USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 340 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 711 SER OG : rot -30:sc= 0.304 USER MOD Single : A 712 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.102) USER MOD Single : A 716 SER OG : rot 180:sc=0.000792 USER MOD Single : A 719 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 721 TYR OH : rot 180:sc= 0 USER MOD Single : A 722 SER OG : rot -75:sc= 0.195 USER MOD Single : A 724 TYR OH : rot 180:sc= 0 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= 0.115 X(o=0.11,f=0) USER MOD Single : A 731 THR OG1 : rot 180:sc= 0 USER MOD Single : A 732 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 735 LYS NZ :NH3+ -150:sc= -0.135 (180deg=-0.745) USER MOD Single : A 736 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-3.4!) USER MOD Single : A 743 GLN : amide:sc=-0.00706 X(o=-0.0071,f=-0.022) USER MOD Single : A 746 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 750 ASN : amide:sc= -1.55 K(o=-1.6,f=-5.1!) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 15.209 2.014 -21.284 1.00 0.00 N ATOM 2 CA SER A 711 16.363 1.261 -21.842 1.00 0.00 C ATOM 3 C SER A 711 17.560 2.177 -22.072 1.00 0.00 C ATOM 4 O SER A 711 18.705 1.787 -21.842 1.00 0.00 O ATOM 5 CB SER A 711 15.931 0.616 -23.160 1.00 0.00 C ATOM 6 OG SER A 711 15.256 1.547 -23.989 1.00 0.00 O ATOM 0 HA SER A 711 16.669 0.495 -21.130 1.00 0.00 H new ATOM 0 HB2 SER A 711 16.806 0.228 -23.682 1.00 0.00 H new ATOM 0 HB3 SER A 711 15.279 -0.233 -22.956 1.00 0.00 H new ATOM 0 HG SER A 711 14.789 2.204 -23.431 1.00 0.00 H new ATOM 14 N LYS A 712 17.287 3.395 -22.527 1.00 0.00 N ATOM 15 CA LYS A 712 18.342 4.368 -22.786 1.00 0.00 C ATOM 16 C LYS A 712 18.386 5.430 -21.693 1.00 0.00 C ATOM 17 O LYS A 712 18.720 6.587 -21.952 1.00 0.00 O ATOM 18 CB LYS A 712 18.130 5.029 -24.149 1.00 0.00 C ATOM 19 CG LYS A 712 19.424 5.332 -24.887 1.00 0.00 C ATOM 20 CD LYS A 712 19.314 6.609 -25.705 1.00 0.00 C ATOM 21 CE LYS A 712 18.366 6.437 -26.881 1.00 0.00 C ATOM 22 NZ LYS A 712 17.007 6.965 -26.584 1.00 0.00 N ATOM 0 H LYS A 712 16.345 3.732 -22.724 1.00 0.00 H new ATOM 0 HA LYS A 712 19.295 3.840 -22.790 1.00 0.00 H new ATOM 0 HB2 LYS A 712 17.513 4.377 -24.767 1.00 0.00 H new ATOM 0 HB3 LYS A 712 17.575 5.957 -24.011 1.00 0.00 H new ATOM 0 HG2 LYS A 712 20.239 5.427 -24.170 1.00 0.00 H new ATOM 0 HG3 LYS A 712 19.673 4.498 -25.544 1.00 0.00 H new ATOM 0 HD2 LYS A 712 18.962 7.421 -25.068 1.00 0.00 H new ATOM 0 HD3 LYS A 712 20.300 6.895 -26.070 1.00 0.00 H new ATOM 0 HE2 LYS A 712 18.772 6.951 -27.752 1.00 0.00 H new ATOM 0 HE3 LYS A 712 18.296 5.380 -27.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 16.443 6.984 -27.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 16.541 6.351 -25.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 17.085 7.929 -26.201 1.00 0.00 H new ATOM 36 N LEU A 713 18.044 5.031 -20.474 1.00 0.00 N ATOM 37 CA LEU A 713 18.045 5.950 -19.341 1.00 0.00 C ATOM 38 C LEU A 713 18.370 5.215 -18.045 1.00 0.00 C ATOM 39 O LEU A 713 18.623 4.010 -18.048 1.00 0.00 O ATOM 40 CB LEU A 713 16.686 6.643 -19.220 1.00 0.00 C ATOM 41 CG LEU A 713 16.323 7.565 -20.385 1.00 0.00 C ATOM 42 CD1 LEU A 713 14.877 8.023 -20.273 1.00 0.00 C ATOM 43 CD2 LEU A 713 17.261 8.762 -20.427 1.00 0.00 C ATOM 0 H LEU A 713 17.762 4.078 -20.244 1.00 0.00 H new ATOM 0 HA LEU A 713 18.815 6.701 -19.515 1.00 0.00 H new ATOM 0 HB2 LEU A 713 15.913 5.880 -19.126 1.00 0.00 H new ATOM 0 HB3 LEU A 713 16.673 7.225 -18.298 1.00 0.00 H new ATOM 0 HG LEU A 713 16.434 7.007 -21.315 1.00 0.00 H new ATOM 0 HD11 LEU A 713 14.637 8.678 -21.110 1.00 0.00 H new ATOM 0 HD12 LEU A 713 14.218 7.155 -20.291 1.00 0.00 H new ATOM 0 HD13 LEU A 713 14.738 8.565 -19.337 1.00 0.00 H new ATOM 0 HD21 LEU A 713 16.989 9.408 -21.262 1.00 0.00 H new ATOM 0 HD22 LEU A 713 17.180 9.320 -19.494 1.00 0.00 H new ATOM 0 HD23 LEU A 713 18.287 8.416 -20.555 1.00 0.00 H new ATOM 55 N GLU A 714 18.362 5.948 -16.936 1.00 0.00 N ATOM 56 CA GLU A 714 18.657 5.367 -15.632 1.00 0.00 C ATOM 57 C GLU A 714 17.574 5.725 -14.619 1.00 0.00 C ATOM 58 O GLU A 714 16.932 6.770 -14.724 1.00 0.00 O ATOM 59 CB GLU A 714 20.019 5.850 -15.131 1.00 0.00 C ATOM 60 CG GLU A 714 20.507 5.116 -13.893 1.00 0.00 C ATOM 61 CD GLU A 714 21.998 4.840 -13.926 1.00 0.00 C ATOM 62 OE1 GLU A 714 22.401 3.840 -14.554 1.00 0.00 O ATOM 63 OE2 GLU A 714 22.760 5.627 -13.326 1.00 0.00 O ATOM 0 H GLU A 714 18.154 6.946 -16.915 1.00 0.00 H new ATOM 0 HA GLU A 714 18.682 4.283 -15.743 1.00 0.00 H new ATOM 0 HB2 GLU A 714 20.753 5.730 -15.928 1.00 0.00 H new ATOM 0 HB3 GLU A 714 19.959 6.916 -14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 714 20.271 5.707 -13.008 1.00 0.00 H new ATOM 0 HG3 GLU A 714 19.969 4.173 -13.799 1.00 0.00 H new ATOM 70 N GLY A 715 17.374 4.850 -13.639 1.00 0.00 N ATOM 71 CA GLY A 715 16.369 5.091 -12.621 1.00 0.00 C ATOM 72 C GLY A 715 16.866 4.767 -11.227 1.00 0.00 C ATOM 73 O GLY A 715 16.382 3.833 -10.588 1.00 0.00 O ATOM 0 H GLY A 715 17.891 3.977 -13.532 1.00 0.00 H new ATOM 0 HA2 GLY A 715 16.061 6.136 -12.660 1.00 0.00 H new ATOM 0 HA3 GLY A 715 15.486 4.490 -12.837 1.00 0.00 H new ATOM 77 N SER A 716 17.835 5.544 -10.751 1.00 0.00 N ATOM 78 CA SER A 716 18.397 5.337 -9.422 1.00 0.00 C ATOM 79 C SER A 716 