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 Set 1.1: A 719 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 722 SER OG : 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= -0.0674 USER MOD Single : A 721 TYR OH : rot 180:sc= 0 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= -0.41 X(o=-0.41,f=-0.22) USER MOD Single : A 731 THR OG1 : rot 180:sc= 0 USER MOD Single : A 732 LYS NZ :NH3+ 152:sc= -0.0238 (180deg=-0.566) 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 :FLIP amide:sc= -0.261 F(o=-0.79,f=-0.26) USER MOD Single : A 746 MET CE :methyl 154:sc= -0.128 (180deg=-0.57) USER MOD Single : A 750 ASN : amide:sc= -0.0522 K(o=-0.052,f=-0.91) USER MOD Single : A 753 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 29.609 4.373 -20.951 1.00 0.00 N ATOM 2 CA SER A 711 30.746 3.438 -21.160 1.00 0.00 C ATOM 3 C SER A 711 32.067 4.193 -21.270 1.00 0.00 C ATOM 4 O SER A 711 32.930 3.840 -22.073 1.00 0.00 O ATOM 5 CB SER A 711 30.489 2.636 -22.438 1.00 0.00 C ATOM 6 OG SER A 711 29.632 1.535 -22.185 1.00 0.00 O ATOM 0 HA SER A 711 30.821 2.768 -20.304 1.00 0.00 H new ATOM 0 HB2 SER A 711 30.042 3.283 -23.193 1.00 0.00 H new ATOM 0 HB3 SER A 711 31.436 2.279 -22.844 1.00 0.00 H new ATOM 0 HG SER A 711 29.482 1.040 -23.017 1.00 0.00 H new ATOM 14 N LYS A 712 32.216 5.234 -20.458 1.00 0.00 N ATOM 15 CA LYS A 712 33.432 6.041 -20.465 1.00 0.00 C ATOM 16 C LYS A 712 33.774 6.520 -19.057 1.00 0.00 C ATOM 17 O LYS A 712 34.329 7.604 -18.879 1.00 0.00 O ATOM 18 CB LYS A 712 33.270 7.240 -21.400 1.00 0.00 C ATOM 19 CG LYS A 712 33.077 6.853 -22.856 1.00 0.00 C ATOM 20 CD LYS A 712 32.621 8.039 -23.692 1.00 0.00 C ATOM 21 CE LYS A 712 32.590 7.699 -25.173 1.00 0.00 C ATOM 22 NZ LYS A 712 32.613 8.919 -26.025 1.00 0.00 N ATOM 0 H LYS A 712 31.511 5.539 -19.787 1.00 0.00 H new ATOM 0 HA LYS A 712 34.250 5.418 -20.826 1.00 0.00 H new ATOM 0 HB2 LYS A 712 32.415 7.832 -21.074 1.00 0.00 H new ATOM 0 HB3 LYS A 712 34.150 7.878 -21.316 1.00 0.00 H new ATOM 0 HG2 LYS A 712 34.012 6.462 -23.257 1.00 0.00 H new ATOM 0 HG3 LYS A 712 32.341 6.052 -22.926 1.00 0.00 H new ATOM 0 HD2 LYS A 712 31.628 8.353 -23.369 1.00 0.00 H new ATOM 0 HD3 LYS A 712 33.292 8.882 -23.525 1.00 0.00 H new ATOM 0 HE2 LYS A 712 33.445 7.069 -25.418 1.00 0.00 H new ATOM 0 HE3 LYS A 712 31.693 7.120 -25.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 32.591 8.643 -27.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 31.784 9.508 -25.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 33.481 9.459 -25.834 1.00 0.00 H new ATOM 36 N LEU A 713 33.437 5.706 -18.061 1.00 0.00 N ATOM 37 CA LEU A 713 33.708 6.048 -16.671 1.00 0.00 C ATOM 38 C LEU A 713 34.861 5.215 -16.121 1.00 0.00 C ATOM 39 O LEU A 713 35.093 4.089 -16.561 1.00 0.00 O ATOM 40 CB LEU A 713 32.456 5.834 -15.818 1.00 0.00 C ATOM 41 CG LEU A 713 31.207 6.571 -16.303 1.00 0.00 C ATOM 42 CD1 LEU A 713 29.954 5.774 -15.970 1.00 0.00 C ATOM 43 CD2 LEU A 713 31.137 7.961 -15.688 1.00 0.00 C ATOM 0 H LEU A 713 32.976 4.806 -18.192 1.00 0.00 H new ATOM 0 HA LEU A 713 33.992 7.100 -16.630 1.00 0.00 H new ATOM 0 HB2 