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=-0.28) USER MOD Single : A 681 TYR OH : rot 180:sc= 0 USER MOD Single : A 691 SER OG : rot 73:sc= 0.266 USER MOD Single : A 703 SER OG : rot 180:sc= 0 USER MOD Single : A 706 ASN : amide:sc= 0.807 K(o=0.81,f=-5.6!) USER MOD Single : A 710 GLN : amide:sc= 0 X(o=0,f=0) 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 -1.665 -7.564 -13.183 1.00 0.00 N ATOM 2 CA ASN A 677 -0.808 -8.112 -14.271 1.00 0.00 C ATOM 3 C ASN A 677 0.659 -7.970 -13.879 1.00 0.00 C ATOM 4 O ASN A 677 1.347 -8.963 -13.646 1.00 0.00 O ATOM 5 CB ASN A 677 -1.079 -7.344 -15.567 1.00 0.00 C ATOM 6 CG ASN A 677 -2.552 -7.462 -15.942 1.00 0.00 C ATOM 7 OD1 ASN A 677 -3.123 -8.551 -15.888 1.00 0.00 O ATOM 8 ND2 ASN A 677 -3.206 -6.397 -16.321 1.00 0.00 N ATOM 0 HA ASN A 677 -1.037 -9.166 -14.425 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -0.810 -6.295 -15.442 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -0.457 -7.739 -16.371 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -4.192 -6.467 -16.573 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -2.731 -5.495 -16.365 1.00 0.00 H new ATOM 17 N TRP A 678 1.127 -6.729 -13.795 1.00 0.00 N ATOM 18 CA TRP A 678 2.509 -6.471 -13.412 1.00 0.00 C ATOM 19 C TRP A 678 2.731 -6.815 -11.943 1.00 0.00 C ATOM 20 O TRP A 678 3.693 -7.499 -11.593 1.00 0.00 O ATOM 21 CB TRP A 678 2.850 -4.999 -13.648 1.00 0.00 C ATOM 22 CG TRP A 678 2.927 -4.732 -15.116 1.00 0.00 C ATOM 23 CD1 TRP A 678 1.920 -4.235 -15.869 1.00 0.00 C ATOM 24 CD2 TRP A 678 4.051 -4.938 -16.020 1.00 0.00 C ATOM 25 NE1 TRP A 678 2.354 -4.122 -17.178 1.00 0.00 N ATOM 26 CE2 TRP A 678 3.661 -4.543 -17.321 1.00 0.00 C ATOM 27 CE3 TRP A 678 5.358 -5.426 -15.839 1.00 0.00 C ATOM 28 CZ2 TRP A 678 4.537 -4.627 -18.404 1.00 0.00 C ATOM 29 CZ3 TRP A 678 6.243 -5.511 -16.926 1.00 0.00 C ATOM 30 CH2 TRP A 678 5.833 -5.113 -18.207 1.00 0.00 C ATOM 0 H TRP A 678 0.574 -5.893 -13.985 1.00 0.00 H new ATOM 0 HA TRP A 678 3.158 -7.098 -14.023 1.00 0.00 H new ATOM 0 HB2 TRP A 678 2.092 -4.362 -13.191 1.00 0.00 H new ATOM 0 HB3 TRP A 678 3.800 -4.755 -13.173 1.00 0.00 H new ATOM 0 HD1 TRP A 678 0.937 -3.970 -15.508 1.00 0.00 H new ATOM 0 HE1 TRP A 678 1.779 -3.771 -17.944 1.00 0.00 H new ATOM 0 HE3 TRP A 678 5.683 -5.737 -14.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 678 4.216 -4.319 -19.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 678 7.245 -5.885 -16.775 1.00 0.00 H new ATOM 0 HH2 TRP A 678 6.517 -5.182 -19.040 1.00 0.00 H new ATOM 41 N LEU A 679 1.834 -6.337 -11.086 1.00 0.00 N ATOM 42 CA LEU A 679 1.942 -6.601 -9.655 1.00 0.00 C ATOM 43 C LEU A 679 2.084 -8.098 -9.397 1.00 0.00 C ATOM 44 O LEU A 679 2.757 -8.512 -8.454 1.00 0.00 O ATOM 45 CB LEU A 679 0.700 -6.074 -8.932 1.00 0.00 C ATOM 46 CG LEU A 679 0.695 -4.543 -8.958 1.00 0.00 C ATOM 47 CD1 LEU A 679 -0.657 -4.033 -8.454 1.00 0.00 C ATOM 48 CD2 LEU A 679 1.809 -4.007 -8.052 1.00 0.00 C ATOM 0 H LEU A 679 1.030 -5.769 -11.354 1.00 0.00 H new ATOM 0 HA LEU A 679 2.828 -6.091 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.201 -6.458 -9.411 1.00 0.00 H new ATOM 0 HB3 LEU A 679 0.690 -6.429 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 679 0.862 -4.198 -9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 679 -0.664 -2.943 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 679 -1.451 -4.411 -9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 679 -0.820 -4.381 -7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 679 1.802 -2.917 -8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 679 1.645 -4.351 -7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 679 2.773 -4.371 -8.407 1.00 0.00 H new ATOM 60 N TRP A 680 1.446 -8.903 -10.240 1.00 0.00 N ATOM 61 CA TRP A 680 1.509 -10.353 -10.093 1.00 0.00 C ATOM 62 C TRP A 680 2.956 -10.832 -10.122 1.00 0.00 C ATOM 63 O TRP A 680 3.383 -11.603 -9.263 1.00 0.00 O ATOM 64 CB TRP A 680 0.722 -11.028 -11.217 1.00 0.00 C ATOM 65 CG TRP A 680 0.831 -12.513 -11.080 1.00 0.00 C ATOM 66 CD1 TRP A 680 1.594 -13.312 -11.861 1.00 0.00 C ATOM 67 CD2 TRP A 680 0.170 -13.389 -10.121 1.00 0.00 C ATOM 68 NE1 TRP A 680 1.444 -14.622 -11.441 1.00 0.00 N ATOM 69 CE2 TRP A 680 0.577 -14.720 -10.371 1.00 0.00 C ATOM 70 CE3 TRP A 680 -0.734 -13.159 -9.067 1.00 0.00 C ATOM 71 CZ2 TRP A 680 0.104 -15.786 -9.605 1.00 0.00 C ATOM 72 CZ3 TRP A 680 -1.212 -14.230 -8.294 1.00 0.00 C ATOM 73 CH2 TRP A 680 -0.793 -15.541 -8.562 1.00 0.00 C ATOM 0 H TRP A 680 0.883 -8.579 -11.027 1.00 0.00 H new ATOM 0 HA TRP A 680 1.069 -10.621 -9.132 1.00 0.00 H new ATOM 0 HB2 TRP A 680 -0.324 -10.724 -11.176 1.00 0.00 H new ATOM 0 HB3 TRP A 680 1.108 -10.712 -12.186 1.00 0.00 H new ATOM 0 HD1 TRP A 680 2.218 -12.982 -12.678 1.00 0.00 H new ATOM 0 HE1 TRP A 680 1.916 -15.418 -11.870 1.00 0.00 H new ATOM 0 HE3 TRP A 680 -1.062 -12.153 -8.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 680 0.429 -16.794 -9.