USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=11 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 180:sc= 0 USER MOD Single : A 712 LYS NZ :NH3+ -172:sc=-0.000633 (180deg=-0.137) 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 USER MOD Single : A 724 TYR OH : rot 106:sc= 0.156 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.5!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.34) USER MOD Single : A 743 GLN : amide:sc= -0.0262 X(o=-0.026,f=-0.026) USER MOD Single : A 746 MET CE :methyl -171:sc= 0 (180deg=-0.0352) USER MOD Single : A 750 ASN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 2.604 19.877 16.035 1.00 0.00 N ATOM 2 CA SER A 711 2.536 21.201 15.361 1.00 0.00 C ATOM 3 C SER A 711 3.846 21.526 14.652 1.00 0.00 C ATOM 4 O SER A 711 4.911 21.547 15.271 1.00 0.00 O ATOM 5 CB SER A 711 2.227 22.267 16.414 1.00 0.00 C ATOM 6 OG SER A 711 0.833 22.506 16.503 1.00 0.00 O ATOM 0 HA SER A 711 1.751 21.179 14.605 1.00 0.00 H new ATOM 0 HB2 SER A 711 2.607 21.946 17.384 1.00 0.00 H new ATOM 0 HB3 SER A 711 2.743 23.193 16.161 1.00 0.00 H new ATOM 0 HG SER A 711 0.661 23.190 17.184 1.00 0.00 H new ATOM 14 N LYS A 712 3.763 21.778 13.349 1.00 0.00 N ATOM 15 CA LYS A 712 4.941 22.102 12.556 1.00 0.00 C ATOM 16 C LYS A 712 4.951 23.579 12.173 1.00 0.00 C ATOM 17 O LYS A 712 5.372 23.944 11.077 1.00 0.00 O ATOM 18 CB LYS A 712 4.986 21.237 11.293 1.00 0.00 C ATOM 19 CG LYS A 712 6.395 20.885 10.848 1.00 0.00 C ATOM 20 CD LYS A 712 6.433 19.546 10.128 1.00 0.00 C ATOM 21 CE LYS A 712 6.430 19.726 8.618 1.00 0.00 C ATOM 22 NZ LYS A 712 5.245 20.497 8.153 1.00 0.00 N ATOM 0 H LYS A 712 2.891 21.764 12.821 1.00 0.00 H new ATOM 0 HA LYS A 712 5.823 21.896 13.162 1.00 0.00 H new ATOM 0 HB2 LYS A 712 4.430 20.317 11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 712 4.479 21.763 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 712 6.775 21.665 10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 712 7.054 20.852 11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 712 7.324 18.995 10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 712 5.573 18.947 10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 712 7.341 20.241 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 712 6.439 18.748 8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 5.207 20.482 7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 4.379 20.068 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 5.320 21.481 8.483 1.00 0.00 H new ATOM 36 N LEU A 713 4.483 24.423 13.087 1.00 0.00 N ATOM 37 CA LEU A 713 4.438 25.861 12.846 1.00 0.00 C ATOM 38 C LEU A 713 3.562 26.183 11.638 1.00 0.00 C ATOM 39 O LEU A 713 3.953 26.957 10.764 1.00 0.00 O ATOM 40 CB LEU A 713 5.851 26.407 12.630 1.00 0.00 C ATOM 41 CG LEU A 713 6.643 26.679 13.910 1.00 0.00 C ATOM 42 CD1 LEU A 713 8.134 26.511 13.662 1.00 0.00 C ATOM 43 CD2 LEU A 713 6.342 28.074 14.436 1.00 0.00 C ATOM 0 H LEU A 713 4.130 24.137 14.000 1.00 0.00 H new ATOM 0 HA LEU A 713 4.003 26.339 13.724 1.00 0.00 H new ATOM 0 HB2 LEU A 713 6.409 25.697 12.020 1.00 0.00 H new ATOM 0 HB3 LEU A 713 5.783 27.333 12.059 1.00 0.00 H new ATOM 0 HG LEU A 713 6.338 25.954 14.664 1.00 0.00 H new ATOM 0 HD11 LEU A 713 8.681 26.709 14.584 1.00 0.00 H new ATOM 0 HD12 LEU A 713 8.335 25.492 13.332 1.00 0.00 H new ATOM 0 HD13 LEU A 713 8.456 27.212 12.892 1.00 0.00 H new ATOM 0 HD21 LEU A 713 6.914 28.251 15.347 1.00 0.00 H new ATOM 0 HD22 LEU A 713 6.619 28.814 13.685 1.00 0.00 H new ATOM 0 HD23 LEU A 713 5.277 28.159 14.654 1.00 0.00 H new ATOM 55 N GLU A 714 2.378 25.584 11.597 1.00 0.00 N ATOM 56 CA GLU A 714 1.446 25.806 10.497 1.00 0.00 C ATOM 57 C GLU A 714 2.054 25.360 9.171 1.00 0.00 C ATOM 58 O GLU A 714 3.272 25.251 9.041 1.00 0.00 O ATOM 59 CB GLU A 714 1.056 27.284 10.422 1.00 0.00 C ATOM 60 CG GLU A 714 -0.139 27.644 11.290 1.00 0.00 C ATOM 61 CD GLU A 714 0.119 27.402 12.765 1.00 0.00 C ATOM 62 OE1 GLU A 714 0.759 28.265 13.404 1.00 0.00 O ATOM 63 OE2 GLU A 714 -0.317 26.351 13.279 1.00 0.00 O ATOM 0 H GLU A 714 2.040 24.941 12.313 1.00 0.00 H new ATOM 0 HA GLU A 714 0.552 25.211 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 714 1.909 27.892 10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 714 0.832 27.540 9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 714 -0.392 28.693 11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 714 -1.002 27.058 10.975 1.00 0.00 H new ATOM 70 N GLY A 715 1.196 25.104 8.190 1.00 0.00 N ATOM 71 CA GLY A 715 1.666 24.672 6.886 1.00 0.00 C ATOM 72 C GLY A 715 1.772 25.818 5.899 1.00 0.00 C ATOM 73 O GLY A 715 2.864 26.145 5.433 1.00 0.00 O ATOM 0 H GLY A 715 0.183 25.188 8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 715 2.642 24.198 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 715 0.987 23.917 6.490 1.00 0.00 H new ATOM 77 N SER A 716 0.636 26.428 5.579 1.00 0.00 N ATOM 78 CA SER A 716 0.606 27.544 4.640 1.00 0.00 C ATOM 79 C SER A 716 1.124 27.117 3.271 1.00 0.00 C ATOM 80 O SER A 716 1.779 26.082 3.139 1.00 0.00 O ATOM 81 CB SER A 716 1.441 28.709 5.174 1.00 0.00 C ATOM 82 OG SER A 716 1.166 28.949 6.544 1.00 0.00 O ATOM 0 H SER A 716 -0.276 26.169 5.956 1.00 0.00 H new ATOM 0 HA SER A 716 -0.429 27.868 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 