LEU A 713 32.238 4.767 -15.782 1.00 0.00 H new ATOM 0 HB3 LEU A 713 32.672 6.150 -14.797 1.00 0.00 H new ATOM 0 HG LEU A 713 31.268 6.677 -17.386 1.00 0.00 H new ATOM 0 HD11 LEU A 713 29.075 6.314 -16.323 1.00 0.00 H new ATOM 0 HD12 LEU A 713 30.002 4.800 -16.458 1.00 0.00 H new ATOM 0 HD13 LEU A 713 29.886 5.636 -14.891 1.00 0.00 H new ATOM 0 HD21 LEU A 713 30.242 8.472 -16.044 1.00 0.00 H new ATOM 0 HD22 LEU A 713 31.099 7.877 -14.602 1.00 0.00 H new ATOM 0 HD23 LEU A 713 32.020 8.532 -15.977 1.00 0.00 H new ATOM 55 N GLU A 714 35.582 5.776 -15.156 1.00 0.00 N ATOM 56 CA GLU A 714 36.712 5.086 -14.544 1.00 0.00 C ATOM 57 C GLU A 714 36.799 5.397 -13.054 1.00 0.00 C ATOM 58 O GLU A 714 37.886 5.426 -12.478 1.00 0.00 O ATOM 59 CB GLU A 714 38.016 5.486 -15.238 1.00 0.00 C ATOM 60 CG GLU A 714 38.312 4.674 -16.488 1.00 0.00 C ATOM 61 CD GLU A 714 39.233 5.401 -17.450 1.00 0.00 C ATOM 62 OE1 GLU A 714 38.763 6.344 -18.122 1.00 0.00 O ATOM 63 OE2 GLU A 714 40.422 5.029 -17.530 1.00 0.00 O ATOM 0 H GLU A 714 35.404 6.707 -14.780 1.00 0.00 H new ATOM 0 HA GLU A 714 36.558 4.013 -14.663 1.00 0.00 H new ATOM 0 HB2 GLU A 714 37.968 6.542 -15.504 1.00 0.00 H new ATOM 0 HB3 GLU A 714 38.842 5.371 -14.536 1.00 0.00 H new ATOM 0 HG2 GLU A 714 38.767 3.726 -16.202 1.00 0.00 H new ATOM 0 HG3 GLU A 714 37.376 4.439 -16.994 1.00 0.00 H new ATOM 70 N GLY A 715 35.645 5.628 -12.435 1.00 0.00 N ATOM 71 CA GLY A 715 35.614 5.934 -11.017 1.00 0.00 C ATOM 72 C GLY A 715 35.027 4.806 -10.192 1.00 0.00 C ATOM 73 O GLY A 715 35.196 3.632 -10.525 1.00 0.00 O ATOM 0 H GLY A 715 34.732 5.609 -12.890 1.00 0.00 H new ATOM 0 HA2 GLY A 715 36.626 6.143 -10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 715 35.029 6.840 -10.857 1.00 0.00 H new ATOM 77 N SER A 716 34.338 5.159 -9.113 1.00 0.00 N ATOM 78 CA SER A 716 33.725 4.166 -8.238 1.00 0.00 C ATOM 79 C SER A 716 32.210 4.148 -8.413 1.00 0.00 C ATOM 80 O SER A 716 31.626 5.091 -8.947 1.00 0.00 O ATOM 81 CB SER A 716 34.077 4.456 -6.778 1.00 0.00 C ATOM 82 OG SER A 716 33.515 3.482 -5.915 1.00 0.00 O ATOM 0 H SER A 716 34.190 6.126 -8.823 1.00 0.00 H new ATOM 0 HA SER A 716 34.116 3.186 -8.512 1.00 0.00 H new ATOM 0 HB2 SER A 716 35.160 4.471 -6.658 1.00 0.00 H new ATOM 0 HB3 SER A 716 33.712 5.445 -6.502 1.00 0.00 H new ATOM 0 HG SER A 716 33.756 3.689 -4.988 1.00 0.00 H new ATOM 88 N GLU A 717 31.579 3.069 -7.960 1.00 0.00 N ATOM 89 CA GLU A 717 30.131 2.929 -8.066 1.00 0.00 C ATOM 90 C GLU A 717 29.452 3.292 -6.750 1.00 0.00 C ATOM 91 O GLU A 717 29.671 2.642 -5.726 1.00 0.00 O ATOM 92 CB GLU A 717 29.766 1.498 -8.467 1.00 0.00 C ATOM 93 CG GLU A 717 30.498 0.436 -7.664 1.00 0.00 C ATOM 94 CD GLU A 717 31.654 -0.180 -8.428 1.00 0.00 C ATOM 95 OE1 GLU A 717 32.355 0.565 -9.144 1.00 0.00 O ATOM 96 OE2 GLU A 717 31.855 -1.407 -8.313 1.00 0.00 O ATOM 0 H GLU A 717 32.048 2.279 -7.516 1.00 0.00 H new ATOM 0 HA GLU A 717 29.778 3.616 -8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 717 28.692 1.358 -8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 717 29.987 1.358 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 