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 Set 1.1: A 710 GLN :FLIP amide:sc= 0.15 F(o=-1.9,f=1.3) USER MOD Set 1.2: A 713 SER OG : rot -13:sc= 1.14 USER MOD Single : A 677 ASN : amide:sc= -0.863 K(o=-0.86,f=-1.7!) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 691 SER OG : rot -36:sc= 0.911 USER MOD Single : A 703 SER OG : rot 77:sc= 0.162 USER MOD Single : A 706 ASN : amide:sc=-0.00581 K(o=-0.0058,f=-1.2!) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 52:sc= 0.427 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 677 0.117 -7.391 -15.560 1.00 0.00 N ATOM 2 CA ASN A 677 0.597 -8.422 -14.597 1.00 0.00 C ATOM 3 C ASN A 677 1.880 -7.937 -13.929 1.00 0.00 C ATOM 4 O ASN A 677 2.727 -8.739 -13.536 1.00 0.00 O ATOM 5 CB ASN A 677 0.858 -9.733 -15.343 1.00 0.00 C ATOM 6 CG ASN A 677 2.089 -9.597 -16.233 1.00 0.00 C ATOM 7 OD1 ASN A 677 2.522 -8.485 -16.532 1.00 0.00 O ATOM 8 ND2 ASN A 677 2.683 -10.671 -16.677 1.00 0.00 N ATOM 0 HA ASN A 677 -0.161 -8.591 -13.832 1.00 0.00 H new ATOM 0 HB2 ASN A 677 1.004 -10.543 -14.629 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -0.010 -9.995 -15.948 1.00 0.00 H new ATOM 0 HD21 ASN A 677 3.507 -10.589 -17.272 1.00 0.00 H new ATOM 0 HD22 ASN A 677 2.323 -11.593 -16.428 1.00 0.00 H new ATOM 17 N TRP A 678 2.010 -6.622 -13.791 1.00 0.00 N ATOM 18 CA TRP A 678 3.186 -6.042 -13.151 1.00 0.00 C ATOM 19 C TRP A 678 3.222 -6.401 -11.670 1.00 0.00 C ATOM 20 O TRP A 678 4.269 -6.762 -11.133 1.00 0.00 O ATOM 21 CB TRP A 678 3.165 -4.520 -13.306 1.00 0.00 C ATOM 22 CG TRP A 678 3.240 -4.156 -14.756 1.00 0.00 C ATOM 23 CD1 TRP A 678 3.589 -5.000 -15.755 1.00 0.00 C ATOM 24 CD2 TRP A 678 2.965 -2.872 -15.386 1.00 0.00 C ATOM 25 NE1 TRP A 678 3.548 -4.316 -16.955 1.00 0.00 N ATOM 26 CE2 TRP A 678 3.168 -3.000 -16.780 1.00 0.00 C ATOM 27 CE3 TRP A 678 2.564 -1.619 -14.886 1.00 0.00 C ATOM 28 CZ2 TRP A 678 2.981 -1.925 -17.648 1.00 0.00 C ATOM 29 CZ3 TRP A 678 2.374 -0.534 -15.758 1.00 0.00 C ATOM 30 CH2 TRP A 678 2.581 -0.688 -17.136 1.00 0.00 C ATOM 0 H TRP A 678 1.321 -5.941 -14.111 1.00 0.00 H new ATOM 0 HA TRP A 678 4.076 -6.446 -13.633 1.00 0.00 H new ATOM 0 HB2 TRP A 678 2.254 -4.113 -12.866 1.00 0.00 H new ATOM 0 HB3 TRP A 678 4.004 -4.079 -12.767 1.00 0.00 H new ATOM 0 HD1 TRP A 678 3.856 -6.039 -15.634 1.00 0.00 H new ATOM 0 HE1 TRP A 678 3.771 -4.732 -17.859 1.00 0.00 H new ATOM 0 HE3 TRP A 678 2.401 -1.491 -13.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 3.144 -2.048 -18.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 2.067 0.424 -15.365 1.00 0.00 H new ATOM 0 HH2 TRP A 678 2.431 0.149 -17.802 1.00 0.00 H new ATOM 41 N LEU A 679 2.071 -6.300 -11.013 1.00 0.00 N ATOM 42 CA LEU A 679 1.983 -6.616 -9.592 1.00 0.00 C ATOM 43 C LEU A 679 2.117 -8.118 -9.368 1.00 0.00 C ATOM 44 O LEU A 679 2.797 -8.556 -8.440 1.00 0.00 O ATOM 45 CB LEU A 679 0.642 -6.136 -9.033 1.00 0.00 C ATOM 46 CG LEU A 679 0.601 -4.605 -9.019 1.00 0.00 C ATOM 47 CD1 LEU A 679 -0.820 -4.141 -8.689 1.00 0.00 C ATOM 48 CD2 LEU A 679 1.568 -4.071 -7.957 1.00 0.00 C ATOM 0 H LEU A 679 1.192 -6.004 -11.438 1.00 0.00 H new ATOM 0 HA LEU A 679 2.797 -6.108 -9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.175 -6.525 -9.641 1.00 0.00 H new ATOM 0 HB3 LEU A 679 0.500 -6.522 -8.023 1.00 0.00 H new ATOM 0 HG LEU A 679 0.895 -4.226 -9.998 1.00 0.00 H new ATOM 0 HD11 LEU A 679 -0.854 -3.052 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 679 -1.510 -4.518 -9.444 1.00 0.00 H new ATOM 0 HD13 LEU A 679 -1.109 -4.523 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 679 1.536 -2.981 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 679 1.277 -4.449 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 679 2.581 -4.403 -8.187 1.00 0.00 H new ATOM 60 N TRP A 680 1.466 -8.900 -10.220 1.00 0.00 N ATOM 61 CA TRP A 680 1.520 -10.353 -10.105 1.00 0.00 C ATOM 62 C TRP A 680 2.965 -10.839 -10.140 1.00 0.00 C ATOM 63 O TRP A 680 3.383 -11.642 -9.305 1.00 0.00 O ATOM 64 CB TRP A 680 0.736 -10.999 -11.248 1.00 0.00 C ATOM 65 CG TRP A 680 0.836 -12.487 -11.143 1.00 0.00 C ATOM 66 CD1 TRP A 680 1.595 -13.272 -11.941 1.00 0.00 C ATOM 67 CD2 TRP A 680 0.172 -13.379 -10.203 1.00 0.00 C ATOM 68 NE1 TRP A 680 1.437 -14.590 -11.550 1.00 0.00 N ATOM 69 CE2 TRP A 680 0.571 -14.708 -10.482 1.00 0.00 C ATOM 70 CE3 TRP A 680 -0.729 -13.167 -9.142 1.00 0.00 C ATOM 71 CZ2 TRP A 680 0.094 -15.787 -9.739 1.00 0.00 C ATOM 72 CZ3 TRP A 680 -1.212 -14.251 -8.392 1.00 0.00 C ATOM 73 CH2 TRP A 680 -0.801 -15.559 -8.689 1.00 0.00 C ATOM 0 H TRP A 680 0.898 -8.556 -10.994 1.00 0.00 H new ATOM 0 HA TRP A 680 1.074 -10.639 -9.153 1.00 0.00 H new ATOM 0 HB2 TRP A 680 -0.309 -10.690 -11.207 1.00 0.00 H new ATOM 0 HB3 TRP A 680 1.130 -10.664 -12.208 1.00 0.00 H new ATOM 0 HD1 TRP A 680 2.221 -12.927 -12.750 1.00 0.00 H new ATOM 0 HE1 TRP A 680 1.904 -15.379 -11.997 1.00 0.00 H new ATOM 0 HE3 TRP A 680 -1.051 -12.164 -8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 0.413 -16.792 -9.