716 2.501 28.489 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 716 1.229 29.608 4.595 1.00 0.00 H new ATOM 0 HG SER A 716 1.714 29.697 6.861 1.00 0.00 H new ATOM 88 N GLU A 717 0.826 27.920 2.255 1.00 0.00 N ATOM 89 CA GLU A 717 1.263 27.623 0.895 1.00 0.00 C ATOM 90 C GLU A 717 1.635 28.904 0.153 1.00 0.00 C ATOM 91 O GLU A 717 0.768 29.597 -0.379 1.00 0.00 O ATOM 92 CB GLU A 717 0.164 26.880 0.135 1.00 0.00 C ATOM 93 CG GLU A 717 0.693 25.826 -0.825 1.00 0.00 C ATOM 94 CD GLU A 717 0.747 26.317 -2.258 1.00 0.00 C ATOM 95 OE1 GLU A 717 1.723 27.011 -2.612 1.00 0.00 O ATOM 96 OE2 GLU A 717 -0.188 26.008 -3.027 1.00 0.00 O ATOM 0 H GLU A 717 0.285 28.780 2.347 1.00 0.00 H new ATOM 0 HA GLU A 717 2.147 26.988 0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 717 -0.504 26.403 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 717 -0.432 27.602 -0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 717 1.692 25.522 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 717 0.059 24.941 -0.772 1.00 0.00 H new ATOM 103 N ASP A 718 2.926 29.209 0.120 1.00 0.00 N ATOM 104 CA ASP A 718 3.413 30.405 -0.557 1.00 0.00 C ATOM 105 C ASP A 718 4.187 30.039 -1.820 1.00 0.00 C ATOM 106 O ASP A 718 4.538 28.877 -2.029 1.00 0.00 O ATOM 107 CB ASP A 718 4.303 31.221 0.381 1.00 0.00 C ATOM 108 CG ASP A 718 3.519 32.252 1.171 1.00 0.00 C ATOM 109 OD1 ASP A 718 2.716 32.985 0.556 1.00 0.00 O ATOM 110 OD2 ASP A 718 3.709 32.325 2.402 1.00 0.00 O ATOM 0 H ASP A 718 3.656 28.644 0.555 1.00 0.00 H new ATOM 0 HA ASP A 718 2.550 31.006 -0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 718 4.812 30.548 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 718 5.075 31.724 -0.201 1.00 0.00 H new ATOM 115 N SER A 719 4.450 31.036 -2.658 1.00 0.00 N ATOM 116 CA SER A 719 5.182 30.819 -3.900 1.00 0.00 C ATOM 117 C SER A 719 6.686 30.897 -3.665 1.00 0.00 C ATOM 118 O SER A 719 7.272 31.980 -3.684 1.00 0.00 O ATOM 119 CB SER A 719 4.763 31.848 -4.950 1.00 0.00 C ATOM 120 OG SER A 719 3.676 31.372 -5.727 1.00 0.00 O ATOM 0 H SER A 719 4.167 32.003 -2.499 1.00 0.00 H new ATOM 0 HA SER A 719 4.941 29.821 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 719 4.482 32.780 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A 719 5.608 32.073 -5.601 1.00 0.00 H new ATOM 0 HG SER A 719 3.426 32.049 -6.390 1.00 0.00 H new ATOM 126 N LEU A 720 7.307 29.744 -3.443 1.00 0.00 N ATOM 127 CA LEU A 720 8.745 29.683 -3.205 1.00 0.00 C ATOM 128 C LEU A 720 9.336 28.394 -3.769 1.00 0.00 C ATOM 129 O LEU A 720 9.587 27.440 -3.033 1.00 0.00 O ATOM 130 CB LEU A 720 9.038 29.780 -1.706 1.00 0.00 C ATOM 131 CG LEU A 720 10.383 30.416 -1.351 1.00 0.00 C ATOM 132 CD1 LEU A 720 11.519 29.697 -2.062 1.00 0.00 C ATOM 133 CD2 LEU A 720 10.381 31.896 -1.704 1.00 0.00 C ATOM 0 H LEU A 720 6.838 28.839 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 720 9.210 30.527 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 720 8.244 30.357 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 720 9.003 28.778 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 720 10.537 30.319 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 720 12.468 30.164 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 720 11.533 28.650 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 720 11.372 29.761 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 720 11.345 32.333 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 720 10.204 32.015 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 720 9.592 32.402 -1.147 1.00 0.00 H new ATOM 145 N TYR A 721 9.559 28.375 -5.081 1.00 0.00 N ATOM 146 CA TYR A 721 10.122 27.206 -5.749 1.00 0.00 C ATOM 147 C TYR A 721 9.390 25.929 -5.342 1.00 0.00 C ATOM 148 O TYR A 721 10.010 24.948 -4.931 1.00 0.00 O ATOM 149 CB TYR A 721 11.611 27.087 -5.422 1.00 0.00 C ATOM 150 CG TYR A 721 12.462 26.677 -6.604 1.00 0.00 C ATOM 151 CD1 TYR A 721 12.268 27.246 -7.856 1.00 0.00 C ATOM 152 CD2 TYR A 721 13.458 25.719 -6.467 1.00 0.00 C ATOM 153 CE1 TYR A 721 13.043 26.873 -8.938 1.00 0.00 C ATOM 154 CE2 TYR A 721 14.238 25.340 -7.543 1.00 0.00 C ATOM 155 CZ TYR A 721 14.025 25.919 -8.776 1.00 0.00 C ATOM 156 OH TYR A 721 14.799 25.545 -9.851 1.00 0.00 O ATOM 0 H TYR A 721 9.358 29.158 -5.703 1.00 0.00 H new ATOM 0 HA TYR A 721 9.997 27.335 -6.824 1.00 0.00 H new ATOM 0 HB2 TYR A 721 11.968 28.044 -5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 721 11.741 26.359 -4.622 1.00 0.00 H new ATOM 0 HD1 TYR A 721 11.499 27.993 -7.986 1.00 0.00 H new ATOM 0 HD2 TYR A 721 13.626 25.262 -5.503 1.00 0.00 H new ATOM 0 HE1 TYR A 721 12.880 27.326 -9.905 1.00 0.00 H new ATOM 0 HE2 TYR A 721 15.010 24.595 -7.419 1.00 0.00 H new ATOM 0 HH TYR A 721 15.445 24.864 -9.568 1.00 0.00 H new ATOM 166 N SER A 722 8.066 25.951 -5.460 1.00 0.00 N ATOM 167 CA SER A 722 7.245 24.798 -5.106 1.00 0.00 C ATOM 168 C SER A 722 7.659 23.561 -5.901 1.00 0.00 C ATOM 169 O SER A 722 7.413 22.433 -5.476 1.00 0.00 O ATOM 170 CB SER A 722 5.767 25.105 -5.353 1.00 0.00 C ATOM 171 OG SER A 722 5.180 25.731 -4.227 1.00 0.00 O ATOM 0 H SER A 722 7.538 26.756 -5.798 1.00 0.00 H new ATOM 0 HA SER A 722 7.397 24.590 -4.047 1.00 0.00 H new ATOM 0 HB2 SER A 722 5.668 25.752 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 722 