717 30.872 0.878 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 717 29.796 -0.348 -7.381 1.00 0.00 H new ATOM 103 N ASP A 718 28.625 4.331 -6.783 1.00 0.00 N ATOM 104 CA ASP A 718 27.912 4.780 -5.593 1.00 0.00 C ATOM 105 C ASP A 718 26.446 4.362 -5.646 1.00 0.00 C ATOM 106 O ASP A 718 25.936 3.986 -6.701 1.00 0.00 O ATOM 107 CB ASP A 718 28.017 6.300 -5.454 1.00 0.00 C ATOM 108 CG ASP A 718 28.145 6.740 -4.008 1.00 0.00 C ATOM 109 OD1 ASP A 718 28.768 6.001 -3.216 1.00 0.00 O ATOM 110 OD2 ASP A 718 27.623 7.823 -3.669 1.00 0.00 O ATOM 0 H ASP A 718 28.432 4.879 -7.622 1.00 0.00 H new ATOM 0 HA ASP A 718 28.373 4.310 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 718 28.880 6.655 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 718 27.135 6.764 -5.896 1.00 0.00 H new ATOM 115 N SER A 719 25.775 4.432 -4.500 1.00 0.00 N ATOM 116 CA SER A 719 24.368 4.061 -4.415 1.00 0.00 C ATOM 117 C SER A 719 23.813 4.351 -3.025 1.00 0.00 C ATOM 118 O SER A 719 22.993 3.594 -2.504 1.00 0.00 O ATOM 119 CB SER A 719 24.188 2.579 -4.752 1.00 0.00 C ATOM 120 OG SER A 719 22.920 2.340 -5.336 1.00 0.00 O ATOM 0 H SER A 719 26.184 4.742 -3.618 1.00 0.00 H new ATOM 0 HA SER A 719 23.815 4.660 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 719 24.973 2.261 -5.437 1.00 0.00 H new ATOM 0 HB3 SER A 719 24.293 1.981 -3.847 1.00 0.00 H new ATOM 0 HG SER A 719 22.830 1.386 -5.544 1.00 0.00 H new ATOM 126 N LEU A 720 24.265 5.450 -2.430 1.00 0.00 N ATOM 127 CA LEU A 720 23.813 5.841 -1.100 1.00 0.00 C ATOM 128 C LEU A 720 22.350 6.272 -1.126 1.00 0.00 C ATOM 129 O LEU A 720 21.621 6.091 -0.150 1.00 0.00 O ATOM 130 CB LEU A 720 24.681 6.975 -0.556 1.00 0.00 C ATOM 131 CG LEU A 720 25.947 6.529 0.179 1.00 0.00 C ATOM 132 CD1 LEU A 720 25.586 5.780 1.453 1.00 0.00 C ATOM 133 CD2 LEU A 720 26.809 5.662 -0.726 1.00 0.00 C ATOM 0 H LEU A 720 24.944 6.086 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 720 23.906 4.975 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 720 24.970 7.621 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 720 24.079 7.579 0.123 1.00 0.00 H new ATOM 0 HG LEU A 720 26.519 7.415 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 720 26.498 5.470 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 720 25.008 6.432 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 720 24.993 4.900 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 720 27.705 5.353 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 720 26.245 4.779 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 720 27.095 6.231 -1.611 1.00 0.00 H new ATOM 145 N TYR A 721 21.926 6.842 -2.250 1.00 0.00 N ATOM 146 CA TYR A 721 20.550 7.301 -2.402 1.00 0.00 C ATOM 147 C TYR A 721 19.919 6.715 -3.661 1.00 0.00 C ATOM 148 O TYR A 721 19.810 7.390 -4.685 1.00 0.00 O ATOM 149 CB TYR A 721 20.502 8.829 -2.455 1.00 0.00 C ATOM 150 CG TYR A 721 20.279 9.475 -1.107 1.00 0.00 C ATOM 151 CD1 TYR A 721 21.352 9.806 -0.288 1.00 0.00 C ATOM 152 CD2 TYR A 721 18.997 9.754 -0.651 1.00 0.00 C ATOM 153 CE1 TYR A 721 21.152 10.396 0.946 1.00 0.00 C ATOM 154 CE2 TYR A 721 18.789 