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 -1.904 -14.077 -7.581 1.00 0.00 H new ATOM 0 HH2 TRP A 680 -1.175 -16.389 -8.108 1.00 0.00 H new ATOM 84 N TYR A 681 3.727 -10.348 -11.112 1.00 0.00 N ATOM 85 CA TYR A 681 5.124 -10.739 -11.248 1.00 0.00 C ATOM 86 C TYR A 681 5.954 -10.188 -10.093 1.00 0.00 C ATOM 87 O TYR A 681 6.895 -10.832 -9.628 1.00 0.00 O ATOM 88 CB TYR A 681 5.687 -10.220 -12.573 1.00 0.00 C ATOM 89 CG TYR A 681 7.079 -10.767 -12.778 1.00 0.00 C ATOM 90 CD1 TYR A 681 7.256 -12.063 -13.275 1.00 0.00 C ATOM 91 CD2 TYR A 681 8.194 -9.978 -12.468 1.00 0.00 C ATOM 92 CE1 TYR A 681 8.547 -12.570 -13.465 1.00 0.00 C ATOM 93 CE2 TYR A 681 9.485 -10.484 -12.658 1.00 0.00 C ATOM 94 CZ TYR A 681 9.662 -11.781 -13.155 1.00 0.00 C ATOM 95 OH TYR A 681 10.934 -12.281 -13.341 1.00 0.00 O ATOM 0 H TYR A 681 3.402 -9.682 -11.813 1.00 0.00 H new ATOM 0 HA TYR A 681 5.177 -11.828 -11.231 1.00 0.00 H new ATOM 0 HB2 TYR A 681 5.041 -10.522 -13.398 1.00 0.00 H new ATOM 0 HB3 TYR A 681 5.710 -9.130 -12.568 1.00 0.00 H new ATOM 0 HD1 TYR A 681 6.396 -12.672 -13.512 1.00 0.00 H new ATOM 0 HD2 TYR A 681 8.057 -8.979 -12.082 1.00 0.00 H new ATOM 0 HE1 TYR A 681 8.683 -13.570 -13.851 1.00 0.00 H new ATOM 0 HE2 TYR A 681 10.344 -9.874 -12.421 1.00 0.00 H new ATOM 0 HH TYR A 681 11.593 -11.605 -13.078 1.00 0.00 H new ATOM 105 N ILE A 682 5.598 -8.993 -9.631 1.00 0.00 N ATOM 106 CA ILE A 682 6.315 -8.368 -8.527 1.00 0.00 C ATOM 107 C ILE A 682 6.146 -9.187 -7.251 1.00 0.00 C ATOM 108 O ILE A 682 7.092 -9.360 -6.483 1.00 0.00 O ATOM 109 CB ILE A 682 5.820 -6.937 -8.303 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.386 -6.025 -9.402 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.275 -6.442 -6.925 1.00 0.00 C ATOM 112 CD1 ILE A 682 7.834 -5.644 -9.077 1.00 0.00 C ATOM 0 H ILE A 682 4.823 -8.442 -10.001 1.00 0.00 H new ATOM 0 HA ILE A 682 7.374 -8.333 -8.784 1.00 0.00 H new ATOM 0 HB ILE A 682 4.731 -6.917 -8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 682 6.343 -6.534 -10.365 1.00 0.00 H new ATOM 0 HG13 ILE A 682 5.776 -5.126 -9.489 1.00 0.00 H new ATOM 0 HG21 ILE A 682 5.921 -5.423 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 682 5.865 -7.091 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.364 -6.460 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 682 8.225 -4.998 -9.863 1.00 0.00 H new ATOM 0 HD12 ILE A 682 7.866 -5.117 -8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 682 8.442 -6.546 -9.013 1.00 0.00 H new ATOM 124 N ARG A 683 4.936 -9.690 -7.031 1.00 0.00 N ATOM 125 CA ARG A 683 4.653 -10.492 -5.846 1.00 0.00 C ATOM 126 C ARG A 683 5.480 -11.775 -5.862 1.00 0.00 C ATOM 127 O ARG A 683 6.071 -12.158 -4.852 1.00 0.00 O ATOM 128 CB ARG A 683 3.165 -10.838 -5.781 1.00 0.00 C ATOM 129 CG ARG A 683 2.360 -9.580 -5.450 1.00 0.00 C ATOM 130 CD ARG A 683 0.866 -9.904 -5.492 1.00 0.00 C ATOM 131 NE ARG A 683 0.541 -10.918 -4.491 1.00 0.00 N ATOM 132 CZ ARG A 683 0.357 -10.604 -3.207 1.00 0.00 C ATOM 133 NH1 ARG A 683 0.472 -9.368 -2.792 1.00 0.00 N ATOM 134 NH2 ARG A 683 0.059 -11.544 -2.352 1.00 0.00 N ATOM 0 H ARG A 683 4.139 -9.558 -7.654 1.00 0.00 H new ATOM 0 HA ARG A 683 4.921 -9.909 -4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.836 -11.253 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 683 2.992 -11.603 -5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 683 2.635 -9.209 -4.463 1.00 0.00 H new ATOM 0 HG3 ARG A 683 2.592 -8.789 -6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 683 0.285 -9.000 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 683 0.592 -10.261 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 683 0.452 -11.892 -4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 683 0.706 -8.628 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 683 0.328 -9.145 -1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 683 -0.032 -12.510 -2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -0.083 -11.313 -1.369 1.00 0.00 H new ATOM 148 N ILE A 684 5.509 -12.440 -7.013 1.00 0.00 N ATOM 149 CA ILE A 684 6.263 -13.681 -7.147 1.00 0.00 C ATOM 150 C ILE A 684 7.731 -13.454 -6.805 1.00 0.00 C ATOM 151 O ILE A 684 8.330 -14.222 -6.052 1.00 0.00 O ATOM 152 CB ILE A 684 6.149 -14.208 -8.583 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.713 -14.686 -8.868 1.00 0.00 C ATOM 154 CG2 ILE A 684 7.124 -15.371 -8.775 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.414 -16.000 -8.131 1.00 0.00 C ATOM 0 H ILE A 684 5.023 -12.143 -7.860 1.00 0.00 H new ATOM 0 HA ILE A 684 5.848 -14.414 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 684 6.393 -13.403 -9.276 1.00 0.00 H new ATOM 0 HG12 ILE A 684 4.002 -13.920 -8.557 1.00 0.00 H new ATOM 0 HG13 ILE A 684 4.579 -14.828 -9.940 1.00 0.00 H new ATOM 0 HG21 ILE A 684 7.045 -15.747 -9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.142 -15.026 -8.593 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.881 -16.169 -8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.394 -16.316 -8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 684 5.111 -16.770 -8.463 1.00 0.00 H new ATOM 0 HD13 ILE A 684 4.525 -15.848 -7.057 1.00 0.00 H new ATOM 167 N PHE A 685 8.309 -12.395 -7.367 1.00 0.00 N ATOM 168 CA PHE A 685 9.710 -12.081 -7.115 1.00 0.00 C ATOM 169 C PHE A 685 9.942 -11.826 -5.630 1.00 0.00 C ATOM 170 O PHE A 685 10.944 -12.261 -5.064 1.00 0.00 O ATOM 171 CB PHE A 685 10.120 -10.844 -7.916 1.00 0.00 C ATOM 172 