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 680 -1.906 -14.043 -7.488 1.00 0.00 H new ATOM 0 HH2 TRP A 680 -1.163 -16.360 -7.963 1.00 0.00 H new ATOM 84 N TYR A 681 3.706 -10.371 -11.118 1.00 0.00 N ATOM 85 CA TYR A 681 5.106 -10.759 -11.251 1.00 0.00 C ATOM 86 C TYR A 681 5.928 -10.217 -10.087 1.00 0.00 C ATOM 87 O TYR A 681 6.853 -10.874 -9.608 1.00 0.00 O ATOM 88 CB TYR A 681 5.674 -10.224 -12.567 1.00 0.00 C ATOM 89 CG TYR A 681 5.064 -10.978 -13.724 1.00 0.00 C ATOM 90 CD1 TYR A 681 3.890 -10.509 -14.326 1.00 0.00 C ATOM 91 CD2 TYR A 681 5.674 -12.147 -14.196 1.00 0.00 C ATOM 92 CE1 TYR A 681 3.326 -11.207 -15.400 1.00 0.00 C ATOM 93 CE2 TYR A 681 5.109 -12.846 -15.270 1.00 0.00 C ATOM 94 CZ TYR A 681 3.935 -12.376 -15.872 1.00 0.00 C ATOM 95 OH TYR A 681 3.379 -13.064 -16.931 1.00 0.00 O ATOM 0 H TYR A 681 3.371 -9.733 -11.840 1.00 0.00 H new ATOM 0 HA TYR A 681 5.161 -11.848 -11.245 1.00 0.00 H new ATOM 0 HB2 TYR A 681 5.461 -9.159 -12.661 1.00 0.00 H new ATOM 0 HB3 TYR A 681 6.758 -10.334 -12.579 1.00 0.00 H new ATOM 0 HD1 TYR A 681 3.419 -9.608 -13.961 1.00 0.00 H new ATOM 0 HD2 TYR A 681 6.580 -12.509 -13.732 1.00 0.00 H new ATOM 0 HE1 TYR A 681 2.421 -10.844 -15.865 1.00 0.00 H new ATOM 0 HE2 TYR A 681 5.579 -13.748 -15.634 1.00 0.00 H new ATOM 0 HH TYR A 681 3.927 -13.851 -17.133 1.00 0.00 H new ATOM 105 N ILE A 682 5.583 -9.015 -9.634 1.00 0.00 N ATOM 106 CA ILE A 682 6.298 -8.395 -8.523 1.00 0.00 C ATOM 107 C ILE A 682 6.126 -9.219 -7.252 1.00 0.00 C ATOM 108 O ILE A 682 7.081 -9.430 -6.504 1.00 0.00 O ATOM 109 CB ILE A 682 5.787 -6.972 -8.294 1.00 0.00 C ATOM 110 CG1 ILE A 682 6.208 -6.087 -9.473 1.00 0.00 C ATOM 111 CG2 ILE A 682 6.386 -6.418 -7.001 1.00 0.00 C ATOM 112 CD1 ILE A 682 5.483 -4.741 -9.396 1.00 0.00 C ATOM 0 H ILE A 682 4.820 -8.455 -10.015 1.00 0.00 H new ATOM 0 HA ILE A 682 7.358 -8.356 -8.774 1.00 0.00 H new ATOM 0 HB ILE A 682 4.700 -6.982 -8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 682 7.287 -5.931 -9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 682 5.973 -6.584 -10.414 1.00 0.00 H new ATOM 0 HG21 ILE A 682 6.022 -5.404 -6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 682 6.090 -7.049 -6.163 1.00 0.00 H new ATOM 0 HG23 ILE A 682 7.473 -6.405 -7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 682 5.786 -4.116 -10.236 1.00 0.00 H new ATOM 0 HD12 ILE A 682 4.406 -4.905 -9.435 1.00 0.00 H new ATOM 0 HD13 ILE A 682 5.740 -4.242 -8.462 1.00 0.00 H new ATOM 124 N ARG A 683 4.904 -9.681 -7.012 1.00 0.00 N ATOM 125 CA ARG A 683 4.620 -10.480 -5.827 1.00 0.00 C ATOM 126 C ARG A 683 5.439 -11.767 -5.840 1.00 0.00 C ATOM 127 O ARG A 683 6.024 -12.151 -4.828 1.00 0.00 O ATOM 128 CB ARG A 683 3.130 -10.824 -5.770 1.00 0.00 C ATOM 129 CG ARG A 683 2.324 -9.561 -5.461 1.00 0.00 C ATOM 130 CD ARG A 683 0.830 -9.874 -5.558 1.00 0.00 C ATOM 131 NE ARG A 683 0.456 -10.872 -4.561 1.00 0.00 N ATOM 132 CZ ARG A 683 -0.751 -11.441 -4.556 1.00 0.00 C ATOM 133 NH1 ARG A 683 -1.647 -11.120 -5.455 1.00 0.00 N ATOM 134 NH2 ARG A 683 -1.041 -12.329 -3.645 1.00 0.00 N ATOM 0 H ARG A 683 4.100 -9.517 -7.618 1.00 0.00 H new ATOM 0 HA ARG A 683 4.891 -9.897 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 683 2.808 -11.250 -6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 683 2.950 -11.579 -5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 683 2.566 -9.197 -4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 683 2.587 -8.768 -6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 683 0.250 -8.964 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 683 0.592 -10.241 -6.557 1.00 0.00 H new ATOM 0 HE ARG A 683 1.135 -11.142 -3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 683 -1.426 -10.427 -6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -2.566 -11.563 -5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 683 -0.347 -12.584 -2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -1.962 -12.768 -3.635 1.00 0.00 H new ATOM 148 N ILE A 684 5.473 -12.430 -6.992 1.00 0.00 N ATOM 149 CA ILE A 684 6.223 -13.674 -7.123 1.00 0.00 C ATOM 150 C ILE A 684 7.693 -13.450 -6.780 1.00 0.00 C ATOM 151 O ILE A 684 8.285 -14.214 -6.019 1.00 0.00 O ATOM 152 CB ILE A 684 6.106 -14.207 -8.551 1.00 0.00 C ATOM 153 CG1 ILE A 684 4.669 -14.672 -8.804 1.00 0.00 C ATOM 154 CG2 ILE A 684 7.063 -15.385 -8.737 1.00 0.00 C ATOM 155 CD1 ILE A 684 4.474 -14.943 -10.297 1.00 0.00 C ATOM 0 H ILE A 684 4.994 -12.130 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 684 5.806 -14.403 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 684 6.363 -13.417 -9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 684 4.462 -15.575 -8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 684 3.965 -13.911 -8.467 1.00 0.00 H new ATOM 0 HG21 ILE A 684 6.979 -15.765 -9.755 1.00 0.00 H new ATOM 0 HG22 ILE A 684 8.086 -15.055 -8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 684 6.807 -16.176 -8.033 1.00 0.00 H new ATOM 0 HD11 ILE A 684 3.451 -15.274 -10.476 1.00 0.00 H new ATOM 0 HD12 ILE A 684 4.664 -14.029 -10.860 1.00 0.00 H new ATOM 0 HD13 ILE A 684 5.168 -15.719 -10.620 1.00 0.00 H new ATOM 167 N PHE A 685 8.277 -12.400 -7.349 1.00 0.00 N ATOM 168 CA PHE A 685 9.677 -12.088 -7.096 1.00 0.00 C ATOM 169 C PHE A 685 9.912 -11.851 -5.608 1.00 0.00 C ATOM 170 O PHE A 685 10.905 -12.310 -5.045 1.00 0.00 O ATOM 171 CB PHE A 685 10.105 -10.849 -7.888 1.00 0.00 C ATOM 172 CG PHE A 685 10.370 -11.230 -9.325 1.00 0.00 