1.00 0.00 N ATOM 636 CA SER A 713 36.768 -30.813 20.040 1.00 0.00 C ATOM 637 C SER A 713 38.234 -31.046 19.703 1.00 0.00 C ATOM 638 O SER A 713 39.049 -31.342 20.578 1.00 0.00 O ATOM 639 CB SER A 713 36.582 -30.814 21.558 1.00 0.00 C ATOM 640 OG SER A 713 36.884 -32.107 22.068 1.00 0.00 O ATOM 0 H SER A 713 36.242 -32.806 19.644 1.00 0.00 H new ATOM 0 HA SER A 713 36.458 -29.846 19.645 1.00 0.00 H new ATOM 0 HB2 SER A 713 37.232 -30.069 22.016 1.00 0.00 H new ATOM 0 HB3 SER A 713 35.557 -30.541 21.811 1.00 0.00 H new ATOM 0 HG SER A 713 37.790 -32.362 21.797 1.00 0.00 H new ATOM 646 N PRO A 714 38.570 -30.925 18.449 1.00 0.00 N ATOM 647 CA PRO A 714 39.962 -31.132 17.950 1.00 0.00 C ATOM 648 C PRO A 714 40.911 -30.020 18.388 1.00 0.00 C ATOM 649 O PRO A 714 40.496 -28.880 18.595 1.00 0.00 O ATOM 650 CB PRO A 714 39.798 -31.141 16.430 1.00 0.00 C ATOM 651 CG PRO A 714 38.577 -30.324 16.173 1.00 0.00 C ATOM 652 CD PRO A 714 37.648 -30.572 17.357 1.00 0.00 C ATOM 0 HA PRO A 714 40.405 -32.046 18.346 1.00 0.00 H new ATOM 0 HB2 PRO A 714 40.671 -30.714 15.936 1.00 0.00 H new ATOM 0 HB3 PRO A 714 39.682 -32.156 16.051 1.00 0.00 H new ATOM 0 HG2 PRO A 714 38.826 -29.266 16.088 1.00 0.00 H new ATOM 0 HG3 PRO A 714 38.102 -30.616 15.236 1.00 0.00 H new ATOM 0 HD2 PRO A 714 37.060 -29.686 17.598 1.00 0.00 H new ATOM 0 HD3 PRO A 714 36.942 -31.377 17.152 1.00 0.00 H new ATOM 660 N LEU A 715 42.187 -30.366 18.524 1.00 0.00 N ATOM 661 CA LEU A 715 43.193 -29.395 18.934 1.00 0.00 C ATOM 662 C LEU A 715 43.296 -28.268 17.911 1.00 0.00 C ATOM 663 O LEU A 715 43.363 -27.093 18.273 1.00 0.00 O ATOM 664 CB LEU A 715 44.553 -30.087 19.081 1.00 0.00 C ATOM 665 CG LEU A 715 45.621 -29.068 19.496 1.00 0.00 C ATOM 666 CD1 LEU A 715 45.264 -28.469 20.858 1.00 0.00 C ATOM 667 CD2 LEU A 715 46.978 -29.771 19.594 1.00 0.00 C ATOM 0 H LEU A 715 42.547 -31.306 18.357 1.00 0.00 H new ATOM 0 HA LEU A 715 42.897 -28.970 19.893 1.00 0.00 H new ATOM 0 HB2 LEU A 715 44.487 -30.880 19.826 1.00 0.00 H new ATOM 0 HB3 LEU A 715 44.834 -30.557 18.139 1.00 0.00 H new ATOM 0 HG LEU A 715 45.669 -28.272 18.753 1.00 0.00 H new ATOM 0 HD11 LEU A 715 46.026 -27.746 21.148 1.00 0.00 H new ATOM 0 HD12 LEU A 715 44.296 -27.971 20.794 1.00 0.00 H new ATOM 0 HD13 LEU A 715 45.215 -29.263 21.603 1.00 0.00 H new ATOM 0 HD21 LEU A 715 47.741 -29.050 19.889 1.00 0.00 H new ATOM 0 HD22 LEU A 715 46.923 -30.566 20.338 1.00 0.00 H new ATOM 0 HD23 LEU A 715 47.237 -30.198 18.625 1.00 0.00 H new ATOM 679 N SER A 716 43.310 -28.634 16.633 1.00 0.00 N ATOM 680 CA SER A 716 43.406 -27.645 15.566 1.00 0.00 C ATOM 681 C SER A 716 42.108 -27.585 14.769 1.00 0.00 C ATOM 682 O SER A 716 41.747 -28.593 14.184 1.00 0.00 O ATOM 683 CB SER A 716 44.565 -27.995 14.630 1.00 0.00 C ATOM 684 OG SER A 716 44.337 -29.277 14.061 1.00 0.00 O ATOM 685 OXT SER A 716 41.493 -26.530 14.754 1.00 0.00 O ATOM 0 H SER A 716 43.256 -29.601 16.313 1.00 0.00 H new ATOM 0 HA SER A 716 43.586 -26.670 16.019 1.00 0.00 H new ATOM 0 HB2 SER A 716 44.652 -27.245 13.843 1.00 0.00 H new ATOM 0 HB3 SER A 716 45.506 -27.990 15.180 1.00 0.00 H new ATOM 0 HG SER A 716 43.373 -29.427 13.969 1.00 0.00 H new TER 691 SER A 716