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= -0.0435 K(o=-0.043,f=-1.8!) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 691 SER OG : rot 75:sc= 0.583 USER MOD Single : A 703 SER OG : rot 180:sc= 0 USER MOD Single : A 706 ASN : amide:sc= -0.0511 K(o=-0.051,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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 677 -0.822 -7.114 -13.871 1.00 0.00 N ATOM 2 CA ASN A 677 0.230 -7.990 -14.458 1.00 0.00 C ATOM 3 C ASN A 677 1.571 -7.678 -13.803 1.00 0.00 C ATOM 4 O ASN A 677 2.249 -8.573 -13.296 1.00 0.00 O ATOM 5 CB ASN A 677 0.313 -7.742 -15.966 1.00 0.00 C ATOM 6 CG ASN A 677 -0.921 -8.312 -16.656 1.00 0.00 C ATOM 7 OD1 ASN A 677 -1.601 -9.176 -16.102 1.00 0.00 O ATOM 8 ND2 ASN A 677 -1.255 -7.877 -17.841 1.00 0.00 N ATOM 0 HA ASN A 677 -0.019 -9.036 -14.281 1.00 0.00 H new ATOM 0 HB2 ASN A 677 0.389 -6.673 -16.164 1.00 0.00 H new ATOM 0 HB3 ASN A 677 1.213 -8.206 -16.370 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -2.080 -8.253 -18.308 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -0.691 -7.161 -18.299 1.00 0.00 H new ATOM 17 N TRP A 678 1.954 -6.406 -13.827 1.00 0.00 N ATOM 18 CA TRP A 678 3.223 -5.990 -13.243 1.00 0.00 C ATOM 19 C TRP A 678 3.253 -6.299 -11.750 1.00 0.00 C ATOM 20 O TRP A 678 4.301 -6.627 -11.194 1.00 0.00 O ATOM 21 CB TRP A 678 3.430 -4.490 -13.459 1.00 0.00 C ATOM 22 CG TRP A 678 3.714 -4.230 -14.904 1.00 0.00 C ATOM 23 CD1 TRP A 678 4.949 -4.126 -15.446 1.00 0.00 C ATOM 24 CD2 TRP A 678 2.770 -4.040 -15.998 1.00 0.00 C ATOM 25 NE1 TRP A 678 4.824 -3.884 -16.802 1.00 0.00 N ATOM 26 CE2 TRP A 678 3.500 -3.823 -17.190 1.00 0.00 C ATOM 27 CE3 TRP A 678 1.365 -4.035 -16.069 1.00 0.00 C ATOM 28 CZ2 TRP A 678 2.859 -3.607 -18.411 1.00 0.00 C ATOM 29 CZ3 TRP A 678 0.716 -3.819 -17.297 1.00 0.00 C ATOM 30 CH2 TRP A 678 1.462 -3.605 -18.465 1.00 0.00 C ATOM 0 H TRP A 678 1.408 -5.650 -14.241 1.00 0.00 H new ATOM 0 HA TRP A 678 4.025 -6.542 -13.733 1.00 0.00 H new ATOM 0 HB2 TRP A 678 2.542 -3.941 -13.147 1.00 0.00 H new ATOM 0 HB3 TRP A 678 4.257 -4.134 -12.845 1.00 0.00 H new ATOM 0 HD1 TRP A 678 5.881 -4.217 -14.908 1.00 0.00 H new ATOM 0 HE1 TRP A 678 5.613 -3.765 -17.438 1.00 0.00 H new ATOM 0 HE3 TRP A 678 0.782 -4.198 -15.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 3.438 -3.443 -19.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 -0.363 -3.818 -17.341 1.00 0.00 H new ATOM 0 HH2 TRP A 678 0.958 -3.439 -19.405 1.00 0.00 H new ATOM 41 N LEU A 679 2.096 -6.193 -11.106 1.00 0.00 N ATOM 42 CA LEU A 679 2.000 -6.464 -9.676 1.00 0.00 C ATOM 43 C LEU A 679 2.136 -7.958 -9.404 1.00 0.00 C ATOM 44 O LEU A 679 2.809 -8.369 -8.459 1.00 0.00 O ATOM 45 CB LEU A 679 0.656 -5.966 -9.140 1.00 0.00 C ATOM 46 CG LEU A 679 0.615 -4.436 -9.179 1.00 0.00 C ATOM 47 CD1 LEU A 679 -0.806 -3.957 -8.874 1.00 0.00 C ATOM 48 CD2 LEU A 679 1.578 -3.866 -8.131 1.00 0.00 C ATOM 0 H LEU A 679 1.217 -5.923 -11.547 1.00 0.00 H new ATOM 0 HA LEU A 679 2.810 -5.939 -9.170 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.158 -6.376 -9.738 1.00 0.00 H new ATOM 0 HB3 LEU A 679 0.509 -6.317 -8.118 1.00 0.00 H new ATOM 0 HG LEU A 679 0.913 -4.093 -10.170 1.00 0.00 H new ATOM 0 HD11 LEU A 679 -0.837 -2.868 -8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 679 -1.493 -4.358 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 679 -1.102 -4.303 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 679 1.546 -2.777 -8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 679 1.282 -4.210 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 679 2.591 -4.205 -8.345 1.00 0.00 H new ATOM 60 N TRP A 680 1.493 -8.768 -10.240 1.00 0.00 N ATOM 61 CA TRP A 680 1.548 -10.216 -10.080 1.00 0.00 C ATOM 62 C TRP A 680 2.993 -10.702 -10.094 1.00 0.00 C ATOM 63 O TRP A 680 3.391 -11.521 -9.265 1.00 0.00 O ATOM 64 CB TRP A 680 0.774 -10.898 -11.211 1.00 0.00 C ATOM 65 CG TRP A 680 -0.700 -10.739 -10.993 1.00 0.00 C ATOM 66 CD1 TRP A 680 -1.273 -9.945 -10.058 1.00 0.00 C ATOM 67 CD2 TRP A 680 -1.795 -11.379 -11.710 1.00 0.00 C ATOM 68 NE1 TRP A 680 -2.647 -10.057 -10.157 1.00 0.00 N ATOM 69 CE2 TRP A 680 -3.018 -10.930 -11.160 1.00 0.00 C ATOM 70 CE3 TRP A 680 -1.844 -12.298 -12.774 1.00 0.00 C ATOM 71 CZ2 TRP A 680 -4.246 -11.375 -11.648 1.00 0.00 C ATOM 72 CZ3 TRP A 680 -3.079 -12.749 -13.268 1.00 0.00 C ATOM 73 CH2 TRP A 680 -4.278 -12.288 -12.706 1.00 0.00 C ATOM 0 H TRP A 680 0.932 -8.449 -11.030 1.00 0.00 H new ATOM 0 HA TRP A 680 1.096 -10.472 -9.122 1.00 0.00 H new ATOM 0 HB2 TRP A 680 1.057 -10.463 -12.170 1.00 0.00 H new ATOM 0 HB3 TRP A 680 1.032 -11.956 -11.252 1.00 0.00 H new ATOM 0 HD1 TRP A 680 -0.743 -9.325 -9.350 1.00 0.00 H new ATOM 0 HE1 TRP A 680 -3.306 -9.556 -9.562 1.00 0.00 H new ATOM 0 HE3 TRP A 680 -0.926 -12.659 -13.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 -5.166 -11.017 -11.