USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=6 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) 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 -32:sc= 0.919 USER MOD Single : A 706 ASN : amide:sc= -0.0302 K(o=-0.03,f=-1.9!) USER MOD Single : A 710 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot -93:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 677 -1.769 -6.577 -12.903 1.00 0.00 N ATOM 2 CA ASN A 677 -1.120 -7.308 -14.028 1.00 0.00 C ATOM 3 C ASN A 677 0.360 -7.504 -13.717 1.00 0.00 C ATOM 4 O ASN A 677 0.820 -8.629 -13.530 1.00 0.00 O ATOM 5 CB ASN A 677 -1.280 -6.499 -15.318 1.00 0.00 C ATOM 6 CG ASN A 677 -2.719 -6.011 -15.450 1.00 0.00 C ATOM 7 OD1 ASN A 677 -2.963 -4.805 -15.507 1.00 0.00 O ATOM 8 ND2 ASN A 677 -3.691 -6.879 -15.501 1.00 0.00 N ATOM 0 HA ASN A 677 -1.591 -8.283 -14.155 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -0.598 -5.649 -15.311 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -1.015 -7.114 -16.178 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -4.656 -6.560 -15.588 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -3.486 -7.877 -15.454 1.00 0.00 H new ATOM 17 N TRP A 678 1.096 -6.400 -13.641 1.00 0.00 N ATOM 18 CA TRP A 678 2.519 -6.464 -13.328 1.00 0.00 C ATOM 19 C TRP A 678 2.729 -6.845 -11.865 1.00 0.00 C ATOM 20 O TRP A 678 3.677 -7.553 -11.530 1.00 0.00 O ATOM 21 CB TRP A 678 3.174 -5.109 -13.599 1.00 0.00 C ATOM 22 CG TRP A 678 3.246 -4.876 -15.074 1.00 0.00 C ATOM 23 CD1 TRP A 678 2.352 -4.159 -15.792 1.00 0.00 C ATOM 24 CD2 TRP A 678 4.249 -5.346 -16.021 1.00 0.00 C ATOM 25 NE1 TRP A 678 2.742 -4.158 -17.120 1.00 0.00 N ATOM 26 CE2 TRP A 678 3.906 -4.877 -17.310 1.00 0.00 C ATOM 27 CE3 TRP A 678 5.413 -6.126 -15.887 1.00 0.00 C ATOM 28 CZ2 TRP A 678 4.688 -5.172 -18.428 1.00 0.00 C ATOM 29 CZ3 TRP A 678 6.202 -6.425 -17.010 1.00 0.00 C ATOM 30 CH2 TRP A 678 5.839 -5.948 -18.278 1.00 0.00 C ATOM 0 H TRP A 678 0.735 -5.458 -13.790 1.00 0.00 H new ATOM 0 HA TRP A 678 2.977 -7.224 -13.961 1.00 0.00 H new ATOM 0 HB2 TRP A 678 2.601 -4.314 -13.122 1.00 0.00 H new ATOM 0 HB3 TRP A 678 4.174 -5.084 -13.167 1.00 0.00 H new ATOM 0 HD1 TRP A 678 1.477 -3.667 -15.394 1.00 0.00 H new ATOM 0 HE1 TRP A 678 2.233 -3.685 -17.866 1.00 0.00 H new ATOM 0 HE3 TRP A 678 5.701 -6.497 -14.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 4.405 -4.802 -19.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 7.093 -7.025 -16.896 1.00 0.00 H new ATOM 0 HH2 TRP A 678 6.449 -6.181 -19.138 1.00 0.00 H new ATOM 41 N LEU A 679 1.837 -6.372 -11.001 1.00 0.00 N ATOM 42 CA LEU A 679 1.933 -6.671 -9.578 1.00 0.00 C ATOM 43 C LEU A 679 2.073 -8.174 -9.354 1.00 0.00 C ATOM 44 O LEU A 679 2.743 -8.612 -8.421 1.00 0.00 O ATOM 45 CB LEU A 679 0.686 -6.163 -8.851 1.00 0.00 C ATOM 46 CG LEU A 679 0.687 -4.632 -8.829 1.00 0.00 C ATOM 47 CD1 LEU A 679 -0.672 -4.133 -8.328 1.00 0.00 C ATOM 48 CD2 LEU A 679 1.789 -4.128 -7.891 1.00 0.00 C ATOM 0 H LEU A 679 1.045 -5.784 -11.259 1.00 0.00 H new ATOM 0 HA LEU A 679 2.816 -6.170 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.211 -6.528 -9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 679 0.664 -6.551 -7.832 1.00 0.00 H new ATOM 0 HG LEU A 679 0.871 -4.256 -9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 679 -0.676 -3.043 -8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 679 -1.458 -4.488 -8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 679 -0.851 -4.512 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 679 1.786 -3.038 -7.879 1.00 0.00 H new ATOM 0 HD22 LEU A 679 1.609 -4.503 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 679 2.757 -4.484 -8.243 1.00 0.00 H new ATOM 60 N TRP A 680 1.435 -8.956 -10.217 1.00 0.00 N ATOM 61 CA TRP A 680 1.494 -10.409 -10.104 1.00 0.00 C ATOM 62 C TRP A 680 2.941 -10.893 -10.148 1.00 0.00 C ATOM 63 O TRP A 680 3.364 -11.692 -9.314 1.00 0.00 O ATOM 64 CB TRP A 680 0.705 -11.052 -11.245 1.00 0.00 C ATOM 65 CG TRP A 680 0.790 -12.541 -11.136 1.00 0.00 C ATOM 66 CD1 TRP A 680 0.850 -13.232 -9.976 1.00 0.00 C ATOM 67 CD2 TRP A 680 0.824 -13.529 -12.205 1.00 0.00 C ATOM 68 NE1 TRP A 680 0.920 -14.583 -10.264 1.00 0.00 N ATOM 69 CE2 TRP A 680 0.908 -14.817 -11.625 1.00 0.00 C ATOM 70 CE3 TRP A 680 0.793 -13.435 -13.609 1.00 0.00 C ATOM 71 CZ2 TRP A 680 0.957 -15.971 -12.409 1.00 0.00 C ATOM 72 CZ3 TRP A 680 0.843 -14.595 -14.400 1.00 0.00 C ATOM 73 CH2 TRP A 680 0.926 -15.860 -13.801 1.00 0.00 C ATOM 0 H TRP A 680 0.875 -8.612 -10.997 1.00 0.00 H new ATOM 0 HA TRP A 680 1.055 -10.699 -9.149 1.00 0.00 H new ATOM 0 HB2 TRP A 680 -0.337 -10.733 -11.205 1.00 0.00 H new ATOM 0 HB3 TRP A 680 1.102 -10.724 -12.206 1.00 0.00 H new ATOM 0 HD1 TRP A 680 0.844 -12.800 -8.986 1.00 0.00 H new ATOM 0 HE1 TRP A 680 0.974 -15.317 -9.558 1.00 0.00 H new ATOM 0 HE3 TRP A 680 0.730 -12.466 -14.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 1.018 -16.943 -11.