5.234 24.182 -5.578 1.00 0.00 H new ATOM 0 HG SER A 722 4.236 25.918 -4.412 1.00 0.00 H new ATOM 177 N ASP A 723 8.288 23.778 -7.052 1.00 0.00 N ATOM 178 CA ASP A 723 8.734 22.676 -7.897 1.00 0.00 C ATOM 179 C ASP A 723 9.689 21.760 -7.137 1.00 0.00 C ATOM 180 O ASP A 723 9.441 20.562 -7.000 1.00 0.00 O ATOM 181 CB ASP A 723 9.417 23.213 -9.156 1.00 0.00 C ATOM 182 CG ASP A 723 9.226 22.301 -10.353 1.00 0.00 C ATOM 183 OD1 ASP A 723 8.070 21.912 -10.623 1.00 0.00 O ATOM 184 OD2 ASP A 723 10.231 21.977 -11.019 1.00 0.00 O ATOM 0 H ASP A 723 8.500 24.705 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 723 7.857 22.097 -8.188 1.00 0.00 H new ATOM 0 HB2 ASP A 723 9.019 24.201 -9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 723 10.483 23.336 -8.963 1.00 0.00 H new ATOM 189 N TYR A 724 10.779 22.336 -6.642 1.00 0.00 N ATOM 190 CA TYR A 724 11.773 21.581 -5.893 1.00 0.00 C ATOM 191 C TYR A 724 11.204 21.122 -4.550 1.00 0.00 C ATOM 192 O TYR A 724 11.580 20.072 -4.031 1.00 0.00 O ATOM 193 CB TYR A 724 13.028 22.436 -5.681 1.00 0.00 C ATOM 194 CG TYR A 724 13.787 22.111 -4.414 1.00 0.00 C ATOM 195 CD1 TYR A 724 13.396 22.648 -3.195 1.00 0.00 C ATOM 196 CD2 TYR A 724 14.883 21.260 -4.437 1.00 0.00 C ATOM 197 CE1 TYR A 724 14.080 22.349 -2.033 1.00 0.00 C ATOM 198 CE2 TYR A 724 15.573 20.957 -3.280 1.00 0.00 C ATOM 199 CZ TYR A 724 15.167 21.502 -2.080 1.00 0.00 C ATOM 200 OH TYR A 724 15.850 21.201 -0.924 1.00 0.00 O ATOM 0 H TYR A 724 10.996 23.327 -6.747 1.00 0.00 H new ATOM 0 HA TYR A 724 12.043 20.694 -6.467 1.00 0.00 H new ATOM 0 HB2 TYR A 724 13.693 22.305 -6.535 1.00 0.00 H new ATOM 0 HB3 TYR A 724 12.740 23.487 -5.660 1.00 0.00 H new ATOM 0 HD1 TYR A 724 12.544 23.310 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 724 15.201 20.828 -5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 724 13.765 22.776 -1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 724 16.427 20.296 -3.315 1.00 0.00 H new ATOM 0 HH TYR A 724 15.640 20.284 -0.649 1.00 0.00 H new ATOM 210 N VAL A 725 10.302 21.924 -3.995 1.00 0.00 N ATOM 211 CA VAL A 725 9.684 21.609 -2.713 1.00 0.00 C ATOM 212 C VAL A 725 8.653 20.493 -2.859 1.00 0.00 C ATOM 213 O VAL A 725 8.432 19.713 -1.931 1.00 0.00 O ATOM 214 CB VAL A 725 9.014 22.856 -2.103 1.00 0.00 C ATOM 215 CG1 VAL A 725 8.276 22.510 -0.816 1.00 0.00 C ATOM 216 CG2 VAL A 725 10.049 23.944 -1.856 1.00 0.00 C ATOM 0 H VAL A 725 9.983 22.798 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 725 10.475 21.270 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 725 8.279 23.230 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 725 7.814 23.409 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 725 7.505 21.769 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 725 8.981 22.104 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 725 9.562 24.819 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 725 10.808 23.575 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 725 10.520 24.219 -2.800 1.00 0.00 H new ATOM 226 N ASP A 726 8.024 20.420 -4.027 1.00 0.00 N ATOM 227 CA ASP A 726 7.017 19.397 -4.291 1.00 0.00 C ATOM 228 C ASP A 726 7.605 17.999 -4.120 1.00 0.00 C ATOM 229 O ASP A 726 6.888 17.048 -3.810 1.00 0.00 O ATOM 230 CB ASP A 726 6.456 19.557 -5.705 1.00 0.00 C ATOM 231 CG ASP A 726 5.203 18.732 -5.928 1.00 0.00 C ATOM 232 OD1 ASP A 726 4.914 17.850 -5.090 1.00 0.00 O ATOM 233 OD2 ASP A 726 4.510 18.966 -6.941 1.00 0.00 O ATOM 0 H ASP A 726 8.193 21.056 -4.806 1.00 0.00 H new ATOM 0 HA ASP A 726 6.209 19.523 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 726 6.233 20.608 -5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 726 7.215 19.262 -6.429 1.00 0.00 H new ATOM 238 N VAL A 727 8.914 17.883 -4.325 1.00 0.00 N ATOM 239 CA VAL A 727 9.597 16.602 -4.192 1.00 0.00 C ATOM 240 C VAL A 727 9.500 16.074 -2.765 1.00 0.00 C ATOM 241 O VAL A 727 9.338 14.874 -2.546 1.00 0.00 O ATOM 242 CB VAL A 727 11.082 16.712 -4.588 1.00 0.00 C ATOM 243 CG1 VAL A 727 11.738 15.340 -4.594 1.00 0.00 C ATOM 244 CG2 VAL A 727 11.225 17.384 -5.946 1.00 0.00 C ATOM 0 H VAL A 727 9.522 18.660 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 727 9.100 15.907 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 727 11.590 17.329 -3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 727 12.786 15.439 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 727 11.670 14.900 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 727 11.229 14.696 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 727 12.281 17.453 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 727 10.701 16.796 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 727 10.796 18.385 -5.904 1.00 0.00 H new ATOM 254 N PHE A 728 9.602 16.978 -1.797 1.00 0.00 N ATOM 255 CA PHE A 728 9.526 16.603 -0.389 1.00 0.00 C ATOM 256 C PHE A 728 8.081 16.615 0.100 1.00 0.00 C ATOM 257 O PHE A 728 7.706 15.838 0.977 1.00 0.00 O ATOM 258 CB PHE A 728 10.372 17.554 0.460 1.00 0.00 C ATOM 259 CG PHE A 728 11.762 17.757 -0.072 1.00 0.00 C ATOM 260 CD1 PHE A 728 12.004 18.674 -1.082 1.00 0.00 C ATOM 261 CD2 PHE A 728 12.827 17.031 0.439 1.00 0.00 C ATOM 262 CE1 PHE A 728 13.281 18.864 -1.575 1.00 0.00 C ATOM 263 CE2 PHE A 728 14.106 17.217 -0.050 1.00 0.00 C ATOM 264 CZ PHE