CG PHE A 685 11.574 -10.535 -7.654 1.00 0.00 C ATOM 173 CD1 PHE A 685 12.574 -11.267 -8.303 1.00 0.00 C ATOM 174 CD2 PHE A 685 11.922 -9.514 -6.760 1.00 0.00 C ATOM 175 CE1 PHE A 685 13.922 -10.980 -8.060 1.00 0.00 C ATOM 176 CE2 PHE A 685 13.271 -9.227 -6.516 1.00 0.00 C ATOM 177 CZ PHE A 685 14.270 -9.960 -7.166 1.00 0.00 C ATOM 0 H PHE A 685 7.833 -11.746 -7.994 1.00 0.00 H new ATOM 0 HA PHE A 685 10.316 -12.932 -7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.960 -11.017 -8.980 1.00 0.00 H new ATOM 0 HB3 PHE A 685 9.500 -9.993 -7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 685 12.306 -12.054 -8.992 1.00 0.00 H new ATOM 0 HD2 PHE A 685 11.150 -8.948 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 685 14.694 -11.545 -8.562 1.00 0.00 H new ATOM 0 HE2 PHE A 685 13.540 -8.440 -5.827 1.00 0.00 H new ATOM 0 HZ PHE A 685 15.310 -9.739 -6.978 1.00 0.00 H new ATOM 187 N ILE A 686 9.006 -11.121 -5.003 1.00 0.00 N ATOM 188 CA ILE A 686 9.118 -10.818 -3.580 1.00 0.00 C ATOM 189 C ILE A 686 9.134 -12.104 -2.760 1.00 0.00 C ATOM 190 O ILE A 686 9.964 -12.272 -1.867 1.00 0.00 O ATOM 191 CB ILE A 686 7.959 -9.929 -3.130 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.129 -8.529 -3.725 1.00 0.00 C ATOM 193 CG2 ILE A 686 7.950 -9.836 -1.603 1.00 0.00 C ATOM 194 CD1 ILE A 686 6.829 -7.742 -3.560 1.00 0.00 C ATOM 0 H ILE A 686 8.168 -10.751 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 686 10.055 -10.285 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 686 7.018 -10.358 -3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 686 8.947 -8.008 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 686 8.391 -8.601 -4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.124 -9.202 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.829 -10.833 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 686 8.891 -9.407 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 686 6.951 -6.745 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 686 6.022 -8.260 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 686 6.586 -7.659 -2.501 1.00 0.00 H new ATOM 206 N ILE A 687 8.210 -13.009 -3.072 1.00 0.00 N ATOM 207 CA ILE A 687 8.127 -14.278 -2.359 1.00 0.00 C ATOM 208 C ILE A 687 9.407 -15.086 -2.552 1.00 0.00 C ATOM 209 O ILE A 687 9.919 -15.690 -1.611 1.00 0.00 O ATOM 210 CB ILE A 687 6.932 -15.086 -2.867 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.634 -14.395 -2.442 1.00 0.00 C ATOM 212 CG2 ILE A 687 6.976 -16.495 -2.271 1.00 0.00 C ATOM 213 CD1 ILE A 687 4.452 -15.035 -3.172 1.00 0.00 C ATOM 0 H ILE A 687 7.514 -12.888 -3.808 1.00 0.00 H new ATOM 0 HA ILE A 687 7.999 -14.068 -1.297 1.00 0.00 H new ATOM 0 HB ILE A 687 6.973 -15.150 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.499 -14.482 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 687 5.684 -13.331 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.124 -17.070 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 687 7.901 -16.988 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 687 6.935 -16.432 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 687 3.528 -14.543 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 687 4.586 -14.925 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 687 4.399 -16.094 -2.920 1.00 0.00 H new ATOM 225 N ILE A 688 9.917 -15.089 -3.780 1.00 0.00 N ATOM 226 CA ILE A 688 11.138 -15.824 -4.087 1.00 0.00 C ATOM 227 C ILE A 688 12.291 -15.341 -3.209 1.00 0.00 C ATOM 228 O ILE A 688 13.069 -16.143 -2.692 1.00 0.00 O ATOM 229 CB ILE A 688 11.506 -15.653 -5.561 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.497 -16.409 -6.429 1.00 0.00 C ATOM 231 CG2 ILE A 688 12.908 -16.213 -5.807 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.665 -15.991 -7.891 1.00 0.00 C ATOM 0 H ILE A 688 9.507 -14.595 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 688 10.959 -16.880 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 688 11.488 -14.594 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 688 10.648 -17.484 -6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 688 9.482 -16.197 -6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.169 -16.091 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.628 -15.676 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 688 12.927 -17.272 -5.549 1.00 0.00 H new ATOM 0 HD11 ILE A 688 9.946 -16.530 -8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 688 10.492 -14.919 -7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 688 11.676 -16.226 -8.223 1.00 0.00 H new ATOM 244 N VAL A 689 12.392 -14.026 -3.047 1.00 0.00 N ATOM 245 CA VAL A 689 13.454 -13.448 -2.231 1.00 0.00 C ATOM 246 C VAL A 689 13.291 -13.854 -0.770 1.00 0.00 C ATOM 247 O VAL A 689 14.263 -14.198 -0.098 1.00 0.00 O ATOM 248 CB VAL A 689 13.427 -11.923 -2.344 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.391 -11.317 -1.324 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.851 -11.509 -3.755 1.00 0.00 C ATOM 0 H VAL A 689 11.758 -13.346 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 689 14.410 -13.823 -2.595 1.00 0.00 H new ATOM 0 HB VAL A 689 12.417 -11.563 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.371 -10.230 