10.345 0.580 1.00 0.00 C ATOM 155 CZ TYR A 721 19.870 10.664 1.374 1.00 0.00 C ATOM 156 OH TYR A 721 19.667 11.252 2.602 1.00 0.00 O ATOM 0 H TYR A 721 22.515 6.997 -3.068 1.00 0.00 H new ATOM 0 HA TYR A 721 19.980 6.958 -1.538 1.00 0.00 H new ATOM 0 HB2 TYR A 721 21.437 9.199 -2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 721 19.705 9.136 -3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 721 22.358 9.599 -0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 721 18.148 9.504 -1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 721 21.996 10.646 1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 721 17.785 10.556 0.919 1.00 0.00 H new ATOM 0 HH TYR A 721 18.706 11.374 2.752 1.00 0.00 H new ATOM 166 N SER A 722 19.501 5.455 -3.577 1.00 0.00 N ATOM 167 CA SER A 722 18.879 4.777 -4.710 1.00 0.00 C ATOM 168 C SER A 722 17.660 5.550 -5.212 1.00 0.00 C ATOM 169 O SER A 722 17.258 5.406 -6.364 1.00 0.00 O ATOM 170 CB SER A 722 18.469 3.357 -4.317 1.00 0.00 C ATOM 171 OG SER A 722 19.579 2.478 -4.346 1.00 0.00 O ATOM 0 H SER A 722 19.582 4.883 -2.736 1.00 0.00 H new ATOM 0 HA SER A 722 19.611 4.729 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 722 18.034 3.365 -3.318 1.00 0.00 H new ATOM 0 HB3 SER A 722 17.698 2.996 -4.998 1.00 0.00 H new ATOM 0 HG SER A 722 19.290 1.578 -4.089 1.00 0.00 H new ATOM 177 N ASP A 723 17.078 6.371 -4.342 1.00 0.00 N ATOM 178 CA ASP A 723 15.910 7.163 -4.707 1.00 0.00 C ATOM 179 C ASP A 723 16.253 8.145 -5.822 1.00 0.00 C ATOM 180 O ASP A 723 15.655 8.113 -6.899 1.00 0.00 O ATOM 181 CB ASP A 723 15.380 7.921 -3.488 1.00 0.00 C ATOM 182 CG ASP A 723 14.989 6.993 -2.355 1.00 0.00 C ATOM 183 OD1 ASP A 723 15.615 5.920 -2.224 1.00 0.00 O ATOM 184 OD2 ASP A 723 14.057 7.338 -1.598 1.00 0.00 O ATOM 0 H ASP A 723 17.396 6.504 -3.382 1.00 0.00 H new ATOM 0 HA ASP A 723 15.136 6.485 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 723 16.142 8.617 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 723 14.515 8.516 -3.781 1.00 0.00 H new ATOM 189 N TYR A 724 17.223 9.014 -5.558 1.00 0.00 N ATOM 190 CA TYR A 724 17.654 10.004 -6.534 1.00 0.00 C ATOM 191 C TYR A 724 18.354 9.327 -7.713 1.00 0.00 C ATOM 192 O TYR A 724 18.291 9.806 -8.845 1.00 0.00 O ATOM 193 CB TYR A 724 18.590 11.023 -5.870 1.00 0.00 C ATOM 194 CG TYR A 724 19.598 11.641 -6.812 1.00 0.00 C ATOM 195 CD1 TYR A 724 20.778 10.978 -7.123 1.00 0.00 C ATOM 196 CD2 TYR A 724 19.366 12.878 -7.397 1.00 0.00 C ATOM 197 CE1 TYR A 724 21.700 11.531 -7.987 1.00 0.00 C ATOM 198 CE2 TYR A 724 20.282 13.440 -8.262 1.00 0.00 C ATOM 199 CZ TYR A 724 21.449 12.763 -8.555 1.00 0.00 C ATOM 200 OH TYR A 724 22.365 13.320 -9.419 1.00 0.00 O ATOM 0 H TYR A 724 17.727 9.051 -4.672 1.00 0.00 H new ATOM 0 HA TYR A 724 16.775 10.527 -6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 724 17.989 11.817 -5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 724 19.123 10.533 -5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 724 20.977 10.013 -6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 724 18.453 13.409 -7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 