USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=10 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 Set 1.1: A 730 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 731 THR OG1 : rot 180:sc= 0 USER MOD Single : A 711 SER OG : rot 180:sc= 0 USER MOD Single : A 712 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 721 TYR OH : rot 180:sc= 0 USER MOD Single : A 722 SER OG : rot 180:sc= 0.0528 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 732 LYS NZ :NH3+ -164:sc= -0.113 (180deg=-0.456) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 743 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 746 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 750 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 753 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 25.201 7.404 -53.363 1.00 0.00 N ATOM 2 CA SER A 711 25.208 8.888 -53.292 1.00 0.00 C ATOM 3 C SER A 711 24.608 9.381 -51.979 1.00 0.00 C ATOM 4 O SER A 711 23.606 8.848 -51.504 1.00 0.00 O ATOM 5 CB SER A 711 24.410 9.438 -54.476 1.00 0.00 C ATOM 6 OG SER A 711 24.977 10.641 -54.960 1.00 0.00 O ATOM 0 HA SER A 711 26.238 9.242 -53.336 1.00 0.00 H new ATOM 0 HB2 SER A 711 24.384 8.698 -55.276 1.00 0.00 H new ATOM 0 HB3 SER A 711 23.378 9.616 -54.172 1.00 0.00 H new ATOM 0 HG SER A 711 24.449 10.970 -55.717 1.00 0.00 H new ATOM 14 N LYS A 712 25.231 10.402 -51.396 1.00 0.00 N ATOM 15 CA LYS A 712 24.758 10.966 -50.138 1.00 0.00 C ATOM 16 C LYS A 712 25.002 12.471 -50.092 1.00 0.00 C ATOM 17 O LYS A 712 26.013 12.930 -49.560 1.00 0.00 O ATOM 18 CB LYS A 712 25.455 10.289 -48.957 1.00 0.00 C ATOM 19 CG LYS A 712 24.562 10.114 -47.741 1.00 0.00 C ATOM 20 CD LYS A 712 23.942 8.727 -47.698 1.00 0.00 C ATOM 21 CE LYS A 712 22.795 8.659 -46.703 1.00 0.00 C ATOM 22 NZ LYS A 712 21.472 8.809 -47.371 1.00 0.00 N ATOM 0 H LYS A 712 26.063 10.854 -51.775 1.00 0.00 H new ATOM 0 HA LYS A 712 23.685 10.787 -50.069 1.00 0.00 H new ATOM 0 HB2 LYS A 712 25.819 9.312 -49.273 1.00 0.00 H new ATOM 0 HB3 LYS A 712 26.327 10.878 -48.675 1.00 0.00 H new ATOM 0 HG2 LYS A 712 25.144 10.282 -46.834 1.00 0.00 H new ATOM 0 HG3 LYS A 712 23.773 10.866 -47.757 1.00 0.00 H new ATOM 0 HD2 LYS A 712 23.580 8.458 -48.690 1.00 0.00 H new ATOM 0 HD3 LYS A 712 24.703 7.995 -47.427 1.00 0.00 H new ATOM 0 HE2 LYS A 712 22.829 7.707 -46.174 1.00 0.00 H new ATOM 0 HE3 LYS A 712 22.916 9.443 -45.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 20.716 8.757 -46.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 21.430 9.729 -47.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 21.346 8.046 -48.066 1.00 0.00 H new ATOM 36 N LEU A 713 24.069 13.235 -50.652 1.00 0.00 N ATOM 37 CA LEU A 713 24.183 14.688 -50.674 1.00 0.00 C ATOM 38 C LEU A 713 23.772 15.287 -49.332 1.00 0.00 C ATOM 39 O LEU A 713 22.767 14.886 -48.745 1.00 0.00 O ATOM 40 CB LEU A 713 23.317 15.272 -51.792 1.00 0.00 C ATOM 41 CG LEU A 713 23.748 14.890 -53.210 1.00 0.00 C ATOM 42 CD1 LEU A 713 22.702 15.330 -54.221 1.00 0.00 C ATOM 43 CD2 LEU A 713 25.101 15.502 -53.538 1.00 0.00 C ATOM 0 H LEU A 713 23.226 12.871 -51.096 1.00 0.00 H new ATOM 0 HA LEU A 713 25.226 14.942 -50.861 1.00 0.00 H new ATOM 0 HB2 LEU A 713 22.288 14.947 -51.641 1.00 0.00 H new ATOM 0 HB3 LEU A 713 23.324 16.359 -51.707 1.00 0.00 H new ATOM 0 HG LEU A 713 23.840 13.805 -53.263 1.00 0.00 H new ATOM 0 HD11 LEU A 713 23.025 15.050 -55.224 1.00 0.00 H new ATOM 0 HD12 LEU A 713 21.752 14.844 -53.997 1.00 0.00 H new ATOM 0 HD13 LEU A 713 22.577 16.412 -54.168 1.00 0.00 H new ATOM 0 HD21 LEU A 713 25.392 15.220 -54.550 1.00 0.00 H new ATOM 0 HD22 LEU A 713 25.036 16.588 -53.468 1.00 0.00 H new ATOM 0 HD23 LEU A 713 25.846 15.137 -52.831 1.00 0.00 H new ATOM 55 N GLU A 714 24.555 16.248 -48.854 1.00 0.00 N ATOM 56 CA GLU A 714 24.272 16.903 -47.583 1.00 0.00 C ATOM 57 C GLU A 714 24.282 15.895 -46.438 1.00 0.00 C ATOM 58 O GLU A 714 23.397 15.046 -46.337 1.00 0.00 O ATOM 59 CB GLU A 714 22.918 17.612 -47.640 1.00 0.00 C ATOM 60 CG GLU A 714 22.883 18.919 -46.864 1.00 0.00 C ATOM 61 CD GLU A 714 21.530 19.186 -46.233 1.00 0.00 C ATOM 62 OE1 GLU A 714 20.514 19.114 -46.955 1.00 0.00 O ATOM 63 OE2 GLU A 714 21.487 19.467 -45.018 1.00 0.00 O ATOM 0 H GLU A 714 25.391 16.590 -49.328 1.00 0.00 H new ATOM 0 HA GLU A 714 25.053 17.641 -47.402 1.00 0.00 H new ATOM 0 HB2 GLU A 714 22.665 17.810 -48.681 1.00 0.00 H new ATOM 0 HB3 GLU A 714 22.151 16.945 -47.247 1.00 0.00 H new ATOM 0 HG2 GLU A 714 23.645 18.895 -46.085 1.00 0.00 H new ATOM 0 HG3 GLU A 714 23.137 19.741 -47.533 1.00 0.00 H new ATOM 70 N GLY A 715 25.290 15.994 -45.577 1.00 0.00 N ATOM 71 CA GLY A 715 25.398 15.085 -44.451 1.00 0.00 C ATOM 72 C GLY A 715 25.797 15.792 -43.171 1.00 0.00 C ATOM 73 O GLY A 715 26.974 15.829 -42.815 1.00 0.00 O ATOM 0 H GLY A 715 26.035 16.688 -45.639 1.00 0.00 H new ATOM 0 HA2 GLY A 715 24.443 14.581 -44.302 1.00 0.00 H new ATOM 0 HA3 GLY A 715 26.133 14.313 -44.680 1.00 0.00 H new ATOM 77 N SER A 716 24.812 16.355 -42.478 1.00 0.00 N ATOM 78 CA SER A 716 25.066 17.066 -41.230 1.00 0.00 C ATOM 79 C SER A 716 24.060 16.659 -40.159 1.00 0.00 C ATOM 80 O SER A 716 23.064 17.348 -39.935 1.00 0.00 O ATOM 81 CB SER A 716 25.006 18.577 -41.457 