A 728 14.334 18.135 -1.057 1.00 0.00 C ATOM 0 H PHE A 728 9.737 17.976 -1.961 1.00 0.00 H new ATOM 0 HA PHE A 728 9.917 15.591 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 728 9.870 18.520 0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 728 10.434 17.164 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 728 11.184 19.248 -1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 728 12.655 16.313 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 728 13.455 19.581 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 728 14.927 16.645 0.355 1.00 0.00 H new ATOM 0 HZ PHE A 728 15.334 18.282 -1.439 1.00 0.00 H new ATOM 274 N TYR A 729 7.275 17.502 -0.473 1.00 0.00 N ATOM 275 CA TYR A 729 5.871 17.615 -0.096 1.00 0.00 C ATOM 276 C TYR A 729 5.109 16.343 -0.449 1.00 0.00 C ATOM 277 O TYR A 729 4.154 15.971 0.233 1.00 0.00 O ATOM 278 CB TYR A 729 5.230 18.817 -0.792 1.00 0.00 C ATOM 279 CG TYR A 729 4.219 19.544 0.066 1.00 0.00 C ATOM 280 CD1 TYR A 729 4.503 19.867 1.387 1.00 0.00 C ATOM 281 CD2 TYR A 729 2.980 19.910 -0.447 1.00 0.00 C ATOM 282 CE1 TYR A 729 3.581 20.531 2.174 1.00 0.00 C ATOM 283 CE2 TYR A 729 2.054 20.576 0.334 1.00 0.00 C ATOM 284 CZ TYR A 729 2.358 20.884 1.642 1.00 0.00 C ATOM 285 OH TYR A 729 1.438 21.546 2.422 1.00 0.00 O ATOM 0 H TYR A 729 7.570 18.153 -1.200 1.00 0.00 H new ATOM 0 HA TYR A 729 5.821 17.759 0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 729 6.013 19.516 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 729 4.742 18.479 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 729 5.460 19.595 1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 729 2.737 19.670 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 729 3.817 20.772 3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 729 1.096 20.854 -0.080 1.00 0.00 H new ATOM 0 HH TYR A 729 0.630 21.722 1.896 1.00 0.00 H new ATOM 295 N ASN A 730 5.537 15.679 -1.518 1.00 0.00 N ATOM 296 CA ASN A 730 4.895 14.448 -1.962 1.00 0.00 C ATOM 297 C ASN A 730 5.639 13.844 -3.150 1.00 0.00 C ATOM 298 O ASN A 730 5.653 14.416 -4.241 1.00 0.00 O ATOM 299 CB ASN A 730 3.436 14.716 -2.339 1.00 0.00 C ATOM 300 CG ASN A 730 2.476 14.358 -1.221 1.00 0.00 C ATOM 301 OD1 ASN A 730 1.911 15.236 -0.570 1.00 0.00 O ATOM 302 ND2 ASN A 730 2.286 13.064 -0.995 1.00 0.00 N ATOM 0 H ASN A 730 6.326 15.974 -2.093 1.00 0.00 H new ATOM 0 HA ASN A 730 4.924 13.734 -1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 730 3.317 15.769 -2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 730 3.182 14.142 -3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 730 1.650 12.763 -0.256 1.00 0.00 H new ATOM 0 HD22 ASN A 730 2.776 12.370 -1.560 1.00 0.00 H new ATOM 309 N THR A 731 6.255 12.688 -2.930 1.00 0.00 N ATOM 310 CA THR A 731 7.001 12.008 -3.982 1.00 0.00 C ATOM 311 C THR A 731 6.083 11.626 -5.139 1.00 0.00 C ATOM 312 O THR A 731 4.864 11.568 -4.985 1.00 0.00 O ATOM 313 CB THR A 731 7.685 10.759 -3.426 1.00 0.00 C ATOM 314 OG1 THR A 731 6.742 9.726 -3.208 1.00 0.00 O ATOM 315 CG2 THR A 731 8.407 11.005 -2.117 1.00 0.00 C ATOM 0 H THR A 731 6.253 12.202 -2.033 1.00 0.00 H new ATOM 0 HA THR A 731 7.761 12.694 -4.355 1.00 0.00 H new ATOM 0 HB THR A 731 8.418 10.472 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 731 7.199 8.935 -2.854 1.00 0.00 H new ATOM 0 HG21 THR A 731 8.870 10.079 -1.777 1.00 0.00 H new ATOM 0 HG22 THR A 731 9.176 11.763 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 731 7.695 11.350 -1.368 1.00 0.00 H new ATOM 323 N LYS A 732 6.678 11.366 -6.299 1.00 0.00 N ATOM 324 CA LYS A 732 5.915 10.990 -7.483 1.00 0.00 C ATOM 325 C LYS A 732 5.879 9.472 -7.648 1.00 0.00 C ATOM 326 O LYS A 732 6.728 8.761 -7.109 1.00 0.00 O ATOM 327 CB LYS A 732 6.518 11.635 -8.732 1.00 0.00 C ATOM 328 CG LYS A 732 7.931 11.166 -9.037 1.00 0.00 C ATOM 329 CD LYS A 732 8.771 12.283 -9.636 1.00 0.00 C ATOM 330 CE LYS A 732 10.203 12.235 -9.129 1.00 0.00 C ATOM 331 NZ LYS A 732 11.072 11.392 -9.996 1.00 0.00 N ATOM 0 H LYS A 732 7.687 11.409 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 732 4.894 11.349 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 732 5.879 11.417 -9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 732 6.523 12.718 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 732 8.402 10.806 -8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 732 7.895 10.325 -9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 732 8.766 12.201 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 732 8.328 13.247 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 732 10.606 13.247 -9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 732 10.215 11.843 -8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 12.040 11.386 -9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 10.702 10.420 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 11.082 11.781 -10.961 1.00 0.00 H new ATOM 345 N PRO A 733 4.892 8.955 -8.398 1.00 0.00 N ATOM 346 CA PRO A 733 4.749 7.513 -8.632 1.00 0.00 C ATOM 347 C PRO A 733 6.037 6.880 -9.145 1.00 0.00 C ATOM 348 O PRO A 733 7.030 7.569 -9.375 1.00 0.00 O ATOM 349 CB PRO A 733 3.651 7.432 -9.695 1.00 0.00 C ATOM 350 CG PRO A 733 2.859 8.680 -9.520 1.00 0.00 C ATOM 351 CD PRO A 733 3.838 9.733 -9.077 1.00 0.00 C ATOM 0 HA PRO