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 -3.105 -13.455 -14.085 1.00 0.00 H new ATOM 0 HH2 TRP A 680 -5.225 -12.638 -13.090 1.00 0.00 H new ATOM 84 N TYR A 681 3.774 -10.191 -11.039 1.00 0.00 N ATOM 85 CA TYR A 681 5.176 -10.580 -11.153 1.00 0.00 C ATOM 86 C TYR A 681 5.979 -10.047 -9.969 1.00 0.00 C ATOM 87 O TYR A 681 6.930 -10.683 -9.515 1.00 0.00 O ATOM 88 CB TYR A 681 5.764 -10.038 -12.456 1.00 0.00 C ATOM 89 CG TYR A 681 7.153 -10.596 -12.652 1.00 0.00 C ATOM 90 CD1 TYR A 681 7.323 -11.880 -13.184 1.00 0.00 C ATOM 91 CD2 TYR A 681 8.271 -9.829 -12.303 1.00 0.00 C ATOM 92 CE1 TYR A 681 8.611 -12.397 -13.367 1.00 0.00 C ATOM 93 CE2 TYR A 681 9.559 -10.346 -12.485 1.00 0.00 C ATOM 94 CZ TYR A 681 9.729 -11.629 -13.018 1.00 0.00 C ATOM 95 OH TYR A 681 10.999 -12.139 -13.199 1.00 0.00 O ATOM 0 H TYR A 681 3.464 -9.511 -11.733 1.00 0.00 H new ATOM 0 HA TYR A 681 5.232 -11.669 -11.155 1.00 0.00 H new ATOM 0 HB2 TYR A 681 5.128 -10.314 -13.297 1.00 0.00 H new ATOM 0 HB3 TYR A 681 5.799 -8.949 -12.426 1.00 0.00 H new ATOM 0 HD1 TYR A 681 6.460 -12.472 -13.453 1.00 0.00 H new ATOM 0 HD2 TYR A 681 8.140 -8.838 -11.893 1.00 0.00 H new ATOM 0 HE1 TYR A 681 8.742 -13.387 -13.777 1.00 0.00 H new ATOM 0 HE2 TYR A 681 10.421 -9.755 -12.214 1.00 0.00 H new ATOM 0 HH TYR A 681 11.661 -11.478 -12.907 1.00 0.00 H new ATOM 105 N ILE A 682 5.590 -8.877 -9.472 1.00 0.00 N ATOM 106 CA ILE A 682 6.283 -8.270 -8.342 1.00 0.00 C ATOM 107 C ILE A 682 6.121 -9.131 -7.093 1.00 0.00 C ATOM 108 O ILE A 682 7.068 -9.317 -6.328 1.00 0.00 O ATOM 109 CB ILE A 682 5.794 -6.845 -8.081 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.329 -5.920 -9.177 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.303 -6.370 -6.719 1.00 0.00 C ATOM 112 CD1 ILE A 682 5.556 -4.601 -9.162 1.00 0.00 C ATOM 0 H ILE A 682 4.805 -8.334 -9.831 1.00 0.00 H new ATOM 0 HA ILE A 682 7.342 -8.213 -8.594 1.00 0.00 H new ATOM 0 HB ILE A 682 4.704 -6.826 -8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 682 7.391 -5.732 -9.021 1.00 0.00 H new ATOM 0 HG13 ILE A 682 6.230 -6.399 -10.151 1.00 0.00 H new ATOM 0 HG21 ILE A 682 5.954 -5.354 -6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 682 5.926 -7.031 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.393 -6.386 -6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 682 5.940 -3.945 -9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 682 4.499 -4.797 -9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 682 5.678 -4.119 -8.192 1.00 0.00 H new ATOM 124 N ARG A 683 4.917 -9.655 -6.894 1.00 0.00 N ATOM 125 CA ARG A 683 4.643 -10.496 -5.736 1.00 0.00 C ATOM 126 C ARG A 683 5.464 -11.781 -5.801 1.00 0.00 C ATOM 127 O ARG A 683 6.060 -12.198 -4.807 1.00 0.00 O ATOM 128 CB ARG A 683 3.154 -10.842 -5.681 1.00 0.00 C ATOM 129 CG ARG A 683 2.875 -11.703 -4.447 1.00 0.00 C ATOM 130 CD ARG A 683 1.379 -12.009 -4.365 1.00 0.00 C ATOM 131 NE ARG A 683 1.099 -12.852 -3.205 1.00 0.00 N ATOM 132 CZ ARG A 683 -0.139 -13.255 -2.914 1.00 0.00 C ATOM 133 NH1 ARG A 683 -1.153 -12.907 -3.666 1.00 0.00 N ATOM 134 NH2 ARG A 683 -0.341 -14.008 -1.867 1.00 0.00 N ATOM 0 H ARG A 683 4.120 -9.514 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 683 4.921 -9.945 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.559 -9.930 -5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 683 2.860 -11.377 -6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 683 3.444 -12.631 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 683 3.200 -11.182 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 683 0.814 -11.080 -4.293 1.00 0.00 H new ATOM 0 HD3 ARG A 683 1.053 -12.511 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 683 1.870 -13.140 -2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 683 -1.002 -12.320 -4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -2.094 -13.223 -3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 683 0.445 -14.284 -1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -1.285 -14.320 -1.638 1.00 0.00 H new ATOM 148 N ILE A 684 5.490 -12.403 -6.974 1.00 0.00 N ATOM 149 CA ILE A 684 6.239 -13.640 -7.154 1.00 0.00 C ATOM 150 C ILE A 684 7.711 -13.432 -6.807 1.00 0.00 C ATOM 151 O ILE A 684 8.306 -14.231 -6.082 1.00 0.00 O ATOM 152 CB ILE A 684 6.124 -14.112 -8.607 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.677 -14.538 -8.926 1.00 0.00 C ATOM 154 CG2 ILE A 684 7.073 -15.290 -8.837 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.281 -15.807 -8.154 1.00 0.00 C ATOM 0 H ILE A 684 5.005 -12.074 -7.809 1.00 0.00 H new ATOM 0 HA ILE A 684 5.821 -14.395 -6.488 1.00 0.00 H new ATOM 0 HB ILE A 684 6.396 -13.288 -9.267 1.00 0.00 H new ATOM 0 HG12 ILE A 684 3.994 -13.728 -8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 684 4.576 -14.716 -9.997 1.00 0.00 H new ATOM 0 HG21 ILE A 684 6.992 -15.626 -9.871 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.098 -14.976 -8.637 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.807 -16.108 -8.167 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.255 -16.079 -8.403 1.00 0.00 H new ATOM 0 HD12 ILE A 684 4.949 -16.623 -8.428 1.00 0.00 H new ATOM 0 HD13 ILE A 684 4.357 -15.620 -7.083 1.00 0.00 H new ATOM 167 N PHE A 685 8.290 -12.357 -7.327 1.00 0.00 N ATOM 168 CA PHE A 685 9.692 -12.057 -7.065 1.00 0.00 C ATOM 169 C PHE A 685 9.928 -11.872 -5.570 1.00 0.00 C ATOM 170 O PHE A 685 10.921 -12.354 -5.024 1.00 0.00 O ATOM 171 CB PHE A 685 10.103 -10.786 -7.810 1.00 0.00 C ATOM 172 CG PHE A 685 11.555 -10.482 -7.525 1.00 0.00 C ATOM 173 CD1 PHE A 685 11.894 -9.500 -6.588 1.00 0.00 C ATOM 174 CD2 PHE A 685 12.562 -11.184 -8.200 1.00 0.00 C ATOM 175 CE1 PHE A 685 13.240 -9.219 -6.324 1.00 0.00 C ATOM 176 CE2 PHE A 685 13.907 -10.903 -7.937 1.00 0.00 C ATOM 177 CZ PHE A 685 14.247 -9.920 -6.999 1.00 0.00 C ATOM 0 H PHE A 685 7.815 -11.683 -7.928 1.00 0.00 H new ATOM 0 HA PHE A 685 10.296 -12.894 -7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.951 -10.915 -8.882 1.00 0.00 H new ATOM 0 HB3 PHE A 685 9.477 -9.950 -7.497 1.00 0.00 H new ATOM 0 HD1 PHE A 685 11.117 -8.959 -6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 685 12.300 -11.942 -8.923 1.00 0.00 H new ATOM 0 HE1 PHE A 685 13.502 -8.462 -5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 685 14.683 -11.444 -8.457 1.00 0.00 H new ATOM 0 HZ PHE A 685 15.285 -9.703 -6.796 1.00 0.00 H new ATOM 187 N ILE A 686 9.009 -11.172 -4.913 1.00 0.00 N ATOM 188 CA ILE A 686 9.128 -10.934 -3.479 1.00 0.00 C ATOM 189 C ILE A 686 9.140 -12.256 -2.718 1.00 0.00 C ATOM 190 O ILE A 686 9.963 -12.462 -1.824 1.00 0.00 O ATOM 191 CB ILE A 686 7.970 -10.062 -2.987 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.140 -8.640 -3.526 1.00 0.00 C ATOM 193 CG2 ILE A 686 7.969 -10.031 -1.458 1.00 0.00 C ATOM 194 CD1 ILE A 686 6.844 -7.855 -3.317 1.00 0.00 C ATOM 0 H ILE A 686 8.181 -10.763 -5.346 1.00 0.00 H new ATOM 0 HA ILE A 686 10.068 -10.413 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 686 7.026 -10.476 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 686 8.965 -8.143 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 686 8.393 -8.670 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.145 -9.410 -1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.850 -11.044 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 686 8.912 -9.617 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 686 6.966 -6.842 -3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 686 6.030 -8.349 -3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 686 6.611 -7.814 -2.253 1.00 0.00 H new ATOM 206 N ILE A 687 8.223 -13.148 -3.079 1.00 0.00 N ATOM 207 CA ILE A 687 8.135 -14.448 -2.424 1.00 0.00 C ATOM 208 C ILE A 687 9.448 -15.211 -2.573 1.00 0.00 C ATOM 209 O ILE A 687 9.952 -15.792 -1.613 1.00 0.00 O ATOM 210 CB ILE A 687 6.995 -15.265 -3.034 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.654 -14.628 -2.658 1.00 0.00 C ATOM 212 CG2 ILE A 687 7.047 -16.695 -2.496 1.00 0.00 C ATOM 213 CD1 ILE A 687 4.537 -15.267 -3.484 1.00 0.00 C ATOM 0 H ILE A 687 7.535 -12.996 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 687 7.938 -14.288 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 687 7.100 -15.281 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.459 -14.766 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 687 5.686 -13.554 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.234 -17.277 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 687 8.002 -17.149 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 687 6.942 -16.680 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 687 3.582 -14.814 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 687 4.731 -15.106 -4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 687 4.500 -16.337 -3.280 1.00 0.00 H new ATOM 225 N ILE A 688 9.997 -15.203 -3.784 1.00 0.00 N ATOM 226 CA ILE A 688 11.253 -15.895 -4.049 1.00 0.00 C ATOM 227 C ILE A 688 12.362 -15.353 -3.153 1.00 0.00 C ATOM 228 O ILE A 688 13.128 -16.118 -2.567 1.00 0.00 O ATOM 229 CB ILE A 688 11.648 -15.718 -5.515 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.668 -16.489 -6.403 1.00 0.00 C ATOM 231 CG2 ILE A 688 13.064 -16.256 -5.732 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.886 -16.095 -7.865 1.00 0.00 C ATOM 0 H ILE A 688 9.595 -14.728 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 688 11.114 -16.955 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 688 11.619 -14.660 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 688 10.815 -17.562 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 688 9.642 -16.271 -6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.345 -16.130 -6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.762 -15.708 -5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 688 13.095 -17.314 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 688 10.188 -16.644 -8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 688 10.717 -15.025 -7.982 1.00 0.00 H new ATOM 0 HD13 ILE A 688 11.908 -16.336 -8.158 1.00 0.00 H new ATOM 244 N VAL A 689 12.442 -14.030 -3.052 1.00 0.00 N ATOM 245 CA VAL A 689 13.460 -13.396 -2.220 1.00 0.00 C ATOM 246 C VAL A 689 13.304 -13.822 -0.764 1.00 0.00 C ATOM 247 O VAL A 689 14.286 -14.123 -0.086 1.00 0.00 O ATOM 248 CB VAL A 689 13.346 -11.875 -2.325 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.255 -11.222 -1.284 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.772 -11.427 -3.725 1.00 0.00 C ATOM 0 H VAL A 689 11.820 -13.380 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 689 14.441 -13.712 -2.575 1.00 0.00 H new ATOM 0 HB VAL A 689 12.314 -11.575 -2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.174 -10.138 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 689 13.953 -11.540 