C ATOM 173 CD1 PHE A 685 9.570 -10.708 -10.348 1.00 0.00 C ATOM 174 CD2 PHE A 685 11.415 -12.109 -9.635 1.00 0.00 C ATOM 175 CE1 PHE A 685 9.815 -11.062 -11.680 1.00 0.00 C ATOM 176 CE2 PHE A 685 11.660 -12.464 -10.966 1.00 0.00 C ATOM 177 CZ PHE A 685 10.860 -11.941 -11.989 1.00 0.00 C ATOM 0 H PHE A 685 7.806 -11.756 -7.984 1.00 0.00 H new ATOM 0 HA PHE A 685 10.276 -12.939 -7.419 1.00 0.00 H new ATOM 0 HB2 PHE A 685 9.326 -10.088 -7.841 1.00 0.00 H new ATOM 0 HB3 PHE A 685 11.001 -10.414 -7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 685 8.763 -10.031 -10.109 1.00 0.00 H new ATOM 0 HD2 PHE A 685 12.032 -12.513 -8.846 1.00 0.00 H new ATOM 0 HE1 PHE A 685 9.198 -10.657 -12.469 1.00 0.00 H new ATOM 0 HE2 PHE A 685 12.466 -13.142 -11.204 1.00 0.00 H new ATOM 0 HZ PHE A 685 11.049 -12.216 -13.016 1.00 0.00 H new ATOM 187 N ILE A 686 8.988 -11.132 -4.976 1.00 0.00 N ATOM 188 CA ILE A 686 9.105 -10.843 -3.552 1.00 0.00 C ATOM 189 C ILE A 686 9.110 -12.137 -2.742 1.00 0.00 C ATOM 190 O ILE A 686 9.941 -12.324 -1.855 1.00 0.00 O ATOM 191 CB ILE A 686 7.949 -9.953 -3.095 1.00 0.00 C ATOM 192 CG1 ILE A 686 8.114 -8.555 -3.696 1.00 0.00 C ATOM 193 CG2 ILE A 686 7.953 -9.853 -1.569 1.00 0.00 C ATOM 194 CD1 ILE A 686 6.826 -7.755 -3.495 1.00 0.00 C ATOM 0 H ILE A 686 8.158 -10.743 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 686 10.046 -10.319 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 686 7.005 -10.385 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 686 8.951 -8.041 -3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 686 8.346 -8.630 -4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 686 7.129 -9.218 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 686 7.837 -10.848 -1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 686 8.897 -9.421 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 686 6.945 -6.760 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 686 5.999 -8.266 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 686 6.614 -7.668 -2.429 1.00 0.00 H new ATOM 206 N ILE A 687 8.175 -13.028 -3.058 1.00 0.00 N ATOM 207 CA ILE A 687 8.079 -14.302 -2.356 1.00 0.00 C ATOM 208 C ILE A 687 9.345 -15.125 -2.568 1.00 0.00 C ATOM 209 O ILE A 687 9.857 -15.749 -1.639 1.00 0.00 O ATOM 210 CB ILE A 687 6.867 -15.086 -2.861 1.00 0.00 C ATOM 211 CG1 ILE A 687 5.584 -14.378 -2.421 1.00 0.00 C ATOM 212 CG2 ILE A 687 6.894 -16.499 -2.278 1.00 0.00 C ATOM 213 CD1 ILE A 687 4.386 -14.992 -3.147 1.00 0.00 C ATOM 0 H ILE A 687 7.478 -12.892 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 687 7.963 -14.102 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 687 6.898 -15.142 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 687 5.456 -14.472 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 687 5.650 -13.313 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 687 6.030 -17.058 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 687 7.808 -17.004 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 687 6.863 -16.444 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 687 3.472 -14.487 -2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 687 4.514 -14.875 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 687 4.317 -16.052 -2.903 1.00 0.00 H new ATOM 225 N ILE A 688 9.847 -15.122 -3.800 1.00 0.00 N ATOM 226 CA ILE A 688 11.056 -15.872 -4.125 1.00 0.00 C ATOM 227 C ILE A 688 12.227 -15.395 -3.271 1.00 0.00 C ATOM 228 O ILE A 688 12.987 -16.202 -2.736 1.00 0.00 O ATOM 229 CB ILE A 688 11.397 -15.715 -5.607 1.00 0.00 C ATOM 230 CG1 ILE A 688 10.362 -16.464 -6.450 1.00 0.00 C ATOM 231 CG2 ILE A 688 12.787 -16.293 -5.875 1.00 0.00 C ATOM 232 CD1 ILE A 688 10.511 -16.062 -7.918 1.00 0.00 C ATOM 0 H ILE A 688 9.439 -14.613 -4.584 1.00 0.00 H new ATOM 0 HA ILE A 688 10.872 -16.925 -3.913 1.00 0.00 H new ATOM 0 HB ILE A 688 11.386 -14.658 -5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 688 10.499 -17.540 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 688 9.356 -16.233 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 688 13.030 -16.181 -6.932 1.00 0.00 H new ATOM 0 HG22 ILE A 688 13.524 -15.760 -5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 688 12.799 -17.350 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 688 9.774 -16.596 -8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 688 10.353 -14.988 -8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 688 11.513 -16.315 -8.265 1.00 0.00 H new ATOM 244 N VAL A 689 12.366 -14.080 -3.146 1.00 0.00 N ATOM 245 CA VAL A 689 13.450 -13.507 -2.355 1.00 0.00 C ATOM 246 C VAL A 689 13.295 -13.880 -0.885 1.00 0.00 C ATOM 247 O VAL A 689 14.274 -14.196 -0.208 1.00 0.00 O ATOM 248 CB VAL A 689 13.456 -11.985 -2.501 1.00 0.00 C ATOM 249 CG1 VAL A 689 14.448 -11.382 -1.506 1.00 0.00 C ATOM 250 CG2 VAL A 689 13.873 -11.612 -3.926 1.00 0.00 C ATOM 0 H VAL A 689 11.747 -13.394 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 689 14.394 -13.909 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 689 12.458 -11.596 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 689 14.453 -10.297 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 689 14.153 -11.648 