724 22.613 11.003 -8.218 1.00 0.00 H new ATOM 0 HE2 TYR A 724 20.087 14.404 -8.708 1.00 0.00 H new ATOM 0 HH TYR A 724 22.035 14.188 -9.731 1.00 0.00 H new ATOM 210 N VAL A 725 19.019 8.212 -7.436 1.00 0.00 N ATOM 211 CA VAL A 725 19.732 7.468 -8.465 1.00 0.00 C ATOM 212 C VAL A 725 18.764 6.682 -9.345 1.00 0.00 C ATOM 213 O VAL A 725 19.006 6.491 -10.537 1.00 0.00 O ATOM 214 CB VAL A 725 20.760 6.504 -7.837 1.00 0.00 C ATOM 215 CG1 VAL A 725 21.385 5.601 -8.893 1.00 0.00 C ATOM 216 CG2 VAL A 725 21.834 7.286 -7.096 1.00 0.00 C ATOM 0 H VAL A 725 19.079 7.803 -6.504 1.00 0.00 H new ATOM 0 HA VAL A 725 20.260 8.193 -9.084 1.00 0.00 H new ATOM 0 HB VAL A 725 20.236 5.868 -7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 725 22.105 4.933 -8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 725 20.605 5.011 -9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 725 21.892 6.212 -9.640 1.00 0.00 H new ATOM 0 HG21 VAL A 725 22.552 6.593 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 725 22.348 7.949 -7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 725 21.373 7.878 -6.305 1.00 0.00 H new ATOM 226 N ASP A 726 17.663 6.233 -8.751 1.00 0.00 N ATOM 227 CA ASP A 726 16.657 5.470 -9.482 1.00 0.00 C ATOM 228 C ASP A 726 16.004 6.327 -10.561 1.00 0.00 C ATOM 229 O ASP A 726 15.526 5.812 -11.572 1.00 0.00 O ATOM 230 CB ASP A 726 15.592 4.939 -8.522 1.00 0.00 C ATOM 231 CG ASP A 726 15.953 3.583 -7.948 1.00 0.00 C ATOM 232 OD1 ASP A 726 17.158 3.253 -7.918 1.00 0.00 O ATOM 233 OD2 ASP A 726 15.032 2.850 -7.531 1.00 0.00 O ATOM 0 H ASP A 726 17.445 6.384 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 726 17.154 4.628 -9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 726 15.455 5.650 -7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 726 14.639 4.866 -9.046 1.00 0.00 H new ATOM 238 N VAL A 727 15.987 7.638 -10.341 1.00 0.00 N ATOM 239 CA VAL A 727 15.392 8.567 -11.295 1.00 0.00 C ATOM 240 C VAL A 727 16.070 8.465 -12.658 1.00 0.00 C ATOM 241 O VAL A 727 15.451 8.723 -13.690 1.00 0.00 O ATOM 242 CB VAL A 727 15.484 10.022 -10.795 1.00 0.00 C ATOM 243 CG1 VAL A 727 14.727 10.957 -11.728 1.00 0.00 C ATOM 244 CG2 VAL A 727 14.956 10.134 -9.372 1.00 0.00 C ATOM 0 H VAL A 727 16.379 8.081 -9.510 1.00 0.00 H new ATOM 0 HA VAL A 727 14.342 8.291 -11.393 1.00 0.00 H new ATOM 0 HB VAL A 727 16.533 10.319 -10.792 1.00 0.00 H new ATOM 0 HG11 VAL A 727 14.803 11.980 -11.359 1.00 0.00 H new ATOM 0 HG12 VAL A 727 15.157 10.899 -12.728 1.00 0.00 H new ATOM 0 HG13 VAL A 727 13.678 10.662 -11.766 1.00 0.00 H new ATOM 0 HG21 VAL A 727 15.029 11.169 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 727 13.914 9.817 -9.345 1.00 0.00 H new ATOM 0 HG23 VAL A 727 15.546 9.497 -8.714 1.00 0.00 H new ATOM 254 N PHE A 728 17.345 8.087 -12.655 1.00 0.00 N ATOM 255 CA PHE A 728 18.105 7.952 -13.892 1.00 0.00 C ATOM 256 C PHE A 728 17.812 6.614 -14.565 1.00 0.00 C ATOM 257 O PHE A 728 17.854 6.503 -15.789 1.00 0.00 O ATOM 258 CB PHE A 728 19.602 8.078 -13.612 1.00 0.00 C ATOM 259 CG PHE A 728 19.999 9.420 -13.064 1.00 0.00 C ATOM 260 CD1 PHE A 728 