17.756 6.274 -8.405 1.00 0.00 C ATOM 80 O SER A 716 16.899 7.089 -8.752 1.00 0.00 O ATOM 81 CB SER A 716 19.912 5.552 -9.447 1.00 0.00 C ATOM 82 OG SER A 716 20.549 4.820 -8.415 1.00 0.00 O ATOM 0 H SER A 716 18.246 6.322 -11.266 1.00 0.00 H new ATOM 0 HA SER A 716 18.187 4.310 -9.123 1.00 0.00 H new ATOM 0 HB2 SER A 716 20.310 5.244 -10.414 1.00 0.00 H new ATOM 0 HB3 SER A 716 20.134 6.613 -9.334 1.00 0.00 H new ATOM 0 HG SER A 716 21.516 4.973 -8.454 1.00 0.00 H new ATOM 88 N GLU A 717 18.174 6.155 -7.150 1.00 0.00 N ATOM 89 CA GLU A 717 17.639 6.993 -6.083 1.00 0.00 C ATOM 90 C GLU A 717 18.763 7.544 -5.209 1.00 0.00 C ATOM 91 O GLU A 717 19.933 7.221 -5.410 1.00 0.00 O ATOM 92 CB GLU A 717 16.655 6.197 -5.226 1.00 0.00 C ATOM 93 CG GLU A 717 17.273 4.977 -4.563 1.00 0.00 C ATOM 94 CD GLU A 717 16.350 3.773 -4.580 1.00 0.00 C ATOM 95 OE1 GLU A 717 15.290 3.831 -3.922 1.00 0.00 O ATOM 96 OE2 GLU A 717 16.688 2.775 -5.248 1.00 0.00 O ATOM 0 H GLU A 717 18.882 5.486 -6.846 1.00 0.00 H new ATOM 0 HA GLU A 717 17.115 7.831 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 717 16.246 6.851 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 717 15.820 5.877 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 717 18.203 4.724 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 717 17.529 5.219 -3.532 1.00 0.00 H new ATOM 103 N ASP A 718 18.397 8.377 -4.241 1.00 0.00 N ATOM 104 CA ASP A 718 19.373 8.973 -3.337 1.00 0.00 C ATOM 105 C ASP A 718 19.424 8.215 -2.014 1.00 0.00 C ATOM 106 O ASP A 718 19.685 8.799 -0.962 1.00 0.00 O ATOM 107 CB ASP A 718 19.032 10.443 -3.082 1.00 0.00 C ATOM 108 CG ASP A 718 17.618 10.629 -2.572 1.00 0.00 C ATOM 109 OD1 ASP A 718 17.061 9.668 -2.002 1.00 0.00 O ATOM 110 OD2 ASP A 718 17.066 11.737 -2.743 1.00 0.00 O ATOM 0 H ASP A 718 17.432 8.655 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 718 20.353 8.910 -3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 718 19.734 10.855 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 718 19.159 11.008 -4.005 1.00 0.00 H new ATOM 115 N SER A 719 19.171 6.912 -2.075 1.00 0.00 N ATOM 116 CA SER A 719 19.188 6.073 -0.883 1.00 0.00 C ATOM 117 C SER A 719 19.674 4.665 -1.214 1.00 0.00 C ATOM 118 O SER A 719 19.667 4.254 -2.374 1.00 0.00 O ATOM 119 CB SER A 719 17.792 6.010 -0.258 1.00 0.00 C ATOM 120 OG SER A 719 17.255 7.309 -0.077 1.00 0.00 O ATOM 0 H SER A 719 18.952 6.414 -2.938 1.00 0.00 H new ATOM 0 HA SER A 719 19.880 6.517 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 719 17.130 5.425 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 719 17.843 5.497 0.702 1.00 0.00 H new ATOM 0 HG SER A 719 16.363 7.241 0.322 1.00 0.00 H new ATOM 126 N LEU A 720 20.094 3.933 -0.187 1.00 0.00 N ATOM 127 CA LEU A 720 20.583 2.572 -0.369 1.00 0.00 C ATOM 128 C LEU A 720 19.637 1.563 0.274 1.00 0.00 C ATOM 129 O LEU A 720 19.221 0.594 -0.360 1.00 0.00 O ATOM 130 CB LEU A 720 21.984 2.425 0.228 1.00 0.00 C ATOM 131 CG LEU A 720 23.131 2.790 -0.717 1.00 0.00 C ATOM 132 CD1 LEU A 720 23.071 1.945 -1.979 1.00 0.00 C ATOM 133 CD2 LEU A 720 23.086 4.270 -1.063 1.00 0.00 C ATOM 0 H LEU A 720 20.105 4.260 0.779 1.00 0.00 H new ATOM 0 HA LEU A 720 20.629 2.371 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 720 22.052 3.053 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 720 22.117 1.394 0.555 1.00 0.00 H new ATOM 0 HG LEU A 720 24.074 2.584 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 720 23.894 2.218 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 720 23.152 0.891 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 720 22.124 2.119 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 720 23.909 4.512 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 720 22.139 4.501 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 720 23.178 4.860 -0.151 1.00 0.00 H new ATOM 145 N TYR A 721 19.303 1.798 1.539 1.00 0.00 N ATOM 146 CA TYR A 721 18.406 0.909 2.269 1.00 0.00 C ATOM 147 C TYR A 721 16.947 1.186 1.916 1.00 0.00 C ATOM 148 O TYR A 721 16.083 0.326 2.087 1.00 0.00 O ATOM 149 CB TYR A 721 18.614 1.063 3.777 1.00 0.00 C ATOM 150 CG TYR A 721 18.509 -0.237 4.541 1.00 0.00 C ATOM 151 CD1 TYR A 721 19.235 -1.355 4.151 1.00 0.00 C ATOM 152 CD2 TYR A 721 17.683 -0.346 5.652 1.00 0.00 C ATOM 153 CE1 TYR A 721 19.141 -2.545 4.846 1.00 0.00 C ATOM 154 CE2 TYR A 721 17.584 -1.534 6.353 1.00 0.00 C ATOM 155 CZ TYR A 721 18.315 -2.629 5.947 1.00 0.00 C ATOM 156 OH TYR A 721 18.218 -3.813 6.642 1.00 0.00 O ATOM 0 H TYR A 721 19.639 2.595 2.079 1.00 0.00 H new ATOM 0 HA TYR A 721 18.641 -0.115 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 721 19.596 1.501 3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 721 17.876 1.764 4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 721 19.884 -1.293 3.290 1.00 0.00 H new ATOM 0 HD2 TYR A 721 17.109 0.510 5.974 1.00 0.00 H new ATOM 0 HE1 TYR A 721 19.712 -3.405 4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 721 16.937 -1.603 7.215 1.00 0.00 H new ATOM 0 HH TYR A 721 17.595 -3.703 7.391 1.00 0.00 H new ATOM 166 N SER A 722 16.682 2.390 1.421 1.00 0.00 N ATOM 167 CA SER A 722 15.328 2.781 1.043 1.00 0.00 C ATOM 168 C SER A 722 14.743 1.814 0.016 1.00 0.00 C ATOM 169 O SER A 722 13.526 1.675 -0.094 1.00 0.00 O ATOM 170 CB SER A 722 15.326 