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 689 15.446 -11.770 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 689 13.878 -10.527 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 689 14.872 -12.000 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 689 13.167 -12.043 -4.636 1.00 0.00 H new ATOM 260 N GLY A 690 12.060 -13.837 -0.394 1.00 0.00 N ATOM 261 CA GLY A 690 11.790 -14.171 0.999 1.00 0.00 C ATOM 262 C GLY A 690 12.168 -15.621 1.288 1.00 0.00 C ATOM 263 O GLY A 690 12.712 -15.931 2.347 1.00 0.00 O ATOM 0 H GLY A 690 11.236 -13.576 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 690 12.353 -13.506 1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 690 10.734 -14.015 1.218 1.00 0.00 H new ATOM 267 N SER A 691 11.880 -16.503 0.337 1.00 0.00 N ATOM 268 CA SER A 691 12.194 -17.917 0.501 1.00 0.00 C ATOM 269 C SER A 691 13.701 -18.119 0.629 1.00 0.00 C ATOM 270 O SER A 691 14.164 -18.889 1.470 1.00 0.00 O ATOM 271 CB SER A 691 11.671 -18.711 -0.697 1.00 0.00 C ATOM 272 OG SER A 691 10.250 -18.659 -0.712 1.00 0.00 O ATOM 0 H SER A 691 11.433 -16.266 -0.549 1.00 0.00 H new ATOM 0 HA SER A 691 11.712 -18.274 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 691 12.071 -18.299 -1.623 1.00 0.00 H new ATOM 0 HB3 SER A 691 12.008 -19.746 -0.637 1.00 0.00 H new ATOM 0 HG SER A 691 9.958 -17.767 -0.994 1.00 0.00 H new ATOM 278 N LEU A 692 14.461 -17.420 -0.210 1.00 0.00 N ATOM 279 CA LEU A 692 15.914 -17.530 -0.177 1.00 0.00 C ATOM 280 C LEU A 692 16.455 -17.067 1.172 1.00 0.00 C ATOM 281 O LEU A 692 17.327 -17.713 1.756 1.00 0.00 O ATOM 282 CB LEU A 692 16.526 -16.684 -1.299 1.00 0.00 C ATOM 283 CG LEU A 692 18.056 -16.779 -1.257 1.00 0.00 C ATOM 284 CD1 LEU A 692 18.494 -18.228 -1.480 1.00 0.00 C ATOM 285 CD2 LEU A 692 18.648 -15.895 -2.358 1.00 0.00 C ATOM 0 H LEU A 692 14.098 -16.778 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 692 16.187 -18.575 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 692 16.159 -17.028 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 692 16.215 -15.645 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 692 18.411 -16.443 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 692 19.582 -18.288 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 692 18.073 -18.860 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 692 18.139 -18.570 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 692 19.736 -15.960 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 692 18.288 -16.234 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 692 18.342 -14.861 -2.198 1.00 0.00 H new ATOM 297 N ILE A 693 15.933 -15.946 1.660 1.00 0.00 N ATOM 298 CA ILE A 693 16.372 -15.404 2.942 1.00 0.00 C ATOM 299 C ILE A 693 16.077 -16.390 4.069 1.00 0.00 C ATOM 300 O ILE A 693 16.904 -16.599 4.956 1.00 0.00 O ATOM 301 CB ILE A 693 15.650 -14.081 3.223 1.00 0.00 C ATOM 302 CG1 ILE A 693 16.103 -12.996 2.226 1.00 0.00 C ATOM 303 CG2 ILE A 693 15.956 -13.629 4.651 1.00 0.00 C ATOM 304 CD1 ILE A 693 17.563 -12.582 2.473 1.00 0.00 C ATOM 0 H ILE A 693 15.211 -15.398 1.192 1.00 0.00 H new ATOM 0 HA ILE A 693 17.447 -15.232 2.894 1.00 0.00 H new ATOM 0 HB ILE A 693 14.577 -14.233 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 693 15.996 -13.368 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 693 15.456 -12.124 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 693 15.443 -12.688 4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 693 15.612 -14.388 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 693 17.031 -13.488 4.766 1.00 0.00 H new ATOM 0 HD11 ILE A 693 17.851 -11.816 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 693 17.663 -12.186 3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 693 18.212 -13.450 2.358 1.00 0.00 H new ATOM 316 N GLY A 694 14.892 -16.990 4.026 1.00 0.00 N ATOM 317 CA GLY A 694 14.496 -17.953 5.049 1.00 0.00 C ATOM 318 C GLY A 694 15.442 -19.150 5.052 1.00 0.00 C ATOM 319 O GLY A 694 15.928 -19.568 6.103 1.00 0.00 O ATOM 0 H GLY A 694 14.194 -16.829 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 694 14.502 -17.475 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 694 13.476 -18.289 4.865 1.00 0.00 H new ATOM 323 N LEU A 695 15.694 -19.701 3.869 1.00 0.00 N ATOM 324 CA LEU A 695 16.582 -20.854 3.749 1.00 0.00 C ATOM 325 C LEU A 695 17.932 -20.556 4.392 1.00 0.00 C ATOM 326 O LEU A 695 18.462 -21.368 5.151 1.00 0.00 O ATOM 327 CB LEU A 695 16.778 -21.208 2.271 1.00 0.00 C ATOM 328 CG LEU A 695 17.741 -22.394 2.137 1.00 0.00 C ATOM 329 CD1 LEU A 695 17.153 -23.622 2.835 1.00 0.00 C ATOM 330 CD2 LEU A 695 17.952 -22.707 0.653 1.00 0.00 C ATOM 0 H LEU A 695 15.301 -19.372 2.987 1.00 0.00 H new ATOM 0 HA LEU A 695 16.128 -21.700 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 695 15.818 -21.456 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 695 17.172 -20.347 1.732 1.00 0.00 H new ATOM 0 HG LEU A 695 18.694 -22.139 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 695 17.842 -24.461 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 695 16.999 -23.401 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 695 16.199 -23.880 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 