1.00 0.00 C ATOM 82 OG SER A 716 26.072 19.012 -42.282 1.00 0.00 O ATOM 0 H SER A 716 23.832 16.333 -42.759 1.00 0.00 H new ATOM 0 HA SER A 716 26.065 16.799 -40.885 1.00 0.00 H new ATOM 0 HB2 SER A 716 24.054 18.841 -41.918 1.00 0.00 H new ATOM 0 HB3 SER A 716 25.050 19.094 -40.498 1.00 0.00 H new ATOM 0 HG SER A 716 26.010 19.981 -42.413 1.00 0.00 H new ATOM 88 N GLU A 717 24.326 15.537 -39.498 1.00 0.00 N ATOM 89 CA GLU A 717 23.443 15.039 -38.449 1.00 0.00 C ATOM 90 C GLU A 717 23.942 15.463 -37.071 1.00 0.00 C ATOM 91 O GLU A 717 25.063 15.953 -36.929 1.00 0.00 O ATOM 92 CB GLU A 717 23.341 13.514 -38.521 1.00 0.00 C ATOM 93 CG GLU A 717 24.689 12.813 -38.520 1.00 0.00 C ATOM 94 CD GLU A 717 25.108 12.355 -39.903 1.00 0.00 C ATOM 95 OE1 GLU A 717 25.707 13.166 -40.641 1.00 0.00 O ATOM 96 OE2 GLU A 717 24.837 11.185 -40.249 1.00 0.00 O ATOM 0 H GLU A 717 25.146 14.955 -39.670 1.00 0.00 H new ATOM 0 HA GLU A 717 22.454 15.470 -38.606 1.00 0.00 H new ATOM 0 HB2 GLU A 717 22.755 13.157 -37.674 1.00 0.00 H new ATOM 0 HB3 GLU A 717 22.798 13.237 -39.424 1.00 0.00 H new ATOM 0 HG2 GLU A 717 25.445 13.488 -38.120 1.00 0.00 H new ATOM 0 HG3 GLU A 717 24.646 11.952 -37.853 1.00 0.00 H new ATOM 103 N ASP A 718 23.103 15.272 -36.059 1.00 0.00 N ATOM 104 CA ASP A 718 23.458 15.634 -34.692 1.00 0.00 C ATOM 105 C ASP A 718 23.822 14.396 -33.878 1.00 0.00 C ATOM 106 O ASP A 718 22.945 13.655 -33.435 1.00 0.00 O ATOM 107 CB ASP A 718 22.303 16.379 -34.021 1.00 0.00 C ATOM 108 CG ASP A 718 22.399 17.881 -34.207 1.00 0.00 C ATOM 109 OD1 ASP A 718 23.480 18.445 -33.941 1.00 0.00 O ATOM 110 OD2 ASP A 718 21.391 18.493 -34.618 1.00 0.00 O ATOM 0 H ASP A 718 22.172 14.868 -36.160 1.00 0.00 H new ATOM 0 HA ASP A 718 24.328 16.289 -34.732 1.00 0.00 H new ATOM 0 HB2 ASP A 718 21.358 16.024 -34.432 1.00 0.00 H new ATOM 0 HB3 ASP A 718 22.295 16.147 -32.956 1.00 0.00 H new ATOM 115 N SER A 719 25.119 14.179 -33.687 1.00 0.00 N ATOM 116 CA SER A 719 25.597 13.031 -32.925 1.00 0.00 C ATOM 117 C SER A 719 26.938 13.336 -32.265 1.00 0.00 C ATOM 118 O SER A 719 27.804 12.468 -32.166 1.00 0.00 O ATOM 119 CB SER A 719 25.731 11.808 -33.836 1.00 0.00 C ATOM 120 OG SER A 719 26.738 12.008 -34.813 1.00 0.00 O ATOM 0 H SER A 719 25.857 14.782 -34.049 1.00 0.00 H new ATOM 0 HA SER A 719 24.868 12.816 -32.144 1.00 0.00 H new ATOM 0 HB2 SER A 719 25.970 10.929 -33.237 1.00 0.00 H new ATOM 0 HB3 SER A 719 24.778 11.610 -34.327 1.00 0.00 H new ATOM 0 HG SER A 719 26.805 11.212 -35.381 1.00 0.00 H new ATOM 126 N LEU A 720 27.102 14.575 -31.816 1.00 0.00 N ATOM 127 CA LEU A 720 28.337 14.996 -31.164 1.00 0.00 C ATOM 128 C LEU A 720 28.229 14.857 -29.649 1.00 0.00 C ATOM 129 O LEU A 720 28.991 14.115 -29.027 1.00 0.00 O ATOM 130 CB LEU A 720 28.666 16.444 -31.533 1.00 0.00 C ATOM 131 CG LEU A 720 30.157 16.770 -31.608 1.00 0.00 C ATOM 132 CD1 LEU A 720 30.854 16.388 -30.312 1.00 0.00 C ATOM 133 CD2 LEU A 720 30.798 16.057 -32.790 1.00 0.00 C ATOM 0 H LEU A 720 26.395 15.306 -31.891 1.00 0.00 H new ATOM 0 HA LEU A 720 29.141 14.348 -31.513 1.00 0.00 H new ATOM 0 HB2 LEU A 720 28.212 16.669 -32.498 1.00 0.00 H new ATOM 0 HB3 LEU A 720 28.202 17.104 -30.800 1.00 0.00 H new ATOM 0 HG LEU A 720 30.268 17.845 -31.752 1.00 0.00 H new ATOM 0 HD11 LEU A 720 31.915 16.628 -30.385 1.00 0.00 H new ATOM 0 HD12 LEU A 720 30.413 16.943 -29.484 1.00 0.00 H new ATOM 0 HD13 LEU A 720 30.735 15.319 -30.136 1.00 0.00 H new ATOM 0 HD21 LEU A 720 31.860 16.300 -32.829 1.00 0.00 H new ATOM 0 HD22 LEU A 720 30.676 14.980 -32.675 1.00 0.00 H new ATOM 0 HD23 LEU A 720 30.318 16.380 -33.714 1.00 0.00 H new ATOM 145 N TYR A 721 27.278 15.574 -29.061 1.00 0.00 N ATOM 146 CA TYR A 721 27.069 15.531 -27.618 1.00 0.00 C ATOM 147 C TYR A 721 25.774 14.802 -27.268 1.00 0.00 C ATOM 148 O TYR A 721 25.599 14.331 -26.144 1.00 0.00 O ATOM 149 CB TYR A 721 27.042 16.948 -27.043 1.00 0.00 C ATOM 150 CG TYR A 721 28.396 17.444 -26.591 1.00 0.00 C ATOM 151 CD1 TYR A 721 29.241 16.633 -25.845 1.00 0.00 C ATOM 152 CD2 TYR A 721 28.830 18.725 -26.913 1.00 0.00 C ATOM 153 CE1 TYR A 721 30.481 17.085 -25.431 1.00 0.00 C ATOM 154 CE2 TYR A 721 30.068 19.183 -26.503 1.00 0.00 C ATOM 155 CZ TYR A 721 30.889 18.360 -25.762 1.00 0.00 C ATOM 156 OH TYR A 721 32.122 18.812 -25.352 1.00 0.00 O ATOM 0 H TYR A 721 26.639 16.192 -29.561 1.00 0.00 H new ATOM 0 HA TYR A 721 27.900 14.981 -27.176 1.00 0.00 H new ATOM 0 HB2 TYR A 721 26.648 17.629 -27.797 1.00 0.00 H new ATOM 0 HB3 TYR A 721 26.354 16.975 -26.198 1.00 0.00 H new ATOM 0 HD1 TYR A 721 28.925 15.634 -25.584 1.00 0.00 H new ATOM 0 HD2 TYR A 721 28.189 19.373 -27.493 1.00 0.00 H new ATOM 0 HE1 TYR A 721 31.127 16.442 -24.851 1.00 0.00 H new ATOM 0 HE2 TYR A 721 30.391 20.181 -26.762 1.00 0.00 H new ATOM 0 HH TYR A 721 32.256 19.730 -25.669 1.00 0.00 H new ATOM 166 N SER A 722 24.869 14.712 -28.238 1.00 0.00 N ATOM 167 CA SER A 722 23.589 14.039 -28.032 1.00 0.00 C ATOM 168 C SER A 722 23.792 12.612 -27.530 1.00 0.00 C ATOM 169 O SER A 722 22.941 12.063 -26.834 1.00 0.00 O ATOM 170 CB SER A 722 22.782 14.026 -29.332 1.00 0.00 C ATOM 171 OG SER A 722 23.030 15.191 -30.098 1.00 0.00 O ATOM 0 H SER A 722 24.997 15.096 -29.174 1.00 0.00 H new