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 0.817 -14.512 -15.476 1.00 0.00 H new ATOM 0 HH2 TRP A 680 0.966 -16.747 -14.415 1.00 0.00 H new ATOM 84 N TYR A 681 3.693 -10.399 -11.126 1.00 0.00 N ATOM 85 CA TYR A 681 5.092 -10.788 -11.270 1.00 0.00 C ATOM 86 C TYR A 681 5.919 -10.254 -10.104 1.00 0.00 C ATOM 87 O TYR A 681 6.841 -10.920 -9.632 1.00 0.00 O ATOM 88 CB TYR A 681 5.651 -10.243 -12.586 1.00 0.00 C ATOM 89 CG TYR A 681 4.988 -10.949 -13.744 1.00 0.00 C ATOM 90 CD1 TYR A 681 5.537 -12.134 -14.249 1.00 0.00 C ATOM 91 CD2 TYR A 681 3.826 -10.418 -14.315 1.00 0.00 C ATOM 92 CE1 TYR A 681 4.922 -12.788 -15.323 1.00 0.00 C ATOM 93 CE2 TYR A 681 3.211 -11.071 -15.390 1.00 0.00 C ATOM 94 CZ TYR A 681 3.759 -12.257 -15.893 1.00 0.00 C ATOM 95 OH TYR A 681 3.154 -12.901 -16.954 1.00 0.00 O ATOM 0 H TYR A 681 3.362 -9.734 -11.825 1.00 0.00 H new ATOM 0 HA TYR A 681 5.150 -11.876 -11.273 1.00 0.00 H new ATOM 0 HB2 TYR A 681 5.475 -9.169 -12.652 1.00 0.00 H new ATOM 0 HB3 TYR A 681 6.730 -10.392 -12.625 1.00 0.00 H new ATOM 0 HD1 TYR A 681 6.435 -12.543 -13.810 1.00 0.00 H new ATOM 0 HD2 TYR A 681 3.403 -9.504 -13.926 1.00 0.00 H new ATOM 0 HE1 TYR A 681 5.345 -13.702 -15.712 1.00 0.00 H new ATOM 0 HE2 TYR A 681 2.315 -10.660 -15.831 1.00 0.00 H new ATOM 0 HH TYR A 681 2.358 -12.401 -17.229 1.00 0.00 H new ATOM 105 N ILE A 682 5.586 -9.052 -9.648 1.00 0.00 N ATOM 106 CA ILE A 682 6.308 -8.445 -8.536 1.00 0.00 C ATOM 107 C ILE A 682 6.145 -9.283 -7.272 1.00 0.00 C ATOM 108 O ILE A 682 7.105 -9.502 -6.532 1.00 0.00 O ATOM 109 CB ILE A 682 5.791 -7.027 -8.287 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.196 -6.127 -9.459 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.397 -6.483 -6.993 1.00 0.00 C ATOM 112 CD1 ILE A 682 5.458 -4.789 -9.362 1.00 0.00 C ATOM 0 H ILE A 682 4.829 -8.483 -10.026 1.00 0.00 H new ATOM 0 HA ILE A 682 7.366 -8.401 -8.794 1.00 0.00 H new ATOM 0 HB ILE A 682 4.705 -7.045 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 682 7.273 -5.961 -9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 682 5.960 -6.616 -10.404 1.00 0.00 H new ATOM 0 HG21 ILE A 682 6.029 -5.473 -6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 682 6.112 -7.125 -6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.483 -6.463 -7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 682 5.749 -4.152 -10.197 1.00 0.00 H new ATOM 0 HD12 ILE A 682 4.383 -4.963 -9.396 1.00 0.00 H new ATOM 0 HD13 ILE A 682 5.717 -4.298 -8.424 1.00 0.00 H new ATOM 124 N ARG A 683 4.923 -9.747 -7.031 1.00 0.00 N ATOM 125 CA ARG A 683 4.647 -10.560 -5.853 1.00 0.00 C ATOM 126 C ARG A 683 5.484 -11.836 -5.874 1.00 0.00 C ATOM 127 O ARG A 683 6.077 -12.217 -4.864 1.00 0.00 O ATOM 128 CB ARG A 683 3.160 -10.919 -5.789 1.00 0.00 C ATOM 129 CG ARG A 683 2.349 -9.671 -5.432 1.00 0.00 C ATOM 130 CD ARG A 683 0.858 -10.017 -5.417 1.00 0.00 C ATOM 131 NE ARG A 683 0.071 -8.841 -5.060 1.00 0.00 N ATOM 132 CZ ARG A 683 -1.261 -8.886 -4.981 1.00 0.00 C ATOM 133 NH1 ARG A 683 -1.910 -9.997 -5.222 1.00 0.00 N ATOM 134 NH2 ARG A 683 -1.923 -7.808 -4.658 1.00 0.00 N ATOM 0 H ARG A 683 4.115 -9.576 -7.630 1.00 0.00 H new ATOM 0 HA ARG A 683 4.911 -9.979 -4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.830 -11.318 -6.748 1.00 0.00 H new ATOM 0 HB3 ARG A 683 2.995 -11.698 -5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 683 2.655 -9.292 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 683 2.542 -8.880 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 683 0.553 -10.384 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 683 0.671 -10.819 -4.703 1.00 0.00 H new ATOM 0 HE ARG A 683 0.551 -7.962 -4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 683 -1.398 -10.842 -5.474 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -2.928 -10.017 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 683 -1.422 -6.940 -4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -2.941 -7.834 -4.596 1.00 0.00 H new ATOM 148 N ILE A 684 5.526 -12.492 -7.029 1.00 0.00 N ATOM 149 CA ILE A 684 6.296 -13.722 -7.167 1.00 0.00 C ATOM 150 C ILE A 684 7.760 -13.483 -6.809 1.00 0.00 C ATOM 151 O ILE A 684 8.353 -14.242 -6.042 1.00 0.00 O ATOM 152 CB ILE A 684 6.199 -14.241 -8.603 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.774 -14.725 -8.874 1.00 0.00 C ATOM 154 CG2 ILE A 684 7.176 -15.402 -8.793 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.598 -14.983 -10.372 1.00 0.00 C ATOM 0 H ILE A 684 5.041 -12.196 -7.876 1.00 0.00 H new ATOM 0 HA ILE A 684 5.883 -14.464 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 684 6.449 -13.439 -9.297 1.00 0.00 H new ATOM 0 HG12 ILE A 684 4.575 -15.637 -8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 684 4.055 -13.979 -8.536 1.00 0.00 H new ATOM 0 HG21 ILE A 684 7.107 -15.772 -9.816 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.192 -15.058 -8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.926 -16.205 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.582 -15.328 -10.565 1.00 0.00 H new ATOM 0 HD12 ILE A 684 4.779 -14.061 -10.924 1.00 0.00 H new ATOM 0 HD13 ILE A 684 5.307 -15.745 -10.696 1.00 0.00 H new ATOM 167 N PHE A 685 8.336 -12.427 -7.370 1.00 0.00 N ATOM 168 CA PHE A 685 9.733 -12.101 -7.102 1.00 0.00 C ATOM 169 C PHE A 685 9.950 -11.869 -5.611 1.00 0.00 C ATOM 170 O PHE A 685 10.955 -12.302 -5.046 1.00 0.00 O ATOM 171 CB PHE A 685 10.135 -10.846 -7.880 1.00 0.00 C ATOM 172 CG PHE A 685 11.581 -10.518 -7.596 1.00 0.00 C ATOM 173 CD1 PHE A 685 11.902 -9.506 -6.683 1.00 0.00 C