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.288 -11.522 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.691 -10.343 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.804 -11.727 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.125 -11.892 -4.469 1.00 0.00 H new ATOM 260 N GLY A 690 12.062 -13.844 -0.287 1.00 0.00 N ATOM 261 CA GLY A 690 11.792 -14.235 1.090 1.00 0.00 C ATOM 262 C GLY A 690 12.143 -15.702 1.310 1.00 0.00 C ATOM 263 O GLY A 690 12.690 -16.072 2.349 1.00 0.00 O ATOM 0 H GLY A 690 11.234 -13.598 -0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.371 -13.611 1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.740 -14.069 1.321 1.00 0.00 H new ATOM 267 N SER A 691 11.823 -16.536 0.325 1.00 0.00 N ATOM 268 CA SER A 691 12.113 -17.963 0.421 1.00 0.00 C ATOM 269 C SER A 691 13.615 -18.197 0.542 1.00 0.00 C ATOM 270 O SER A 691 14.065 -18.992 1.369 1.00 0.00 O ATOM 271 CB SER A 691 11.580 -18.689 -0.815 1.00 0.00 C ATOM 272 OG SER A 691 10.161 -18.608 -0.831 1.00 0.00 O ATOM 0 H SER A 691 11.367 -16.252 -0.542 1.00 0.00 H new ATOM 0 HA SER A 691 11.622 -18.355 1.312 1.00 0.00 H new ATOM 0 HB2 SER A 691 11.992 -18.241 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 691 11.896 -19.732 -0.803 1.00 0.00 H new ATOM 0 HG SER A 691 9.888 -17.705 -1.096 1.00 0.00 H new ATOM 278 N LEU A 692 14.388 -17.502 -0.286 1.00 0.00 N ATOM 279 CA LEU A 692 15.838 -17.644 -0.261 1.00 0.00 C ATOM 280 C LEU A 692 16.396 -17.195 1.084 1.00 0.00 C ATOM 281 O LEU A 692 17.276 -17.844 1.653 1.00 0.00 O ATOM 282 CB LEU A 692 16.464 -16.808 -1.381 1.00 0.00 C ATOM 283 CG LEU A 692 16.130 -17.427 -2.741 1.00 0.00 C ATOM 284 CD1 LEU A 692 16.540 -16.458 -3.852 1.00 0.00 C ATOM 285 CD2 LEU A 692 16.894 -18.746 -2.910 1.00 0.00 C ATOM 0 H LEU A 692 14.037 -16.840 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 692 16.085 -18.695 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 692 16.090 -15.785 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 692 17.545 -16.759 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 692 15.059 -17.620 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 692 16.304 -16.896 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 692 15.997 -15.520 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 692 17.611 -16.267 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 692 16.654 -19.184 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 692 17.966 -18.556 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 692 16.606 -19.437 -2.118 1.00 0.00 H new ATOM 297 N ILE A 693 15.880 -16.079 1.591 1.00 0.00 N ATOM 298 CA ILE A 693 16.335 -15.548 2.870 1.00 0.00 C ATOM 299 C ILE A 693 16.030 -16.530 3.997 1.00 0.00 C ATOM 300 O ILE A 693 16.854 -16.746 4.886 1.00 0.00 O ATOM 301 CB ILE A 693 15.648 -14.208 3.158 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.145 -13.127 2.180 1.00 0.00 C ATOM 303 CG2 ILE A 693 15.953 -13.781 4.595 1.00 0.00 C ATOM 304 CD1 ILE A 693 17.585 -12.707 2.509 1.00 0.00 C ATOM 0 H ILE A 693 15.151 -15.528 1.138 1.00 0.00 H new ATOM 0 HA ILE A 693 17.413 -15.398 2.815 1.00 0.00 H new ATOM 0 HB ILE A 693 14.572 -14.327 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 693 16.097 -13.506 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 693 15.489 -12.258 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.466 -12.828 4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.581 -14.537 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 693 17.030 -13.673 4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 693 17.911 -11.943 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 693 17.625 -12.306 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 693 18.242 -13.573 2.435 1.00 0.00 H new ATOM 316 N GLY A 694 14.842 -17.124 3.955 1.00 0.00 N ATOM 317 CA GLY A 694 14.438 -18.081 4.977 1.00 0.00 C ATOM 318 C GLY A 694 15.369 -19.293 4.974 1.00 0.00 C ATOM 319 O GLY A 694 15.854 -19.715 6.022 1.00 0.00 O ATOM 0 H GLY A 694 14.146 -16.960 3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.455 -17.604 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.412 -18.403 4.797 1.00 0.00 H new ATOM 323 N LEU A 695 15.609 -19.845 3.789 1.00 0.00 N ATOM 324 CA LEU A 695 16.482 -21.008 3.665 1.00 0.00 C ATOM 325 C LEU A 695 17.843 -20.723 4.290 1.00 0.00 C ATOM 326 O LEU A 695 18.369 -21.534 5.053 1.00 0.00 O ATOM 327 CB LEU A 695 16.655 -21.375 2.187 1.00 0.00 C ATOM 328 CG LEU A 695 17.606 -22.569 2.047 1.00 0.00 C ATOM 329 CD1 LEU A 695 17.019 -23.787 2.764 1.00 0.00 C ATOM 330 CD2 LEU A 695 17.787 -22.897 0.562 1.00 0.00 C ATOM 0 H LEU A 695 15.216 -19.511 2.909 1.00 0.00 H new ATOM 0 HA LEU A 695 16.024 -21.845 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 695 15.687 -21.618 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.048 -20.521 1.636 1.00 0.00 H new ATOM 0 HG LEU A 695 18.569 -22.318 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 695 17.699 -24.633 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 695 16.883 -23.557 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 695 16.056 -24.040 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 695 18.463 -23.746 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 