A 733 4.512 6.972 -7.716 1.00 0.00 H new ATOM 0 HB2 PRO A 733 4.075 7.370 -10.697 1.00 0.00 H new ATOM 0 HB3 PRO A 733 3.030 6.547 -9.556 1.00 0.00 H new ATOM 0 HG2 PRO A 733 2.372 8.967 -10.452 1.00 0.00 H new ATOM 0 HG3 PRO A 733 2.072 8.542 -8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 733 4.235 10.294 -9.923 1.00 0.00 H new ATOM 0 HD3 PRO A 733 3.375 10.455 -8.404 1.00 0.00 H new ATOM 359 N TYR A 734 6.013 5.564 -9.324 1.00 0.00 N ATOM 360 CA TYR A 734 7.178 4.836 -9.812 1.00 0.00 C ATOM 361 C TYR A 734 6.760 3.574 -10.557 1.00 0.00 C ATOM 362 O TYR A 734 6.965 3.457 -11.766 1.00 0.00 O ATOM 363 CB TYR A 734 8.103 4.473 -8.648 1.00 0.00 C ATOM 364 CG TYR A 734 9.529 4.197 -9.069 1.00 0.00 C ATOM 365 CD1 TYR A 734 9.827 3.154 -9.936 1.00 0.00 C ATOM 366 CD2 TYR A 734 10.575 4.980 -8.599 1.00 0.00 C ATOM 367 CE1 TYR A 734 11.129 2.898 -10.322 1.00 0.00 C ATOM 368 CE2 TYR A 734 11.880 4.731 -8.981 1.00 0.00 C ATOM 369 CZ TYR A 734 12.151 3.690 -9.843 1.00 0.00 C ATOM 370 OH TYR A 734 13.449 3.438 -10.225 1.00 0.00 O ATOM 0 H TYR A 734 5.198 4.979 -9.138 1.00 0.00 H new ATOM 0 HA TYR A 734 7.714 5.483 -10.506 1.00 0.00 H new ATOM 0 HB2 TYR A 734 8.098 5.288 -7.924 1.00 0.00 H new ATOM 0 HB3 TYR A 734 7.706 3.593 -8.141 1.00 0.00 H new ATOM 0 HD1 TYR A 734 9.029 2.533 -10.315 1.00 0.00 H new ATOM 0 HD2 TYR A 734 10.366 5.797 -7.924 1.00 0.00 H new ATOM 0 HE1 TYR A 734 11.345 2.082 -10.995 1.00 0.00 H new ATOM 0 HE2 TYR A 734 12.683 5.349 -8.606 1.00 0.00 H new ATOM 0 HH TYR A 734 14.047 4.087 -9.800 1.00 0.00 H new ATOM 380 N LYS A 735 6.174 2.629 -9.829 1.00 0.00 N ATOM 381 CA LYS A 735 5.726 1.374 -10.422 1.00 0.00 C ATOM 382 C LYS A 735 4.204 1.268 -10.384 1.00 0.00 C ATOM 383 O LYS A 735 3.586 0.751 -11.314 1.00 0.00 O ATOM 384 CB LYS A 735 6.350 0.187 -9.686 1.00 0.00 C ATOM 385 CG LYS A 735 6.515 -1.048 -10.556 1.00 0.00 C ATOM 386 CD LYS A 735 7.246 -2.156 -9.816 1.00 0.00 C ATOM 387 CE LYS A 735 7.127 -3.485 -10.543 1.00 0.00 C ATOM 388 NZ LYS A 735 8.365 -4.303 -10.414 1.00 0.00 N ATOM 0 H LYS A 735 5.998 2.708 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 735 6.048 1.357 -11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 735 7.325 0.482 -9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 735 5.729 -0.064 -8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 735 5.535 -1.405 -10.872 1.00 0.00 H new ATOM 0 HG3 LYS A 735 7.066 -0.787 -11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 735 8.298 -1.891 -9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 735 6.839 -2.253 -8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 735 6.280 -4.043 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 735 6.920 -3.304 -11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 8.242 -5.201 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 9.169 -3.782 -10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 8.549 -4.498 -9.409 1.00 0.00 H new ATOM 402 N HIS A 736 3.608 1.759 -9.302 1.00 0.00 N ATOM 403 CA HIS A 736 2.159 1.718 -9.144 1.00 0.00 C ATOM 404 C HIS A 736 1.514 2.976 -9.717 1.00 0.00 C ATOM 405 O HIS A 736 1.568 4.045 -9.108 1.00 0.00 O ATOM 406 CB HIS A 736 1.791 1.569 -7.666 1.00 0.00 C ATOM 407 CG HIS A 736 1.659 0.145 -7.225 1.00 0.00 C ATOM 408 ND1 HIS A 736 2.067 -0.924 -7.994 1.00 0.00 N ATOM 409 CD2 HIS A 736 1.159 -0.386 -6.082 1.00 0.00 C ATOM 410 CE1 HIS A 736 1.824 -2.050 -7.345 1.00 0.00 C ATOM 411 NE2 HIS A 736 1.275 -1.750 -6.183 1.00 0.00 N ATOM 0 H HIS A 736 4.106 2.189 -8.523 1.00 0.00 H new ATOM 0 HA HIS A 736 1.782 0.856 -9.694 1.00 0.00 H new ATOM 0 HB2 HIS A 736 2.552 2.060 -7.059 1.00 0.00 H new ATOM 0 HB3 HIS A 736 0.851 2.088 -7.480 1.00 0.00 H new ATOM 0 HD2 HIS A 736 0.746 0.162 -5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 736 2.038 -3.046 -7.705 1.00 0.00 H new ATOM 0 HE2 HIS A 736 0.984 -2.423 -5.474 1.00 0.00 H new ATOM 420 N ARG A 737 0.904 2.841 -10.890 1.00 0.00 N ATOM 421 CA ARG A 737 0.247 3.967 -11.544 1.00 0.00 C ATOM 422 C ARG A 737 -1.160 3.589 -11.994 1.00 0.00 C ATOM 423 O ARG A 737 -2.148 4.107 -11.474 1.00 0.00 O ATOM 424 CB ARG A 737 1.071 4.437 -12.744 1.00 0.00 C ATOM 425 CG ARG A 737 2.104 5.496 -12.397 1.00 0.00 C ATOM 426 CD ARG A 737 2.321 6.461 -13.550 1.00 0.00 C ATOM 427 NE ARG A 737 2.586 7.821 -13.084 1.00 0.00 N ATOM 428 CZ ARG A 737 2.465 8.904 -13.850 1.00 0.00 C ATOM 429 NH1 ARG A 737 2.086 8.790 -15.116 1.00 0.00 N ATOM 430 NH2 ARG A 737 2.725 10.103 -13.347 1.00 0.00 N ATOM 0 H ARG A 737 0.851 1.963 -11.407 1.00 0.00 H new ATOM 0 HA ARG A 737 0.171 4.781 -10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 737 1.578 3.578 -13.185 1.00 0.00 H new ATOM 0 HB3 ARG A 737 0.397 4.834 -13.503 1.00 0.00 H new ATOM 0 HG2 ARG A 737 1.778 6.048 -11.515 1.00 0.00 H new ATOM 0 HG3 ARG A 737 3.048 5.015 -12.141 1.00 0.00 H new ATOM 0 HD2 ARG A 737 3.158 6.117 -14.158 1.00 0.00 H new ATOM 0 HD3 ARG A 737 1.440 6.463 -14.192 1.00 0.00 H new ATOM 0 HE ARG A 737 2.881 7.948 -12.116 1.00 0.00 H new ATOM 0 HH11 ARG A 737 1.886 7.870 -15.507 1.00 0.00 H new ATOM 0 HH12 ARG A 737 1.995 9.623 -15.698 1.00 0.00 H new ATOM 0 HH21 ARG A 737 3.017 10.195 -12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 737 2.633 10.933 -13.933 1.00 0.00 H new ATOM 444 N ASP A 738 -1.242 