695 18.636 -23.550 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 695 16.996 -22.959 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 695 18.375 -21.835 0.154 1.00 0.00 H new ATOM 342 N ARG A 696 18.482 -19.387 4.084 1.00 0.00 N ATOM 343 CA ARG A 696 19.773 -18.991 4.636 1.00 0.00 C ATOM 344 C ARG A 696 19.715 -18.946 6.160 1.00 0.00 C ATOM 345 O ARG A 696 20.590 -19.480 6.841 1.00 0.00 O ATOM 346 CB ARG A 696 20.196 -17.620 4.097 1.00 0.00 C ATOM 347 CG ARG A 696 21.048 -17.803 2.837 1.00 0.00 C ATOM 348 CD ARG A 696 20.141 -18.017 1.625 1.00 0.00 C ATOM 349 NE ARG A 696 20.941 -18.213 0.419 1.00 0.00 N ATOM 350 CZ ARG A 696 21.430 -17.186 -0.280 1.00 0.00 C ATOM 351 NH1 ARG A 696 21.220 -15.950 0.101 1.00 0.00 N ATOM 352 NH2 ARG A 696 22.125 -17.416 -1.360 1.00 0.00 N ATOM 0 H ARG A 696 18.058 -18.701 3.460 1.00 0.00 H new ATOM 0 HA ARG A 696 20.510 -19.734 4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 696 19.315 -17.020 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 696 20.762 -17.079 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 696 21.677 -16.926 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 696 21.715 -18.656 2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 696 19.502 -18.884 1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 696 19.484 -17.156 1.498 1.00 0.00 H new ATOM 0 HE ARG A 696 21.132 -19.163 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 696 20.676 -15.761 0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 696 21.601 -15.177 -0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 696 22.291 -18.375 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 696 22.502 -16.637 -1.899 1.00 0.00 H new ATOM 366 N ILE A 697 18.680 -18.304 6.691 1.00 0.00 N ATOM 367 CA ILE A 697 18.518 -18.195 8.135 1.00 0.00 C ATOM 368 C ILE A 697 18.468 -19.578 8.776 1.00 0.00 C ATOM 369 O ILE A 697 19.122 -19.829 9.789 1.00 0.00 O ATOM 370 CB ILE A 697 17.233 -17.433 8.461 1.00 0.00 C ATOM 371 CG1 ILE A 697 17.391 -15.969 8.046 1.00 0.00 C ATOM 372 CG2 ILE A 697 16.962 -17.509 9.964 1.00 0.00 C ATOM 373 CD1 ILE A 697 16.031 -15.270 8.108 1.00 0.00 C ATOM 0 H ILE A 697 17.945 -17.854 6.146 1.00 0.00 H new ATOM 0 HA ILE A 697 19.374 -17.652 8.536 1.00 0.00 H new ATOM 0 HB ILE A 697 16.399 -17.878 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 697 18.100 -15.468 8.705 1.00 0.00 H new ATOM 0 HG13 ILE A 697 17.797 -15.908 7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 697 16.046 -16.966 10.196 1.00 0.00 H new ATOM 0 HG22 ILE A 697 16.851 -18.552 10.261 1.00 0.00 H new ATOM 0 HG23 ILE A 697 17.796 -17.064 10.507 1.00 0.00 H new ATOM 0 HD11 ILE A 697 16.144 -14.227 7.812 1.00 0.00 H new ATOM 0 HD12 ILE A 697 15.336 -15.766 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 697 15.643 -15.319 9.125 1.00 0.00 H new ATOM 385 N VAL A 698 17.684 -20.471 8.181 1.00 0.00 N ATOM 386 CA VAL A 698 17.554 -21.827 8.704 1.00 0.00 C ATOM 387 C VAL A 698 18.909 -22.522 8.733 1.00 0.00 C ATOM 388 O VAL A 698 19.268 -23.165 9.720 1.00 0.00 O ATOM 389 CB VAL A 698 16.586 -22.630 7.835 1.00 0.00 C ATOM 390 CG1 VAL A 698 16.635 -24.103 8.246 1.00 0.00 C ATOM 391 CG2 VAL A 698 15.164 -22.095 8.026 1.00 0.00 C ATOM 0 H VAL A 698 17.133 -20.283 7.343 1.00 0.00 H new ATOM 0 HA VAL A 698 17.167 -21.768 9.721 1.00 0.00 H new ATOM 0 HB VAL A 698 16.873 -22.534 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 698 15.945 -24.677 7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 698 17.647 -24.485 8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 698 16.348 -24.198 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 698 14.474 -22.667 7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 698 14.877 -22.191 9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 698 15.128 -21.045 7.735 1.00 0.00 H new ATOM 401 N PHE A 699 19.658 -22.387 7.643 1.00 0.00 N ATOM 402 CA PHE A 699 20.975 -23.007 7.552 1.00 0.00 C ATOM 403 C PHE A 699 21.908 -22.434 8.614 1.00 0.00 C ATOM 404 O PHE A 699 22.652 -23.171 9.262 1.00 0.00 O ATOM 405 CB PHE A 699 21.570 -22.769 6.163 1.00 0.00 C ATOM 406 CG PHE A 699 22.931 -23.418 6.079 1.00 0.00 C ATOM 407 CD1 PHE A 699 23.037 -24.799 5.876 1.00 0.00 C ATOM 408 CD2 PHE A 699 24.087 -22.638 6.203 1.00 0.00 C ATOM 409 CE1 PHE A 699 24.298 -25.400 5.798 1.00 0.00 C ATOM 410 CE2 PHE A 699 25.349 -23.240 6.125 1.00 0.00 C ATOM 411 CZ PHE A 699 25.455 -24.621 5.922 1.00 0.00 C ATOM 0 H PHE A 699 19.378 -21.858 6.817 1.00 0.00 H new ATOM 0 HA PHE A 699 20.866 -24.079 7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 699 20.911 -23.181 5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 699 21.653 -21.699 5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 699 22.145 -25.401 5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 699 24.006 -21.572 6.359 1.00 0.00 H new ATOM 0 HE1 PHE A 699 24.379 -26.466 5.642 1.00 0.00 H new ATOM 0 HE2 PHE A 699 26.241 -22.639 6.222 1.00 0.00 H new ATOM 0 HZ PHE A 699 26.428 -25.085 5.861 1.00 0.00 H new ATOM 421 N ALA A 700 21.863 -21.117 8.787 1.00 0.00 N ATOM 422 CA ALA A 700 22.708 -20.456 9.774 1.00 0.00 C ATOM 423 C ALA A 700 22.371 -20.945 11.178 1.00 0.00 C