ATOM 174 CD2 PHE A 685 12.600 -11.225 -8.244 1.00 0.00 C ATOM 175 CE1 PHE A 685 13.244 -9.202 -6.417 1.00 0.00 C ATOM 176 CE2 PHE A 685 13.941 -10.920 -7.980 1.00 0.00 C ATOM 177 CZ PHE A 685 14.263 -9.909 -7.067 1.00 0.00 C ATOM 0 H PHE A 685 7.864 -11.786 -8.008 1.00 0.00 H new ATOM 0 HA PHE A 685 10.351 -12.940 -7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.991 -11.006 -8.948 1.00 0.00 H new ATOM 0 HB3 PHE A 685 9.498 -10.009 -7.594 1.00 0.00 H new ATOM 0 HD1 PHE A 685 11.115 -8.960 -6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 685 12.352 -12.006 -8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 685 13.492 -8.423 -5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 685 14.727 -11.465 -8.481 1.00 0.00 H new ATOM 0 HZ PHE A 685 15.297 -9.674 -6.864 1.00 0.00 H new ATOM 187 N ILE A 686 9.004 -11.182 -4.981 1.00 0.00 N ATOM 188 CA ILE A 686 9.105 -10.900 -3.554 1.00 0.00 C ATOM 189 C ILE A 686 9.136 -12.198 -2.754 1.00 0.00 C ATOM 190 O ILE A 686 9.968 -12.371 -1.863 1.00 0.00 O ATOM 191 CB ILE A 686 7.923 -10.043 -3.098 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.059 -8.636 -3.686 1.00 0.00 C ATOM 193 CG2 ILE A 686 7.913 -9.956 -1.571 1.00 0.00 C ATOM 194 CD1 ILE A 686 6.747 -7.872 -3.492 1.00 0.00 C ATOM 0 H ILE A 686 8.166 -10.813 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 686 10.032 -10.354 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 686 6.993 -10.495 -3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 686 8.877 -8.105 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 686 8.304 -8.696 -4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.070 -9.345 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.819 -10.957 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 686 8.843 -9.504 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 686 6.844 -6.870 -3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 686 5.940 -8.401 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 686 6.522 -7.800 -2.428 1.00 0.00 H new ATOM 206 N ILE A 687 8.222 -13.108 -3.077 1.00 0.00 N ATOM 207 CA ILE A 687 8.153 -14.389 -2.385 1.00 0.00 C ATOM 208 C ILE A 687 9.452 -15.168 -2.571 1.00 0.00 C ATOM 209 O ILE A 687 9.960 -15.781 -1.630 1.00 0.00 O ATOM 210 CB ILE A 687 6.982 -15.213 -2.923 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.664 -14.554 -2.507 1.00 0.00 C ATOM 212 CG2 ILE A 687 7.045 -16.629 -2.349 1.00 0.00 C ATOM 213 CD1 ILE A 687 4.506 -15.206 -3.266 1.00 0.00 C ATOM 0 H ILE A 687 7.523 -12.983 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 687 8.004 -14.198 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 687 7.041 -15.260 -4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.515 -14.661 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 687 5.696 -13.485 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.210 -17.215 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 687 7.984 -17.099 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 687 6.986 -16.584 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 687 3.567 -14.737 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 687 4.655 -15.076 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 687 4.470 -16.270 -3.031 1.00 0.00 H new ATOM 225 N ILE A 688 9.981 -15.143 -3.788 1.00 0.00 N ATOM 226 CA ILE A 688 11.222 -15.850 -4.089 1.00 0.00 C ATOM 227 C ILE A 688 12.358 -15.337 -3.212 1.00 0.00 C ATOM 228 O ILE A 688 13.120 -16.121 -2.646 1.00 0.00 O ATOM 229 CB ILE A 688 11.592 -15.663 -5.564 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.597 -16.415 -6.465 1.00 0.00 C ATOM 231 CG2 ILE A 688 13.007 -16.195 -5.805 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.826 -17.931 -6.390 1.00 0.00 C ATOM 0 H ILE A 688 9.574 -14.644 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 688 11.068 -16.910 -3.886 1.00 0.00 H new ATOM 0 HB ILE A 688 11.552 -14.601 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 688 9.577 -16.182 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 688 10.707 -16.077 -7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.272 -16.063 -6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.713 -15.647 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 688 13.045 -17.255 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 688 10.110 -18.440 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 688 11.839 -18.163 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 688 10.692 -18.269 -5.362 1.00 0.00 H new ATOM 244 N VAL A 689 12.466 -14.017 -3.101 1.00 0.00 N ATOM 245 CA VAL A 689 13.516 -13.411 -2.288 1.00 0.00 C ATOM 246 C VAL A 689 13.346 -13.790 -0.822 1.00 0.00 C ATOM 247 O VAL A 689 14.319 -14.115 -0.138 1.00 0.00 O ATOM 248 CB VAL A 689 13.473 -11.888 -2.433 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.422 -11.253 -1.415 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.909 -11.498 -3.847 1.00 0.00 C ATOM 0 H VAL A 689 11.845 -13.350 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 689 14.480 -13.783 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 689 12.458 -11.534 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.392 -10.168 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 689 14.114 -11.531 