2.684 -12.964 1.00 0.00 N ATOM 445 CA ASP A 738 -2.529 2.237 -13.485 1.00 0.00 C ATOM 446 C ASP A 738 -3.305 1.461 -12.425 1.00 0.00 C ATOM 447 O ASP A 738 -4.536 1.486 -12.400 1.00 0.00 O ATOM 448 CB ASP A 738 -2.326 1.365 -14.725 1.00 0.00 C ATOM 449 CG ASP A 738 -1.427 0.175 -14.454 1.00 0.00 C ATOM 450 OD1 ASP A 738 -0.244 0.389 -14.115 1.00 0.00 O ATOM 451 OD2 ASP A 738 -1.906 -0.972 -14.578 1.00 0.00 O ATOM 0 H ASP A 738 -0.433 2.246 -13.405 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.107 3.119 -13.760 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -3.294 1.012 -15.080 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -1.894 1.969 -15.524 1.00 0.00 H new ATOM 456 N ASP A 739 -2.577 0.774 -11.551 1.00 0.00 N ATOM 457 CA ASP A 739 -3.198 -0.010 -10.489 1.00 0.00 C ATOM 458 C ASP A 739 -4.037 0.879 -9.576 1.00 0.00 C ATOM 459 O ASP A 739 -5.140 0.509 -9.177 1.00 0.00 O ATOM 460 CB ASP A 739 -2.129 -0.736 -9.671 1.00 0.00 C ATOM 461 CG ASP A 739 -2.727 -1.644 -8.615 1.00 0.00 C ATOM 462 OD1 ASP A 739 -3.657 -2.408 -8.946 1.00 0.00 O ATOM 463 OD2 ASP A 739 -2.263 -1.593 -7.456 1.00 0.00 O ATOM 0 H ASP A 739 -1.557 0.744 -11.557 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.854 -0.747 -10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -1.501 -1.325 -10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -1.482 -0.002 -9.191 1.00 0.00 H new ATOM 468 N ARG A 740 -3.506 2.052 -9.249 1.00 0.00 N ATOM 469 CA ARG A 740 -4.206 2.994 -8.384 1.00 0.00 C ATOM 470 C ARG A 740 -5.537 3.412 -9.000 1.00 0.00 C ATOM 471 O ARG A 740 -6.534 3.567 -8.297 1.00 0.00 O ATOM 472 CB ARG A 740 -3.338 4.227 -8.127 1.00 0.00 C ATOM 473 CG ARG A 740 -3.506 4.810 -6.734 1.00 0.00 C ATOM 474 CD ARG A 740 -4.491 5.967 -6.728 1.00 0.00 C ATOM 475 NE ARG A 740 -5.822 5.549 -6.291 1.00 0.00 N ATOM 476 CZ ARG A 740 -6.160 5.364 -5.017 1.00 0.00 C ATOM 477 NH1 ARG A 740 -5.270 5.559 -4.052 1.00 0.00 N ATOM 478 NH2 ARG A 740 -7.392 4.986 -4.707 1.00 0.00 N ATOM 0 H ARG A 740 -2.593 2.373 -9.570 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.406 2.497 -7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.291 3.962 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.582 4.992 -8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -3.852 4.033 -6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -2.540 5.152 -6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -4.123 6.753 -6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -4.555 6.394 -7.729 1.00 0.00 H new ATOM 0 HE ARG A 740 -6.533 5.390 -7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -4.321 5.852 -4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -5.535 5.416 -3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -8.081 4.837 -5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -7.652 4.844 -3.731 1.00 0.00 H new ATOM 492 N LEU A 741 -5.544 3.589 -10.317 1.00 0.00 N ATOM 493 CA LEU A 741 -6.755 3.987 -11.026 1.00 0.00 C ATOM 494 C LEU A 741 -7.865 2.964 -10.812 1.00 0.00 C ATOM 495 O LEU A 741 -9.032 3.324 -10.659 1.00 0.00 O ATOM 496 CB LEU A 741 -6.469 4.145 -12.520 1.00 0.00 C ATOM 497 CG LEU A 741 -5.545 5.309 -12.883 1.00 0.00 C ATOM 498 CD1 LEU A 741 -5.121 5.219 -14.341 1.00 0.00 C ATOM 499 CD2 LEU A 741 -6.228 6.638 -12.605 1.00 0.00 C ATOM 0 H LEU A 741 -4.727 3.463 -10.914 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.085 4.946 -10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -6.026 3.220 -12.889 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.416 4.276 -13.044 1.00 0.00 H new ATOM 0 HG LEU A 741 -4.651 5.246 -12.262 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -4.464 6.055 -14.581 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.591 4.281 -14.509 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -6.004 5.256 -14.980 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -5.556 7.455 -12.869 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -7.139 6.711 -13.200 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -6.480 6.703 -11.547 1.00 0.00 H new ATOM 511 N LEU A 742 -7.493 1.689 -10.800 1.00 0.00 N ATOM 512 CA LEU A 742 -8.457 0.615 -10.598 1.00 0.00 C ATOM 513 C LEU A 742 -9.172 0.781 -9.261 1.00 0.00 C ATOM 514 O LEU A 742 -10.351 0.452 -9.132 1.00 0.00 O ATOM 515 CB LEU A 742 -7.759 -0.746 -10.652 1.00 0.00 C ATOM 516 CG LEU A 742 -7.624 -1.347 -12.053 1.00 0.00 C ATOM 517 CD1 LEU A 742 -8.994 -1.677 -12.626 1.00 0.00 C ATOM 518 CD2 LEU A 742 -6.874 -0.395 -12.970 1.00 0.00 C ATOM 0 H LEU A 742 -6.531 1.374 -10.928 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.196 0.664 -11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.764 -0.645 -10.219 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.310 -1.446 -10.024 1.00 0.00 H new ATOM 0 HG LEU A 742 -7.053 -2.272 -11.978 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -8.879 -2.103 -13.623 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -9.495 -2.397 -11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -9.591 -0.767 -12.688 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -6.787 -0.838 -13.962 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -7.418 0.547 -13.040 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -5.878 -0.210 -12.567 1.00 0.00 H new ATOM 530 