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 689 14.089 -11.611 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.401 -11.677 -1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.832 -10.422 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.860 -11.870 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.163 -11.939 -4.483 1.00 0.00 H new ATOM 260 N GLY A 690 12.055 -13.813 -0.283 1.00 0.00 N ATOM 261 CA GLY A 690 11.778 -14.178 1.102 1.00 0.00 C ATOM 262 C GLY A 690 12.125 -15.643 1.348 1.00 0.00 C ATOM 263 O GLY A 690 12.675 -15.994 2.392 1.00 0.00 O ATOM 0 H GLY A 690 11.235 -13.533 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.356 -13.543 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.726 -14.005 1.326 1.00 0.00 H new ATOM 267 N SER A 691 11.799 -16.494 0.380 1.00 0.00 N ATOM 268 CA SER A 691 12.082 -17.920 0.503 1.00 0.00 C ATOM 269 C SER A 691 13.585 -18.158 0.627 1.00 0.00 C ATOM 270 O SER A 691 14.029 -18.960 1.447 1.00 0.00 O ATOM 271 CB SER A 691 11.529 -18.694 -0.695 1.00 0.00 C ATOM 272 OG SER A 691 12.204 -18.297 -1.875 1.00 0.00 O ATOM 0 H SER A 691 11.342 -16.224 -0.491 1.00 0.00 H new ATOM 0 HA SER A 691 11.590 -18.282 1.405 1.00 0.00 H new ATOM 0 HB2 SER A 691 11.654 -19.765 -0.537 1.00 0.00 H new ATOM 0 HB3 SER A 691 10.460 -18.509 -0.797 1.00 0.00 H new ATOM 0 HG SER A 691 12.402 -17.338 -1.832 1.00 0.00 H new ATOM 278 N LEU A 692 14.359 -17.456 -0.193 1.00 0.00 N ATOM 279 CA LEU A 692 15.810 -17.601 -0.166 1.00 0.00 C ATOM 280 C LEU A 692 16.369 -17.119 1.170 1.00 0.00 C ATOM 281 O LEU A 692 17.251 -17.752 1.750 1.00 0.00 O ATOM 282 CB LEU A 692 16.436 -16.795 -1.307 1.00 0.00 C ATOM 283 CG LEU A 692 17.955 -16.982 -1.294 1.00 0.00 C ATOM 284 CD1 LEU A 692 18.468 -17.087 -2.732 1.00 0.00 C ATOM 285 CD2 LEU A 692 18.609 -15.781 -0.607 1.00 0.00 C ATOM 0 H LEU A 692 14.010 -16.786 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 692 16.056 -18.656 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 692 16.027 -17.122 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 692 16.188 -15.739 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 692 18.205 -17.894 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 692 19.550 -17.220 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 692 18.001 -17.941 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 692 18.219 -16.175 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 692 19.691 -15.912 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 692 18.359 -14.870 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 692 18.243 -15.704 0.417 1.00 0.00 H new ATOM 297 N ILE A 693 15.850 -15.991 1.649 1.00 0.00 N ATOM 298 CA ILE A 693 16.305 -15.431 2.917 1.00 0.00 C ATOM 299 C ILE A 693 16.028 -16.403 4.062 1.00 0.00 C ATOM 300 O ILE A 693 16.860 -16.580 4.952 1.00 0.00 O ATOM 301 CB ILE A 693 15.596 -14.104 3.186 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.082 -13.054 2.184 1.00 0.00 C ATOM 303 CG2 ILE A 693 15.911 -13.636 4.607 1.00 0.00 C ATOM 304 CD1 ILE A 693 15.185 -11.818 2.263 1.00 0.00 C ATOM 0 H ILE A 693 15.121 -15.452 1.183 1.00 0.00 H new ATOM 0 HA ILE A 693 17.380 -15.260 2.853 1.00 0.00 H new ATOM 0 HB ILE A 693 14.520 -14.239 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 693 17.115 -12.781 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 693 16.065 -13.464 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.405 -12.690 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.565 -14.383 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 693 16.987 -13.501 4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 693 15.532 -11.071 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 693 14.159 -12.098 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 693 15.225 -11.403 3.270 1.00 0.00 H new ATOM 316 N GLY A 694 14.855 -17.027 4.030 1.00 0.00 N ATOM 317 CA GLY A 694 14.479 -17.978 5.070 1.00 0.00 C ATOM 318 C GLY A 694 15.404 -19.193 5.047 1.00 0.00 C ATOM 319 O GLY A 694 15.901 -19.625 6.086 1.00 0.00 O ATOM 0 H GLY A 694 14.154 -16.893 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.528 -17.496 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.447 -18.297 4.923 1.00 0.00 H new ATOM 323 N LEU A 695 15.627 -19.739 3.855 1.00 0.00 N ATOM 324 CA LEU A 695 16.493 -20.903 3.711 1.00 0.00 C ATOM 325 C LEU A 695 17.858 -20.633 4.333 1.00 0.00 C ATOM 326 O LEU A 695 18.384 -21.459 5.081 1.00 0.00 O ATOM 327 CB LEU A 695 16.663 -21.257 2.229 1.00 0.00 C ATOM 328 CG LEU A 695 15.758 -22.440 1.852 1.00 0.00 C ATOM 329 CD1 LEU A 695 16.279 -23.723 2.509 1.00 0.00 C ATOM 330 CD2 LEU A 695 14.318 -22.174 2.314 1.00 0.00 C ATOM 0 H LEU A 695 15.224 -19.397 2.983 1.00 0.00 H new ATOM 0 HA LEU A 695 16.028 -21.742 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 695 16.418 -20.393 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.704 -21.508 2.026 1.00 0.00 H new ATOM 0 HG LEU A 695 15.768 -22.558 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 695 15.633 -24.558 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 695 17.294 -23.922 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 695 16.281 -23.602 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 695 13.686 -23.019 