ATOM 0 HA SER A 722 23.036 14.593 -27.273 1.00 0.00 H new ATOM 0 HB2 SER A 722 23.040 13.142 -29.915 1.00 0.00 H new ATOM 0 HB3 SER A 722 21.719 13.957 -29.103 1.00 0.00 H new ATOM 0 HG SER A 722 22.504 15.157 -30.924 1.00 0.00 H new ATOM 177 N ASP A 723 24.927 12.017 -27.887 1.00 0.00 N ATOM 178 CA ASP A 723 25.238 10.655 -27.467 1.00 0.00 C ATOM 179 C ASP A 723 25.331 10.568 -25.948 1.00 0.00 C ATOM 180 O ASP A 723 24.631 9.778 -25.316 1.00 0.00 O ATOM 181 CB ASP A 723 26.551 10.191 -28.100 1.00 0.00 C ATOM 182 CG ASP A 723 26.629 8.682 -28.230 1.00 0.00 C ATOM 183 OD1 ASP A 723 26.058 8.139 -29.199 1.00 0.00 O ATOM 184 OD2 ASP A 723 27.261 8.043 -27.362 1.00 0.00 O ATOM 0 H ASP A 723 25.644 12.456 -28.464 1.00 0.00 H new ATOM 0 HA ASP A 723 24.433 10.002 -27.803 1.00 0.00 H new ATOM 0 HB2 ASP A 723 26.656 10.644 -29.086 1.00 0.00 H new ATOM 0 HB3 ASP A 723 27.387 10.545 -27.497 1.00 0.00 H new ATOM 189 N TYR A 724 26.202 11.387 -25.368 1.00 0.00 N ATOM 190 CA TYR A 724 26.390 11.412 -23.924 1.00 0.00 C ATOM 191 C TYR A 724 25.147 11.967 -23.229 1.00 0.00 C ATOM 192 O TYR A 724 24.828 11.580 -22.105 1.00 0.00 O ATOM 193 CB TYR A 724 27.624 12.251 -23.571 1.00 0.00 C ATOM 194 CG TYR A 724 27.557 12.899 -22.205 1.00 0.00 C ATOM 195 CD1 TYR A 724 26.874 14.093 -22.019 1.00 0.00 C ATOM 196 CD2 TYR A 724 28.170 12.314 -21.106 1.00 0.00 C ATOM 197 CE1 TYR A 724 26.803 14.687 -20.775 1.00 0.00 C ATOM 198 CE2 TYR A 724 28.106 12.901 -19.858 1.00 0.00 C ATOM 199 CZ TYR A 724 27.421 14.089 -19.697 1.00 0.00 C ATOM 200 OH TYR A 724 27.353 14.677 -18.455 1.00 0.00 O ATOM 0 H TYR A 724 26.791 12.045 -25.879 1.00 0.00 H new ATOM 0 HA TYR A 724 26.547 10.392 -23.574 1.00 0.00 H new ATOM 0 HB2 TYR A 724 28.508 11.615 -23.617 1.00 0.00 H new ATOM 0 HB3 TYR A 724 27.750 13.028 -24.325 1.00 0.00 H new ATOM 0 HD1 TYR A 724 26.390 14.565 -22.861 1.00 0.00 H new ATOM 0 HD2 TYR A 724 28.706 11.384 -21.229 1.00 0.00 H new ATOM 0 HE1 TYR A 724 26.266 15.615 -20.647 1.00 0.00 H new ATOM 0 HE2 TYR A 724 28.589 12.434 -19.013 1.00 0.00 H new ATOM 0 HH TYR A 724 27.840 14.127 -17.806 1.00 0.00 H new ATOM 210 N VAL A 725 24.454 12.875 -23.905 1.00 0.00 N ATOM 211 CA VAL A 725 23.252 13.488 -23.355 1.00 0.00 C ATOM 212 C VAL A 725 22.066 12.530 -23.428 1.00 0.00 C ATOM 213 O VAL A 725 21.183 12.553 -22.570 1.00 0.00 O ATOM 214 CB VAL A 725 22.908 14.795 -24.099 1.00 0.00 C ATOM 215 CG1 VAL A 725 21.562 15.347 -23.650 1.00 0.00 C ATOM 216 CG2 VAL A 725 24.011 15.825 -23.890 1.00 0.00 C ATOM 0 H VAL A 725 24.705 13.204 -24.837 1.00 0.00 H new ATOM 0 HA VAL A 725 23.454 13.720 -22.309 1.00 0.00 H new ATOM 0 HB VAL A 725 22.835 14.572 -25.163 1.00 0.00 H new ATOM 0 HG11 VAL A 725 21.347 16.268 -24.192 1.00 0.00 H new ATOM 0 HG12 VAL A 725 20.781 14.615 -23.856 1.00 0.00 H new ATOM 0 HG13 VAL A 725 21.592 15.554 -22.580 1.00 0.00 H new ATOM 0 HG21 VAL A 725 23.757 16.743 -24.420 1.00 0.00 H new ATOM 0 HG22 VAL A 725 24.114 16.037 -22.826 1.00 0.00 H new ATOM 0 HG23 VAL A 725 24.953 15.433 -24.275 1.00 0.00 H new ATOM 226 N ASP A 726 22.050 11.688 -24.456 1.00 0.00 N ATOM 227 CA ASP A 726 20.972 10.720 -24.636 1.00 0.00 C ATOM 228 C ASP A 726 20.886 9.776 -23.441 1.00 0.00 C ATOM 229 O ASP A 726 19.819 9.241 -23.136 1.00 0.00 O ATOM 230 CB ASP A 726 21.184 9.921 -25.923 1.00 0.00 C ATOM 231 CG ASP A 726 20.053 8.947 -26.191 1.00 0.00 C ATOM 232 OD1 ASP A 726 20.102 7.818 -25.658 1.00 0.00 O ATOM 233 OD2 ASP A 726 19.119 9.313 -26.935 1.00 0.00 O ATOM 0 H ASP A 726 22.771 11.656 -25.177 1.00 0.00 H new ATOM 0 HA ASP A 726 20.032 11.268 -24.711 1.00 0.00 H new ATOM 0 HB2 ASP A 726 21.275 10.609 -26.764 1.00 0.00 H new ATOM 0 HB3 ASP A 726 22.124 9.373 -25.857 1.00 0.00 H new ATOM 238 N VAL A 727 22.014 9.574 -22.769 1.00 0.00 N ATOM 239 CA VAL A 727 22.067 8.694 -21.608 1.00 0.00 C ATOM 240 C VAL A 727 21.124 9.173 -20.507 1.00 0.00 C ATOM 241 O VAL A 727 20.676 8.385 -19.674 1.00 0.00 O ATOM 242 CB VAL A 727 23.494 8.599 -21.038 1.00 0.00 C ATOM 243 CG1 VAL A 727 23.570 7.526 -19.962 1.00 0.00 C ATOM 244 CG2 VAL A 727 24.496 8.322 -22.148 1.00 0.00 C ATOM 0 H VAL A 727 22.905 10.009 -23.009 1.00 0.00 H new ATOM 0 HA VAL A 727 21.752 7.707 -21.948 1.00 0.00 H new ATOM 0 HB VAL A 727 23.747 9.556 -20.582 1.00 0.00 H new ATOM 0 HG11 VAL A 727 24.586 7.474 -19.571 1.00 0.00 H new ATOM 0 HG12 VAL A 727 22.882 7.773 -19.153 1.00 0.00 H new ATOM 0 HG13 VAL A 727 23.296 6.562 -20.390 1.00 0.00 H new ATOM 0 HG21 VAL A 727 25.499 8.258 -21.725 1.00 0.00 H new ATOM 0 HG22 VAL A 727 24.247 7.380 -22.636 1.00 0.00 H new ATOM 0 HG23 VAL A 727 24.461 9.129 -22.879 1.00 0.00 H new ATOM 254 N PHE A 728 20.825 10.469 -20.509 1.00 0.00 N ATOM 255 CA PHE A 728 19.936 11.048 -19.511 1.00 0.00 C ATOM 256 C PHE A 728 18.477 10.905 -19.932 1.00 0.00 C ATOM 257 O PHE A 728 17.583 10.814 -19.092 1.00 0.00 O ATOM 258 CB PHE A 728 20.271 12.525 -19.295 1.00 0.00 C ATOM 259 CG PHE A 728 21.619 12.748 -18.668 1.00 0.00 C ATOM 260 CD1 PHE A 728 22.779 12.473 -19.375 1.00 0.00 C ATOM 261 CD2 PHE A 728 21.724 13.233 -17.374 1.00 0.00 C ATOM 262 CE1 PHE A 728 24.020 12.678 -18.802 1.00 0.00 C ATOM 263 CE2 PHE A 728 22.964 13.439 -16.796 1.00 0.00 C ATOM 264 CZ PHE A 