19.857 9.702 -11.715 1.00 0.00 C ATOM 261 CD2 PHE A 728 20.515 10.398 -13.899 1.00 0.00 C ATOM 262 CE1 PHE A 728 20.221 10.936 -11.209 1.00 0.00 C ATOM 263 CE2 PHE A 728 20.881 11.633 -13.399 1.00 0.00 C ATOM 264 CZ PHE A 728 20.735 11.903 -12.052 1.00 0.00 C ATOM 0 H PHE A 728 17.873 7.869 -11.810 1.00 0.00 H new ATOM 0 HA PHE A 728 17.801 8.753 -14.566 1.00 0.00 H new ATOM 0 HB2 PHE A 728 19.898 7.304 -12.904 1.00 0.00 H new ATOM 0 HB3 PHE A 728 20.153 7.894 -14.534 1.00 0.00 H new ATOM 0 HD1 PHE A 728 19.458 8.949 -11.051 1.00 0.00 H new ATOM 0 HD2 PHE A 728 20.632 10.193 -14.953 1.00 0.00 H new ATOM 0 HE1 PHE A 728 20.104 11.144 -10.156 1.00 0.00 H new ATOM 0 HE2 PHE A 728 21.281 12.387 -14.061 1.00 0.00 H new ATOM 0 HZ PHE A 728 21.022 12.867 -11.659 1.00 0.00 H new ATOM 274 N TYR A 729 17.518 5.604 -13.755 1.00 0.00 N ATOM 275 CA TYR A 729 17.219 4.273 -14.273 1.00 0.00 C ATOM 276 C TYR A 729 15.966 4.296 -15.144 1.00 0.00 C ATOM 277 O TYR A 729 15.934 3.694 -16.217 1.00 0.00 O ATOM 278 CB TYR A 729 17.035 3.284 -13.120 1.00 0.00 C ATOM 279 CG TYR A 729 18.304 2.553 -12.740 1.00 0.00 C ATOM 280 CD1 TYR A 729 18.824 1.555 -13.554 1.00 0.00 C ATOM 281 CD2 TYR A 729 18.981 2.862 -11.567 1.00 0.00 C ATOM 282 CE1 TYR A 729 19.983 0.886 -13.209 1.00 0.00 C ATOM 283 CE2 TYR A 729 20.140 2.198 -11.216 1.00 0.00 C ATOM 284 CZ TYR A 729 20.636 1.210 -12.040 1.00 0.00 C ATOM 285 OH TYR A 729 21.792 0.547 -11.693 1.00 0.00 O ATOM 0 H TYR A 729 17.480 5.680 -12.739 1.00 0.00 H new ATOM 0 HA TYR A 729 18.060 3.952 -14.887 1.00 0.00 H new ATOM 0 HB2 TYR A 729 16.660 3.821 -12.249 1.00 0.00 H new ATOM 0 HB3 TYR A 729 16.274 2.554 -13.397 1.00 0.00 H new ATOM 0 HD1 TYR A 729 18.315 1.298 -14.471 1.00 0.00 H new ATOM 0 HD2 TYR A 729 18.595 3.634 -10.919 1.00 0.00 H new ATOM 0 HE1 TYR A 729 20.375 0.113 -13.853 1.00 0.00 H new ATOM 0 HE2 TYR A 729 20.655 2.451 -10.301 1.00 0.00 H new ATOM 0 HH TYR A 729 22.126 0.897 -10.841 1.00 0.00 H new ATOM 295 N ASN A 730 14.939 4.996 -14.673 1.00 0.00 N ATOM 296 CA ASN A 730 13.684 5.099 -15.411 1.00 0.00 C ATOM 297 C ASN A 730 13.057 3.724 -15.610 1.00 0.00 C ATOM 298 O ASN A 730 12.461 3.447 -16.653 1.00 0.00 O ATOM 299 CB ASN A 730 13.918 5.769 -16.766 1.00 0.00 C ATOM 300 CG ASN A 730 12.632 6.269 -17.393 1.00 0.00 C ATOM 301 OD1 ASN A 730 12.313 5.937 -18.535 1.00 0.00 O ATOM 302 ND2 ASN A 730 11.883 7.075 -16.646 1.00 0.00 N ATOM 0 H ASN A 730 14.950 5.499 -13.786 1.00 0.00 H new ATOM 0 HA ASN A 730 12.996 5.710 -14.827 1.00 0.00 H new ATOM 0 HB2 ASN A 730 14.607 6.604 -16.641 1.00 0.00 H new ATOM 0 HB3 ASN A 730 14.396 5.060 -17.441 1.00 0.00 H new ATOM 0 HD21 ASN A 730 11.006 7.444 -17.015 1.00 0.00 H new ATOM 0 HD22 ASN A 730 12.185 7.325 -15.704 1.00 0.00 H new ATOM 309 N THR A 731 13.194 2.864 -14.607 1.00 0.00 N ATOM 310 CA THR A 731 12.639 1.516 -14.672 1.00 0.00 C ATOM 311 C THR A 731 12.212 1.036 -13.289 1.00 0.00 C ATOM 312 O THR A 731 12.695 1.533 -12.271 1.00 0.00 O ATOM 313 CB THR A 731 13.665 0.550 -15.266 1.00 0.00 C ATOM 314 OG1 THR A 731 14.973 0.880 -14.838 1.00 0.00 O ATOM 315 CG2 THR A 731 13.668 