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 695 14.301 -22.043 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 695 13.943 -21.271 1.833 1.00 0.00 H new ATOM 342 N ARG A 696 18.426 -19.474 4.020 1.00 0.00 N ATOM 343 CA ARG A 696 19.732 -19.104 4.554 1.00 0.00 C ATOM 344 C ARG A 696 19.692 -19.043 6.077 1.00 0.00 C ATOM 345 O ARG A 696 20.581 -19.560 6.753 1.00 0.00 O ATOM 346 CB ARG A 696 20.155 -17.743 3.988 1.00 0.00 C ATOM 347 CG ARG A 696 21.504 -17.306 4.579 1.00 0.00 C ATOM 348 CD ARG A 696 22.603 -18.290 4.168 1.00 0.00 C ATOM 349 NE ARG A 696 23.899 -17.833 4.663 1.00 0.00 N ATOM 350 CZ ARG A 696 24.617 -16.913 4.017 1.00 0.00 C ATOM 351 NH1 ARG A 696 24.177 -16.375 2.907 1.00 0.00 N ATOM 352 NH2 ARG A 696 25.772 -16.543 4.499 1.00 0.00 N ATOM 0 H ARG A 696 18.006 -18.778 3.403 1.00 0.00 H new ATOM 0 HA ARG A 696 20.458 -19.861 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 696 20.230 -17.802 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 696 19.394 -16.997 4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 696 21.754 -16.304 4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 696 21.435 -17.259 5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 696 22.382 -19.280 4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 696 22.632 -18.382 3.082 1.00 0.00 H new ATOM 0 HE ARG A 696 24.266 -18.229 5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 696 23.274 -16.658 2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 696 24.737 -15.673 2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 696 26.120 -16.957 5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 696 26.327 -15.840 4.011 1.00 0.00 H new ATOM 366 N ILE A 697 18.657 -18.404 6.614 1.00 0.00 N ATOM 367 CA ILE A 697 18.515 -18.279 8.060 1.00 0.00 C ATOM 368 C ILE A 697 18.476 -19.655 8.714 1.00 0.00 C ATOM 369 O ILE A 697 19.150 -19.896 9.717 1.00 0.00 O ATOM 370 CB ILE A 697 17.236 -17.511 8.401 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.398 -16.046 7.987 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.978 -17.588 9.907 1.00 0.00 C ATOM 373 CD1 ILE A 697 16.041 -15.343 8.050 1.00 0.00 C ATOM 0 H ILE A 697 17.910 -17.968 6.074 1.00 0.00 H new ATOM 0 HA ILE A 697 19.376 -17.731 8.443 1.00 0.00 H new ATOM 0 HB ILE A 697 16.395 -17.952 7.866 1.00 0.00 H new ATOM 0 HG12 ILE A 697 18.108 -15.547 8.647 1.00 0.00 H new ATOM 0 HG13 ILE A 697 17.804 -15.985 6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 697 16.067 -17.041 10.149 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.864 -18.631 10.204 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.819 -17.148 10.443 1.00 0.00 H new ATOM 0 HD11 ILE A 697 16.157 -14.300 7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 697 15.344 -15.836 7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 697 15.653 -15.391 9.068 1.00 0.00 H new ATOM 385 N VAL A 698 17.682 -20.554 8.146 1.00 0.00 N ATOM 386 CA VAL A 698 17.560 -21.905 8.684 1.00 0.00 C ATOM 387 C VAL A 698 18.926 -22.582 8.735 1.00 0.00 C ATOM 388 O VAL A 698 19.282 -23.212 9.730 1.00 0.00 O ATOM 389 CB VAL A 698 16.613 -22.730 7.813 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.675 -24.198 8.241 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.185 -22.212 7.984 1.00 0.00 C ATOM 0 H VAL A 698 17.115 -20.375 7.317 1.00 0.00 H new ATOM 0 HA VAL A 698 17.158 -21.840 9.695 1.00 0.00 H new ATOM 0 HB VAL A 698 16.911 -22.642 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 698 16.000 -24.787 7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.693 -24.569 8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.376 -24.285 9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.508 -22.799 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.888 -22.301 9.029 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.139 -21.166 7.682 1.00 0.00 H new ATOM 401 N PHE A 699 19.686 -22.445 7.654 1.00 0.00 N ATOM 402 CA PHE A 699 21.011 -23.047 7.582 1.00 0.00 C ATOM 403 C PHE A 699 21.929 -22.443 8.642 1.00 0.00 C ATOM 404 O PHE A 699 22.684 -23.156 9.301 1.00 0.00 O ATOM 405 CB PHE A 699 21.614 -22.820 6.196 1.00 0.00 C ATOM 406 CG PHE A 699 22.983 -23.455 6.133 1.00 0.00 C ATOM 407 CD1 PHE A 699 24.129 -22.662 6.265 1.00 0.00 C ATOM 408 CD2 PHE A 699 23.105 -24.837 5.944 1.00 0.00 C ATOM 409 CE1 PHE A 699 25.399 -23.250 6.208 1.00 0.00 C ATOM 410 CE2 PHE A 699 24.375 -25.425 5.886 1.00 0.00 C ATOM 411 CZ PHE A 699 25.521 -24.633 6.018 1.00 0.00 C ATOM 0 H PHE A 699 19.409 -21.926 6.821 1.00 0.00 H new ATOM 0 HA PHE A 699 20.914 -24.117 7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 699 20.967 -23.249 5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 699 21.687 -21.752 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 699 24.034 -21.596 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 699 22.221 -25.449 5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 699 26.283 -22.638 6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 699 24.470 -26.491 5.739 1.00 0.00 H new ATOM 0 HZ PHE A 699 26.500 -25.088 5.973 1.00 0.00 H new ATOM 421 N ALA A 700 21.855 -21.125 8.798 1.00 0.00 N ATOM 422 CA ALA A 700 22.682 -20.436 9.782 1.00 0.00 C ATOM 423 C ALA A 700 