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.437 -11.607 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.879 -10.413 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.925 -11.851 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.235 -11.951 -4.574 1.00 0.00 H new ATOM 260 N GLY A 690 12.108 -13.750 -0.342 1.00 0.00 N ATOM 261 CA GLY A 690 11.827 -14.091 1.048 1.00 0.00 C ATOM 262 C GLY A 690 12.179 -15.550 1.322 1.00 0.00 C ATOM 263 O GLY A 690 12.724 -15.878 2.378 1.00 0.00 O ATOM 0 H GLY A 690 11.289 -13.487 -0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.400 -13.442 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.773 -13.918 1.265 1.00 0.00 H new ATOM 267 N SER A 691 11.864 -16.420 0.371 1.00 0.00 N ATOM 268 CA SER A 691 12.152 -17.841 0.523 1.00 0.00 C ATOM 269 C SER A 691 13.654 -18.072 0.641 1.00 0.00 C ATOM 270 O SER A 691 14.105 -18.878 1.453 1.00 0.00 O ATOM 271 CB SER A 691 11.608 -18.616 -0.677 1.00 0.00 C ATOM 272 OG SER A 691 11.901 -19.998 -0.514 1.00 0.00 O ATOM 0 H SER A 691 11.412 -16.169 -0.508 1.00 0.00 H new ATOM 0 HA SER A 691 11.668 -18.195 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 691 10.531 -18.468 -0.763 1.00 0.00 H new ATOM 0 HB3 SER A 691 12.055 -18.244 -1.599 1.00 0.00 H new ATOM 0 HG SER A 691 11.552 -20.499 -1.281 1.00 0.00 H new ATOM 278 N LEU A 692 14.424 -17.361 -0.177 1.00 0.00 N ATOM 279 CA LEU A 692 15.875 -17.500 -0.154 1.00 0.00 C ATOM 280 C LEU A 692 16.435 -17.046 1.191 1.00 0.00 C ATOM 281 O LEU A 692 17.292 -17.711 1.774 1.00 0.00 O ATOM 282 CB LEU A 692 16.505 -16.675 -1.280 1.00 0.00 C ATOM 283 CG LEU A 692 16.789 -17.566 -2.498 1.00 0.00 C ATOM 284 CD1 LEU A 692 17.971 -18.493 -2.193 1.00 0.00 C ATOM 285 CD2 LEU A 692 15.551 -18.409 -2.837 1.00 0.00 C ATOM 0 H LEU A 692 14.071 -16.689 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 692 16.120 -18.552 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 692 15.836 -15.863 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 692 17.431 -16.218 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 692 17.032 -16.932 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 692 18.171 -19.125 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 692 18.854 -17.895 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 692 17.730 -19.120 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 692 15.764 -19.037 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 692 15.296 -19.039 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 692 14.713 -17.750 -3.064 1.00 0.00 H new ATOM 297 N ILE A 693 15.944 -15.910 1.675 1.00 0.00 N ATOM 298 CA ILE A 693 16.403 -15.373 2.951 1.00 0.00 C ATOM 299 C ILE A 693 16.100 -16.350 4.084 1.00 0.00 C ATOM 300 O ILE A 693 16.924 -16.562 4.972 1.00 0.00 O ATOM 301 CB ILE A 693 15.721 -14.034 3.232 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.232 -12.984 2.242 1.00 0.00 C ATOM 303 CG2 ILE A 693 16.041 -13.586 4.659 1.00 0.00 C ATOM 304 CD1 ILE A 693 15.360 -11.729 2.333 1.00 0.00 C ATOM 0 H ILE A 693 15.234 -15.347 1.207 1.00 0.00 H new ATOM 0 HA ILE A 693 17.481 -15.224 2.893 1.00 0.00 H new ATOM 0 HB ILE A 693 14.643 -14.146 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 693 17.270 -12.735 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 693 16.209 -13.383 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.554 -12.631 4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.678 -14.333 5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 693 17.119 -13.474 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 693 15.724 -10.981 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 693 14.328 -11.984 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 693 15.406 -11.326 3.345 1.00 0.00 H new ATOM 316 N GLY A 694 14.909 -16.942 4.046 1.00 0.00 N ATOM 317 CA GLY A 694 14.504 -17.894 5.074 1.00 0.00 C ATOM 318 C GLY A 694 15.435 -19.102 5.083 1.00 0.00 C ATOM 319 O GLY A 694 15.923 -19.513 6.135 1.00 0.00 O ATOM 0 H GLY A 694 14.212 -16.780 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.517 -17.410 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.479 -18.219 4.893 1.00 0.00 H new ATOM 323 N LEU A 695 15.672 -19.668 3.903 1.00 0.00 N ATOM 324 CA LEU A 695 16.547 -20.830 3.788 1.00 0.00 C ATOM 325 C LEU A 695 17.906 -20.539 4.418 1.00 0.00 C ATOM 326 O LEU A 695 18.441 -21.355 5.169 1.00 0.00 O ATOM 327 CB LEU A 695 16.731 -21.181 2.307 1.00 0.00 C ATOM 328 CG LEU A 695 17.649 -22.399 2.160 1.00 0.00 C ATOM 329 CD1 LEU A 695 17.001 -23.623 2.819 1.00 0.00 C ATOM 330 CD2 LEU A 695 17.878 -22.678 0.672 1.00 0.00 C ATOM 0 H LEU A 695 15.275 -19.345 3.021 1.00 0.00 H new ATOM 0 HA LEU A 695 16.092 -21.670 4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 695 15.763 -21.390 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.156 -20.330 1.775 1.00 0.00 H new ATOM 0 HG LEU A 695 18.602 -22.196 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 695 17.659 -24.485 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 695 16.837 -23.422 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 695 16.046 -23.833 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 695 18.531 -23.544 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 