695 16.820 -23.146 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 695 18.207 -22.033 0.047 1.00 0.00 H new ATOM 342 N ARG A 696 18.408 -19.564 3.962 1.00 0.00 N ATOM 343 CA ARG A 696 19.709 -19.182 4.497 1.00 0.00 C ATOM 344 C ARG A 696 19.666 -19.114 6.019 1.00 0.00 C ATOM 345 O ARG A 696 20.551 -19.635 6.699 1.00 0.00 O ATOM 346 CB ARG A 696 20.125 -17.822 3.925 1.00 0.00 C ATOM 347 CG ARG A 696 21.463 -17.369 4.528 1.00 0.00 C ATOM 348 CD ARG A 696 22.573 -18.353 4.145 1.00 0.00 C ATOM 349 NE ARG A 696 23.859 -17.883 4.653 1.00 0.00 N ATOM 350 CZ ARG A 696 24.580 -16.964 4.007 1.00 0.00 C ATOM 351 NH1 ARG A 696 24.153 -16.439 2.887 1.00 0.00 N ATOM 352 NH2 ARG A 696 25.728 -16.583 4.499 1.00 0.00 N ATOM 0 H ARG A 696 17.988 -18.879 3.333 1.00 0.00 H new ATOM 0 HA ARG A 696 20.440 -19.936 4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 696 20.213 -17.889 2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 696 19.355 -17.081 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 696 21.712 -16.370 4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 696 21.379 -17.307 5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 696 22.351 -19.340 4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 696 22.618 -18.458 3.061 1.00 0.00 H new ATOM 0 HE ARG A 696 24.217 -18.268 5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 696 23.257 -16.731 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 696 24.716 -15.738 2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 696 26.068 -16.987 5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 696 26.284 -15.881 4.011 1.00 0.00 H new ATOM 366 N ILE A 697 18.634 -18.466 6.551 1.00 0.00 N ATOM 367 CA ILE A 697 18.489 -18.336 7.997 1.00 0.00 C ATOM 368 C ILE A 697 18.461 -19.709 8.659 1.00 0.00 C ATOM 369 O ILE A 697 19.130 -19.938 9.667 1.00 0.00 O ATOM 370 CB ILE A 697 17.204 -17.577 8.330 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.354 -16.114 7.907 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.944 -17.646 9.835 1.00 0.00 C ATOM 373 CD1 ILE A 697 15.990 -15.423 7.964 1.00 0.00 C ATOM 0 H ILE A 697 17.891 -18.026 6.008 1.00 0.00 H new ATOM 0 HA ILE A 697 19.345 -17.780 8.379 1.00 0.00 H new ATOM 0 HB ILE A 697 16.368 -18.028 7.796 1.00 0.00 H new ATOM 0 HG12 ILE A 697 18.059 -15.605 8.564 1.00 0.00 H new ATOM 0 HG13 ILE A 697 17.761 -16.056 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 697 16.028 -17.105 10.071 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.839 -18.688 10.139 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.780 -17.195 10.370 1.00 0.00 H new ATOM 0 HD11 ILE A 697 16.097 -14.381 7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 697 15.298 -15.927 7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 697 15.601 -15.468 8.981 1.00 0.00 H new ATOM 385 N VAL A 698 17.680 -20.619 8.088 1.00 0.00 N ATOM 386 CA VAL A 698 17.571 -21.969 8.631 1.00 0.00 C ATOM 387 C VAL A 698 18.943 -22.631 8.694 1.00 0.00 C ATOM 388 O VAL A 698 19.306 -23.237 9.702 1.00 0.00 O ATOM 389 CB VAL A 698 16.637 -22.808 7.760 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.711 -24.273 8.195 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.201 -22.303 7.920 1.00 0.00 C ATOM 0 H VAL A 698 17.116 -20.449 7.255 1.00 0.00 H new ATOM 0 HA VAL A 698 17.164 -21.904 9.640 1.00 0.00 H new ATOM 0 HB VAL A 698 16.940 -22.723 6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 698 16.045 -24.871 7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.733 -24.635 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.408 -24.358 9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.534 -22.901 7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.899 -22.389 8.964 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.146 -21.259 7.611 1.00 0.00 H new ATOM 401 N PHE A 699 19.700 -22.508 7.610 1.00 0.00 N ATOM 402 CA PHE A 699 21.031 -23.098 7.548 1.00 0.00 C ATOM 403 C PHE A 699 21.931 -22.496 8.622 1.00 0.00 C ATOM 404 O PHE A 699 22.698 -23.207 9.273 1.00 0.00 O ATOM 405 CB PHE A 699 21.648 -22.853 6.168 1.00 0.00 C ATOM 406 CG PHE A 699 23.021 -23.478 6.111 1.00 0.00 C ATOM 407 CD1 PHE A 699 24.161 -22.680 6.266 1.00 0.00 C ATOM 408 CD2 PHE A 699 23.154 -24.856 5.902 1.00 0.00 C ATOM 409 CE1 PHE A 699 25.433 -23.261 6.212 1.00 0.00 C ATOM 410 CE2 PHE A 699 24.427 -25.436 5.849 1.00 0.00 C ATOM 411 CZ PHE A 699 25.567 -24.638 6.003 1.00 0.00 C ATOM 0 H PHE A 699 19.417 -22.008 6.767 1.00 0.00 H new ATOM 0 HA PHE A 699 20.942 -24.171 7.721 1.00 0.00 H new ATOM 0 HB2 PHE A 699 21.011 -23.278 5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 699 21.716 -21.783 5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 699 24.059 -21.617 6.427 1.00 0.00 H new ATOM 0 HD2 PHE A 699 22.275 -25.471 5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 699 26.312 -22.646 6.332 1.00 0.00 H new ATOM 0 HE2 PHE A 699 24.530 -26.499 5.689 1.00 0.00 H new ATOM 0 HZ PHE A 699 26.549 -25.085 5.961 1.00 0.00 H new ATOM 421 N ALA A 700 21.830 -21.183 8.803 1.00 0.00 N ATOM 422 CA ALA A 700 22.637 -20.497 9.805 1.00 0.00 C ATOM 423 C ALA A 700 22.307 -21.011 11.202 1.00 0.00 C ATOM 424 O ALA A 700 23.201 -21.247 12.015 1.00 0.00 O ATOM 