ATOM 424 O ALA A 700 23.264 -21.180 11.994 1.00 0.00 O ATOM 425 CB ALA A 700 22.513 -18.942 9.699 1.00 0.00 C ATOM 0 H ALA A 700 21.255 -20.490 8.260 1.00 0.00 H new ATOM 0 HA ALA A 700 23.748 -20.698 9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 700 23.148 -18.456 10.440 1.00 0.00 H new ATOM 0 HB2 ALA A 700 22.782 -18.589 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 700 21.470 -18.699 9.900 1.00 0.00 H new ATOM 431 N VAL A 701 21.081 -21.094 11.454 1.00 0.00 N ATOM 432 CA VAL A 701 20.639 -21.555 12.764 1.00 0.00 C ATOM 433 C VAL A 701 21.182 -22.950 13.052 1.00 0.00 C ATOM 434 O VAL A 701 21.648 -23.232 14.156 1.00 0.00 O ATOM 435 CB VAL A 701 19.110 -21.575 12.828 1.00 0.00 C ATOM 436 CG1 VAL A 701 18.662 -22.287 14.106 1.00 0.00 C ATOM 437 CG2 VAL A 701 18.580 -20.137 12.838 1.00 0.00 C ATOM 0 H VAL A 701 20.327 -20.904 10.793 1.00 0.00 H new ATOM 0 HA VAL A 701 21.022 -20.866 13.517 1.00 0.00 H new ATOM 0 HB VAL A 701 18.718 -22.103 11.959 1.00 0.00 H new ATOM 0 HG11 VAL A 701 17.573 -22.301 14.152 1.00 0.00 H new ATOM 0 HG12 VAL A 701 19.039 -23.310 14.104 1.00 0.00 H new ATOM 0 HG13 VAL A 701 19.055 -21.758 14.974 1.00 0.00 H new ATOM 0 HG21 VAL A 701 17.491 -20.151 12.884 1.00 0.00 H new ATOM 0 HG22 VAL A 701 18.973 -19.610 13.708 1.00 0.00 H new ATOM 0 HG23 VAL A 701 18.899 -19.625 11.930 1.00 0.00 H new ATOM 447 N LEU A 702 21.123 -23.820 12.049 1.00 0.00 N ATOM 448 CA LEU A 702 21.614 -25.185 12.205 1.00 0.00 C ATOM 449 C LEU A 702 23.119 -25.193 12.452 1.00 0.00 C ATOM 450 O LEU A 702 23.615 -25.932 13.302 1.00 0.00 O ATOM 451 CB LEU A 702 21.299 -25.999 10.949 1.00 0.00 C ATOM 452 CG LEU A 702 19.790 -26.235 10.846 1.00 0.00 C ATOM 453 CD1 LEU A 702 19.463 -26.827 9.474 1.00 0.00 C ATOM 454 CD2 LEU A 702 19.344 -27.213 11.940 1.00 0.00 C ATOM 0 H LEU A 702 20.743 -23.607 11.127 1.00 0.00 H new ATOM 0 HA LEU A 702 21.115 -25.632 13.065 1.00 0.00 H new ATOM 0 HB2 LEU A 702 21.655 -25.471 10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 702 21.824 -26.954 10.983 1.00 0.00 H new ATOM 0 HG LEU A 702 19.266 -25.287 10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 702 18.389 -26.996 9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 702 19.778 -26.133 8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 702 19.989 -27.774 9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 702 18.269 -27.379 11.864 1.00 0.00 H new ATOM 0 HD22 LEU A 702 19.867 -28.161 11.816 1.00 0.00 H new ATOM 0 HD23 LEU A 702 19.578 -26.795 12.919 1.00 0.00 H new ATOM 466 N SER A 703 23.841 -24.366 11.703 1.00 0.00 N ATOM 467 CA SER A 703 25.290 -24.286 11.850 1.00 0.00 C ATOM 468 C SER A 703 25.660 -23.891 13.276 1.00 0.00 C ATOM 469 O SER A 703 26.582 -24.453 13.867 1.00 0.00 O ATOM 470 CB SER A 703 25.860 -23.260 10.871 1.00 0.00 C ATOM 471 OG SER A 703 27.271 -23.192 11.031 1.00 0.00 O ATOM 0 H SER A 703 23.450 -23.746 10.993 1.00 0.00 H new ATOM 0 HA SER A 703 25.713 -25.267 11.633 1.00 0.00 H new ATOM 0 HB2 SER A 703 25.612 -23.540 9.847 1.00 0.00 H new ATOM 0 HB3 SER A 703 25.414 -22.282 11.051 1.00 0.00 H new ATOM 0 HG SER A 703 27.640 -22.536 10.404 1.00 0.00 H new ATOM 477 N LEU A 704 24.933 -22.922 13.823 1.00 0.00 N ATOM 478 CA LEU A 704 25.193 -22.459 15.181 1.00 0.00 C ATOM 479 C LEU A 704 24.937 -23.575 16.189 1.00 0.00 C ATOM 480 O LEU A 704 25.691 -23.742 17.149 1.00 0.00 O ATOM 481 CB LEU A 704 24.308 -21.253 15.508 1.00 0.00 C ATOM 482 CG LEU A 704 25.074 -19.948 15.251 1.00 0.00 C ATOM 483 CD1 LEU A 704 26.130 -19.748 16.342 1.00 0.00 C ATOM 484 CD2 LEU A 704 25.757 -19.997 13.877 1.00 0.00 C ATOM 0 H LEU A 704 24.165 -22.445 13.351 1.00 0.00 H new ATOM 0 HA LEU A 704 26.240 -22.163 15.246 1.00 0.00 H new ATOM 0 HB2 LEU A 704 23.405 -21.279 14.898 1.00 0.00 H new ATOM 0 HB3 LEU A 704 23.990 -21.298 16.550 1.00 0.00 H new ATOM 0 HG LEU A 704 24.370 -19.116 15.268 1.00 0.00 H new ATOM 0 HD11 LEU A 704 26.673 -18.821 16.158 1.00 0.00 H new ATOM 0 HD12 LEU A 704 25.642 -19.695 17.315 1.00 0.00 H new ATOM 0 HD13 LEU A 704 26.828 -20.585 16.331 1.00 0.00 H new ATOM 0 HD21 LEU A 704 26.297 -19.066 13.706 1.00 0.00 H new ATOM 0 HD22 LEU A 704 26.456 -20.833 13.848 1.00 0.00 H new ATOM 0 HD23 LEU A 704 25.003 -20.127 13.100 1.00 0.00 H new ATOM 496 N VAL A 705 23.870 -24.336 15.967 1.00 0.00 N ATOM 497 CA VAL A 705 23.526 -25.431 16.867 1.00 0.00 C ATOM 498 C VAL A 705 24.616 -26.500 16.850 1.00 0.00 C ATOM 499 O VAL A 705 25.006 -27.017 17.897 1.00 0.00 O ATOM 500 CB VAL A 705 22.194 -26.053 16.447 1.00 0.00 C ATOM 501 CG1 VAL A 705 21.952 -27.332 17.250 1.00 0.00 C ATOM 502 CG2 VAL A 705 21.060 -25.061 16.717 1.00 0.00 C ATOM 0 H VAL A 705 23.234 -24.216 15.179 1.00 0.00 H new ATOM 0 HA VAL A 705 23.438 -25.032 17.878 1.00 0.00 H new ATOM 0 HB VAL A 705 22.224 -26.291 15.384 1.00 0.00 H new ATOM 0 HG11 VAL A 705 21.002 -27.775 16.951 1.00 0.00 H new ATOM 0 HG12 VAL A 705 22.759 -28.039 17.059 1.00 0.00 H new ATOM 0 HG13 VAL A 705 21.922 -27.094 18.313 1.00 0.00 H new ATOM 0 HG21 VAL A 705 20.110 -25.504 16.418 1.00 0.00 H new ATOM 0 HG22 VAL A 705 21.030 -24.823 17.780 1.00 0.00 H new ATOM 0 HG23 VAL A 705 21.231 -24.149 16.146 1.00 0.00 H new ATOM 512 N ASN A 706 