695 16.922 -22.879 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 695 18.344 -21.810 0.207 1.00 0.00 H new ATOM 342 N ARG A 696 18.458 -19.371 4.110 1.00 0.00 N ATOM 343 CA ARG A 696 19.756 -18.984 4.652 1.00 0.00 C ATOM 344 C ARG A 696 19.706 -18.926 6.175 1.00 0.00 C ATOM 345 O ARG A 696 20.582 -19.461 6.853 1.00 0.00 O ATOM 346 CB ARG A 696 20.162 -17.617 4.101 1.00 0.00 C ATOM 347 CG ARG A 696 21.535 -17.230 4.654 1.00 0.00 C ATOM 348 CD ARG A 696 22.011 -15.941 3.982 1.00 0.00 C ATOM 349 NE ARG A 696 22.271 -16.175 2.566 1.00 0.00 N ATOM 350 CZ ARG A 696 22.622 -15.185 1.742 1.00 0.00 C ATOM 351 NH1 ARG A 696 22.746 -13.958 2.183 1.00 0.00 N ATOM 352 NH2 ARG A 696 22.845 -15.442 0.483 1.00 0.00 N ATOM 0 H ARG A 696 18.031 -18.680 3.493 1.00 0.00 H new ATOM 0 HA ARG A 696 20.492 -19.731 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 696 20.192 -17.647 3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 696 19.422 -16.867 4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 696 21.478 -17.090 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 696 22.251 -18.032 4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 696 21.256 -15.163 4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 696 22.917 -15.581 4.470 1.00 0.00 H new ATOM 0 HE ARG A 696 22.182 -17.121 2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 696 22.574 -13.750 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 696 23.015 -13.211 1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 696 22.751 -16.395 0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 696 23.113 -14.690 -0.151 1.00 0.00 H new ATOM 366 N ILE A 697 18.676 -18.276 6.707 1.00 0.00 N ATOM 367 CA ILE A 697 18.524 -18.158 8.153 1.00 0.00 C ATOM 368 C ILE A 697 18.466 -19.539 8.802 1.00 0.00 C ATOM 369 O ILE A 697 19.125 -19.789 9.811 1.00 0.00 O ATOM 370 CB ILE A 697 17.247 -17.384 8.483 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.413 -15.924 8.059 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.984 -17.450 9.988 1.00 0.00 C ATOM 373 CD1 ILE A 697 16.060 -15.214 8.127 1.00 0.00 C ATOM 0 H ILE A 697 17.939 -17.826 6.164 1.00 0.00 H new ATOM 0 HA ILE A 697 19.387 -17.620 8.546 1.00 0.00 H new ATOM 0 HB ILE A 697 16.406 -17.826 7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 697 18.130 -15.425 8.710 1.00 0.00 H new ATOM 0 HG13 ILE A 697 17.812 -15.872 7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 697 16.074 -16.898 10.223 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.866 -18.490 10.292 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.824 -17.009 10.524 1.00 0.00 H new ATOM 0 HD11 ILE A 697 16.179 -14.174 7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 697 15.356 -15.708 7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 697 15.679 -15.254 9.148 1.00 0.00 H new ATOM 385 N VAL A 698 17.672 -20.428 8.218 1.00 0.00 N ATOM 386 CA VAL A 698 17.534 -21.780 8.745 1.00 0.00 C ATOM 387 C VAL A 698 18.883 -22.488 8.756 1.00 0.00 C ATOM 388 O VAL A 698 19.234 -23.166 9.720 1.00 0.00 O ATOM 389 CB VAL A 698 16.545 -22.577 7.895 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.584 -24.050 8.309 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.132 -22.028 8.104 1.00 0.00 C ATOM 0 H VAL A 698 17.117 -20.239 7.384 1.00 0.00 H new ATOM 0 HA VAL A 698 17.160 -21.714 9.767 1.00 0.00 H new ATOM 0 HB VAL A 698 16.819 -22.487 6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 698 15.878 -24.617 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.589 -24.443 8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.312 -24.140 9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.427 -22.597 7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.859 -22.116 9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.102 -20.979 7.808 1.00 0.00 H new ATOM 401 N PHE A 699 19.636 -22.323 7.673 1.00 0.00 N ATOM 402 CA PHE A 699 20.947 -22.952 7.564 1.00 0.00 C ATOM 403 C PHE A 699 21.891 -22.403 8.627 1.00 0.00 C ATOM 404 O PHE A 699 22.628 -23.154 9.265 1.00 0.00 O ATOM 405 CB PHE A 699 21.529 -22.725 6.169 1.00 0.00 C ATOM 406 CG PHE A 699 21.130 -23.878 5.280 1.00 0.00 C ATOM 407 CD1 PHE A 699 22.110 -24.732 4.758 1.00 0.00 C ATOM 408 CD2 PHE A 699 19.779 -24.103 4.990 1.00 0.00 C ATOM 409 CE1 PHE A 699 21.739 -25.810 3.946 1.00 0.00 C ATOM 410 CE2 PHE A 699 19.409 -25.182 4.177 1.00 0.00 C ATOM 411 CZ PHE A 699 20.389 -26.034 3.655 1.00 0.00 C ATOM 0 H PHE A 699 19.364 -21.764 6.865 1.00 0.00 H new ATOM 0 HA PHE A 699 20.832 -24.024 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 699 21.162 -21.786 5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 699 22.615 -22.648 6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 699 23.152 -24.559 4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 699 19.023 -23.445 5.393 1.00 0.00 H new ATOM 0 HE1 PHE A 699 22.495 -26.469 3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 699 18.367 -25.357 3.953 1.00 0.00 H new ATOM 0 HZ PHE A 699 20.103 -26.865 3.027 1.00 0.00 H new ATOM 421 N ALA A 700 21.860 -21.087 8.816 1.00 0.00 N ATOM 422 CA ALA A 700 22.715 -20.447 9.806 1.00 0.00 C ATOM 423 C ALA A 700 22.387 -20.962 11.205 1.00 0.00 C ATOM 424 O ALA A 700 