N GLN A 743 -8.450 1.297 -8.273 1.00 0.00 N ATOM 531 CA GLN A 743 -9.015 1.514 -6.948 1.00 0.00 C ATOM 532 C GLN A 743 -10.169 2.509 -7.009 1.00 0.00 C ATOM 533 O GLN A 743 -11.238 2.272 -6.448 1.00 0.00 O ATOM 534 CB GLN A 743 -7.939 2.019 -5.986 1.00 0.00 C ATOM 535 CG GLN A 743 -6.676 1.173 -5.987 1.00 0.00 C ATOM 536 CD GLN A 743 -6.955 -0.291 -5.710 1.00 0.00 C ATOM 537 OE1 GLN A 743 -7.148 -0.692 -4.562 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.976 -1.099 -6.764 1.00 0.00 N ATOM 0 H GLN A 743 -7.472 1.573 -8.365 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.398 0.561 -6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.680 3.044 -6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.349 2.044 -4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.180 1.268 -6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -5.986 1.556 -5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -6.811 -0.723 -7.698 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -7.157 -2.095 -6.640 1.00 0.00 H new ATOM 547 N ALA A 744 -9.943 3.626 -7.696 1.00 0.00 N ATOM 548 CA ALA A 744 -10.962 4.657 -7.832 1.00 0.00 C ATOM 549 C ALA A 744 -12.099 4.189 -8.731 1.00 0.00 C ATOM 550 O ALA A 744 -13.273 4.323 -8.385 1.00 0.00 O ATOM 551 CB ALA A 744 -10.348 5.938 -8.376 1.00 0.00 C ATOM 0 H ALA A 744 -9.063 3.838 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.375 4.857 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.122 6.700 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.575 6.290 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.907 5.743 -9.353 1.00 0.00 H new ATOM 557 N LEU A 745 -11.746 3.635 -9.887 1.00 0.00 N ATOM 558 CA LEU A 745 -12.740 3.143 -10.834 1.00 0.00 C ATOM 559 C LEU A 745 -13.581 2.041 -10.204 1.00 0.00 C ATOM 560 O LEU A 745 -14.806 2.029 -10.331 1.00 0.00 O ATOM 561 CB LEU A 745 -12.057 2.621 -12.101 1.00 0.00 C ATOM 562 CG LEU A 745 -11.052 3.580 -12.743 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.926 2.806 -13.416 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.749 4.488 -13.746 1.00 0.00 C ATOM 0 H LEU A 745 -10.779 3.516 -10.190 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.395 3.972 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.544 1.690 -11.860 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.825 2.380 -12.836 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.619 4.200 -11.958 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.222 3.506 -13.866 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.409 2.198 -12.674 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.340 2.160 -14.190 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -11.020 5.164 -14.193 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.209 3.882 -14.527 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.518 5.069 -13.237 1.00 0.00 H new ATOM 576 N MET A 746 -12.917 1.114 -9.520 1.00 0.00 N ATOM 577 CA MET A 746 -13.605 0.007 -8.866 1.00 0.00 C ATOM 578 C MET A 746 -14.425 0.503 -7.678 1.00 0.00 C ATOM 579 O MET A 746 -15.454 -0.080 -7.338 1.00 0.00 O ATOM 580 CB MET A 746 -12.596 -1.045 -8.401 1.00 0.00 C ATOM 581 CG MET A 746 -11.904 -1.772 -9.543 1.00 0.00 C ATOM 582 SD MET A 746 -12.715 -3.324 -9.972 1.00 0.00 S ATOM 583 CE MET A 746 -12.154 -4.379 -8.637 1.00 0.00 C ATOM 0 H MET A 746 -11.904 1.108 -9.405 1.00 0.00 H new ATOM 0 HA MET A 746 -14.283 -0.446 -9.589 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.842 -0.563 -7.779 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.108 -1.775 -7.774 1.00 0.00 H new ATOM 0 HG2 MET A 746 -11.881 -1.124 -10.420 1.00 0.00 H new ATOM 0 HG3 MET A 746 -10.869 -1.972 -9.267 1.00 0.00 H new ATOM 0 HE1 MET A 746 -12.438 -5.411 -8.845 1.00 0.00 H new ATOM 0 HE2 MET A 746 -11.069 -4.311 -8.551 1.00 0.00 H new ATOM 0 HE3 MET A 746 -12.613 -4.058 -7.702 1.00 0.00 H new ATOM 593 N ASP A 747 -13.963 1.582 -7.054 1.00 0.00 N ATOM 594 CA ASP A 747 -14.656 2.153 -5.905 1.00 0.00 C ATOM 595 C ASP A 747 -16.067 2.590 -6.284 1.00 0.00 C ATOM 596 O ASP A 747 -17.024 2.337 -5.553 1.00 0.00 O ATOM 597 CB ASP A 747 -13.873 3.345 -5.351 1.00 0.00 C ATOM 598 CG ASP A 747 -14.506 3.924 -4.101 1.00 0.00 C ATOM 599 OD1 ASP A 747 -15.485 4.689 -4.231 1.00 0.00 O ATOM 600 OD2 ASP A 747 -14.023 3.612 -2.992 1.00 0.00 O ATOM 0 H ASP A 747 -13.113 2.078 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.726 1.384 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.853 3.033 -5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.809 4.120 -6.115 1.00 0.00 H new ATOM 605 N ILE A 748 -16.189 3.249 -7.433 1.00 0.00 N ATOM 606 CA ILE A 748 -17.483 3.722 -7.909 1.00 0.00 C ATOM 607 C ILE A 748 -18.439 2.557 -8.141 1.00 0.00 C ATOM 608 O ILE A 748 -19.577 2.572 -7.671 1.00 0.00 O ATOM 609 CB ILE A 748 -17.341 4.525 -9.217 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.276 5.613 -9.063 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.678 5.137 -9.612 1.00 0.00 C ATOM 612 CD1 ILE A 748 -15.376 5.752 -10.272 1.00 0.00 C ATOM 0 H ILE A 748 -15.407 3.467 -8.051 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.888 4.374 -7.135 1.00 0.00 H new ATOM 0 HB ILE A 748 -17.026 3.845 -10.009 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.768 6.567 -8.874 