22.367 -20.934 11.189 1.00 0.00 C ATOM 424 O ALA A 700 23.271 -21.168 11.991 1.00 0.00 O ATOM 425 CB ALA A 700 22.437 -18.929 9.708 1.00 0.00 C ATOM 0 H ALA A 700 21.237 -20.517 8.261 1.00 0.00 H new ATOM 0 HA ALA A 700 23.728 -20.645 9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 700 23.059 -18.423 10.446 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.690 -18.568 8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.387 -18.721 9.914 1.00 0.00 H new ATOM 431 N VAL A 701 21.080 -21.096 11.480 1.00 0.00 N ATOM 432 CA VAL A 701 20.658 -21.569 12.793 1.00 0.00 C ATOM 433 C VAL A 701 21.227 -22.958 13.066 1.00 0.00 C ATOM 434 O VAL A 701 21.718 -23.235 14.160 1.00 0.00 O ATOM 435 CB VAL A 701 19.130 -21.616 12.864 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.699 -22.327 14.150 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.577 -20.190 12.861 1.00 0.00 C ATOM 0 H VAL A 701 20.317 -20.908 10.830 1.00 0.00 H new ATOM 0 HA VAL A 701 21.034 -20.879 13.548 1.00 0.00 H new ATOM 0 HB VAL A 701 18.743 -22.159 12.002 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.611 -22.360 14.200 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.094 -23.343 14.154 1.00 0.00 H new ATOM 0 HG13 VAL A 701 19.086 -21.784 15.013 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.489 -20.222 12.912 1.00 0.00 H new ATOM 0 HG22 VAL A 701 18.965 -19.648 13.723 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.883 -19.683 11.946 1.00 0.00 H new ATOM 447 N LEU A 702 21.156 -23.827 12.064 1.00 0.00 N ATOM 448 CA LEU A 702 21.666 -25.186 12.206 1.00 0.00 C ATOM 449 C LEU A 702 23.171 -25.172 12.462 1.00 0.00 C ATOM 450 O LEU A 702 23.670 -25.903 13.317 1.00 0.00 O ATOM 451 CB LEU A 702 21.369 -25.990 10.934 1.00 0.00 C ATOM 452 CG LEU A 702 21.924 -27.413 11.066 1.00 0.00 C ATOM 453 CD1 LEU A 702 21.245 -28.129 12.234 1.00 0.00 C ATOM 454 CD2 LEU A 702 21.652 -28.183 9.772 1.00 0.00 C ATOM 0 H LEU A 702 20.753 -23.617 11.151 1.00 0.00 H new ATOM 0 HA LEU A 702 21.170 -25.653 13.057 1.00 0.00 H new ATOM 0 HB2 LEU A 702 20.294 -26.026 10.760 1.00 0.00 H new ATOM 0 HB3 LEU A 702 21.815 -25.496 10.071 1.00 0.00 H new ATOM 0 HG LEU A 702 22.997 -27.366 11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 702 21.644 -29.140 12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 702 21.436 -27.581 13.157 1.00 0.00 H new ATOM 0 HD13 LEU A 702 20.171 -28.177 12.056 1.00 0.00 H new ATOM 0 HD21 LEU A 702 22.045 -29.196 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 702 20.578 -28.225 9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 702 22.139 -27.677 8.938 1.00 0.00 H new ATOM 466 N SER A 703 23.884 -24.334 11.717 1.00 0.00 N ATOM 467 CA SER A 703 25.331 -24.236 11.874 1.00 0.00 C ATOM 468 C SER A 703 25.686 -23.735 13.269 1.00 0.00 C ATOM 469 O SER A 703 26.625 -24.226 13.896 1.00 0.00 O ATOM 470 CB SER A 703 25.906 -23.282 10.826 1.00 0.00 C ATOM 471 OG SER A 703 25.724 -23.841 9.532 1.00 0.00 O ATOM 0 H SER A 703 23.489 -23.719 11.006 1.00 0.00 H new ATOM 0 HA SER A 703 25.760 -25.228 11.737 1.00 0.00 H new ATOM 0 HB2 SER A 703 25.411 -22.313 10.889 1.00 0.00 H new ATOM 0 HB3 SER A 703 26.966 -23.111 11.015 1.00 0.00 H new ATOM 0 HG SER A 703 24.790 -23.729 9.256 1.00 0.00 H new ATOM 477 N LEU A 704 24.927 -22.757 13.750 1.00 0.00 N ATOM 478 CA LEU A 704 25.169 -22.193 15.074 1.00 0.00 C ATOM 479 C LEU A 704 24.954 -23.248 16.156 1.00 0.00 C ATOM 480 O LEU A 704 25.725 -23.338 17.111 1.00 0.00 O ATOM 481 CB LEU A 704 24.230 -21.006 15.315 1.00 0.00 C ATOM 482 CG LEU A 704 24.473 -20.413 16.707 1.00 0.00 C ATOM 483 CD1 LEU A 704 25.908 -19.890 16.807 1.00 0.00 C ATOM 484 CD2 LEU A 704 23.497 -19.257 16.943 1.00 0.00 C ATOM 0 H LEU A 704 24.144 -22.340 13.247 1.00 0.00 H new ATOM 0 HA LEU A 704 26.203 -21.852 15.120 1.00 0.00 H new ATOM 0 HB2 LEU A 704 24.393 -20.243 14.553 1.00 0.00 H new ATOM 0 HB3 LEU A 704 23.193 -21.329 15.225 1.00 0.00 H new ATOM 0 HG LEU A 704 24.319 -21.187 17.459 1.00 0.00 H new ATOM 0 HD11 LEU A 704 26.074 -19.470 17.799 1.00 0.00 H new ATOM 0 HD12 LEU A 704 26.607 -20.710 16.639 1.00 0.00 H new ATOM 0 HD13 LEU A 704 26.067 -19.118 16.055 1.00 0.00 H new ATOM 0 HD21 LEU A 704 23.668 -18.833 17.933 1.00 0.00 H new ATOM 0 HD22 LEU A 704 23.654 -18.488 16.187 1.00 0.00 H new ATOM 0 HD23 LEU A 704 22.473 -19.626 16.878 1.00 0.00 H new ATOM 496 N VAL A 705 23.898 -24.041 16.002 1.00 0.00 N ATOM 497 CA VAL A 705 23.592 -25.082 16.976 1.00 0.00 C ATOM 498 C VAL A 705 24.698 -26.132 17.003 1.00 0.00 C ATOM 499 O VAL A 705 25.105 -26.590 18.070 1.00 0.00 O ATOM 500 CB VAL A 705 22.273 -25.759 16.593 1.00 0.00 C ATOM 501 CG1 VAL A 705 22.061 -26.994 17.471 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.117 -24.779 16.805 1.00 0.00 C ATOM 0 H VAL A 705 23.246 -23.984 15.220 1.00 0.00 H new ATOM 0 HA VAL A 705 23.511 -24.626 17.963 1.00 0.00 H new ATOM 0 HB VAL A 705 22.308 -26.059 15.546 1.00 0.00 H new ATOM 0 HG11 VAL A 705 21.122 -27.477 17.199 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.885 -27.692 17.322 1.00 0.00 H new ATOM 0 HG13 VAL A 705 22.025 -26.694 18.518 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.178 -25.260 16.533 1.00 0.00 H new ATOM 0 HG22 VAL A 