23.286 -21.231 12.004 1.00 0.00 O ATOM 425 CB ALA A 700 22.524 -18.929 9.761 1.00 0.00 C ATOM 0 H ALA A 700 21.256 -20.448 8.300 1.00 0.00 H new ATOM 0 HA ALA A 700 23.752 -20.688 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 700 23.167 -18.459 10.505 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.785 -18.559 8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.483 -18.687 9.976 1.00 0.00 H new ATOM 431 N VAL A 701 21.097 -21.093 11.494 1.00 0.00 N ATOM 432 CA VAL A 701 20.664 -21.575 12.799 1.00 0.00 C ATOM 433 C VAL A 701 21.200 -22.979 13.054 1.00 0.00 C ATOM 434 O VAL A 701 21.677 -23.284 14.148 1.00 0.00 O ATOM 435 CB VAL A 701 19.135 -21.586 12.872 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.691 -22.305 14.146 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.615 -20.147 12.894 1.00 0.00 C ATOM 0 H VAL A 701 20.339 -20.874 10.848 1.00 0.00 H new ATOM 0 HA VAL A 701 21.057 -20.904 13.563 1.00 0.00 H new ATOM 0 HB VAL A 701 18.734 -22.105 12.002 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.602 -22.313 14.199 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.061 -23.330 14.133 1.00 0.00 H new ATOM 0 HG13 VAL A 701 19.092 -21.785 15.016 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.526 -20.154 12.946 1.00 0.00 H new ATOM 0 HG22 VAL A 701 19.016 -19.628 13.765 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.931 -19.632 11.987 1.00 0.00 H new ATOM 447 N LEU A 702 21.116 -23.831 12.036 1.00 0.00 N ATOM 448 CA LEU A 702 21.597 -25.202 12.158 1.00 0.00 C ATOM 449 C LEU A 702 23.103 -25.225 12.399 1.00 0.00 C ATOM 450 O LEU A 702 23.596 -25.980 13.238 1.00 0.00 O ATOM 451 CB LEU A 702 21.264 -25.995 10.890 1.00 0.00 C ATOM 452 CG LEU A 702 19.954 -26.775 11.082 1.00 0.00 C ATOM 453 CD1 LEU A 702 20.193 -27.954 12.030 1.00 0.00 C ATOM 454 CD2 LEU A 702 18.873 -25.855 11.667 1.00 0.00 C ATOM 0 H LEU A 702 20.722 -23.598 11.124 1.00 0.00 H new ATOM 0 HA LEU A 702 21.099 -25.663 13.011 1.00 0.00 H new ATOM 0 HB2 LEU A 702 21.171 -25.317 10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 702 22.076 -26.684 10.659 1.00 0.00 H new ATOM 0 HG LEU A 702 19.617 -27.148 10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 702 19.263 -28.506 12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 702 20.949 -28.615 11.606 1.00 0.00 H new ATOM 0 HD13 LEU A 702 20.537 -27.581 12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 702 17.949 -26.418 11.799 1.00 0.00 H new ATOM 0 HD22 LEU A 702 19.205 -25.471 12.632 1.00 0.00 H new ATOM 0 HD23 LEU A 702 18.697 -25.022 10.986 1.00 0.00 H new ATOM 466 N SER A 703 23.830 -24.394 11.659 1.00 0.00 N ATOM 467 CA SER A 703 25.279 -24.328 11.802 1.00 0.00 C ATOM 468 C SER A 703 25.656 -23.910 13.221 1.00 0.00 C ATOM 469 O SER A 703 26.582 -24.464 13.818 1.00 0.00 O ATOM 470 CB SER A 703 25.884 -23.350 10.792 1.00 0.00 C ATOM 471 OG SER A 703 25.420 -22.036 11.060 1.00 0.00 O ATOM 0 H SER A 703 23.442 -23.761 10.959 1.00 0.00 H new ATOM 0 HA SER A 703 25.682 -25.322 11.606 1.00 0.00 H new ATOM 0 HB2 SER A 703 26.972 -23.380 10.849 1.00 0.00 H new ATOM 0 HB3 SER A 703 25.610 -23.643 9.779 1.00 0.00 H new ATOM 0 HG SER A 703 24.511 -22.078 11.423 1.00 0.00 H new ATOM 477 N LEU A 704 24.934 -22.931 13.753 1.00 0.00 N ATOM 478 CA LEU A 704 25.200 -22.443 15.103 1.00 0.00 C ATOM 479 C LEU A 704 24.941 -23.539 16.133 1.00 0.00 C ATOM 480 O LEU A 704 25.710 -23.709 17.079 1.00 0.00 O ATOM 481 CB LEU A 704 24.308 -21.234 15.401 1.00 0.00 C ATOM 482 CG LEU A 704 24.575 -20.720 16.821 1.00 0.00 C ATOM 483 CD1 LEU A 704 26.028 -20.259 16.944 1.00 0.00 C ATOM 484 CD2 LEU A 704 23.644 -19.540 17.114 1.00 0.00 C ATOM 0 H LEU A 704 24.165 -22.461 13.275 1.00 0.00 H new ATOM 0 HA LEU A 704 26.247 -22.148 15.165 1.00 0.00 H new ATOM 0 HB2 LEU A 704 24.501 -20.442 14.677 1.00 0.00 H new ATOM 0 HB3 LEU A 704 23.259 -21.512 15.298 1.00 0.00 H new ATOM 0 HG LEU A 704 24.392 -21.524 17.534 1.00 0.00 H new ATOM 0 HD11 LEU A 704 26.210 -19.895 17.955 1.00 0.00 H new ATOM 0 HD12 LEU A 704 26.694 -21.096 16.734 1.00 0.00 H new ATOM 0 HD13 LEU A 704 26.217 -19.457 16.231 1.00 0.00 H new ATOM 0 HD21 LEU A 704 23.830 -19.171 18.123 1.00 0.00 H new ATOM 0 HD22 LEU A 704 23.831 -18.742 16.396 1.00 0.00 H new ATOM 0 HD23 LEU A 704 22.607 -19.866 17.033 1.00 0.00 H new ATOM 496 N VAL A 705 23.857 -24.283 15.942 1.00 0.00 N ATOM 497 CA VAL A 705 23.510 -25.359 16.864 1.00 0.00 C ATOM 498 C VAL A 705 24.571 -26.454 16.833 1.00 0.00 C ATOM 499 O VAL A 705 24.968 -26.974 17.876 1.00 0.00 O ATOM 500 CB VAL A 705 22.151 -25.953 16.488 1.00 0.00 C ATOM 501 CG1 VAL A 705 21.899 -27.216 17.313 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.051 -24.930 16.775 1.00 0.00 C ATOM 0 H VAL A 705 23.208 -24.163 15.164 1.00 0.00 H new ATOM 0 HA VAL A 705 23.459 -24.946 17.871 1.00 0.00 H new ATOM 0 HB VAL A 705 22.146 -26.205 15.428 1.00 0.00 H new ATOM 0 HG11 VAL A 705 20.931 -27.639 17.045 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.683 -27.946 17.109 1.00 0.00 H new ATOM 0 HG13 VAL A 705 21.904 -26.965 18.374 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.082 -25.352 16.507 1.00 0.00 H new ATOM 0 HG22 VAL A 705 21.056 -24.678 17.835 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.229 -24.030 16.187 1.00 0.00 H new ATOM 512 N ASN A 706 25.026 -26.797 15.633 1.00 0.00 N ATOM 513 CA ASN A 706 26.041 -27.832 15.480 1.00 0.00 C ATOM 514 C ASN A 706 27.313 -27.448 16.234 1.00 0.00 C ATOM 515 O ASN A 706 27.936 -28.284 16.885 1.00 0.00 O ATOM 516 CB ASN A 706 26.365 -28.033 13.999 1.00 0.00 C ATOM 517 CG ASN A 706 25.196 -28.717 13.300 1.00 0.00 C ATOM 518 OD1 ASN A 706 24.366 -29.351 13.951 1.00 0.00 O ATOM 519 ND2 ASN A 706 25.081 -28.626 12.003 1.00 0.00 N ATOM 0 H ASN A 706 24.711 -26.377 14.758 1.00 0.00 H new ATOM 0 HA ASN A 706 25.651 -28.762 15.894 1.00 0.00 H new ATOM 0 HB2 ASN A 706 26.569 -27.071 13.529 1.00 0.00 H new ATOM 0 HB3 ASN A 706 27.266 -28.637 13.894 1.00 0.00 H new ATOM 0 HD21 ASN A 706 24.302 -29.081 11.527 1.00 0.00 H new ATOM 0 HD22 ASN A 706 25.770 -28.100 11.466 1.00 0.00 H new ATOM 526 N ARG A 707 27.688 -26.176 16.139 1.00 0.00 N ATOM 527 CA ARG A 707 28.884 -25.691 16.815 1.00 0.00 C ATOM 528 C ARG A 707 28.727 -25.798 18.329 1.00 0.00 C ATOM 529 O ARG A 707 29.637 -26.251 19.024 1.00 0.00 O ATOM 530 CB ARG A 707 29.151 -24.234 16.419 1.00 0.00 C ATOM 531 CG ARG A 707 30.370 -23.686 17.176 1.00 0.00 C ATOM 532 CD ARG A 707 31.622 -24.490 16.811 1.00 0.00 C ATOM 533 NE ARG A 707 31.838 -24.462 15.367 1.00 0.00 N ATOM 534 CZ ARG A 707 32.430 -23.428 14.762 1.00 0.00 C ATOM 535 NH1 ARG A 707 32.838 -22.391 15.449 1.00 0.00 N ATOM 536 NH2 ARG A 707 32.603 -23.453 13.469 1.00 0.00 N ATOM 0 H ARG A 707 27.185 -25.468 15.604 1.00 0.00 H new ATOM 0 HA ARG A 707 29.729 -26.308 16.511 1.00 0.00 H new ATOM 0 HB2 ARG A 707 29.323 -24.169 15.345 1.00 0.00 H new ATOM 0 HB3 ARG A 707 28.275 -23.625 16.639 1.00 0.00 H new ATOM 0 HG2 ARG A 707 30.519 -22.635 16.929 1.00 0.00 H new ATOM 0 HG3 ARG A 707 30.195 -23.739 18.250 1.00 0.00 H new ATOM 0 HD2 ARG A 707 32.490 -24.077 17.324 1.00 0.00 H new ATOM 0 HD3 ARG A 707 31.513 -25.520 17.149 1.00 0.00 H new ATOM 0 HE ARG A 707 31.528 -25.254 14.804 1.00 0.00 H new ATOM 0 HH11 ARG A 707 32.706 -22.365 16.460 1.00 0.00 H new ATOM 0 HH12 ARG A 707 33.288 -21.609 14.973 1.00 0.00 H new ATOM 0 HH21 ARG A 707 32.287 -24.258 12.928 1.00 0.00 H new ATOM 0 HH22 ARG A 707 33.054 -22.668 13.000 1.00 0.00 H new ATOM 550 N VAL A 708 27.572 -25.378 18.829 1.00 0.00 N ATOM 551 CA VAL A 708 27.309 -25.431 20.263 1.00 0.00 C ATOM 552 C VAL A 708 27.350 -26.874 20.763 1.00 0.00 C ATOM 553 O VAL A 708 27.894 -27.153 21.832 1.00 0.00 O ATOM 554 CB VAL A 708 25.940 -24.821 20.568 1.00 0.00 C ATOM 555 CG1 VAL A 708 25.577 -25.083 22.030 1.00 0.00 C ATOM 556 CG2 VAL A 708 25.991 -23.311 20.320 1.00 0.00 C ATOM 0 H VAL A 708 26.808 -25.000 18.269 1.00 0.00 H new ATOM 0 HA VAL A 708 28.082 -24.859 20.776 1.00 0.00 H new ATOM 0 HB VAL A 708 25.188 -25.274 19.921 1.00 0.00 H new ATOM 0 HG11 VAL A 708 24.601 -24.648 22.246 1.00 0.00 H new ATOM 0 HG12 VAL A 708 25.543 -26.158 22.209 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.328 -24.631 22.678 1.00 0.00 H new ATOM 0 HG21 VAL A 708 25.016 -22.874 20.537 1.00 0.00 H new ATOM 0 HG22 VAL A 708 26.743 -22.861 20.968 1.00 0.00 H new ATOM 0 HG23 VAL A 708 26.250 -23.122 19.278 1.00 0.00 H new ATOM 566 N ARG A 709 26.775 -27.782 19.982 1.00 0.00 N ATOM 567 CA ARG A 709 26.754 -29.191 20.356 1.00 0.00 C ATOM 568 C ARG A 709 28.168 -29.762 20.370 1.00 0.00 C ATOM 569 O ARG A 709 28.479 -30.654 21.162 1.00 0.00 O ATOM 570 CB ARG A 709 25.894 -29.982 19.367 1.00 0.00 C ATOM 571 CG ARG A 709 25.747 -31.424 19.856 1.00 0.00 C ATOM 572 CD ARG A 709 24.932 -32.229 18.841 1.00 0.00 C ATOM 573 NE ARG A 709 23.589 -31.672 18.715 1.00 0.00 N ATOM 574 CZ ARG A 709 22.615 -31.974 19.578 1.00 0.00 C ATOM 575 NH1 ARG A 709 22.835 -32.783 20.584 1.00 0.00 N ATOM 576 NH2 ARG A 709 21.428 -31.456 19.415 1.00 0.00 N ATOM 0 H ARG A 709 26.321 -27.570 19.094 1.00 0.00 H new ATOM 0 HA ARG A 709 26.329 -29.275 21.356 1.00 0.00 H new ATOM 0 HB2 ARG A 709 24.912 -29.518 19.271 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.352 -29.967 18.378 1.00 0.00 H new ATOM 0 HG2 ARG A 709 26.730 -31.876 19.989 1.00 0.00 H new ATOM 0 HG3 ARG A 709 25.255 -31.441 20.828 1.00 0.00 H new ATOM 0 HD2 ARG A 709 25.431 -32.217 17.872 1.00 0.00 H new ATOM 0 HD3 ARG A 709 24.873 -33.271 19.156 1.00 0.00 H new ATOM 0 HE ARG A 709 23.388 -31.033 17.945 1.00 0.00 H new ATOM 0 HH11 ARG A 709 23.760 -33.192 20.717 1.00 0.00 H new ATOM 0 HH12 ARG A 709 22.081 -33.004 21.235 1.00 0.00 H new ATOM 0 HH21 ARG A 709 21.250 -30.826 18.633 1.00 0.00 H new ATOM 0 HH22 ARG A 709 20.679 -31.682 20.069 1.00 0.00 H new ATOM 590 N GLN A 710 29.018 -29.244 19.490 1.00 0.00 N ATOM 591 CA GLN A 710 30.396 -29.715 19.411 1.00 0.00 C ATOM 592 C GLN A 710 30.435 -31.228 19.222 1.00 0.00 C ATOM 593 O GLN A 710 30.963 -31.955 20.064 1.00 0.00 O ATOM 594 CB GLN A 710 31.151 -29.335 20.688 1.00 0.00 C ATOM 595 CG GLN A 710 32.649 -29.580 20.491 1.00 0.00 C ATOM 596 CD GLN A 710 33.421 -29.096 21.714 1.00 0.00 C ATOM 597 OE1 GLN A 710 32.830 -28.556 22.649 1.00 0.00 O ATOM 598 NE2 GLN A 710 34.715 -29.259 21.764 1.00 0.00 N ATOM 0 H GLN A 710 28.781 -28.505 18.828 1.00 0.00 H new ATOM 0 HA GLN A 710 30.875 -29.243 18.553 1.00 0.00 H new ATOM 0 HB2 GLN A 710 30.972 -28.287 