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.665 5.391 -8.188 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.561 5.701 -10.538 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.411 4.344 -9.760 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -19.020 5.805 -8.821 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -14.646 6.541 -10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -14.857 4.810 -10.449 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -15.977 6.005 -11.146 1.00 0.00 H new ATOM 624 N LEU A 749 -17.971 1.549 -8.871 1.00 0.00 N ATOM 625 CA LEU A 749 -18.786 0.377 -9.165 1.00 0.00 C ATOM 626 C LEU A 749 -19.177 -0.352 -7.883 1.00 0.00 C ATOM 627 O LEU A 749 -20.300 -0.839 -7.753 1.00 0.00 O ATOM 628 CB LEU A 749 -18.030 -0.575 -10.096 1.00 0.00 C ATOM 629 CG LEU A 749 -17.668 0.008 -11.464 1.00 0.00 C ATOM 630 CD1 LEU A 749 -16.373 -0.600 -11.977 1.00 0.00 C ATOM 631 CD2 LEU A 749 -18.798 -0.222 -12.455 1.00 0.00 C ATOM 0 H LEU A 749 -17.032 1.521 -9.269 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.696 0.715 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -17.113 -0.893 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -18.636 -1.468 -10.248 1.00 0.00 H new ATOM 0 HG LEU A 749 -17.521 1.082 -11.354 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -16.131 -0.174 -12.951 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -15.567 -0.384 -11.276 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -16.491 -1.679 -12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -18.525 0.199 -13.423 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -18.976 -1.292 -12.562 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -19.704 0.262 -12.092 1.00 0.00 H new ATOM 643 N ASN A 750 -18.243 -0.422 -6.940 1.00 0.00 N ATOM 644 CA ASN A 750 -18.490 -1.090 -5.668 1.00 0.00 C ATOM 645 C ASN A 750 -19.644 -0.430 -4.922 1.00 0.00 C ATOM 646 O ASN A 750 -20.627 -1.085 -4.574 1.00 0.00 O ATOM 647 CB ASN A 750 -17.228 -1.067 -4.803 1.00 0.00 C ATOM 648 CG ASN A 750 -17.047 -2.346 -4.010 1.00 0.00 C ATOM 649 OD1 ASN A 750 -15.977 -2.955 -4.028 1.00 0.00 O ATOM 650 ND2 ASN A 750 -18.096 -2.763 -3.310 1.00 0.00 N ATOM 0 H ASN A 750 -17.308 -0.024 -7.033 1.00 0.00 H new ATOM 0 HA ASN A 750 -18.761 -2.125 -5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.357 -0.911 -5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.276 -0.221 -4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -18.034 -3.619 -2.759 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -18.964 -2.227 -3.324 1.00 0.00 H new ATOM 657 N GLU A 751 -19.521 0.870 -4.679 1.00 0.00 N ATOM 658 CA GLU A 751 -20.554 1.619 -3.974 1.00 0.00 C ATOM 659 C GLU A 751 -21.876 1.567 -4.732 1.00 0.00 C ATOM 660 O GLU A 751 -22.949 1.573 -4.129 1.00 0.00 O ATOM 661 CB GLU A 751 -20.119 3.074 -3.783 1.00 0.00 C ATOM 662 CG GLU A 751 -19.869 3.810 -5.088 1.00 0.00 C ATOM 663 CD GLU A 751 -19.566 5.280 -4.880 1.00 0.00 C ATOM 664 OE1 GLU A 751 -18.410 5.606 -4.538 1.00 0.00 O ATOM 665 OE2 GLU A 751 -20.486 6.108 -5.057 1.00 0.00 O ATOM 0 H GLU A 751 -18.715 1.428 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 751 -20.698 1.159 -2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -20.887 3.603 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -19.210 3.097 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -19.035 3.342 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -20.744 3.711 -5.730 1.00 0.00 H new ATOM 672 N GLU A 752 -21.790 1.516 -6.057 1.00 0.00 N ATOM 673 CA GLU A 752 -22.982 1.463 -6.897 1.00 0.00 C ATOM 674 C GLU A 752 -23.853 2.697 -6.686 1.00 0.00 C ATOM 675 O GLU A 752 -24.725 2.712 -5.817 1.00 0.00 O ATOM 676 CB GLU A 752 -23.787 0.198 -6.598 1.00 0.00 C ATOM 677 CG GLU A 752 -23.367 -1.003 -7.430 1.00 0.00 C ATOM 678 CD GLU A 752 -24.369 -2.138 -7.362 1.00 0.00 C ATOM 679 OE1 GLU A 752 -25.568 -1.862 -7.151 1.00 0.00 O ATOM 680 OE2 GLU A 752 -23.953 -3.307 -7.515 1.00 0.00 O ATOM 0 H GLU A 752 -20.910 1.510 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 752 -22.661 1.442 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -23.682 -0.048 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -24.844 0.400 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -23.242 -0.695 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -22.397 -1.359 -7.084 1.00 0.00 H new ATOM 687 N ASN A 753 -23.610 3.731 -7.486 1.00 0.00 N ATOM 688 CA ASN A 753 -24.373 4.970 -7.385 1.00 0.00 C ATOM 689 C ASN A 753 -24.215 5.596 -6.005 1.00 0.00 C ATOM 690 O ASN A 753 -23.289 6.415 -5.830 1.00 0.00 O ATOM 691 CB ASN A 753 -25.853 4.706 -7.673 1.00 0.00 C ATOM 692 CG ASN A 753 -26.195 4.868 -9.141 1.00 0.00 C ATOM 693 OD1 ASN A 753 -26.100 3.920 -9.921 1.00 0.00 O ATOM 694 ND2 ASN A 753 -26.595 6.075 -9.526 1.00 0.00 N ATOM 695 OXT ASN A 753 -25.020 5.263 -5.109 1.00 0.00 O ATOM 0 H ASN A 753 -22.892 3.735 -8.210 1.00 0.00 H new ATOM 0 HA ASN A 753 -23.984 5.668 -8.126 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -26.108 3.696 -7.353 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -26.463 5.391 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -26.838 6.245 -10.502 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -26.659 6.832 -8.846 1.00 0.00 H new TER 702 ASN A 753