425 CB ALA A 700 22.379 -18.990 9.741 1.00 0.00 C ATOM 0 H ALA A 700 21.203 -20.577 8.274 1.00 0.00 H new ATOM 0 HA ALA A 700 23.688 -20.695 9.595 1.00 0.00 H new ATOM 0 HB1 ALA A 700 22.986 -18.485 10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.643 -18.617 8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.324 -18.793 9.933 1.00 0.00 H new ATOM 431 N VAL A 701 21.018 -21.185 11.473 1.00 0.00 N ATOM 432 CA VAL A 701 20.581 -21.674 12.774 1.00 0.00 C ATOM 433 C VAL A 701 21.157 -23.060 13.044 1.00 0.00 C ATOM 434 O VAL A 701 21.635 -23.342 14.142 1.00 0.00 O ATOM 435 CB VAL A 701 19.053 -21.737 12.823 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.611 -22.462 14.095 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.486 -20.315 12.823 1.00 0.00 C ATOM 0 H VAL A 701 20.263 -20.996 10.814 1.00 0.00 H new ATOM 0 HA VAL A 701 20.940 -20.986 13.540 1.00 0.00 H new ATOM 0 HB VAL A 701 18.683 -22.277 11.952 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.522 -22.506 14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.016 -23.474 14.096 1.00 0.00 H new ATOM 0 HG13 VAL A 701 18.980 -21.923 14.968 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.397 -20.357 12.858 1.00 0.00 H new ATOM 0 HG22 VAL A 701 18.856 -19.776 13.695 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.800 -19.798 11.916 1.00 0.00 H new ATOM 447 N LEU A 702 21.110 -23.920 12.031 1.00 0.00 N ATOM 448 CA LEU A 702 21.631 -25.276 12.167 1.00 0.00 C ATOM 449 C LEU A 702 23.135 -25.249 12.422 1.00 0.00 C ATOM 450 O LEU A 702 23.642 -25.982 13.272 1.00 0.00 O ATOM 451 CB LEU A 702 21.342 -26.076 10.895 1.00 0.00 C ATOM 452 CG LEU A 702 19.838 -26.346 10.781 1.00 0.00 C ATOM 453 CD1 LEU A 702 19.531 -26.919 9.397 1.00 0.00 C ATOM 454 CD2 LEU A 702 19.413 -27.355 11.854 1.00 0.00 C ATOM 0 H LEU A 702 20.720 -23.704 11.114 1.00 0.00 H new ATOM 0 HA LEU A 702 21.138 -25.751 13.015 1.00 0.00 H new ATOM 0 HB2 LEU A 702 21.689 -25.525 10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 702 21.889 -27.018 10.915 1.00 0.00 H new ATOM 0 HG LEU A 702 19.290 -25.414 10.923 1.00 0.00 H new ATOM 0 HD11 LEU A 702 18.462 -27.112 9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 702 19.832 -26.203 8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 702 20.080 -27.850 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 702 18.343 -27.545 11.771 1.00 0.00 H new ATOM 0 HD22 LEU A 702 19.960 -28.288 11.713 1.00 0.00 H new ATOM 0 HD23 LEU A 702 19.634 -26.950 12.842 1.00 0.00 H new ATOM 466 N SER A 703 23.842 -24.403 11.682 1.00 0.00 N ATOM 467 CA SER A 703 25.288 -24.292 11.838 1.00 0.00 C ATOM 468 C SER A 703 25.640 -23.851 13.254 1.00 0.00 C ATOM 469 O SER A 703 26.578 -24.368 13.861 1.00 0.00 O ATOM 470 CB SER A 703 25.845 -23.284 10.835 1.00 0.00 C ATOM 471 OG SER A 703 27.254 -23.185 11.003 1.00 0.00 O ATOM 0 H SER A 703 23.442 -23.788 10.973 1.00 0.00 H new ATOM 0 HA SER A 703 25.731 -25.270 11.653 1.00 0.00 H new ATOM 0 HB2 SER A 703 25.609 -23.597 9.818 1.00 0.00 H new ATOM 0 HB3 SER A 703 25.380 -22.310 10.984 1.00 0.00 H new ATOM 0 HG SER A 703 27.616 -22.540 10.360 1.00 0.00 H new ATOM 477 N LEU A 704 24.882 -22.891 13.775 1.00 0.00 N ATOM 478 CA LEU A 704 25.121 -22.384 15.121 1.00 0.00 C ATOM 479 C LEU A 704 24.888 -23.478 16.160 1.00 0.00 C ATOM 480 O LEU A 704 25.660 -23.622 17.107 1.00 0.00 O ATOM 481 CB LEU A 704 24.192 -21.201 15.404 1.00 0.00 C ATOM 482 CG LEU A 704 24.475 -20.650 16.804 1.00 0.00 C ATOM 483 CD1 LEU A 704 24.394 -19.122 16.776 1.00 0.00 C ATOM 484 CD2 LEU A 704 23.435 -21.194 17.786 1.00 0.00 C ATOM 0 H LEU A 704 24.101 -22.451 13.288 1.00 0.00 H new ATOM 0 HA LEU A 704 26.159 -22.057 15.186 1.00 0.00 H new ATOM 0 HB2 LEU A 704 24.342 -20.421 14.658 1.00 0.00 H new ATOM 0 HB3 LEU A 704 23.151 -21.517 15.330 1.00 0.00 H new ATOM 0 HG LEU A 704 25.472 -20.958 17.120 1.00 0.00 H new ATOM 0 HD11 LEU A 704 24.595 -18.729 17.772 1.00 0.00 H new ATOM 0 HD12 LEU A 704 25.132 -18.731 16.076 1.00 0.00 H new ATOM 0 HD13 LEU A 704 23.397 -18.816 16.460 1.00 0.00 H new ATOM 0 HD21 LEU A 704 23.636 -20.802 18.783 1.00 0.00 H new ATOM 0 HD22 LEU A 704 22.439 -20.886 17.469 1.00 0.00 H new ATOM 0 HD23 LEU A 704 23.488 -22.282 17.807 1.00 0.00 H new ATOM 496 N VAL A 705 23.820 -24.245 15.975 1.00 0.00 N ATOM 497 CA VAL A 705 23.497 -25.323 16.904 1.00 0.00 C ATOM 498 C VAL A 705 24.600 -26.377 16.905 1.00 0.00 C ATOM 499 O VAL A 705 25.006 -26.863 17.962 1.00 0.00 O ATOM 500 CB VAL A 705 22.170 -25.972 16.508 1.00 0.00 C ATOM 501 CG1 VAL A 705 21.950 -27.235 17.342 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.027 -24.988 16.763 1.00 0.00 C ATOM 0 H VAL A 705 23.168 -24.143 15.198 1.00 0.00 H new ATOM 0 HA VAL A 705 23.411 -24.902 17.906 1.00 0.00 H new ATOM 0 HB VAL A 705 22.195 -26.235 15.451 1.00 0.00 H new ATOM 0 HG11 VAL A 705 21.004 -27.697 17.060 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.765 -27.936 17.162 1.00 0.00 H new ATOM 0 HG13 VAL A 705 21.924 -26.973 18.400 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.080 -25.449 16.481 1.00 0.00 H new ATOM 0 HG22 VAL A 705 21.002 -24.725 17.821 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.183 -24.087 16.169 1.00 0.00 H new