4.203 0.479 1.00 0.00 C ATOM 171 OG SER A 722 14.034 4.781 0.555 1.00 0.00 O ATOM 0 H SER A 722 17.387 3.112 1.272 1.00 0.00 H new ATOM 0 HA SER A 722 14.706 2.749 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 722 16.036 4.818 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 722 15.660 4.186 -0.559 1.00 0.00 H new ATOM 0 HG SER A 722 13.462 4.397 -0.142 1.00 0.00 H new ATOM 177 N ASP A 723 15.615 1.147 -0.734 1.00 0.00 N ATOM 178 CA ASP A 723 15.177 0.192 -1.747 1.00 0.00 C ATOM 179 C ASP A 723 14.453 -0.985 -1.101 1.00 0.00 C ATOM 180 O ASP A 723 13.301 -1.272 -1.426 1.00 0.00 O ATOM 181 CB ASP A 723 16.374 -0.310 -2.557 1.00 0.00 C ATOM 182 CG ASP A 723 15.967 -0.863 -3.907 1.00 0.00 C ATOM 183 OD1 ASP A 723 15.686 -2.078 -3.992 1.00 0.00 O ATOM 184 OD2 ASP A 723 15.927 -0.083 -4.882 1.00 0.00 O ATOM 0 H ASP A 723 16.627 1.250 -0.660 1.00 0.00 H new ATOM 0 HA ASP A 723 14.484 0.700 -2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 723 17.081 0.507 -2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 723 16.893 -1.084 -1.992 1.00 0.00 H new ATOM 189 N TYR A 724 15.138 -1.659 -0.184 1.00 0.00 N ATOM 190 CA TYR A 724 14.565 -2.804 0.513 1.00 0.00 C ATOM 191 C TYR A 724 13.436 -2.359 1.440 1.00 0.00 C ATOM 192 O TYR A 724 12.480 -3.099 1.672 1.00 0.00 O ATOM 193 CB TYR A 724 15.657 -3.533 1.307 1.00 0.00 C ATOM 194 CG TYR A 724 15.146 -4.273 2.522 1.00 0.00 C ATOM 195 CD1 TYR A 724 14.924 -3.604 3.720 1.00 0.00 C ATOM 196 CD2 TYR A 724 14.881 -5.634 2.473 1.00 0.00 C ATOM 197 CE1 TYR A 724 14.453 -4.271 4.832 1.00 0.00 C ATOM 198 CE2 TYR A 724 14.408 -6.309 3.580 1.00 0.00 C ATOM 199 CZ TYR A 724 14.195 -5.623 4.759 1.00 0.00 C ATOM 200 OH TYR A 724 13.725 -6.293 5.865 1.00 0.00 O ATOM 0 H TYR A 724 16.093 -1.432 0.094 1.00 0.00 H new ATOM 0 HA TYR A 724 14.148 -3.490 -0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 724 16.159 -4.241 0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 724 16.406 -2.808 1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 724 15.124 -2.544 3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 724 15.048 -6.174 1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 724 14.287 -3.736 5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 724 14.206 -7.368 3.524 1.00 0.00 H new ATOM 0 HH TYR A 724 13.594 -7.239 5.644 1.00 0.00 H new ATOM 210 N VAL A 725 13.558 -1.146 1.971 1.00 0.00 N ATOM 211 CA VAL A 725 12.554 -0.601 2.875 1.00 0.00 C ATOM 212 C VAL A 725 11.328 -0.116 2.105 1.00 0.00 C ATOM 213 O VAL A 725 10.204 -0.182 2.603 1.00 0.00 O ATOM 214 CB VAL A 725 13.134 0.559 3.711 1.00 0.00 C ATOM 215 CG1 VAL A 725 12.048 1.246 4.528 1.00 0.00 C ATOM 216 CG2 VAL A 725 14.250 0.050 4.614 1.00 0.00 C ATOM 0 H VAL A 725 14.344 -0.522 1.790 1.00 0.00 H new ATOM 0 HA VAL A 725 12.252 -1.403 3.548 1.00 0.00 H new ATOM 0 HB VAL A 725 13.549 1.299 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 725 12.487 2.059 5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 725 11.288 1.647 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 725 11.591 0.525 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 725 14.651 0.878 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 725 13.855 -0.711 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 725 15.044 -0.381 4.004 1.00 0.00 H new ATOM 226 N ASP A 726 11.551 0.371 0.889 1.00 0.00 N ATOM 227 CA ASP A 726 10.465 0.867 0.053 1.00 0.00 C ATOM 228 C ASP A 726 9.486 -0.254 -0.286 1.00 0.00 C ATOM 229 O ASP A 726 8.305 -0.006 -0.532 1.00 0.00 O ATOM 230 CB ASP A 726 11.020 1.479 -1.234 1.00 0.00 C ATOM 231 CG ASP A 726 11.316 2.959 -1.089 1.00 0.00 C ATOM 232 OD1 ASP A 726 10.554 3.650 -0.381 1.00 0.00 O ATOM 233 OD2 ASP A 726 12.311 3.426 -1.682 1.00 0.00 O ATOM 0 H ASP A 726 12.475 0.433 0.461 1.00 0.00 H new ATOM 0 HA ASP A 726 9.933 1.637 0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 726 11.932 0.955 -1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 726 10.303 1.332 -2.042 1.00 0.00 H new ATOM 238 N VAL A 727 9.982 -1.486 -0.295 1.00 0.00 N ATOM 239 CA VAL A 727 9.151 -2.643 -0.604 1.00 0.00 C ATOM 240 C VAL A 727 8.158 -2.921 0.519 1.00 0.00 C ATOM 241 O VAL A 727 7.058 -3.421 0.280 1.00 0.00 O ATOM 242 CB VAL A 727 10.006 -3.902 -0.843 1.00 0.00 C ATOM 243 CG1 VAL A 727 9.137 -5.058 -1.315 1.00 0.00 C ATOM 244 CG2 VAL A 727 11.113 -3.617 -1.846 1.00 0.00 C ATOM 0 H VAL A 727 10.956 -1.709 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 727 8.606 -2.406 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 727 10.468 -4.186 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 727 9.759 -5.938 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 727 8.385 -5.281 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 727 8.643 -4.785 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 727 11.705 -4.519 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 727 10.674 -3.304 -2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 727 11.755 -2.823 -1.464 1.00 0.00 H new ATOM 254 N PHE A 728 8.552 -2.594 1.745 1.00 0.00 N ATOM 255 CA PHE A 728 7.697 -2.809 2.908 1.00 0.00 C ATOM 256 C PHE A 728 6.857 -1.571 3.201 1.00 0.00 C ATOM 257 O PHE A 728 5.734 -1.673 3.695 1.00 0.00 O ATOM 258 CB PHE A 728 8.542 -3.168 4.129 1.00 0.00 C ATOM 259 CG PHE A 728 9.246 -4.490 4.006 1.00 0.00 C ATOM 260 CD1 PHE A 728 10.221 -4.681 3.041 1.00 0.00 C ATOM 261 CD2 PHE A 728 8.932 -5.538 4.856 1.00 0.00 C ATOM 262 CE1 PHE A 728 10.871 -5.896 2.925 1.00 0.00 C ATOM 263 CE2 PHE A 728 9.578 -6.755 4.744 1.00 0.00 C ATOM 264 CZ PHE A 728 10.548 -6.934 3.777 1.00 0.00 C ATOM 0 H PHE A 728 9.459 -2.179 1.960 1.00 0.00 H new ATOM 0 HA PHE A 728 7.025 -3.637 2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 728 9.283 -2.385 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 728 7.901 -3.188 5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 728 10.476 -3.872 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 728 8.175 -5.403 5.614 1.00 0.00 H new ATOM 0 HE1 PHE A 728 11.630 -6.033 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 728 9.325 -7.565 5.412 1.00 0.00 H new ATOM 0 HZ PHE A 728 11.053 -7.884 3.687 1.00 0.00 H new ATOM 274 N TYR A 729 7.409 -0.400 2.896 1.00 0.00 N ATOM 275 CA TYR A 729 6.709 0.859 3.127 1.00 0.00 C ATOM 276 C TYR A 729 6.635 1.684 1.846 1.00 0.00 C ATOM 277 O TYR A 729 6.903 2.887 1.854 1.00 0.00 O ATOM 278 CB TYR A 729 7.411 1.658 4.227 1.00 0.00 C ATOM 279 CG TYR A 729 7.224 1.080 5.611 1.00 0.00 C ATOM 280 CD1 TYR A 729 6.013 1.202 6.280 1.00 0.00 C ATOM 281 CD2 TYR A 729 8.261 0.409 6.250 1.00 0.00 C ATOM 282 CE1 TYR A 729 5.839 0.674 7.545 1.00 0.00 C ATOM 283 CE2 TYR A 729 8.095 -0.123 7.515 1.00 0.00 C ATOM 284 CZ TYR A 729 6.883 0.013 8.158 1.00 0.00 C ATOM 285 OH TYR A 729 6.715 -0.515 9.416 1.00 0.00 O ATOM 0 H TYR A 729 8.338 -0.297 2.489 1.00 0.00 H new ATOM 0 HA TYR A 729 5.692 0.630 3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 729 8.477 1.707 4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 729 7.036 2.681 4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 729 5.193 1.719 5.803 1.00 0.00 H new ATOM 0 HD2 TYR A 729 9.212 0.302 5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 729 4.891 0.778 8.051 1.00 0.00 H new ATOM 0 HE2 TYR A 729 8.910 -0.642 7.997 1.00 0.00 H new ATOM 0 HH TYR A 729 7.546 -0.948 9.703 1.00 0.00 H new ATOM 295 N ASN A 730 6.271 1.031 0.748 1.00 0.00 N ATOM 296 CA ASN A 730 6.161 1.704 -0.540 1.00 0.00 C ATOM 297 C ASN A 730 5.128 2.826 -0.481 1.00 0.00 C ATOM 298 O ASN A 730 3.937 2.578 -0.298 1.00 0.00 O ATOM 299 CB ASN A 730 5.781 0.703 -1.633 1.00 0.00 C ATOM 300 CG ASN A 730 6.207 1.164 -3.012 1.00 0.00 C ATOM 301 OD1 ASN A 730 5.406 1.714 -3.770 1.00 0.00 O ATOM 302 ND2 ASN A 730 7.471 0.942 -3.346 1.00 0.00 N ATOM 0 H ASN A 730 6.047 0.036 0.725 1.00 0.00 H new ATOM 0 HA ASN A 730 7.132 2.139 -0.778 1.00 0.00 H new ATOM 0 HB2 ASN A 730 6.243 -0.260 -1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 730 4.702 0.549 -1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 730 7.815 1.230 -4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 730 8.100 0.483 -2.687 1.00 0.00 H new ATOM 309 N THR A 731 5.593 4.061 -0.640 1.00 0.00 N ATOM 310 CA THR A 731 4.710 5.221 -0.605 1.00 0.00 C ATOM 311 C THR A 731 4.170 5.535 -1.996 1.00 0.00 C ATOM 312 O THR A 731 4.855 6.150 -2.815 1.00 0.00 O ATOM 313 CB THR A 731 5.453 6.436 -0.047 1.00 0.00 C ATOM 314 OG1 THR A 731 6.452 6.036 0.873 1.00 0.00 O ATOM 315 CG2 THR A 731 4.545 7.420 0.660 1.00 0.00 C ATOM 0 H THR A 731 6.576 4.284 -0.794 1.00 0.00 H new ATOM 0 HA THR A 731 3.869 4.987 0.047 1.00 0.00 H new ATOM 0 HB THR A 731 5.891 6.929 -0.915 1.00 0.00 H new ATOM 0 HG1 THR A 731 6.916 6.828 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 731 5.135 8.258 1.032 1.00 0.00 H new ATOM 0 HG22 THR A 731 3.793 7.787 -0.038 1.00 0.00 H new ATOM 0 HG23 THR A 731 4.052 6.924 1.496 1.00 0.00 H new ATOM 323 N LYS A 732 2.940 5.108 -2.257 1.00 0.00 N ATOM 324 CA LYS A 732 2.305 5.343 -3.551 1.00 0.00 C ATOM 325 C LYS A 732 3.071 4.638 -4.669 1.00 0.00 C ATOM 326 O LYS A 732 4.298 4.541 -4.625 1.00 0.00 O ATOM 327 CB LYS A 732 2.222 6.844 -3.838 1.00 0.00 C ATOM 328 CG LYS A 732 0.866 7.291 -4.361 1.00 0.00 C ATOM 329 CD LYS A 732 0.588 8.744 -4.015 1.00 0.00 C ATOM 330 CE LYS A 732 -0.062 8.877 -2.648 1.00 0.00 C ATOM 331 NZ LYS A 732 -0.501 10.274 -2.373 1.00 0.00 N ATOM 0 H LYS A 732 2.361 4.597 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 732 1.296 4.933 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 732 2.448 7.393 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 732 2.988 7.109 -4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 732 0.831 7.160 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 732 0.085 6.659 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 732 1.521 9.308 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 732 -0.063 9.181 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 732 -0.921 8.209 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 732 0.643 8.560 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 -0.939 10.321 -1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 0.322 10.909 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 -1.193 10.568 -3.092 1.00 0.00 H new ATOM 345 N PRO A 733 2.357 4.135 -5.691 1.00 0.00 N ATOM 346 CA PRO A 733 2.979 3.439 -6.820 1.00 0.00 C ATOM 347 C PRO A 733 3.745 4.389 -7.735 1.00 0.00 C ATOM 348 O PRO A 733 3.158 5.265 -8.369 1.00 0.00 O ATOM 349 CB PRO A 733 1.787 2.831 -7.562 1.00 0.00 C ATOM 350 CG PRO A 733 