728 24.112 13.162 -17.510 1.00 0.00 C ATOM 0 H PHE A 728 21.186 11.136 -21.191 1.00 0.00 H new ATOM 0 HA PHE A 728 20.081 10.507 -18.576 1.00 0.00 H new ATOM 0 HB2 PHE A 728 20.235 13.042 -20.254 1.00 0.00 H new ATOM 0 HB3 PHE A 728 19.506 12.974 -18.662 1.00 0.00 H new ATOM 0 HD1 PHE A 728 22.712 12.095 -20.384 1.00 0.00 H new ATOM 0 HD2 PHE A 728 20.829 13.452 -16.811 1.00 0.00 H new ATOM 0 HE1 PHE A 728 24.917 12.460 -19.363 1.00 0.00 H new ATOM 0 HE2 PHE A 728 23.034 13.816 -15.786 1.00 0.00 H new ATOM 0 HZ PHE A 728 25.081 13.323 -17.060 1.00 0.00 H new ATOM 274 N TYR A 729 18.244 10.885 -21.241 1.00 0.00 N ATOM 275 CA TYR A 729 16.893 10.751 -21.773 1.00 0.00 C ATOM 276 C TYR A 729 16.601 9.306 -22.167 1.00 0.00 C ATOM 277 O TYR A 729 15.821 9.048 -23.083 1.00 0.00 O ATOM 278 CB TYR A 729 16.707 11.669 -22.983 1.00 0.00 C ATOM 279 CG TYR A 729 16.189 13.045 -22.626 1.00 0.00 C ATOM 280 CD1 TYR A 729 16.784 13.791 -21.617 1.00 0.00 C ATOM 281 CD2 TYR A 729 15.105 13.596 -23.298 1.00 0.00 C ATOM 282 CE1 TYR A 729 16.314 15.048 -21.287 1.00 0.00 C ATOM 283 CE2 TYR A 729 14.629 14.853 -22.975 1.00 0.00 C ATOM 284 CZ TYR A 729 15.237 15.574 -21.969 1.00 0.00 C ATOM 285 OH TYR A 729 14.765 16.826 -21.644 1.00 0.00 O ATOM 0 H TYR A 729 18.972 10.960 -21.951 1.00 0.00 H new ATOM 0 HA TYR A 729 16.192 11.043 -20.991 1.00 0.00 H new ATOM 0 HB2 TYR A 729 17.661 11.772 -23.500 1.00 0.00 H new ATOM 0 HB3 TYR A 729 16.015 11.199 -23.682 1.00 0.00 H new ATOM 0 HD1 TYR A 729 17.628 13.382 -21.081 1.00 0.00 H new ATOM 0 HD2 TYR A 729 14.626 13.033 -24.086 1.00 0.00 H new ATOM 0 HE1 TYR A 729 16.788 15.615 -20.499 1.00 0.00 H new ATOM 0 HE2 TYR A 729 13.786 15.268 -23.507 1.00 0.00 H new ATOM 0 HH TYR A 729 14.003 17.048 -22.219 1.00 0.00 H new ATOM 295 N ASN A 730 17.235 8.369 -21.470 1.00 0.00 N ATOM 296 CA ASN A 730 17.043 6.950 -21.748 1.00 0.00 C ATOM 297 C ASN A 730 15.601 6.534 -21.478 1.00 0.00 C ATOM 298 O ASN A 730 14.866 6.170 -22.398 1.00 0.00 O ATOM 299 CB ASN A 730 17.996 6.109 -20.898 1.00 0.00 C ATOM 300 CG ASN A 730 18.201 4.717 -21.464 1.00 0.00 C ATOM 301 OD1 ASN A 730 18.915 4.535 -22.450 1.00 0.00 O ATOM 302 ND2 ASN A 730 17.572 3.726 -20.842 1.00 0.00 N ATOM 0 H ASN A 730 17.885 8.566 -20.709 1.00 0.00 H new ATOM 0 HA ASN A 730 17.261 6.779 -22.802 1.00 0.00 H new ATOM 0 HB2 ASN A 730 18.959 6.615 -20.828 1.00 0.00 H new ATOM 0 HB3 ASN A 730 17.602 6.032 -19.885 1.00 0.00 H new ATOM 0 HD21 ASN A 730 17.671 2.768 -21.179 1.00 0.00 H new ATOM 0 HD22 ASN A 730 16.990 3.923 -20.028 1.00 0.00 H new ATOM 309 N THR A 731 15.200 6.587 -20.212 1.00 0.00 N ATOM 310 CA THR A 731 13.846 6.214 -19.820 1.00 0.00 C ATOM 311 C THR A 731 13.147 7.369 -19.111 1.00 0.00 C ATOM 312 O THR A 731 13.699 8.464 -18.994 1.00 0.00 O ATOM 313 CB THR A 731 13.877 4.985 -18.910 1.00 0.00 C ATOM 314 OG1 THR A 731 15.075 4.950 -18.155 1.00 0.00 O ATOM 315 CG2 THR A 731 13.772 3.678 -19.667 1.00 0.00 C ATOM 0 H THR A 731 15.795 6.885 -19.439 1.00 0.00 H new ATOM 0 HA THR A 731 13.286 5.974 -20.724 1.00 0.00 H new ATOM 0 HB THR A 731 13.006 5.082 -18.262 1.00 0.00 H new ATOM 0 HG1 THR A 731 15.075 4.158 -17.578 1.00 0.00 H new ATOM 0 HG21 THR A 731 13.800 2.846 -18.963 1.00 0.00 H new ATOM 0 HG22 THR A 731 12.834 3.653 -20.221 1.00 0.00 H new ATOM 0 HG23 THR A 731 14.607 3.592 -20.363 1.00 0.00 H new ATOM 323 N LYS A 732 11.931 7.118 -18.638 1.00 0.00 N ATOM 324 CA LYS A 732 11.155 8.136 -17.940 1.00 0.00 C ATOM 325 C LYS A 732 11.034 7.804 -16.452 1.00 0.00 C ATOM 326 O LYS A 732 10.169 7.026 -16.054 1.00 0.00 O ATOM 327 CB LYS A 732 9.762 8.259 -18.560 1.00 0.00 C ATOM 328 CG LYS A 732 9.211 9.675 -18.539 1.00 0.00 C ATOM 329 CD LYS A 732 10.005 10.595 -19.452 1.00 0.00 C ATOM 330 CE LYS A 732 9.416 11.997 -19.478 1.00 0.00 C ATOM 331 NZ LYS A 732 7.975 11.987 -19.856 1.00 0.00 N ATOM 0 H LYS A 732 11.461 6.217 -18.726 1.00 0.00 H new ATOM 0 HA LYS A 732 11.677 9.088 -18.041 1.00 0.00 H new ATOM 0 HB2 LYS A 732 9.800 7.908 -19.591 1.00 0.00 H new ATOM 0 HB3 LYS A 732 9.076 7.603 -18.025 1.00 0.00 H new ATOM 0 HG2 LYS A 732 8.166 9.665 -18.850 1.00 0.00 H new ATOM 0 HG3 LYS A 732 9.236 10.061 -17.520 1.00 0.00 H new ATOM 0 HD2 LYS A 732 11.040 10.640 -19.114 1.00 0.00 H new ATOM 0 HD3 LYS A 732 10.017 10.185 -20.462 1.00 0.00 H new ATOM 0 HE2 LYS A 732 9.531 12.457 -18.497 1.00 0.00 H new ATOM 0 HE3 LYS A 732 9.973 12.612 -20.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 7.680 12.947 -20.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 7.831 11.342 -20.