705 21.081 -24.480 17.853 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.268 -23.898 16.181 1.00 0.00 H new ATOM 512 N ASN A 706 25.181 -26.507 15.824 1.00 0.00 N ATOM 513 CA ASN A 706 26.240 -27.504 15.724 1.00 0.00 C ATOM 514 C ASN A 706 27.489 -27.030 16.462 1.00 0.00 C ATOM 515 O ASN A 706 28.138 -27.804 17.163 1.00 0.00 O ATOM 516 CB ASN A 706 26.579 -27.763 14.256 1.00 0.00 C ATOM 517 CG ASN A 706 27.510 -28.966 14.139 1.00 0.00 C ATOM 518 OD1 ASN A 706 27.395 -29.919 14.909 1.00 0.00 O ATOM 519 ND2 ASN A 706 28.432 -28.979 13.214 1.00 0.00 N ATOM 0 H ASN A 706 24.859 -26.138 14.929 1.00 0.00 H new ATOM 0 HA ASN A 706 25.888 -28.429 16.181 1.00 0.00 H new ATOM 0 HB2 ASN A 706 25.665 -27.944 13.690 1.00 0.00 H new ATOM 0 HB3 ASN A 706 27.053 -26.882 13.823 1.00 0.00 H new ATOM 0 HD21 ASN A 706 29.058 -29.780 13.129 1.00 0.00 H new ATOM 0 HD22 ASN A 706 28.526 -28.188 12.577 1.00 0.00 H new ATOM 526 N ARG A 707 27.818 -25.754 16.294 1.00 0.00 N ATOM 527 CA ARG A 707 28.992 -25.186 16.948 1.00 0.00 C ATOM 528 C ARG A 707 28.834 -25.225 18.465 1.00 0.00 C ATOM 529 O ARG A 707 29.760 -25.599 19.185 1.00 0.00 O ATOM 530 CB ARG A 707 29.198 -23.739 16.491 1.00 0.00 C ATOM 531 CG ARG A 707 30.449 -23.165 17.162 1.00 0.00 C ATOM 532 CD ARG A 707 30.685 -21.736 16.666 1.00 0.00 C ATOM 533 NE ARG A 707 31.860 -21.163 17.318 1.00 0.00 N ATOM 534 CZ ARG A 707 32.276 -19.923 17.052 1.00 0.00 C ATOM 535 NH1 ARG A 707 31.640 -19.173 16.188 1.00 0.00 N ATOM 536 NH2 ARG A 707 33.332 -19.454 17.661 1.00 0.00 N ATOM 0 H ARG A 707 27.294 -25.098 15.716 1.00 0.00 H new ATOM 0 HA ARG A 707 29.861 -25.782 16.670 1.00 0.00 H new ATOM 0 HB2 ARG A 707 29.304 -23.700 15.407 1.00 0.00 H new ATOM 0 HB3 ARG A 707 28.326 -23.138 16.748 1.00 0.00 H new ATOM 0 HG2 ARG A 707 30.328 -23.170 18.245 1.00 0.00 H new ATOM 0 HG3 ARG A 707 31.314 -23.788 16.935 1.00 0.00 H new ATOM 0 HD2 ARG A 707 30.824 -21.737 15.585 1.00 0.00 H new ATOM 0 HD3 ARG A 707 29.809 -21.122 16.874 1.00 0.00 H new ATOM 0 HE ARG A 707 32.376 -21.725 17.994 1.00 0.00 H new ATOM 0 HH11 ARG A 707 30.815 -19.534 15.708 1.00 0.00 H new ATOM 0 HH12 ARG A 707 31.969 -18.227 15.994 1.00 0.00 H new ATOM 0 HH21 ARG A 707 33.832 -20.034 18.334 1.00 0.00 H new ATOM 0 HH22 ARG A 707 33.656 -18.507 17.463 1.00 0.00 H new ATOM 550 N VAL A 708 27.656 -24.838 18.943 1.00 0.00 N ATOM 551 CA VAL A 708 27.391 -24.833 20.378 1.00 0.00 C ATOM 552 C VAL A 708 27.474 -26.247 20.944 1.00 0.00 C ATOM 553 O VAL A 708 28.048 -26.466 22.009 1.00 0.00 O ATOM 554 CB VAL A 708 26.097 -24.128 20.792 1.00 0.00 C ATOM 555 CG1 VAL A 708 26.204 -22.640 20.455 1.00 0.00 C ATOM 556 CG2 VAL A 708 24.929 -24.716 20.055 1.00 0.00 C ATOM 0 H VAL A 708 26.876 -24.526 18.364 1.00 0.00 H new ATOM 0 HA VAL A 708 28.180 -24.225 20.821 1.00 0.00 H new ATOM 0 HB VAL A 708 25.947 -24.260 21.864 1.00 0.00 H new ATOM 0 HG11 VAL A 708 25.284 -22.134 20.748 1.00 0.00 H new ATOM 0 HG12 VAL A 708 27.046 -22.205 20.994 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.358 -22.520 19.383 1.00 0.00 H new ATOM 0 HG21 VAL A 708 24.014 -24.207 20.358 1.00 0.00 H new ATOM 0 HG22 VAL A 708 25.076 -24.592 18.982 1.00 0.00 H new ATOM 0 HG23 VAL A 708 24.848 -25.777 20.289 1.00 0.00 H new ATOM 566 N ARG A 709 26.897 -27.203 20.220 1.00 0.00 N ATOM 567 CA ARG A 709 26.915 -28.593 20.658 1.00 0.00 C ATOM 568 C ARG A 709 28.333 -29.150 20.618 1.00 0.00 C ATOM 569 O ARG A 709 28.718 -29.958 21.464 1.00 0.00 O ATOM 570 CB ARG A 709 26.002 -29.431 19.754 1.00 0.00 C ATOM 571 CG ARG A 709 26.024 -30.905 20.183 1.00 0.00 C ATOM 572 CD ARG A 709 25.443 -31.052 21.593 1.00 0.00 C ATOM 573 NE ARG A 709 25.391 -32.462 21.972 1.00 0.00 N ATOM 574 CZ ARG A 709 24.396 -33.261 21.583 1.00 0.00 C ATOM 575 NH1 ARG A 709 23.428 -32.809 20.827 1.00 0.00 N ATOM 576 NH2 ARG A 709 24.389 -34.511 21.961 1.00 0.00 N ATOM 0 H ARG A 709 26.416 -27.041 19.335 1.00 0.00 H new ATOM 0 HA ARG A 709 26.553 -28.640 21.685 1.00 0.00 H new ATOM 0 HB2 ARG A 709 24.983 -29.048 19.802 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.327 -29.343 18.717 1.00 0.00 H new ATOM 0 HG2 ARG A 709 25.447 -31.505 19.479 1.00 0.00 H new ATOM 0 HG3 ARG A 709 27.046 -31.283 20.161 1.00 0.00 H new ATOM 0 HD2 ARG A 709 26.054 -30.498 22.306 1.00 0.00 H new ATOM 0 HD3 ARG A 709 24.442 -30.621 21.629 1.00 0.00 H new ATOM 0 HE ARG A 709 26.137 -32.847 22.551 1.00 0.00 H new ATOM 0 HH11 ARG A 709 23.428 -31.834 20.527 1.00 0.00 H new ATOM 0 HH12 ARG A 709 22.674 -33.432 20.537 1.00 0.00 H new ATOM 0 HH21 ARG A 709 25.141 -34.870 22.549 1.00 0.00 H new ATOM 0 HH22 ARG A 709 23.632 -35.128 21.668 1.00 0.00 H new ATOM 590 N GLN A 710 29.107 -28.716 19.629 1.00 0.00 N ATOM 591 CA GLN A 710 30.482 -29.179 19.489 1.00 0.00 C ATOM 592 C GLN A 710 31.361 -28.577 20.579 1.00 0.00 C ATOM 593 O GLN A 710 31.569 -27.364 20.624 1.00 0.00 O ATOM 594 CB GLN A 710 31.025 -28.783 18.115 1.00 0.00 C ATOM 595 CG GLN A 710 32.457 -29.297 17.966 1.00 0.00 C ATOM 596 CD GLN A 710 32.979 -28.987 16.568 1.00 0.00 C ATOM 597 OE1 GLN A 710 33.857 -29.780 16.019 1.00 0.00 O flip ATOM 598 NE2 GLN A 710 32.574 -27.998 15.958 1.00 0.00 N flip ATOM 0 H GLN A 710 28.808 -28.049 18.917 1.00 0.00 H new ATOM 0 HA GLN A 