0.641 3.719 -7.227 1.00 0.00 C ATOM 351 CD PRO A 733 0.889 4.206 -5.826 1.00 0.00 C ATOM 0 HA PRO A 733 3.714 2.705 -6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 733 1.963 2.801 -8.637 1.00 0.00 H new ATOM 0 HB3 PRO A 733 1.601 1.806 -7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 733 0.578 4.554 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 733 -0.303 3.178 -7.291 1.00 0.00 H new ATOM 0 HD2 PRO A 733 0.522 5.222 -5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 733 0.387 3.579 -5.089 1.00 0.00 H new ATOM 359 N TYR A 734 5.062 4.208 -7.797 1.00 0.00 N ATOM 360 CA TYR A 734 5.908 5.050 -8.634 1.00 0.00 C ATOM 361 C TYR A 734 6.260 4.341 -9.938 1.00 0.00 C ATOM 362 O TYR A 734 7.332 4.554 -10.503 1.00 0.00 O ATOM 363 CB TYR A 734 7.188 5.426 -7.884 1.00 0.00 C ATOM 364 CG TYR A 734 7.075 6.714 -7.102 1.00 0.00 C ATOM 365 CD1 TYR A 734 6.393 6.758 -5.893 1.00 0.00 C ATOM 366 CD2 TYR A 734 7.651 7.888 -7.573 1.00 0.00 C ATOM 367 CE1 TYR A 734 6.286 7.935 -5.176 1.00 0.00 C ATOM 368 CE2 TYR A 734 7.550 9.067 -6.860 1.00 0.00 C ATOM 369 CZ TYR A 734 6.867 9.086 -5.663 1.00 0.00 C ATOM 370 OH TYR A 734 6.764 10.259 -4.951 1.00 0.00 O ATOM 0 H TYR A 734 5.564 3.487 -7.278 1.00 0.00 H new ATOM 0 HA TYR A 734 5.353 5.958 -8.873 1.00 0.00 H new ATOM 0 HB2 TYR A 734 7.450 4.618 -7.201 1.00 0.00 H new ATOM 0 HB3 TYR A 734 8.005 5.516 -8.600 1.00 0.00 H new ATOM 0 HD1 TYR A 734 5.939 5.858 -5.507 1.00 0.00 H new ATOM 0 HD2 TYR A 734 8.186 7.878 -8.511 1.00 0.00 H new ATOM 0 HE1 TYR A 734 5.750 7.953 -4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 734 8.005 9.970 -7.239 1.00 0.00 H new ATOM 0 HH TYR A 734 7.229 10.975 -5.432 1.00 0.00 H new ATOM 380 N LYS A 735 5.348 3.498 -10.412 1.00 0.00 N ATOM 381 CA LYS A 735 5.560 2.759 -11.651 1.00 0.00 C ATOM 382 C LYS A 735 4.332 1.929 -12.008 1.00 0.00 C ATOM 383 O LYS A 735 4.448 0.809 -12.507 1.00 0.00 O ATOM 384 CB LYS A 735 6.787 1.851 -11.523 1.00 0.00 C ATOM 385 CG LYS A 735 7.662 1.831 -12.767 1.00 0.00 C ATOM 386 CD LYS A 735 7.416 0.584 -13.603 1.00 0.00 C ATOM 387 CE LYS A 735 7.566 0.871 -15.088 1.00 0.00 C ATOM 388 NZ LYS A 735 6.570 1.871 -15.564 1.00 0.00 N ATOM 0 H LYS A 735 4.455 3.310 -9.957 1.00 0.00 H new ATOM 0 HA LYS A 735 5.731 3.480 -12.450 1.00 0.00 H new ATOM 0 HB2 LYS A 735 7.385 2.180 -10.673 1.00 0.00 H new ATOM 0 HB3 LYS A 735 6.456 0.836 -11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 735 7.462 2.718 -13.368 1.00 0.00 H new ATOM 0 HG3 LYS A 735 8.711 1.873 -12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 735 8.118 -0.197 -13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 735 6.414 0.203 -13.404 1.00 0.00 H new ATOM 0 HE2 LYS A 735 8.573 1.238 -15.287 1.00 0.00 H new ATOM 0 HE3 LYS A 735 7.448 -0.055 -15.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 6.342 1.686 -16.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 5.705 1.799 -14.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 6.967 2.828 -15.472 1.00 0.00 H new ATOM 402 N HIS A 736 3.153 2.485 -11.748 1.00 0.00 N ATOM 403 CA HIS A 736 1.901 1.797 -12.042 1.00 0.00 C ATOM 404 C HIS A 736 0.704 2.685 -11.717 1.00 0.00 C ATOM 405 O HIS A 736 0.105 2.569 -10.647 1.00 0.00 O ATOM 406 CB HIS A 736 1.814 0.493 -11.249 1.00 0.00 C ATOM 407 CG HIS A 736 1.141 -0.618 -11.995 1.00 0.00 C ATOM 408 ND1 HIS A 736 0.609 -1.728 -11.374 1.00 0.00 N ATOM 409 CD2 HIS A 736 0.912 -0.784 -13.320 1.00 0.00 C ATOM 410 CE1 HIS A 736 0.085 -2.531 -12.284 1.00 0.00 C ATOM 411 NE2 HIS A 736 0.255 -1.980 -13.471 1.00 0.00 N ATOM 0 H HIS A 736 3.038 3.410 -11.334 1.00 0.00 H new ATOM 0 HA HIS A 736 1.882 1.568 -13.107 1.00 0.00 H new ATOM 0 HB2 HIS A 736 2.820 0.177 -10.973 1.00 0.00 H new ATOM 0 HB3 HIS A 736 1.272 0.677 -10.321 1.00 0.00 H new ATOM 0 HD1 HIS A 736 0.618 -1.902 -10.369 1.00 0.00 H new ATOM 0 HD2 HIS A 736 1.194 -0.103 -14.110 1.00 0.00 H new ATOM 0 HE1 HIS A 736 -0.399 -3.476 -12.089 1.00 0.00 H new ATOM 420 N ARG A 737 0.360 3.570 -12.647 1.00 0.00 N ATOM 421 CA ARG A 737 -0.767 4.476 -12.459 1.00 0.00 C ATOM 422 C ARG A 737 -2.092 3.726 -12.547 1.00 0.00 C ATOM 423 O ARG A 737 -3.032 4.016 -11.808 1.00 0.00 O ATOM 424 CB ARG A 737 -0.731 5.593 -13.504 1.00 0.00 C ATOM 425 CG ARG A 737 -1.852 6.606 -13.352 1.00 0.00 C ATOM 426 CD ARG A 737 -2.313 7.135 -14.700 1.00 0.00 C ATOM 427 NE ARG A 737 -1.399 8.142 -15.236 1.00 0.00 N ATOM 428 CZ ARG A 737 -1.389 8.531 -16.509 1.00 0.00 C ATOM 429 NH1 ARG A 737 -2.240 8.003 -17.378 1.00 0.00 N ATOM 430 NH2 ARG A 737 -0.525 9.453 -16.912 1.00 0.00 N ATOM 0 H ARG A 737 0.845 3.679 -13.538 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.684 4.914 -11.464 1.00 0.00 H new ATOM 0 HB2 ARG A 737 0.226 6.110 -13.437 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -0.785 5.150 -14.499 1.00 0.00 H new ATOM 0 HG2 ARG A 737 -2.693 6.144 -12.835 1.00 0.00 H new ATOM 0 HG3 ARG A 737 -1.512 7.435 -12.732 1.00 0.00 H new ATOM 0 HD2 ARG A 737 -2.395 6.308 -15.405 1.00 0.00 H new ATOM 0 HD3 ARG A 737 -3.309 7.567 -14.599 1.00 0.00 H new ATOM 0 HE ARG A 737 -0.730 8.572 -14.597 1.00 0.00 H new ATOM 0 HH11 ARG A 737 -2.907 7.295 -17.072 1.00 0.00 H new ATOM 0 HH12 ARG A 737 -2.227 8.305 -18.352 1.00 0.00 H new ATOM 0 HH21 ARG A 737 0.131 9.863 -16.247 1.00 0.00 H new ATOM 0 HH22 ARG