25.100 -26.827 15.658 1.00 0.00 N ATOM 513 CA ASN A 706 26.143 -27.836 15.518 1.00 0.00 C ATOM 514 C ASN A 706 27.391 -27.426 16.294 1.00 0.00 C ATOM 515 O ASN A 706 28.018 -28.249 16.959 1.00 0.00 O ATOM 516 CB ASN A 706 26.501 -28.014 14.042 1.00 0.00 C ATOM 517 CG ASN A 706 25.365 -28.716 13.306 1.00 0.00 C ATOM 518 OD1 ASN A 706 24.532 -29.372 13.930 1.00 0.00 O ATOM 519 ND2 ASN A 706 25.282 -28.616 12.008 1.00 0.00 N ATOM 0 H ASN A 706 24.790 -26.412 14.780 1.00 0.00 H new ATOM 0 HA ASN A 706 25.768 -28.777 15.920 1.00 0.00 H new ATOM 0 HB2 ASN A 706 26.693 -27.042 13.587 1.00 0.00 H new ATOM 0 HB3 ASN A 706 27.418 -28.596 13.950 1.00 0.00 H new ATOM 0 HD21 ASN A 706 24.525 -29.082 11.508 1.00 0.00 H new ATOM 0 HD22 ASN A 706 25.974 -28.071 11.493 1.00 0.00 H new ATOM 526 N ARG A 707 27.745 -26.149 16.200 1.00 0.00 N ATOM 527 CA ARG A 707 28.922 -25.639 16.897 1.00 0.00 C ATOM 528 C ARG A 707 28.739 -25.746 18.407 1.00 0.00 C ATOM 529 O ARG A 707 29.644 -26.175 19.122 1.00 0.00 O ATOM 530 CB ARG A 707 29.166 -24.179 16.513 1.00 0.00 C ATOM 531 CG ARG A 707 30.414 -23.665 17.233 1.00 0.00 C ATOM 532 CD ARG A 707 30.683 -22.217 16.821 1.00 0.00 C ATOM 533 NE ARG A 707 31.852 -21.700 17.528 1.00 0.00 N ATOM 534 CZ ARG A 707 32.283 -20.450 17.350 1.00 0.00 C ATOM 535 NH1 ARG A 707 31.668 -19.639 16.527 1.00 0.00 N ATOM 536 NH2 ARG A 707 33.331 -20.030 18.006 1.00 0.00 N ATOM 0 H ARG A 707 27.239 -25.452 15.653 1.00 0.00 H new ATOM 0 HA ARG A 707 29.783 -26.240 16.603 1.00 0.00 H new ATOM 0 HB2 ARG A 707 29.294 -24.092 15.434 1.00 0.00 H new ATOM 0 HB3 ARG A 707 28.302 -23.572 16.782 1.00 0.00 H new ATOM 0 HG2 ARG A 707 30.275 -23.727 18.312 1.00 0.00 H new ATOM 0 HG3 ARG A 707 31.272 -24.290 16.986 1.00 0.00 H new ATOM 0 HD2 ARG A 707 30.846 -22.162 15.745 1.00 0.00 H new ATOM 0 HD3 ARG A 707 29.812 -21.600 17.043 1.00 0.00 H new ATOM 0 HE ARG A 707 32.352 -22.310 18.175 1.00 0.00 H new ATOM 0 HH11 ARG A 707 30.848 -19.960 16.012 1.00 0.00 H new ATOM 0 HH12 ARG A 707 32.009 -18.686 16.401 1.00 0.00 H new ATOM 0 HH21 ARG A 707 33.815 -20.656 18.650 1.00 0.00 H new ATOM 0 HH22 ARG A 707 33.666 -19.076 17.875 1.00 0.00 H new ATOM 550 N VAL A 708 27.563 -25.353 18.887 1.00 0.00 N ATOM 551 CA VAL A 708 27.275 -25.410 20.315 1.00 0.00 C ATOM 552 C VAL A 708 27.348 -26.848 20.821 1.00 0.00 C ATOM 553 O VAL A 708 27.878 -27.110 21.899 1.00 0.00 O ATOM 554 CB VAL A 708 25.884 -24.838 20.591 1.00 0.00 C ATOM 555 CG1 VAL A 708 25.499 -25.107 22.047 1.00 0.00 C ATOM 556 CG2 VAL A 708 25.894 -23.328 20.338 1.00 0.00 C ATOM 0 H VAL A 708 26.800 -24.994 18.313 1.00 0.00 H new ATOM 0 HA VAL A 708 28.022 -24.815 20.841 1.00 0.00 H new ATOM 0 HB VAL A 708 25.159 -25.314 19.930 1.00 0.00 H new ATOM 0 HG11 VAL A 708 24.507 -24.699 22.243 1.00 0.00 H new ATOM 0 HG12 VAL A 708 25.491 -26.182 22.229 1.00 0.00 H new ATOM 0 HG13 VAL A 708 26.224 -24.632 22.709 1.00 0.00 H new ATOM 0 HG21 VAL A 708 24.903 -22.920 20.535 1.00 0.00 H new ATOM 0 HG22 VAL A 708 26.620 -22.853 20.998 1.00 0.00 H new ATOM 0 HG23 VAL A 708 26.167 -23.135 19.301 1.00 0.00 H new ATOM 566 N ARG A 709 26.810 -27.774 20.033 1.00 0.00 N ATOM 567 CA ARG A 709 26.820 -29.183 20.410 1.00 0.00 C ATOM 568 C ARG A 709 28.235 -29.747 20.341 1.00 0.00 C ATOM 569 O ARG A 709 28.632 -30.558 21.178 1.00 0.00 O ATOM 570 CB ARG A 709 25.890 -29.990 19.502 1.00 0.00 C ATOM 571 CG ARG A 709 24.437 -29.627 19.814 1.00 0.00 C ATOM 572 CD ARG A 709 23.497 -30.614 19.119 1.00 0.00 C ATOM 573 NE ARG A 709 23.608 -30.496 17.669 1.00 0.00 N ATOM 574 CZ ARG A 709 23.001 -31.357 16.850 1.00 0.00 C ATOM 575 NH1 ARG A 709 22.283 -32.343 17.327 1.00 0.00 N ATOM 576 NH2 ARG A 709 23.122 -31.215 15.560 1.00 0.00 N ATOM 0 H ARG A 709 26.365 -27.576 19.137 1.00 0.00 H new ATOM 0 HA ARG A 709 26.462 -29.262 21.436 1.00 0.00 H new ATOM 0 HB2 ARG A 709 26.113 -29.780 18.456 1.00 0.00 H new ATOM 0 HB3 ARG A 709 26.051 -31.057 19.654 1.00 0.00 H new ATOM 0 HG2 ARG A 709 24.270 -29.648 20.891 1.00 0.00 H new ATOM 0 HG3 ARG A 709 24.226 -28.612 19.479 1.00 0.00 H new ATOM 0 HD2 ARG A 709 23.738 -31.632 19.426 1.00 0.00 H new ATOM 0 HD3 ARG A 709 22.469 -30.424 19.427 1.00 0.00 H new ATOM 0 HE ARG A 709 24.163 -29.738 17.272 1.00 0.00 H new ATOM 0 HH11 ARG A 709 22.183 -32.460 18.335 1.00 0.00 H new ATOM 0 HH12 ARG A 709 21.824 -32.994 16.690 1.00 0.00 H new ATOM 0 HH21 ARG A 709 23.679 -30.449 15.181 1.00 0.00 H new ATOM 0 HH22 ARG A 709 22.660 -31.870 14.929 1.00 0.00 H new ATOM 590 N GLN A 710 28.992 -29.313 19.338 1.00 0.00 N ATOM 591 CA GLN A 710 30.361 -29.784 19.171 1.00 0.00 C ATOM 592 C GLN A 710 30.395 -31.306 19.095 1.00 0.00 C ATOM 593 O GLN A 710 31.343 -31.939 19.559 1.00 0.00 O ATOM 594 CB GLN A 710 31.226 -29.398 20.374 1.00 0.00 C ATOM 595 CG GLN A 710 31.253 -27.892 20.573 1.00 0.00 C ATOM 596 CD GLN A 710 32.164 -27.544 21.742 1.00 0.00 C ATOM 597 OE1 GLN A 710 31.906 -27.953 22.873 1.00 0.00 O ATOM 598 NE2 GLN A 710 33.234 -26.830 21.529 1.00 0.00 N ATOM 0 H GLN A 710 28.684 -28.642 18.635 1.00 0.00 H new ATOM 0 HA GLN A 710 30.740 -29.329 18.256 1.00 0.00 H new ATOM 0 HB2 GLN A 710 30.839 -29.879 21.272 1.00 0.00 H new ATOM 0 HB3 GLN A 710 32.241 -29.766 20.228 