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 7.406 11.665 -19.047 1.00 0.00 H new ATOM 345 N PRO A 733 11.904 8.391 -15.611 1.00 0.00 N ATOM 346 CA PRO A 733 11.886 8.150 -14.164 1.00 0.00 C ATOM 347 C PRO A 733 10.505 8.369 -13.556 1.00 0.00 C ATOM 348 O PRO A 733 9.536 8.625 -14.270 1.00 0.00 O ATOM 349 CB PRO A 733 12.879 9.179 -13.618 1.00 0.00 C ATOM 350 CG PRO A 733 13.803 9.453 -14.754 1.00 0.00 C ATOM 351 CD PRO A 733 12.972 9.333 -16.000 1.00 0.00 C ATOM 0 HA PRO A 733 12.143 7.119 -13.921 1.00 0.00 H new ATOM 0 HB2 PRO A 733 12.370 10.087 -13.294 1.00 0.00 H new ATOM 0 HB3 PRO A 733 13.418 8.790 -12.754 1.00 0.00 H new ATOM 0 HG2 PRO A 733 14.240 10.448 -14.671 1.00 0.00 H new ATOM 0 HG3 PRO A 733 14.629 8.742 -14.766 1.00 0.00 H new ATOM 0 HD2 PRO A 733 12.565 10.297 -16.306 1.00 0.00 H new ATOM 0 HD3 PRO A 733 13.557 8.953 -16.838 1.00 0.00 H new ATOM 359 N TYR A 734 10.424 8.268 -12.232 1.00 0.00 N ATOM 360 CA TYR A 734 9.162 8.455 -11.522 1.00 0.00 C ATOM 361 C TYR A 734 8.192 7.314 -11.824 1.00 0.00 C ATOM 362 O TYR A 734 7.902 6.489 -10.957 1.00 0.00 O ATOM 363 CB TYR A 734 8.527 9.794 -11.902 1.00 0.00 C ATOM 364 CG TYR A 734 7.887 10.514 -10.736 1.00 0.00 C ATOM 365 CD1 TYR A 734 8.637 10.878 -9.625 1.00 0.00 C ATOM 366 CD2 TYR A 734 6.534 10.829 -10.746 1.00 0.00 C ATOM 367 CE1 TYR A 734 8.057 11.536 -8.557 1.00 0.00 C ATOM 368 CE2 TYR A 734 5.947 11.487 -9.683 1.00 0.00 C ATOM 369 CZ TYR A 734 6.712 11.838 -8.590 1.00 0.00 C ATOM 370 OH TYR A 734 6.131 12.493 -7.529 1.00 0.00 O ATOM 0 H TYR A 734 11.219 8.057 -11.628 1.00 0.00 H new ATOM 0 HA TYR A 734 9.375 8.455 -10.453 1.00 0.00 H new ATOM 0 HB2 TYR A 734 9.290 10.437 -12.340 1.00 0.00 H new ATOM 0 HB3 TYR A 734 7.773 9.624 -12.671 1.00 0.00 H new ATOM 0 HD1 TYR A 734 9.691 10.643 -9.595 1.00 0.00 H new ATOM 0 HD2 TYR A 734 5.931 10.555 -11.599 1.00 0.00 H new ATOM 0 HE1 TYR A 734 8.654 11.812 -7.701 1.00 0.00 H new ATOM 0 HE2 TYR A 734 4.894 11.726 -9.707 1.00 0.00 H new ATOM 0 HH TYR A 734 5.178 12.631 -7.712 1.00 0.00 H new ATOM 380 N LYS A 735 7.698 7.272 -13.058 1.00 0.00 N ATOM 381 CA LYS A 735 6.763 6.232 -13.473 1.00 0.00 C ATOM 382 C LYS A 735 5.471 6.307 -12.666 1.00 0.00 C ATOM 383 O LYS A 735 5.486 6.213 -11.439 1.00 0.00 O ATOM 384 CB LYS A 735 7.399 4.850 -13.312 1.00 0.00 C ATOM 385 CG LYS A 735 6.682 3.757 -14.087 1.00 0.00 C ATOM 386 CD LYS A 735 7.650 2.688 -14.570 1.00 0.00 C ATOM 387 CE LYS A 735 7.037 1.301 -14.480 1.00 0.00 C ATOM 388 NZ LYS A 735 5.911 1.127 -15.438 1.00 0.00 N ATOM 0 H LYS A 735 7.930 7.946 -13.788 1.00 0.00 H new ATOM 0 HA LYS A 735 6.523 6.394 -14.524 1.00 0.00 H new ATOM 0 HB2 LYS A 735 8.437 4.896 -13.641 1.00 0.00 H new ATOM 0 HB3 LYS A 735 7.411 4.586 -12.255 1.00 0.00 H new ATOM 0 HG2 LYS A 735 5.921 3.301 -13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 735 6.166 4.194 -14.942 1.00 0.00 H new ATOM 0 HD2 LYS A 735 7.937 2.894 -15.601 1.00 0.00 H new ATOM 0 HD3 LYS A 735 8.561 2.724 -13.973 1.00 0.00 H new ATOM 0 HE2 LYS A 735 7.803 0.552 -14.681 1.00 0.00 H new ATOM 0 HE3 LYS A 735 6.680 1.127 -13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 5.521 0.168 -15.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 5.168 1.825 -15.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 6.256 1.267 -16.409 1.00 0.00 H new ATOM 402 N HIS A 736 4.353 6.478 -13.366 1.00 0.00 N ATOM 403 CA HIS A 736 3.051 6.565 -12.714 1.00 0.00 C ATOM 404 C HIS A 736 2.539 5.179 -12.332 1.00 0.00 C ATOM 405 O HIS A 736 3.218 4.175 -12.546 1.00 0.00 O ATOM 406 CB HIS A 736 2.044 7.256 -13.634 1.00 0.00 C ATOM 407 CG HIS A 736 2.146 8.750 -13.619 1.00 0.00 C ATOM 408 ND1 HIS A 736 3.173 9.441 -14.227 1.00 0.00 N ATOM 409 CD2 HIS A 736 1.342 9.689 -13.065 1.00 0.00 C ATOM 410 CE1 HIS A 736 2.998 10.738 -14.047 1.00 0.00 C ATOM 411 NE2 HIS A 736 1.893 10.914 -13.346 1.00 0.00 N ATOM 0 H HIS A 736 4.323 6.559 -14.382 1.00 0.00 H new ATOM 0 HA HIS A 736 3.167 7.153 -11.804 1.00 0.00 H new ATOM 0 HB2 HIS A 736 2.192 6.900 -14.654 1.00 0.00 H new ATOM 0 HB3 HIS A 736 1.036 6.966 -13.338 1.00 0.00 H new ATOM 0 HD2 HIS A 736 0.436 9.507 -12.506 1.00 0.00 H new ATOM 0 HE1 HIS A 736 3.648 11.520 -14.411 1.00 0.00 H new ATOM 0 HE2 HIS A 736 1.511 11.815 -13.060 1.00 0.00 H new ATOM 420 N ARG A 737 1.338 5.133 -11.765 1.00 0.00 N ATOM 421 CA ARG A 737 0.735 3.871 -11.353 1.00 0.00 C ATOM 422 C ARG A 737 -0.673 3.729 -11.920 1.00 0.00 C ATOM 423 O ARG A 737 -1.574 4.492 -11.572 1.00 0.00 O ATOM 424 CB ARG A 737 0.695 3.776 -9.826 1.00 0.00 C ATOM 425 CG ARG A 737 1.963 3.200 -9.219 1.00 0.00 C ATOM 426 CD ARG A 737 2.025 1.691 -9.385 1.00 0.00 C ATOM 427 NE ARG A 737 1.183 0.997 -8.413 1.00 0.00 N ATOM 428 CZ ARG A 737 1.532 0.790 -7.147 1.00 0.00 C ATOM 429 NH1 ARG A 737 2.702 1.221 -6.693 1.00 0.00 N ATOM 430 NH2 ARG A 737 0.707 0.149 -6.328 1.00 0.00 N ATOM 0 H ARG A 737 0.763 5.955 -11.580 1.00 0.00 H new ATOM 0 HA ARG A 737 1.348 3.059 -11.745 1.00 0.00 H new ATOM 0 HB2 ARG A 737 0.523 4.770 -9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -0.153 3.157 -9.531 1.00 0.00 H new ATOM 0 HG2 ARG A 737 2.833 3.655 -9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 737 2.008 3.453 -8.160 1.00 0.00 H new ATOM 0 HD2 ARG A 737 1.709 1.424 -10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 737 3.057 1.356 -9.275 1.00 0.00 H new ATOM 0 HE ARG A 737 0.275 0.651 -8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 737 3.340 1.715 -7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 737 2.963 1.058 -5.720 1.00 0.00 H new ATOM 0 HH21 ARG A 737 -0.194 -0.184 -6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 737 0.974 -0.010 -5.357 1.00 0.00 H new ATOM 444 N ASP A 738 -0.856 2.746 -12.796 1.00 0.00 N ATOM 445 CA ASP A 738 -2.156 2.503 -13.412 1.00 0.00 C ATOM 446 C ASP A 738 -3.067 1.720 -12.471 1.00 0.00 C ATOM 447 O ASP A 738 -4.289 1.863 -12.515 1.00 0.00 O ATOM 448 CB ASP A 738 -1.985 1.739 -14.726 1.00 0.00 C ATOM 449 CG ASP A 738 -1.079 2.465 -15.702 1.00 0.00 C ATOM 450 OD1 ASP A 738 -1.581 3.332 -16.448 1.00 0.00 O ATOM 451 OD2 ASP A 738 0.133 2.165 -15.721 1.00 0.00 O ATOM 0 H ASP A 738 -0.121 2.105 -13.095 1.00 0.00 H new ATOM 0 HA ASP A 738 -2.619 3.468 -13.617 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -1.574 0.751 -14.518 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -2.962 1.587 -15.185 1.00 0.00 H new ATOM 456 N ASP A 739 -2.465 0.894 -11.621 1.00 0.00 N ATOM 457 CA ASP A 739 -3.223 0.090 -10.670 1.00 0.00 C ATOM 458 C ASP A 739 -4.065 0.974 -9.755 1.00 0.00 C ATOM 459 O ASP A 739 -5.141 0.576 -9.309 1.00 0.00 O ATOM 460 CB ASP A 739 -2.277 -0.774 -9.834 1.00 0.00 C ATOM 461 CG ASP A 739 -2.911 -2.087 -9.415 1.00 0.00 C ATOM 462 OD1 ASP A 739 -3.889 -2.508 -10.067 1.00 0.00 O ATOM 463 OD2 ASP A 739 -2.429 -2.694 -8.437 1.00 0.00 O ATOM 0 H ASP A 739 -1.454 0.764 -11.572 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.894 -0.557 -11.235 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -1.373 -0.977 -10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -1.973 -0.220 -8.945 1.00 0.00 H new ATOM 468 N ARG A 740 -3.568 2.175 -9.481 1.00 0.00 N ATOM 469 CA ARG A 740 -4.276 3.116 -8.620 1.00 0.00 C ATOM 470 C ARG A 740 -5.643 3.459 -9.201 1.00 0.00 C ATOM 471 O ARG A 740 -6.600 3.694 -8.464 1.00 0.00 O ATOM 472 CB ARG A 740 -3.452 4.391 -8.434 1.00 0.00 C ATOM 473 CG ARG A 740 -2.225 4.199 -7.559 1.00 0.00 C ATOM 474 CD ARG A 740 -1.853 5.480 -6.832 1.00 0.00 C ATOM 475 NE ARG A 740 -0.462 5.473 -6.385 1.00 0.00 N ATOM 476 CZ ARG A 740 0.018 6.281 -5.442 1.00 0.00 C ATOM 477 NH1 ARG A 740 -0.776 7.160 -4.844 1.00 0.00 N ATOM 478 NH2 ARG A 740 1.295 6.208 -5.094 1.00 0.00 N ATOM 0 H ARG A 740 -2.679 2.520 -9.842 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.422 2.643 -7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -3.137 4.756 -9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -4.085 5.162 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -2.415 3.409 -6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -1.386 3.872 -8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -2.017 6.332 -7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -2.509 5.612 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 740 0.179 4.810 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -1.760 7.219 -5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -0.402 7.776 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 740 1.910 5.533 -5.549 1.00 0.00 H new ATOM 0 HH22 ARG A 740 1.663 6.827 -4.372 1.00 0.00 H new ATOM 492 N LEU A 741 -5.728 3.487 -10.526 1.00 0.00 N ATOM 493 CA LEU A 741 -6.982 3.798 -11.202 1.00 0.00 C ATOM 494 C LEU A 741 -8.047 2.764 -10.863 1.00 0.00 C ATOM 495 O LEU A 741 -9.210 3.103 -10.646 1.00 0.00 O ATOM 496 CB LEU A 741 -6.771 3.856 -12.717 1.00 0.00 C ATOM 497 CG LEU A 741 -6.030 5.095 -13.221 1.00 0.00 C ATOM 498 CD1 LEU A 741 -5.469 4.853 -14.613 1.00 0.00 C ATOM 499 CD2 LEU A 741 -6.953 6.305 -13.219 1.00 0.00 C ATOM 0 H LEU A 741 -4.945 3.299 -11.152 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.323 4.774 -10.855 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -6.217 2.970 -13.025 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.744 3.810 -13.206 1.00 0.00 H new ATOM 0 HG LEU A 741 -5.197 5.296 -12.547 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.945 5.746 -14.955 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.774 4.013 -14.584 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -6.285 4.626 -15.300 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -6.409 7.178 -13.581 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -7.806 6.113 -13.870 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.306 6.492 -12.205 1.00 0.00 H new ATOM 511 N LEU A 742 -7.641 1.500 -10.810 1.00 0.00 N ATOM 512 CA LEU A 742 -8.560 0.415 -10.490 1.00 0.00 C ATOM 513 C LEU A 742 -9.210 0.647 -9.130 1.00 0.00 C ATOM 514 O LEU A 742 -10.384 0.335 -8.930 1.00 0.00 O ATOM 515 CB LEU A 742 -7.826 -0.927 -10.497 1.00 0.00 C ATOM 516 CG LEU A 742 -7.676 -1.576 -11.874 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.726 -0.769 -12.745 1.00 0.00 C ATOM 518 CD2 LEU A 742 -7.187 -3.010 -11.735 1.00 0.00 C ATOM 0 H LEU A 742 -6.681 1.202 -10.985 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.340 0.393 -11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.833 -0.783 -10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.357 -1.618 -9.843 1.00 0.00 H new ATOM 0 HG LEU A 742 -8.653 -1.590 -12.357 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -6.632 -1.246 -13.720 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -7.117 0.241 -12.871 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -5.747 -0.722 -12.269 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -7.086 -3.457 -12.724 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -6.220 -3.017 -11.232 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -7.905 -3.584 -11.149 1.00 0.00 H new ATOM 530 N GLN A 743 -8.438 1.202 -8.201 1.00 0.00 N ATOM 531 CA GLN A 743 -8.942 1.482 -6.864 