710 30.495 -30.265 19.586 1.00 0.00 H new ATOM 0 HB2 GLN A 710 30.394 -29.199 17.329 1.00 0.00 H new ATOM 0 HB3 GLN A 710 31.003 -27.699 18.002 1.00 0.00 H new ATOM 0 HG2 GLN A 710 33.099 -28.832 18.714 1.00 0.00 H new ATOM 0 HG3 GLN A 710 32.487 -30.372 18.144 1.00 0.00 H new ATOM 0 HE21 GLN A 710 31.887 -27.379 16.389 1.00 0.00 H new ATOM 0 HE22 GLN A 710 32.925 -27.797 15.022 1.00 0.00 H new ATOM 607 N GLY A 711 31.897 -29.441 21.434 1.00 0.00 N ATOM 608 CA GLY A 711 32.776 -28.995 22.506 1.00 0.00 C ATOM 609 C GLY A 711 34.238 -29.151 22.100 1.00 0.00 C ATOM 610 O GLY A 711 35.119 -28.493 22.653 1.00 0.00 O ATOM 0 H GLY A 711 31.739 -30.448 21.405 1.00 0.00 H new ATOM 0 HA2 GLY A 711 32.568 -27.952 22.744 1.00 0.00 H new ATOM 0 HA3 GLY A 711 32.580 -29.573 23.409 1.00 0.00 H new ATOM 614 N TYR A 712 34.489 -30.030 21.127 1.00 0.00 N ATOM 615 CA TYR A 712 35.849 -30.264 20.653 1.00 0.00 C ATOM 616 C TYR A 712 35.832 -30.804 19.223 1.00 0.00 C ATOM 617 O TYR A 712 34.847 -31.401 18.791 1.00 0.00 O ATOM 618 CB TYR A 712 36.528 -31.295 21.559 1.00 0.00 C ATOM 619 CG TYR A 712 35.815 -32.621 21.415 1.00 0.00 C ATOM 620 CD1 TYR A 712 36.264 -33.558 20.475 1.00 0.00 C ATOM 621 CD2 TYR A 712 34.696 -32.909 22.208 1.00 0.00 C ATOM 622 CE1 TYR A 712 35.597 -34.782 20.328 1.00 0.00 C ATOM 623 CE2 TYR A 712 34.029 -34.133 22.062 1.00 0.00 C ATOM 624 CZ TYR A 712 34.479 -35.069 21.123 1.00 0.00 C ATOM 625 OH TYR A 712 33.821 -36.275 20.974 1.00 0.00 O ATOM 0 H TYR A 712 33.774 -30.585 20.658 1.00 0.00 H new ATOM 0 HA TYR A 712 36.394 -29.320 20.674 1.00 0.00 H new ATOM 0 HB2 TYR A 712 37.578 -31.401 21.288 1.00 0.00 H new ATOM 0 HB3 TYR A 712 36.498 -30.962 22.597 1.00 0.00 H new ATOM 0 HD1 TYR A 712 37.126 -33.337 19.863 1.00 0.00 H new ATOM 0 HD2 TYR A 712 34.347 -32.187 22.932 1.00 0.00 H new ATOM 0 HE1 TYR A 712 35.944 -35.503 19.603 1.00 0.00 H new ATOM 0 HE2 TYR A 712 33.167 -34.354 22.674 1.00 0.00 H new ATOM 0 HH TYR A 712 33.069 -36.317 21.601 1.00 0.00 H new ATOM 635 N SER A 713 36.940 -30.620 18.504 1.00 0.00 N ATOM 636 CA SER A 713 37.035 -31.132 17.139 1.00 0.00 C ATOM 637 C SER A 713 37.922 -32.386 17.101 1.00 0.00 C ATOM 638 O SER A 713 37.435 -33.467 16.768 1.00 0.00 O ATOM 639 CB SER A 713 37.553 -30.056 16.178 1.00 0.00 C ATOM 640 OG SER A 713 36.450 -29.368 15.604 1.00 0.00 O ATOM 0 H SER A 713 37.770 -30.129 18.837 1.00 0.00 H new ATOM 0 HA SER A 713 36.035 -31.410 16.807 1.00 0.00 H new ATOM 0 HB2 SER A 713 38.196 -29.355 16.711 1.00 0.00 H new ATOM 0 HB3 SER A 713 38.159 -30.512 15.395 1.00 0.00 H new ATOM 0 HG SER A 713 35.625 -29.868 15.779 1.00 0.00 H new ATOM 646 N PRO A 714 39.195 -32.294 17.452 1.00 0.00 N ATOM 647 CA PRO A 714 40.099 -33.482 17.464 1.00 0.00 C ATOM 648 C PRO A 714 39.873 -34.334 18.711 1.00 0.00 C ATOM 649 O PRO A 714 39.352 -33.846 19.714 1.00 0.00 O ATOM 650 CB PRO A 714 41.494 -32.866 17.465 1.00 0.00 C ATOM 651 CG PRO A 714 41.332 -31.581 18.202 1.00 0.00 C ATOM 652 CD PRO A 714 39.925 -31.076 17.874 1.00 0.00 C ATOM 0 HA PRO A 714 39.931 -34.151 16.620 1.00 0.00 H new ATOM 0 HB2 PRO A 714 42.216 -33.518 17.957 1.00 0.00 H new ATOM 0 HB3 PRO A 714 41.855 -32.699 16.450 1.00 0.00 H new ATOM 0 HG2 PRO A 714 41.452 -31.730 19.275 1.00 0.00 H new ATOM 0 HG3 PRO A 714 42.087 -30.858 17.894 1.00 0.00 H new ATOM 0 HD2 PRO A 714 39.456 -30.610 18.741 1.00 0.00 H new ATOM 0 HD3 PRO A 714 39.944 -30.328 17.082 1.00 0.00 H new ATOM 660 N LEU A 715 40.261 -35.601 18.651 1.00 0.00 N ATOM 661 CA LEU A 715 40.082 -36.486 19.795 1.00 0.00 C ATOM 662 C LEU A 715 41.398 -36.671 20.544 1.00 0.00 C ATOM 663 O LEU A 715 42.388 -37.133 19.976 1.00 0.00 O ATOM 664 CB LEU A 715 39.554 -37.843 19.321 1.00 0.00 C ATOM 665 CG LEU A 715 39.410 -38.798 20.511 1.00 0.00 C ATOM 666 CD1 LEU A 715 38.415 -38.218 21.521 1.00 0.00 C ATOM 667 CD2 LEU A 715 38.897 -40.148 20.010 1.00 0.00 C ATOM 0 H LEU A 715 40.695 -36.034 17.836 1.00 0.00 H new ATOM 0 HA LEU A 715 39.360 -36.035 20.475 1.00 0.00 H new ATOM 0 HB2 LEU A 715 38.590 -37.715 18.829 1.00 0.00 H new ATOM 0 HB3 LEU A 715 40.234 -38.269 18.583 1.00 0.00 H new ATOM 0 HG LEU A 715 40.378 -38.927 20.994 1.00 0.00 H new ATOM 0 HD11 LEU A 715 38.315 -38.900 22.366 1.00 0.00 H new ATOM 0 HD12 LEU A 715 38.777 -37.252 21.875 1.00 0.00 H new ATOM 0 HD13 LEU A 715 37.444 -38.089 21.042 1.00 0.00 H new ATOM 0 HD21 LEU A 715 38.792 -40.833 20.852 1.00 0.00 H new ATOM 0 HD22 LEU A 715 37.928 -40.013 19.529 1.00 0.00 H new ATOM 0 HD23 LEU A 715 39.604 -40.562 19.291 1.00 0.00 H new ATOM 679 N SER A 716 41.397 -36.309 21.822 1.00 0.00 N ATOM 680 CA SER A 716 42.594 -36.439 22.646 1.00 0.00 C ATOM 681 C SER A 716 42.831 -37.899 23.018 1.00 0.00 C ATOM 682 O SER A 716 42.366 -38.305 24.071 1.00 0.00 O ATOM 683 CB SER A 716 42.440 -35.603 23.917 1.00 0.00 C ATOM 684 OG SER A 716 41.173 -35.868 24.503 1.00 0.00 O ATOM 685 OXT SER A 716 43.472 -38.590 22.245 1.00 0.00 O ATOM 0 H SER A 716 40.586 -35.925 22.308 1.00 0.00 H new ATOM 0 HA SER A 716 43.450 -36.080 22.075 1.00 0.00 H new ATOM 0 HB2 SER A 716 43.236 -35.842 24.622 1.00 0.00 H new ATOM 0 HB3 SER A 716 42.530 -34.543 23.682 1.00 0.00 H new ATOM 0 HG SER A 716 41.059 -36.835 24.613 1.00 0.00 H new TER 691 SER A 716