A 737 -0.516 9.752 -17.887 1.00 0.00 H new ATOM 444 N ASP A 738 -2.157 2.758 -13.455 1.00 0.00 N ATOM 445 CA ASP A 738 -3.366 1.963 -13.641 1.00 0.00 C ATOM 446 C ASP A 738 -3.737 1.227 -12.356 1.00 0.00 C ATOM 447 O ASP A 738 -4.914 0.983 -12.087 1.00 0.00 O ATOM 448 CB ASP A 738 -3.173 0.959 -14.778 1.00 0.00 C ATOM 449 CG ASP A 738 -4.443 0.742 -15.578 1.00 0.00 C ATOM 450 OD1 ASP A 738 -5.541 0.904 -15.005 1.00 0.00 O ATOM 451 OD2 ASP A 738 -4.339 0.409 -16.777 1.00 0.00 O ATOM 0 H ASP A 738 -1.387 2.505 -14.074 1.00 0.00 H new ATOM 0 HA ASP A 738 -4.179 2.641 -13.899 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -2.384 1.313 -15.442 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -2.839 0.007 -14.366 1.00 0.00 H new ATOM 456 N ASP A 739 -2.727 0.879 -11.567 1.00 0.00 N ATOM 457 CA ASP A 739 -2.948 0.171 -10.311 1.00 0.00 C ATOM 458 C ASP A 739 -3.822 0.992 -9.369 1.00 0.00 C ATOM 459 O ASP A 739 -4.846 0.513 -8.881 1.00 0.00 O ATOM 460 CB ASP A 739 -1.611 -0.146 -9.638 1.00 0.00 C ATOM 461 CG ASP A 739 -1.622 -1.489 -8.933 1.00 0.00 C ATOM 462 OD1 ASP A 739 -1.531 -2.524 -9.627 1.00 0.00 O ATOM 463 OD2 ASP A 739 -1.722 -1.505 -7.689 1.00 0.00 O ATOM 0 H ASP A 739 -1.748 1.075 -11.774 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.465 -0.762 -10.536 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -0.819 -0.139 -10.387 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -1.375 0.637 -8.918 1.00 0.00 H new ATOM 468 N ARG A 740 -3.412 2.231 -9.118 1.00 0.00 N ATOM 469 CA ARG A 740 -4.158 3.118 -8.233 1.00 0.00 C ATOM 470 C ARG A 740 -5.482 3.529 -8.868 1.00 0.00 C ATOM 471 O ARG A 740 -6.495 3.668 -8.182 1.00 0.00 O ATOM 472 CB ARG A 740 -3.329 4.360 -7.903 1.00 0.00 C ATOM 473 CG ARG A 740 -3.527 4.862 -6.482 1.00 0.00 C ATOM 474 CD ARG A 740 -3.418 6.377 -6.407 1.00 0.00 C ATOM 475 NE ARG A 740 -3.614 6.873 -5.047 1.00 0.00 N ATOM 476 CZ ARG A 740 -3.884 8.144 -4.752 1.00 0.00 C ATOM 477 NH1 ARG A 740 -3.991 9.048 -5.718 1.00 0.00 N ATOM 478 NH2 ARG A 740 -4.047 8.510 -3.489 1.00 0.00 N ATOM 0 H ARG A 740 -2.568 2.643 -9.515 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.370 2.577 -7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.274 4.134 -8.056 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.589 5.156 -8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -4.505 4.548 -6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -2.782 4.410 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -2.438 6.688 -6.769 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -4.159 6.827 -7.067 1.00 0.00 H new ATOM 0 HE ARG A 740 -3.540 6.207 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -3.866 8.771 -6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -4.198 10.020 -5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -3.966 7.819 -2.743 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -4.254 9.483 -3.263 1.00 0.00 H new ATOM 492 N LEU A 741 -5.469 3.720 -10.183 1.00 0.00 N ATOM 493 CA LEU A 741 -6.672 4.112 -10.907 1.00 0.00 C ATOM 494 C LEU A 741 -7.761 3.056 -10.752 1.00 0.00 C ATOM 495 O LEU A 741 -8.938 3.382 -10.593 1.00 0.00 O ATOM 496 CB LEU A 741 -6.355 4.327 -12.389 1.00 0.00 C ATOM 497 CG LEU A 741 -6.179 5.788 -12.808 1.00 0.00 C ATOM 498 CD1 LEU A 741 -5.139 6.472 -11.934 1.00 0.00 C ATOM 499 CD2 LEU A 741 -5.787 5.878 -14.276 1.00 0.00 C ATOM 0 H LEU A 741 -4.641 3.610 -10.768 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.035 5.049 -10.485 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.443 3.783 -12.632 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.156 3.888 -12.984 1.00 0.00 H new ATOM 0 HG LEU A 741 -7.131 6.302 -12.674 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -5.027 7.510 -12.247 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -5.460 6.439 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -4.183 5.958 -12.035 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -5.666 6.924 -14.557 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.847 5.349 -14.435 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -6.566 5.426 -14.889 1.00 0.00 H new ATOM 511 N LEU A 742 -7.360 1.790 -10.792 1.00 0.00 N ATOM 512 CA LEU A 742 -8.303 0.686 -10.649 1.00 0.00 C ATOM 513 C LEU A 742 -9.044 0.781 -9.321 1.00 0.00 C ATOM 514 O LEU A 742 -10.229 0.459 -9.236 1.00 0.00 O ATOM 515 CB LEU A 742 -7.571 -0.655 -10.747 1.00 0.00 C ATOM 516 CG LEU A 742 -7.294 -1.140 -12.171 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.124 -2.111 -12.185 1.00 0.00 C ATOM 518 CD2 LEU A 742 -8.536 -1.790 -12.761 1.00 0.00 C ATOM 0 H LEU A 742 -6.390 1.503 -10.922 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.031 0.751 -11.458 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.622 -0.573 -10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.161 -1.412 -10.230 1.00 0.00 H new ATOM 0 HG LEU A 742 -7.031 -0.279 -12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -5.941 -2.446 -13.206 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -5.233 -1.613 -11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -6.358 -2.971 -11.558 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -8.322 -2.130 -13.774 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -8.828 -2.642 -12.147 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -9.349 -1.065 -12.785 1.00 0.00 H new ATOM 530 N GLN A 743 -8.338 1.229 -8.288 1.00 0.00 N ATOM 531 CA GLN A 743 -8.933 1.371 -6.966 1.00 0.00 C ATOM 532 C GLN A 743 -10.078 2.377 -6.996 1.00 0.00 C ATOM 533 O GLN A 743 -11.158 2.120 -6.464 1.00 0.00 O ATOM 534 CB GLN A 743 -7.876 1.810 -5.950 1.00 0.00 C ATOM 535 CG GLN A 743 -7.196 0.651 -5.240 1.00 0.00 C ATOM 536 CD GLN A 743 -6.146 -0.024 -6.101 1.00 0.00 C ATOM 537 OE1 GLN A 743 -4.955 0.264 -5.985 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.585 -0.927 -6.970 1.00 0.00 N ATOM 0 H GLN A 743 -7.356 1.499 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.330 0.402 -6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.120 2.407 -6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.344 2.456 -5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.731 1.014 -4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -7.947 -0.083 -4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.582 -1.133 -7.031 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -5.925 -1.414 -7.576 1.00 0.00 H new ATOM 547 N ALA A 744 -9.835 3.526 -7.621 1.00 0.00 N ATOM 548 CA ALA A 744 -10.845 4.569 -7.720 1.00 0.00 C ATOM 549 C ALA A 744 -11.972 4.154 -8.660 1.00 0.00 C ATOM 550 O ALA A 744 -13.150 4.278 -8.325 1.00 0.00 O ATOM 551 CB ALA A 744 -10.216 5.873 -8.189 1.00 0.00 C ATOM 0 H ALA A 744 -8.946 3.756 -8.066 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.271 4.722 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -10.984 6.643 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.452 6.185 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.761 5.726 -9.168 1.00 0.00 H new ATOM 557 N LEU A 745 -11.604 3.659 -9.837 1.00 0.00 N ATOM 558 CA LEU A 745 -12.587 3.224 -10.822 1.00 0.00 C ATOM 559 C LEU A 745 -13.435 2.087 -10.264 1.00 0.00 C ATOM 560 O LEU A 745 -14.658 2.082 -10.410 1.00 0.00 O ATOM 561 CB LEU A 745 -11.890 2.773 -12.110 1.00 0.00 C ATOM 562 CG LEU A 745 -10.877 3.768 -12.685 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.726 3.034 -13.357 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.558 4.708 -13.668 1.00 0.00 C ATOM 0 H LEU A 745 -10.634 3.549 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.238 4.068 -11.051 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.379 1.830 -11.917 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.650 2.575 -12.866 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.471 4.360 -11.865 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.018 3.758 -13.759 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.222 2.401 -12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.112 2.416 -14.168 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -10.825 5.409 -14.068 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -11.990 4.130 -14.484 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.347 5.260 -13.157 1.00 0.00 H new ATOM 576 N MET A 746 -12.779 1.126 -9.621 1.00 0.00 N ATOM 577 CA MET A 746 -13.473 -0.014 -9.037 1.00 0.00 C ATOM 578 C MET A 746 -14.316 0.418 -7.842 1.00 0.00 C ATOM 579 O MET A 746 -15.349 -0.185 -7.549 1.00 0.00 O ATOM 580 CB MET A 746 -12.469 -1.085 -8.608 1.00 0.00 C ATOM 581 CG MET A 746 -11.757 -1.755 -9.772 1.00 0.00 C ATOM 582 SD MET A 746 -12.772 -3.009 -10.578 1.00 0.00 S ATOM 583 CE MET A 746 -11.716 -4.447 -10.430 1.00 0.00 C ATOM 0 H MET A 746 -11.767 1.115 -9.492 1.00 0.00 H new ATOM 0 HA MET A 746 -14.136 -0.432 -9.795 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.726 -0.632 -7.951 1.00 0.00 H new ATOM 0 HB3 MET A 746 -12.989 -1.845 -8.025 1.00 0.00 H new ATOM 0 HG2 MET A 746 -11.473 -0.998 -10.503 1.00 0.00 H new ATOM 0 HG3 MET A 746 -10.836 -2.214 -9.414 1.00 0.00 H new ATOM 0 HE1 MET A 746 -12.207 -5.308 -10.884 1.00 0.00 H new ATOM 0 HE2 MET A 746 -10.771 -4.258 -10.939 1.00 0.00 H new ATOM 0 HE3 MET A 746 -11.526 -4.652 -9.376 1.00 0.00 H new ATOM 593 N ASP A 747 -13.870 1.465 -7.155 1.00 0.00 N ATOM 594 CA ASP A 747 -14.587 1.976 -5.992 1.00 0.00 C ATOM 595 C ASP A 747 -15.987 2.441 -6.377 1.00 0.00 C ATOM 596 O ASP A 747 -16.953 2.197 -5.654 1.00 0.00 O ATOM 597 CB ASP A 747 -13.810 3.130 -5.355 1.00 0.00 C ATOM 598 CG ASP A 747 -14.469 3.638 -4.087 1.00 0.00 C ATOM 599 OD1 ASP A 747 -14.683 2.826 -3.162 1.00 0.00 O ATOM 600 OD2 ASP A 747 -14.770 4.849 -4.017 1.00 0.00 O ATOM 0 H ASP A 747 -13.017 1.975 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.680 1.166 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.796 2.801 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.727 3.948 -6.071 1.00 0.00 H new ATOM 605 N ILE A 748 -16.089 3.110 -7.521 1.00 0.00 N ATOM 606 CA ILE A 748 -17.371 3.607 -8.002 1.00 0.00 C ATOM 607 C ILE A 748 -18.337 2.461 -8.279 1.00 0.00 C ATOM 608 O ILE A 748 -19.533 2.564 -8.006 1.00 0.00 O ATOM 609 CB ILE A 748 -17.203 4.444 -9.286 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.137 5.523 -9.085 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.530 5.072 -9.689 1.00 0.00 C ATOM 612 CD1 ILE A 748 -16.421 6.444 -7.917 1.00 0.00 C ATOM 0 H ILE A 748 -15.299 3.320 -8.131 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.780 4.240 -7.215 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.877 3.784 -10.089 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -15.170 