1.00 0.00 C ATOM 532 C GLN A 743 -10.107 2.465 -6.922 1.00 0.00 C ATOM 533 O GLN A 743 -11.146 2.248 -6.299 1.00 0.00 O ATOM 534 CB GLN A 743 -7.827 2.045 -5.980 1.00 0.00 C ATOM 535 CG GLN A 743 -7.077 0.981 -5.196 1.00 0.00 C ATOM 536 CD GLN A 743 -5.967 0.335 -6.002 1.00 0.00 C ATOM 537 OE1 GLN A 743 -4.788 0.624 -5.800 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.341 -0.543 -6.926 1.00 0.00 N ATOM 0 H GLN A 743 -7.464 1.466 -8.350 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.297 0.546 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.120 2.590 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.256 2.764 -5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.654 1.428 -4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -7.779 0.213 -4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.330 -0.753 -7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -5.639 -1.008 -7.502 1.00 0.00 H new ATOM 547 N ALA A 744 -9.927 3.544 -7.677 1.00 0.00 N ATOM 548 CA ALA A 744 -10.962 4.558 -7.817 1.00 0.00 C ATOM 549 C ALA A 744 -12.135 4.032 -8.637 1.00 0.00 C ATOM 550 O ALA A 744 -13.292 4.170 -8.241 1.00 0.00 O ATOM 551 CB ALA A 744 -10.390 5.814 -8.455 1.00 0.00 C ATOM 0 H ALA A 744 -9.073 3.737 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.329 4.807 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.176 6.563 -8.553 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.590 6.208 -7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.994 5.573 -9.441 1.00 0.00 H new ATOM 557 N LEU A 745 -11.830 3.424 -9.779 1.00 0.00 N ATOM 558 CA LEU A 745 -12.861 2.874 -10.649 1.00 0.00 C ATOM 559 C LEU A 745 -13.658 1.797 -9.919 1.00 0.00 C ATOM 560 O LEU A 745 -14.885 1.756 -10.001 1.00 0.00 O ATOM 561 CB LEU A 745 -12.235 2.290 -11.919 1.00 0.00 C ATOM 562 CG LEU A 745 -11.279 3.227 -12.664 1.00 0.00 C ATOM 563 CD1 LEU A 745 -10.166 2.436 -13.336 1.00 0.00 C ATOM 564 CD2 LEU A 745 -12.040 4.055 -13.688 1.00 0.00 C ATOM 0 H LEU A 745 -10.878 3.300 -10.122 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.537 3.682 -10.929 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.695 1.381 -11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -13.036 1.998 -12.599 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.826 3.904 -11.939 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.498 3.120 -13.859 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.603 1.886 -12.581 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.598 1.734 -14.049 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -11.347 4.716 -14.209 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.520 3.392 -14.408 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.799 4.652 -13.182 1.00 0.00 H new ATOM 576 N MET A 746 -12.949 0.930 -9.204 1.00 0.00 N ATOM 577 CA MET A 746 -13.588 -0.144 -8.454 1.00 0.00 C ATOM 578 C MET A 746 -14.439 0.418 -7.320 1.00 0.00 C ATOM 579 O MET A 746 -15.440 -0.180 -6.927 1.00 0.00 O ATOM 580 CB MET A 746 -12.535 -1.100 -7.892 1.00 0.00 C ATOM 581 CG MET A 746 -11.874 -1.967 -8.951 1.00 0.00 C ATOM 582 SD MET A 746 -10.329 -2.701 -8.381 1.00 0.00 S ATOM 583 CE MET A 746 -10.935 -4.176 -7.566 1.00 0.00 C ATOM 0 H MET A 746 -11.932 0.950 -9.128 1.00 0.00 H new ATOM 0 HA MET A 746 -14.238 -0.693 -9.135 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.768 -0.521 -7.378 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.002 -1.744 -7.147 1.00 0.00 H new ATOM 0 HG2 MET A 746 -12.561 -2.760 -9.247 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.680 -1.365 -9.839 1.00 0.00 H new ATOM 0 HE1 MET A 746 -10.094 -4.739 -7.160 1.00 0.00 H new ATOM 0 HE2 MET A 746 -11.608 -3.894 -6.756 1.00 0.00 H new ATOM 0 HE3 MET A 746 -11.472 -4.795 -8.285 1.00 0.00 H new ATOM 593 N ASP A 747 -14.030 1.570 -6.793 1.00 0.00 N ATOM 594 CA ASP A 747 -14.752 2.209 -5.701 1.00 0.00 C ATOM 595 C ASP A 747 -16.122 2.699 -6.159 1.00 0.00 C ATOM 596 O ASP A 747 -17.124 2.497 -5.474 1.00 0.00 O ATOM 597 CB ASP A 747 -13.940 3.380 -5.146 1.00 0.00 C ATOM 598 CG ASP A 747 -14.464 3.861 -3.806 1.00 0.00 C ATOM 599 OD1 ASP A 747 -15.194 3.096 -3.144 1.00 0.00 O ATOM 600 OD2 ASP A 747 -14.142 5.005 -3.421 1.00 0.00 O ATOM 0 H ASP A 747 -13.203 2.078 -7.106 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.899 1.468 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.898 3.078 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.961 4.204 -5.859 1.00 0.00 H new ATOM 605 N ILE A 748 -16.159 3.350 -7.319 1.00 0.00 N ATOM 606 CA ILE A 748 -17.406 3.874 -7.860 1.00 0.00 C ATOM 607 C ILE A 748 -18.371 2.750 -8.222 1.00 0.00 C ATOM 608 O ILE A 748 -19.531 2.758 -7.808 1.00 0.00 O ATOM 609 CB ILE A 748 -17.157 4.743 -9.108 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.106 5.814 -8.810 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.453 5.384 -9.580 1.00 0.00 C ATOM 612 CD1 ILE A 748 -15.795 6.703 -9.994 1.00 0.00 C ATOM 0 H ILE A 748 -15.340 3.526 -7.900 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.851 4.490 -7.079 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.782 4.102 -9.906 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.454 6.433 -7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.188 