20.930 1.00 0.00 H new ATOM 0 HB3 GLN A 710 30.783 -29.924 21.529 1.00 0.00 H new ATOM 0 HG2 GLN A 710 32.834 -30.642 20.330 1.00 0.00 H new ATOM 0 HG3 GLN A 710 32.997 -29.057 19.600 1.00 0.00 H new ATOM 0 HE21 GLN A 710 35.203 -29.707 20.988 1.00 0.00 H new ATOM 0 HE22 GLN A 710 35.238 -28.939 22.579 1.00 0.00 H new ATOM 607 N GLY A 711 29.867 -31.674 18.105 1.00 0.00 N ATOM 608 CA GLY A 711 29.816 -33.092 17.768 1.00 0.00 C ATOM 609 C GLY A 711 29.679 -33.255 16.259 1.00 0.00 C ATOM 610 O GLY A 711 29.589 -32.266 15.533 1.00 0.00 O ATOM 0 H GLY A 711 29.431 -31.066 17.412 1.00 0.00 H new ATOM 0 HA2 GLY A 711 30.720 -33.592 18.117 1.00 0.00 H new ATOM 0 HA3 GLY A 711 28.974 -33.566 18.273 1.00 0.00 H new ATOM 614 N TYR A 712 29.675 -34.495 15.780 1.00 0.00 N ATOM 615 CA TYR A 712 29.562 -34.729 14.344 1.00 0.00 C ATOM 616 C TYR A 712 30.657 -33.947 13.625 1.00 0.00 C ATOM 617 O TYR A 712 30.430 -33.347 12.574 1.00 0.00 O ATOM 618 CB TYR A 712 28.187 -34.276 13.840 1.00 0.00 C ATOM 619 CG TYR A 712 27.101 -35.024 14.578 1.00 0.00 C ATOM 620 CD1 TYR A 712 26.505 -34.453 15.710 1.00 0.00 C ATOM 621 CD2 TYR A 712 26.689 -36.287 14.134 1.00 0.00 C ATOM 622 CE1 TYR A 712 25.497 -35.143 16.397 1.00 0.00 C ATOM 623 CE2 TYR A 712 25.681 -36.977 14.822 1.00 0.00 C ATOM 624 CZ TYR A 712 25.086 -36.405 15.955 1.00 0.00 C ATOM 625 OH TYR A 712 24.091 -37.084 16.633 1.00 0.00 O ATOM 0 H TYR A 712 29.747 -35.337 16.351 1.00 0.00 H new ATOM 0 HA TYR A 712 29.674 -35.794 14.142 1.00 0.00 H new ATOM 0 HB2 TYR A 712 28.069 -33.203 13.991 1.00 0.00 H new ATOM 0 HB3 TYR A 712 28.104 -34.458 12.769 1.00 0.00 H new ATOM 0 HD1 TYR A 712 26.823 -33.480 16.054 1.00 0.00 H new ATOM 0 HD2 TYR A 712 27.148 -36.729 13.262 1.00 0.00 H new ATOM 0 HE1 TYR A 712 25.037 -34.700 17.268 1.00 0.00 H new ATOM 0 HE2 TYR A 712 25.363 -37.950 14.479 1.00 0.00 H new ATOM 0 HH TYR A 712 23.925 -37.945 16.194 1.00 0.00 H new ATOM 635 N SER A 713 31.840 -33.938 14.229 1.00 0.00 N ATOM 636 CA SER A 713 32.982 -33.210 13.682 1.00 0.00 C ATOM 637 C SER A 713 33.396 -33.663 12.266 1.00 0.00 C ATOM 638 O SER A 713 33.675 -32.815 11.420 1.00 0.00 O ATOM 639 CB SER A 713 34.178 -33.332 14.633 1.00 0.00 C ATOM 640 OG SER A 713 33.917 -32.576 15.808 1.00 0.00 O ATOM 0 H SER A 713 32.035 -34.429 15.102 1.00 0.00 H new ATOM 0 HA SER A 713 32.664 -32.171 13.590 1.00 0.00 H new ATOM 0 HB2 SER A 713 34.350 -34.378 14.889 1.00 0.00 H new ATOM 0 HB3 SER A 713 35.084 -32.970 14.146 1.00 0.00 H new ATOM 0 HG SER A 713 34.678 -32.651 16.421 1.00 0.00 H new ATOM 646 N PRO A 714 33.479 -34.950 11.977 1.00 0.00 N ATOM 647 CA PRO A 714 33.912 -35.433 10.620 1.00 0.00 C ATOM 648 C PRO A 714 33.072 -34.875 9.470 1.00 0.00 C ATOM 649 O PRO A 714 31.845 -34.805 9.558 1.00 0.00 O ATOM 650 CB PRO A 714 33.759 -36.955 10.714 1.00 0.00 C ATOM 651 CG PRO A 714 33.862 -37.256 12.167 1.00 0.00 C ATOM 652 CD PRO A 714 33.183 -36.088 12.869 1.00 0.00 C ATOM 0 HA PRO A 714 34.925 -35.101 10.391 1.00 0.00 H new ATOM 0 HB2 PRO A 714 32.802 -37.282 10.309 1.00 0.00 H new ATOM 0 HB3 PRO A 714 34.537 -37.467 10.147 1.00 0.00 H new ATOM 0 HG2 PRO A 714 33.372 -38.199 12.409 1.00 0.00 H new ATOM 0 HG3 PRO A 714 34.903 -37.349 12.476 1.00 0.00 H new ATOM 0 HD2 PRO A 714 32.110 -36.249 12.976 1.00 0.00 H new ATOM 0 HD3 PRO A 714 33.583 -35.931 13.871 1.00 0.00 H new ATOM 660 N LEU A 715 33.764 -34.497 8.390 1.00 0.00 N ATOM 661 CA LEU A 715 33.123 -33.949 7.192 1.00 0.00 C ATOM 662 C LEU A 715 31.989 -32.993 7.558 1.00 0.00 C ATOM 663 O LEU A 715 30.840 -33.183 7.154 1.00 0.00 O ATOM 664 CB LEU A 715 32.599 -35.085 6.305 1.00 0.00 C ATOM 665 CG LEU A 715 33.676 -35.453 5.280 1.00 0.00 C ATOM 666 CD1 LEU A 715 34.861 -36.104 5.999 1.00 0.00 C ATOM 667 CD2 LEU A 715 33.098 -36.433 4.256 1.00 0.00 C ATOM 0 H LEU A 715 34.780 -34.562 8.322 1.00 0.00 H new ATOM 0 HA LEU A 715 33.871 -33.383 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 715 32.347 -35.953 6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 715 31.686 -34.776 5.797 1.00 0.00 H new ATOM 0 HG LEU A 715 34.011 -34.552 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 715 35.629 -36.367 5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 715 35.274 -35.405 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 715 34.525 -37.005 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 715 33.866 -36.693 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 715 32.761 -37.335 4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 715 32.255 -35.969 3.744 1.00 0.00 H new ATOM 679 N SER A 716 32.319 -31.963 8.328 1.00 0.00 N ATOM 680 CA SER A 716 31.319 -30.986 8.740 1.00 0.00 C ATOM 681 C SER A 716 31.502 -29.675 7.981 1.00 0.00 C ATOM 682 O SER A 716 32.182 -28.804 8.497 1.00 0.00 O ATOM 683 CB SER A 716 31.430 -30.727 10.241 1.00 0.00 C ATOM 684 OG SER A 716 32.772 -30.378 10.560 1.00 0.00 O ATOM 685 OXT SER A 716 30.957 -29.562 6.896 1.00 0.00 O ATOM 0 H SER A 716 33.261 -31.784 8.677 1.00 0.00 H new ATOM 0 HA SER A 716 30.332 -31.389 8.512 1.00 0.00 H new ATOM 0 HB2 SER A 716 30.754 -29.924 10.534 1.00 0.00 H new ATOM 0 HB3 SER A 716 31.131 -31.615 10.798 1.00 0.00 H new ATOM 0 HG SER A 716 33.267 -31.183 10.819 1.00 0.00 H new TER 691 SER A 716