5.043 -8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -16.057 6.118 -9.995 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.394 5.659 -10.597 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.264 4.287 -9.871 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.884 5.720 -8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -15.624 7.183 -7.835 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -17.372 6.952 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -16.471 5.861 -6.998 1.00 0.00 H new ATOM 624 N LEU A 749 -17.811 1.368 -8.822 1.00 0.00 N ATOM 625 CA LEU A 749 -18.627 0.202 -9.134 1.00 0.00 C ATOM 626 C LEU A 749 -19.256 -0.373 -7.871 1.00 0.00 C ATOM 627 O LEU A 749 -20.394 -0.843 -7.889 1.00 0.00 O ATOM 628 CB LEU A 749 -17.783 -0.867 -9.829 1.00 0.00 C ATOM 629 CG LEU A 749 -18.519 -1.685 -10.892 1.00 0.00 C ATOM 630 CD1 LEU A 749 -19.697 -2.424 -10.276 1.00 0.00 C ATOM 631 CD2 LEU A 749 -18.985 -0.785 -12.027 1.00 0.00 C ATOM 0 H LEU A 749 -16.823 1.266 -9.055 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.425 0.517 -9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -16.924 -0.384 -10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -17.394 -1.549 -9.073 1.00 0.00 H new ATOM 0 HG LEU A 749 -17.828 -2.423 -11.300 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -20.208 -3.000 -11.047 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -19.337 -3.097 -9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -20.391 -1.704 -9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -19.507 -1.383 -12.775 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -19.660 -0.025 -11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -18.122 -0.302 -12.486 1.00 0.00 H new ATOM 643 N ASN A 750 -18.508 -0.330 -6.773 1.00 0.00 N ATOM 644 CA ASN A 750 -18.991 -0.845 -5.499 1.00 0.00 C ATOM 645 C ASN A 750 -20.134 0.011 -4.967 1.00 0.00 C ATOM 646 O ASN A 750 -21.223 -0.491 -4.690 1.00 0.00 O ATOM 647 CB ASN A 750 -17.852 -0.889 -4.479 1.00 0.00 C ATOM 648 CG ASN A 750 -18.155 -1.810 -3.313 1.00 0.00 C ATOM 649 OD1 ASN A 750 -19.020 -1.520 -2.487 1.00 0.00 O ATOM 650 ND2 ASN A 750 -17.443 -2.928 -3.242 1.00 0.00 N ATOM 0 H ASN A 750 -17.565 0.057 -6.741 1.00 0.00 H new ATOM 0 HA ASN A 750 -19.363 -1.857 -5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.939 -1.221 -4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.664 0.117 -4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -17.603 -3.587 -2.480 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -16.736 -3.128 -3.949 1.00 0.00 H new ATOM 657 N GLU A 751 -19.878 1.308 -4.825 1.00 0.00 N ATOM 658 CA GLU A 751 -20.885 2.238 -4.326 1.00 0.00 C ATOM 659 C GLU A 751 -21.394 1.808 -2.953 1.00 0.00 C ATOM 660 O GLU A 751 -22.547 2.054 -2.602 1.00 0.00 O ATOM 661 CB GLU A 751 -22.053 2.333 -5.310 1.00 0.00 C ATOM 662 CG GLU A 751 -21.915 3.472 -6.309 1.00 0.00 C ATOM 663 CD GLU A 751 -23.216 4.218 -6.525 1.00 0.00 C ATOM 664 OE1 GLU A 751 -24.262 3.554 -6.684 1.00 0.00 O ATOM 665 OE2 GLU A 751 -23.190 5.467 -6.537 1.00 0.00 O ATOM 0 H GLU A 751 -18.981 1.739 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 751 -20.420 3.219 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -22.137 1.392 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -22.979 2.462 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -21.155 4.169 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -21.566 3.074 -7.262 1.00 0.00 H new ATOM 672 N GLU A 752 -20.523 1.166 -2.180 1.00 0.00 N ATOM 673 CA GLU A 752 -20.882 0.702 -0.845 1.00 0.00 C ATOM 674 C GLU A 752 -19.659 0.156 -0.113 1.00 0.00 C ATOM 675 O GLU A 752 -19.740 -0.849 0.591 1.00 0.00 O ATOM 676 CB GLU A 752 -21.968 -0.373 -0.931 1.00 0.00 C ATOM 677 CG GLU A 752 -23.379 0.176 -0.793 1.00 0.00 C ATOM 678 CD GLU A 752 -24.307 -0.779 -0.069 1.00 0.00 C ATOM 679 OE1 GLU A 752 -24.708 -1.793 -0.677 1.00 0.00 O ATOM 680 OE2 GLU A 752 -24.635 -0.511 1.107 1.00 0.00 O ATOM 0 H GLU A 752 -19.564 0.956 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 752 -21.269 1.551 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -21.880 -0.891 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -21.797 -1.114 -0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -23.346 1.123 -0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -23.781 0.387 -1.784 1.00 0.00 H new ATOM 687 N ASN A 753 -18.525 0.826 -0.288 1.00 0.00 N ATOM 688 CA ASN A 753 -17.284 0.410 0.355 1.00 0.00 C ATOM 689 C ASN A 753 -16.592 1.595 1.021 1.00 0.00 C ATOM 690 O ASN A 753 -16.429 1.565 2.259 1.00 0.00 O ATOM 691 CB ASN A 753 -16.346 -0.234 -0.667 1.00 0.00 C ATOM 692 CG ASN A 753 -15.366 -1.198 -0.026 1.00 0.00 C ATOM 693 OD1 ASN A 753 -15.730 -2.310 0.356 1.00 0.00 O ATOM 694 ND2 ASN A 753 -14.114 -0.773 0.095 1.00 0.00 N ATOM 695 OXT ASN A 753 -16.217 2.542 0.298 1.00 0.00 O ATOM 0 H ASN A 753 -18.440 1.659 -0.870 1.00 0.00 H new ATOM 0 HA ASN A 753 -17.531 -0.323 1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -16.936 -0.764 -1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -15.794 0.546 -1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -13.409 -1.376 0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -13.857 0.157 -0.236 1.00 0.00 H new TER 702 ASN A 753