1.00 0.00 H new ATOM 0 HG2 GLN A 710 31.607 -27.402 19.666 1.00 0.00 H new ATOM 0 HG3 GLN A 710 30.245 -27.523 20.763 1.00 0.00 H new ATOM 0 HE21 GLN A 710 33.444 -26.493 20.589 1.00 0.00 H new ATOM 0 HE22 GLN A 710 33.861 -26.608 22.302 1.00 0.00 H new ATOM 607 N GLY A 711 29.373 -31.887 18.477 1.00 0.00 N ATOM 608 CA GLY A 711 29.312 -33.336 18.318 1.00 0.00 C ATOM 609 C GLY A 711 30.492 -33.824 17.485 1.00 0.00 C ATOM 610 O GLY A 711 31.079 -34.868 17.766 1.00 0.00 O ATOM 0 H GLY A 711 28.581 -31.382 18.080 1.00 0.00 H new ATOM 0 HA2 GLY A 711 29.324 -33.817 19.296 1.00 0.00 H new ATOM 0 HA3 GLY A 711 28.376 -33.617 17.836 1.00 0.00 H new ATOM 614 N TYR A 712 30.829 -33.052 16.458 1.00 0.00 N ATOM 615 CA TYR A 712 31.936 -33.395 15.576 1.00 0.00 C ATOM 616 C TYR A 712 32.611 -32.128 15.064 1.00 0.00 C ATOM 617 O TYR A 712 32.022 -31.047 15.091 1.00 0.00 O ATOM 618 CB TYR A 712 31.416 -34.208 14.391 1.00 0.00 C ATOM 619 CG TYR A 712 30.508 -33.338 13.549 1.00 0.00 C ATOM 620 CD1 TYR A 712 31.031 -32.624 12.464 1.00 0.00 C ATOM 621 CD2 TYR A 712 29.144 -33.245 13.857 1.00 0.00 C ATOM 622 CE1 TYR A 712 30.190 -31.818 11.685 1.00 0.00 C ATOM 623 CE2 TYR A 712 28.303 -32.439 13.078 1.00 0.00 C ATOM 624 CZ TYR A 712 28.826 -31.725 11.991 1.00 0.00 C ATOM 625 OH TYR A 712 27.999 -30.933 11.219 1.00 0.00 O ATOM 0 H TYR A 712 30.351 -32.184 16.216 1.00 0.00 H new ATOM 0 HA TYR A 712 32.662 -33.986 16.135 1.00 0.00 H new ATOM 0 HB2 TYR A 712 32.250 -34.572 13.791 1.00 0.00 H new ATOM 0 HB3 TYR A 712 30.873 -35.084 14.746 1.00 0.00 H new ATOM 0 HD1 TYR A 712 32.082 -32.694 12.228 1.00 0.00 H new ATOM 0 HD2 TYR A 712 28.741 -33.795 14.695 1.00 0.00 H new ATOM 0 HE1 TYR A 712 30.594 -31.268 10.848 1.00 0.00 H new ATOM 0 HE2 TYR A 712 27.252 -32.368 13.315 1.00 0.00 H new ATOM 0 HH TYR A 712 27.084 -30.981 11.566 1.00 0.00 H new ATOM 635 N SER A 713 33.847 -32.264 14.599 1.00 0.00 N ATOM 636 CA SER A 713 34.586 -31.118 14.085 1.00 0.00 C ATOM 637 C SER A 713 34.167 -30.816 12.637 1.00 0.00 C ATOM 638 O SER A 713 34.269 -31.693 11.779 1.00 0.00 O ATOM 639 CB SER A 713 36.085 -31.415 14.122 1.00 0.00 C ATOM 640 OG SER A 713 36.484 -31.662 15.463 1.00 0.00 O ATOM 0 H SER A 713 34.355 -33.148 14.567 1.00 0.00 H new ATOM 0 HA SER A 713 34.364 -30.252 14.709 1.00 0.00 H new ATOM 0 HB2 SER A 713 36.311 -32.280 13.498 1.00 0.00 H new ATOM 0 HB3 SER A 713 36.644 -30.573 13.714 1.00 0.00 H new ATOM 0 HG SER A 713 37.445 -31.854 15.488 1.00 0.00 H new ATOM 646 N PRO A 714 33.708 -29.617 12.326 1.00 0.00 N ATOM 647 CA PRO A 714 33.292 -29.264 10.931 1.00 0.00 C ATOM 648 C PRO A 714 34.431 -29.436 9.929 1.00 0.00 C ATOM 649 O PRO A 714 35.593 -29.186 10.247 1.00 0.00 O ATOM 650 CB PRO A 714 32.891 -27.789 11.025 1.00 0.00 C ATOM 651 CG PRO A 714 32.573 -27.564 12.461 1.00 0.00 C ATOM 652 CD PRO A 714 33.519 -28.470 13.238 1.00 0.00 C ATOM 0 HA PRO A 714 32.490 -29.911 10.577 1.00 0.00 H new ATOM 0 HB2 PRO A 714 33.701 -27.139 10.694 1.00 0.00 H new ATOM 0 HB3 PRO A 714 32.030 -27.574 10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 714 32.718 -26.519 12.735 1.00 0.00 H new ATOM 0 HG3 PRO A 714 31.533 -27.808 12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 714 34.463 -27.972 13.460 1.00 0.00 H new ATOM 0 HD3 PRO A 714 33.089 -28.779 14.191 1.00 0.00 H new ATOM 660 N LEU A 715 34.086 -29.855 8.715 1.00 0.00 N ATOM 661 CA LEU A 715 35.088 -30.045 7.673 1.00 0.00 C ATOM 662 C LEU A 715 35.773 -28.719 7.358 1.00 0.00 C ATOM 663 O LEU A 715 36.984 -28.668 7.141 1.00 0.00 O ATOM 664 CB LEU A 715 34.431 -30.597 6.404 1.00 0.00 C ATOM 665 CG LEU A 715 33.967 -32.038 6.640 1.00 0.00 C ATOM 666 CD1 LEU A 715 33.114 -32.494 5.454 1.00 0.00 C ATOM 667 CD2 LEU A 715 35.185 -32.959 6.774 1.00 0.00 C ATOM 0 H LEU A 715 33.130 -30.067 8.431 1.00 0.00 H new ATOM 0 HA LEU A 715 35.832 -30.758 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 715 33.582 -29.974 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 715 35.138 -30.565 5.575 1.00 0.00 H new ATOM 0 HG LEU A 715 33.379 -32.083 7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 715 32.782 -33.519 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 715 32.246 -31.842 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 715 33.706 -32.446 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 715 34.850 -33.983 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 715 35.776 -32.916 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 715 35.796 -32.634 7.616 1.00 0.00 H new ATOM 679 N SER A 716 34.987 -27.646 7.339 1.00 0.00 N ATOM 680 CA SER A 716 35.527 -26.321 7.056 1.00 0.00 C ATOM 681 C SER A 716 35.583 -25.483 8.330 1.00 0.00 C ATOM 682 O SER A 716 34.576 -24.880 8.664 1.00 0.00 O ATOM 683 CB SER A 716 34.659 -25.611 6.015 1.00 0.00 C ATOM 684 OG SER A 716 34.861 -26.212 4.743 1.00 0.00 O ATOM 685 OXT SER A 716 36.632 -25.457 8.953 1.00 0.00 O ATOM 0 H SER A 716 33.982 -27.668 7.515 1.00 0.00 H new ATOM 0 HA SER A 716 36.538 -26.439 6.665 1.00 0.00 H new ATOM 0 HB2 SER A 716 33.608 -25.675 6.297 1.00 0.00 H new ATOM 0 HB3 SER A 716 34.914 -24.552 5.974 1.00 0.00 H new ATOM 0 HG SER A 716 34.304 -25.759 4.075 1.00 0.00 H new TER 691 SER A 716