ATOM 512 N ASN A 706 25.084 -26.725 15.717 1.00 0.00 N ATOM 513 CA ASN A 706 26.140 -27.722 15.596 1.00 0.00 C ATOM 514 C ASN A 706 27.387 -27.272 16.348 1.00 0.00 C ATOM 515 O ASN A 706 28.022 -28.062 17.046 1.00 0.00 O ATOM 516 CB ASN A 706 26.482 -27.944 14.122 1.00 0.00 C ATOM 517 CG ASN A 706 25.347 -28.690 13.430 1.00 0.00 C ATOM 518 OD1 ASN A 706 24.537 -29.341 14.090 1.00 0.00 O ATOM 519 ND2 ASN A 706 25.240 -28.637 12.131 1.00 0.00 N ATOM 0 H ASN A 706 24.764 -26.334 14.831 1.00 0.00 H new ATOM 0 HA ASN A 706 25.785 -28.657 16.030 1.00 0.00 H new ATOM 0 HB2 ASN A 706 26.651 -26.986 13.631 1.00 0.00 H new ATOM 0 HB3 ASN A 706 27.408 -28.513 14.037 1.00 0.00 H new ATOM 0 HD21 ASN A 706 24.484 -29.135 11.661 1.00 0.00 H new ATOM 0 HD22 ASN A 706 25.912 -28.097 11.586 1.00 0.00 H new ATOM 526 N ARG A 707 27.735 -25.998 16.198 1.00 0.00 N ATOM 527 CA ARG A 707 28.910 -25.454 16.865 1.00 0.00 C ATOM 528 C ARG A 707 28.755 -25.529 18.380 1.00 0.00 C ATOM 529 O ARG A 707 29.672 -25.941 19.090 1.00 0.00 O ATOM 530 CB ARG A 707 29.119 -23.998 16.443 1.00 0.00 C ATOM 531 CG ARG A 707 30.369 -23.441 17.130 1.00 0.00 C ATOM 532 CD ARG A 707 30.654 -22.033 16.606 1.00 0.00 C ATOM 533 NE ARG A 707 29.557 -21.134 16.949 1.00 0.00 N ATOM 534 CZ ARG A 707 29.483 -19.894 16.459 1.00 0.00 C ATOM 535 NH1 ARG A 707 30.402 -19.439 15.646 1.00 0.00 N ATOM 536 NH2 ARG A 707 28.482 -19.128 16.795 1.00 0.00 N ATOM 0 H ARG A 707 27.223 -25.328 15.624 1.00 0.00 H new ATOM 0 HA ARG A 707 29.776 -26.048 16.573 1.00 0.00 H new ATOM 0 HB2 ARG A 707 29.227 -23.934 15.360 1.00 0.00 H new ATOM 0 HB3 ARG A 707 28.247 -23.402 16.712 1.00 0.00 H new ATOM 0 HG2 ARG A 707 30.223 -23.416 18.210 1.00 0.00 H new ATOM 0 HG3 ARG A 707 31.222 -24.091 16.939 1.00 0.00 H new ATOM 0 HD2 ARG A 707 31.585 -21.660 17.032 1.00 0.00 H new ATOM 0 HD3 ARG A 707 30.787 -22.060 15.524 1.00 0.00 H new ATOM 0 HE ARG A 707 28.826 -21.462 17.581 1.00 0.00 H new ATOM 0 HH11 ARG A 707 31.187 -20.034 15.379 1.00 0.00 H new ATOM 0 HH12 ARG A 707 30.333 -18.490 15.279 1.00 0.00 H new ATOM 0 HH21 ARG A 707 27.763 -19.477 17.428 1.00 0.00 H new ATOM 0 HH22 ARG A 707 28.419 -18.180 16.425 1.00 0.00 H new ATOM 550 N VAL A 708 27.585 -25.128 18.870 1.00 0.00 N ATOM 551 CA VAL A 708 27.318 -25.156 20.303 1.00 0.00 C ATOM 552 C VAL A 708 27.407 -26.582 20.837 1.00 0.00 C ATOM 553 O VAL A 708 27.961 -26.820 21.910 1.00 0.00 O ATOM 554 CB VAL A 708 25.927 -24.590 20.586 1.00 0.00 C ATOM 555 CG1 VAL A 708 25.565 -24.831 22.053 1.00 0.00 C ATOM 556 CG2 VAL A 708 25.922 -23.086 20.301 1.00 0.00 C ATOM 0 H VAL A 708 26.813 -24.783 18.300 1.00 0.00 H new ATOM 0 HA VAL A 708 28.068 -24.545 20.805 1.00 0.00 H new ATOM 0 HB VAL A 708 25.197 -25.085 19.946 1.00 0.00 H new ATOM 0 HG11 VAL A 708 24.573 -24.427 22.254 1.00 0.00 H new ATOM 0 HG12 VAL A 708 25.569 -25.902 22.258 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.295 -24.336 22.694 1.00 0.00 H new ATOM 0 HG21 VAL A 708 24.930 -22.681 20.502 1.00 0.00 H new ATOM 0 HG22 VAL A 708 26.653 -22.592 20.941 1.00 0.00 H new ATOM 0 HG23 VAL A 708 26.179 -22.913 19.256 1.00 0.00 H new ATOM 566 N ARG A 709 26.858 -27.526 20.079 1.00 0.00 N ATOM 567 CA ARG A 709 26.884 -28.926 20.485 1.00 0.00 C ATOM 568 C ARG A 709 28.303 -29.480 20.415 1.00 0.00 C ATOM 569 O ARG A 709 28.681 -30.348 21.203 1.00 0.00 O ATOM 570 CB ARG A 709 25.969 -29.751 19.578 1.00 0.00 C ATOM 571 CG ARG A 709 24.510 -29.378 19.850 1.00 0.00 C ATOM 572 CD ARG A 709 23.606 -30.094 18.844 1.00 0.00 C ATOM 573 NE ARG A 709 23.710 -31.539 19.011 1.00 0.00 N ATOM 574 CZ ARG A 709 23.155 -32.388 18.143 1.00 0.00 C ATOM 575 NH1 ARG A 709 22.495 -31.945 17.102 1.00 0.00 N ATOM 576 NH2 ARG A 709 23.271 -33.674 18.334 1.00 0.00 N ATOM 0 H ARG A 709 26.394 -27.349 19.188 1.00 0.00 H new ATOM 0 HA ARG A 709 26.531 -28.991 21.514 1.00 0.00 H new ATOM 0 HB2 ARG A 709 26.214 -29.566 18.532 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.123 -30.815 19.759 1.00 0.00 H new ATOM 0 HG2 ARG A 709 24.235 -29.659 20.867 1.00 0.00 H new ATOM 0 HG3 ARG A 709 24.378 -28.299 19.770 1.00 0.00 H new ATOM 0 HD2 ARG A 709 22.572 -29.778 18.984 1.00 0.00 H new ATOM 0 HD3 ARG A 709 23.889 -29.817 17.829 1.00 0.00 H new ATOM 0 HE ARG A 709 24.220 -31.911 19.812 1.00 0.00 H new ATOM 0 HH11 ARG A 709 22.401 -30.941 16.947 1.00 0.00 H new ATOM 0 HH12 ARG A 709 22.075 -32.604 16.446 1.00 0.00 H new ATOM 0 HH21 ARG A 709 23.783 -34.025 19.143 1.00 0.00 H new ATOM 0 HH22 ARG A 709 22.849 -34.328 17.674 1.00 0.00 H new ATOM 590 N GLN A 710 29.085 -28.973 19.468 1.00 0.00 N ATOM 591 CA GLN A 710 30.462 -29.426 19.306 1.00 0.00 C ATOM 592 C GLN A 710 30.515 -30.948 19.223 1.00 0.00 C ATOM 593 O GLN A 710 31.270 -31.593 19.950 1.00 0.00 O ATOM 594 CB GLN A 710 31.314 -28.941 20.482 1.00 0.00 C ATOM 595 CG GLN A 710 32.799 -29.102 20.146 1.00 0.00 C ATOM 596 CD GLN A 710 33.652 -28.486 21.250 1.00 0.00 C ATOM 597 OE1 GLN A 710 33.119 -27.945 22.219 1.00 0.00 O ATOM 598 NE2 GLN A 710 34.954 -28.536 21.162 1.00 0.00 N ATOM 0 H GLN A 710 28.792 -28.254 18.806 1.00 0.00 H new ATOM 0 HA GLN A 710 30.858 -29.010 18.380 1.00 0.00 H new ATOM 0 HB2 GLN A 710 31.092 -27.896 20.698 1.00 0.00 H new ATOM 0 HB3 GLN A 710 31.071 -29.511 21.379 1.00 0.00 H new ATOM 0 HG2 GLN A 710 33.043 -30.158 20.033 1.00 0.00 H new ATOM 0 HG3 GLN A 710 33.019 -28.621 19.193 1.00 0.00 H new ATOM 0 HE21 GLN A 710 35.394 -28.985 20.359 1.00 0.00 H new ATOM 0 HE22 GLN A 710 35.531 -28.126 21.897 1.00 0.00 H new ATOM 607 N GLY A 711 29.713 -31.518 18.329 1.00 0.00 N ATOM 608 CA GLY A 711 29.685 -32.965 18.159 1.00 0.00 C ATOM 609 C GLY A 711 30.857 -33.433 17.303 1.00 0.00 C ATOM 610 O GLY A 711 31.627 -32.618 16.794 1.00 0.00 O ATOM 0 H GLY A 711 29.079 -31.005 17.716 1.00 0.00 H new ATOM 0 HA2 GLY A 711 29.724 -33.451 19.134 1.00 0.00 H new ATOM 0 HA3 GLY A 711 28.746 -33.263 17.692 1.00 0.00 H new ATOM 614 N TYR A 712 30.988 -34.747 17.148 1.00 0.00 N ATOM 615 CA TYR A 712 32.073 -35.308 16.348 1.00 0.00 C ATOM 616 C TYR A 712 31.533 -35.985 15.093 1.00 0.00 C ATOM 617 O TYR A 712 30.534 -36.703 15.142 1.00 0.00 O ATOM 618 CB TYR A 712 32.862 -36.328 17.175 1.00 0.00 C ATOM 619 CG TYR A 712 33.570 -35.628 18.310 1.00 0.00 C ATOM 620 CD1 TYR A 712 32.942 -35.496 19.553 1.00 0.00 C ATOM 621 CD2 TYR A 712 34.859 -35.115 18.118 1.00 0.00 C ATOM 622 CE1 TYR A 712 33.602 -34.850 20.606 1.00 0.00 C ATOM 623 CE2 TYR A 712 35.519 -34.469 19.171 1.00 0.00 C ATOM 624 CZ TYR A 712 34.891 -34.338 20.414 1.00 0.00 C ATOM 625 OH TYR A 712 35.541 -33.702 21.452 1.00 0.00 O ATOM 0 H TYR A 712 30.363 -35.439 17.562 1.00 0.00 H new ATOM 0 HA TYR A 712 32.729 -34.490 16.050 1.00 0.00 H new ATOM 0 HB2 TYR A 712 32.189 -37.089 17.569 1.00 0.00 H new ATOM 0 HB3 TYR A 712 33.587 -36.840 16.542 1.00 0.00 H new ATOM 0 HD1 TYR A 712 31.948 -35.892 19.701 1.00 0.00 H new ATOM 0 HD2 TYR A 712 35.344 -35.217 17.158 1.00 0.00 H new ATOM 0 HE1 TYR A 712 33.117 -34.747 21.565 1.00 0.00 H new ATOM 0 HE2 TYR A 712 36.513 -34.072 19.023 1.00 0.00 H new ATOM 0 HH TYR A 712 36.426 -33.408 21.152 1.00 0.00 H new ATOM 635 N SER A 713 32.211 -35.760 13.973 1.00 0.00 N ATOM 636 CA SER A 713 31.812 -36.357 12.700 1.00 0.00 C ATOM 637 C SER A 713 30.323 -36.151 12.420 1.00 0.00 C ATOM 638 O SER A 713 29.570 -37.117 12.287 1.00 0.00 O ATOM 639 CB SER A 713 32.123 -37.853 12.711 1.00 0.00 C ATOM 640 OG SER A 713 33.520 -38.041 12.900 1.00 0.00 O ATOM 0 H SER A 713 33.040 -35.168 13.919 1.00 0.00 H new ATOM 0 HA SER A 713 32.377 -35.862 11.910 1.00 0.00 H new ATOM 0 HB2 SER A 713 31.567 -38.346 13.508 1.00 0.00 H new ATOM 0 HB3 SER A 713 31.807 -38.309 11.773 1.00 0.00 H new ATOM 0 HG SER A 713 33.723 -39.000 12.909 1.00 0.00 H new ATOM 646 N PRO A 714 29.893 -34.921 12.317 1.00 0.00 N ATOM 647 CA PRO A 714 28.465 -34.584 12.031 1.00 0.00 C ATOM 648 C PRO A 714 28.079 -34.911 10.588 1.00 0.00 C ATOM 649 O PRO A 714 28.934 -34.951 9.703 1.00 0.00 O ATOM 650 CB PRO A 714 28.396 -33.080 12.292 1.00 0.00 C ATOM 651 CG PRO A 714 29.779 -32.582 12.038 1.00 0.00 C ATOM 652 CD PRO A 714 30.719 -33.711 12.460 1.00 0.00 C ATOM 0 HA PRO A 714 27.771 -35.159 12.644 1.00 0.00 H new ATOM 0 HB2 PRO A 714 27.675 -32.597 11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 714 28.082 -32.871 13.315 1.00 0.00 H new ATOM 0 HG2 PRO A 714 29.917 -32.333 10.986 1.00 0.00 H new ATOM 0 HG3 PRO A 714 29.978 -31.675 12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 714 31.605 -33.753 11.826 1.00 0.00 H new ATOM 0 HD3 PRO A 714 31.066 -33.581 13.485 1.00 0.00 H new ATOM 660 N LEU A 715 26.789 -35.146 10.356 1.00 0.00 N ATOM 661 CA LEU A 715 26.314 -35.471 9.013 1.00 0.00 C ATOM 662 C LEU A 715 26.581 -34.316 8.054 1.00 0.00 C ATOM 663 O LEU A 715 26.961 -34.531 6.902 1.00 0.00 O ATOM 664 CB LEU A 715 24.810 -35.769 9.043 1.00 0.00 C ATOM 665 CG LEU A 715 24.553 -37.095 9.766 1.00 0.00 C ATOM 666 CD1 LEU A 715 23.049 -37.265 9.993 1.00 0.00 C ATOM 667 CD2 LEU A 715 25.072 -38.258 8.912 1.00 0.00 C ATOM 0 H LEU A 715 26.062 -35.118 11.071 1.00 0.00 H new ATOM 0 HA LEU A 715 26.853 -36.352 8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 715 24.281 -34.961 9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 715 24.420 -35.818 8.026 1.00 0.00 H new ATOM 0 HG LEU A 715 25.072 -37.091 10.725 1.00 0.00 H new ATOM 0 HD11 LEU A 715 22.863 -38.208 10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 715 22.677 -36.440 10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 715 22.534 -37.268 9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 715 24.888 -39.200 9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 715 24.555 -38.264 7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 715 26.143 -38.138 8.747 1.00 0.00 H new ATOM 679 N SER A 716 26.381 -33.095 8.533 1.00 0.00 N ATOM 680 CA SER A 716 26.605 -31.916 7.705 1.00 0.00 C ATOM 681 C SER A 716 27.400 -30.865 8.472 1.00 0.00 C ATOM 682 O SER A 716 27.314 -30.857 9.688 1.00 0.00 O ATOM 683 CB SER A 716 25.266 -31.326 7.264 1.00 0.00 C ATOM 684 OG SER A 716 25.270 -31.150 5.853 1.00 0.00 O ATOM 685 OXT SER A 716 28.084 -30.085 7.831 1.00 0.00 O ATOM 0 H SER A 716 26.067 -32.895 9.483 1.00 0.00 H new ATOM 0 HA SER A 716 27.176 -32.216 6.826 1.00 0.00 H new ATOM 0 HB2 SER A 716 24.450 -31.987 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 716 25.096 -30.371 7.760 1.00 0.00 H new ATOM 0 HG SER A 716 24.411 -30.773 5.568 1.00 0.00 H new TER 691 SER A 716