5.328 -8.480 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.257 5.994 -10.462 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.174 4.606 -9.830 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.858 6.013 -8.787 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -15.042 7.438 -9.709 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -15.416 6.095 -10.816 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -16.702 7.217 -10.311 1.00 0.00 H new ATOM 624 N LEU A 749 -17.891 1.783 -8.997 1.00 0.00 N ATOM 625 CA LEU A 749 -18.721 0.659 -9.411 1.00 0.00 C ATOM 626 C LEU A 749 -19.158 -0.165 -8.205 1.00 0.00 C ATOM 627 O LEU A 749 -20.298 -0.626 -8.136 1.00 0.00 O ATOM 628 CB LEU A 749 -17.968 -0.229 -10.406 1.00 0.00 C ATOM 629 CG LEU A 749 -16.591 -0.707 -9.944 1.00 0.00 C ATOM 630 CD1 LEU A 749 -16.711 -2.009 -9.165 1.00 0.00 C ATOM 631 CD2 LEU A 749 -15.664 -0.880 -11.138 1.00 0.00 C ATOM 0 H LEU A 749 -16.934 1.755 -9.350 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.610 1.059 -9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -18.582 -1.102 -10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -17.849 0.320 -11.340 1.00 0.00 H new ATOM 0 HG LEU A 749 -16.165 0.048 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -15.721 -2.334 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -17.343 -1.853 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -17.155 -2.774 -9.801 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -14.687 -1.221 -10.794 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -16.085 -1.617 -11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -15.554 0.073 -11.655 1.00 0.00 H new ATOM 643 N ASN A 750 -18.248 -0.343 -7.255 1.00 0.00 N ATOM 644 CA ASN A 750 -18.540 -1.107 -6.052 1.00 0.00 C ATOM 645 C ASN A 750 -19.459 -0.320 -5.125 1.00 0.00 C ATOM 646 O ASN A 750 -20.295 -0.895 -4.428 1.00 0.00 O ATOM 647 CB ASN A 750 -17.244 -1.467 -5.322 1.00 0.00 C ATOM 648 CG ASN A 750 -17.489 -2.349 -4.112 1.00 0.00 C ATOM 649 OD1 ASN A 750 -17.441 -1.886 -2.972 1.00 0.00 O ATOM 650 ND2 ASN A 750 -17.753 -3.626 -4.356 1.00 0.00 N ATOM 0 H ASN A 750 -17.301 0.033 -7.296 1.00 0.00 H new ATOM 0 HA ASN A 750 -19.047 -2.026 -6.346 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.572 -1.978 -6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -16.742 -0.553 -5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -17.926 -4.268 -3.582 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -17.783 -3.966 -5.317 1.00 0.00 H new ATOM 657 N GLU A 751 -19.299 1.000 -5.124 1.00 0.00 N ATOM 658 CA GLU A 751 -20.112 1.875 -4.285 1.00 0.00 C ATOM 659 C GLU A 751 -20.093 1.413 -2.830 1.00 0.00 C ATOM 660 O GLU A 751 -20.962 0.657 -2.397 1.00 0.00 O ATOM 661 CB GLU A 751 -21.552 1.915 -4.804 1.00 0.00 C ATOM 662 CG GLU A 751 -21.910 3.219 -5.498 1.00 0.00 C ATOM 663 CD GLU A 751 -23.388 3.320 -5.821 1.00 0.00 C ATOM 664 OE1 GLU A 751 -24.035 2.263 -5.976 1.00 0.00 O ATOM 665 OE2 GLU A 751 -23.899 4.456 -5.921 1.00 0.00 O ATOM 0 H GLU A 751 -18.611 1.489 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 751 -19.687 2.878 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -21.702 1.089 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -22.235 1.757 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -21.623 4.056 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -21.334 3.306 -6.419 1.00 0.00 H new ATOM 672 N GLU A 752 -19.096 1.873 -2.081 1.00 0.00 N ATOM 673 CA GLU A 752 -18.965 1.508 -0.676 1.00 0.00 C ATOM 674 C GLU A 752 -17.802 2.252 -0.026 1.00 0.00 C ATOM 675 O GLU A 752 -17.061 1.687 0.777 1.00 0.00 O ATOM 676 CB GLU A 752 -18.762 -0.003 -0.537 1.00 0.00 C ATOM 677 CG GLU A 752 -19.381 -0.586 0.721 1.00 0.00 C ATOM 678 CD GLU A 752 -19.344 -2.101 0.742 1.00 0.00 C ATOM 679 OE1 GLU A 752 -20.120 -2.724 -0.013 1.00 0.00 O ATOM 680 OE2 GLU A 752 -18.538 -2.665 1.511 1.00 0.00 O ATOM 0 H GLU A 752 -18.367 2.499 -2.424 1.00 0.00 H new ATOM 0 HA GLU A 752 -19.885 1.793 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -19.191 -0.500 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -17.694 -0.220 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -18.852 -0.201 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -20.415 -0.251 0.802 1.00 0.00 H new ATOM 687 N ASN A 753 -17.651 3.525 -0.380 1.00 0.00 N ATOM 688 CA ASN A 753 -16.580 4.348 0.170 1.00 0.00 C ATOM 689 C ASN A 753 -15.213 3.756 -0.161 1.00 0.00 C ATOM 690 O ASN A 753 -14.831 2.758 0.486 1.00 0.00 O ATOM 691 CB ASN A 753 -16.737 4.482 1.686 1.00 0.00 C ATOM 692 CG ASN A 753 -18.147 4.868 2.088 1.00 0.00 C ATOM 693 OD1 ASN A 753 -19.049 4.030 2.112 1.00 0.00 O ATOM 694 ND2 ASN A 753 -18.344 6.142 2.407 1.00 0.00 N ATOM 695 OXT ASN A 753 -14.538 4.293 -1.063 1.00 0.00 O ATOM 0 H ASN A 753 -18.256 4.008 -1.044 1.00 0.00 H new ATOM 0 HA ASN A 753 -16.647 5.337 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -16.472 3.537 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -16.038 5.232 2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -19.272 6.460 2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -17.567 6.802 2.373 1.00 0.00 H new TER 702 ASN A 753