0.536 -16.779 1.00 0.00 C ATOM 0 H THR A 731 13.685 3.076 -13.738 1.00 0.00 H new ATOM 0 HA THR A 731 11.759 1.542 -15.315 1.00 0.00 H new ATOM 0 HB THR A 731 13.370 -0.437 -14.909 1.00 0.00 H new ATOM 0 HG1 THR A 731 15.614 0.249 -15.228 1.00 0.00 H new ATOM 0 HG21 THR A 731 14.418 -0.170 -17.135 1.00 0.00 H new ATOM 0 HG22 THR A 731 12.685 0.235 -17.142 1.00 0.00 H new ATOM 0 HG23 THR A 731 13.902 1.533 -17.152 1.00 0.00 H new ATOM 323 N LYS A 732 11.302 0.067 -13.260 1.00 0.00 N ATOM 324 CA LYS A 732 10.810 -0.480 -12.002 1.00 0.00 C ATOM 325 C LYS A 732 10.137 0.604 -11.162 1.00 0.00 C ATOM 326 O LYS A 732 10.777 1.237 -10.324 1.00 0.00 O ATOM 327 CB LYS A 732 11.956 -1.114 -11.214 1.00 0.00 C ATOM 328 CG LYS A 732 12.249 -2.550 -11.615 1.00 0.00 C ATOM 329 CD LYS A 732 11.493 -3.539 -10.743 1.00 0.00 C ATOM 330 CE LYS A 732 10.997 -4.727 -11.550 1.00 0.00 C ATOM 331 NZ LYS A 732 12.054 -5.269 -12.448 1.00 0.00 N ATOM 0 H LYS A 732 10.891 -0.355 -14.093 1.00 0.00 H new ATOM 0 HA LYS A 732 10.070 -1.246 -12.233 1.00 0.00 H new ATOM 0 HB2 LYS A 732 12.856 -0.516 -11.354 1.00 0.00 H new ATOM 0 HB3 LYS A 732 11.715 -1.084 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 732 11.974 -2.700 -12.659 1.00 0.00 H new ATOM 0 HG3 LYS A 732 13.320 -2.739 -11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 732 12.142 -3.889 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 732 10.647 -3.038 -10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 732 10.660 -5.511 -10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 732 10.134 -4.427 -12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 11.887 -6.283 -12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 12.028 -4.765 -13.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 12.986 -5.138 -12.006 1.00 0.00 H new ATOM 345 N PRO A 733 8.829 0.830 -11.378 1.00 0.00 N ATOM 346 CA PRO A 733 8.070 1.843 -10.637 1.00 0.00 C ATOM 347 C PRO A 733 8.225 1.692 -9.127 1.00 0.00 C ATOM 348 O PRO A 733 8.260 0.578 -8.605 1.00 0.00 O ATOM 349 CB PRO A 733 6.622 1.581 -11.054 1.00 0.00 C ATOM 350 CG PRO A 733 6.724 0.931 -12.390 1.00 0.00 C ATOM 351 CD PRO A 733 7.988 0.118 -12.359 1.00 0.00 C ATOM 0 HA PRO A 733 8.414 2.853 -10.860 1.00 0.00 H new ATOM 0 HB2 PRO A 733 6.114 0.935 -10.337 1.00 0.00 H new ATOM 0 HB3 PRO A 733 6.052 2.508 -11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 733 5.858 0.298 -12.583 1.00 0.00 H new ATOM 0 HG3 PRO A 733 6.758 1.676 -13.185 1.00 0.00 H new ATOM 0 HD2 PRO A 733 7.797 -0.910 -12.053 1.00 0.00 H new ATOM 0 HD3 PRO A 733 8.463 0.076 -13.339 1.00 0.00 H new ATOM 359 N TYR A 734 8.317 2.821 -8.431 1.00 0.00 N ATOM 360 CA TYR A 734 8.468 2.813 -6.981 1.00 0.00 C ATOM 361 C TYR A 734 7.157 2.438 -6.298 1.00 0.00 C ATOM 362 O TYR A 734 7.141 1.652 -5.352 1.00 0.00 O ATOM 363 CB TYR A 734 8.937 4.184 -6.489 1.00 0.00 C ATOM 364 CG TYR A 734 9.813 4.120 -5.259 1.00 0.00 C ATOM 365 CD1 TYR A 734 9.257 4.109 -3.986 1.00 0.00 C ATOM 366 CD2 TYR A 734 11.197 4.071 -5.369 1.00 0.00 C ATOM 367 CE1 TYR A 734 10.054 4.051 -2.858 1.00 0.00 C ATOM 368 CE2 TYR A 734 12.002 4.012 -4.247 1.00 0.00 C ATOM 369 CZ TYR A 734 11.425 4.002 -2.994 1.00 0.00 C ATOM 370 OH TYR A 734 12.222 3.943 -1.875 1.00 0.00 O ATOM 0 H TYR A 734 8.290 3.752 -8.848 1.00 0.00 H new ATOM 0 HA TYR A 734 9.218 2.065 -6.724 1.00 0.00 H new ATOM 0 HB2 TYR A 734 9.486 4.680 -7.290 1.00 0.00 H new ATOM 0 HB3 TYR A 734 8.065 4.800 -6.272 1.00 0.00 H new ATOM 0 HD1 TYR A 734 8.183 4.146 -3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 734 11.652 4.079 -6.348 1.00 0.00 H new ATOM 0 HE1 TYR A 734 9.605 4.044 -1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 734 13.076 3.974 -4.351 1.00 0.00 H new ATOM 0 HH TYR A 734 13.164 3.913 -2.145 1.00 0.00 H new ATOM 380 N LYS A 735 6.058 3.005 -6.786 1.00 0.00 N ATOM 381 CA LYS A 735 4.742 2.730 -6.223 1.00 0.00 C ATOM 382 C LYS A 735 3.752 2.349 -7.318 1.00 0.00 C ATOM 383 O LYS A 735 4.109 2.272 -8.493 1.00 0.00 O ATOM 384 CB LYS A 735 4.226 3.949 -5.456 1.00 0.00 C ATOM 385 CG LYS A 735 4.740 4.031 -4.028 1.00 0.00 C ATOM 386 CD LYS A 735 3.765 4.773 -3.128 1.00 0.00 C ATOM 387 CE LYS A 735 4.186 6.220 -2.925 1.00 0.00 C ATOM 388 NZ LYS A 735 4.969 6.401 -1.671 1.00 0.00 N ATOM 0 H LYS A 735 6.053 3.658 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 735 4.838 1.890 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 735 4.516 4.854 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 735 3.136 3.924 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 735 4.902 3.025 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 735 5.705 4.537 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 735 2.767 4.741 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.705 4.271 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 735 4.783 6.547 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 735 3.300 6.855 -2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 5.237 7.401 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 4.391 6.113 -0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.827 5.815 -1.710 1.00 0.00 H new ATOM 402 N HIS A 736 2.504 2.109 -6.924 1.00 0.00 N ATOM 403 CA HIS A 736 1.462 1.735 -7.873 1.00 0.00 C ATOM 404 C HIS A 736 0.697 2.964 -8.353 1.00 0.00 C ATOM 405 O HIS A 736 0.018 3.630 -7.572 1.00 0.00 O ATOM 406 CB HIS A 736 0.495 0.738 -7.233 1.00 0.00 C ATOM 407 CG HIS A 736 1.097 -0.615 -7.002 1.00 0.00 C ATOM 408 ND1 HIS A 736 1.874 -0.915 -5.901 1.00 0.00 N ATOM 409 CD2 HIS A 736 1.032 -1.750 -7.735 1.00 0.00 C ATOM 410 CE1 HIS A 736 2.260 -2.176 -5.969 1.00 0.00 C ATOM 411 NE2 HIS A 736 1.765 -2.704 -7.072 1.00 0.00 N ATOM 0 H HIS A 736 2.191 2.167 -5.955 1.00 0.00 H new ATOM 0 HA HIS A 736 1.940 1.267 -8.733 1.00 0.00 H new ATOM 0 HB2 HIS A 736 0.149 1.140 -6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 736 -0.381 0.633 -7.872 1.00 0.00 H new ATOM 0 HD2 HIS A 736 0.503 -1.882 -8.667 1.00 0.00 H new ATOM 0 HE1 HIS A 736 2.876 -2.688 -5.245 1.00 0.00 H new ATOM 0 HE2 HIS A 736 1.904 -3.666 -7.382 1.00 0.00 H new ATOM 420 N ARG A 737 0.813 3.259 -9.644 1.00 0.00 N ATOM 421 CA ARG A 737 0.131 4.408 -10.229 1.00 0.00 C ATOM 422 C ARG A 737 -1.035 3.961 -11.105 1.00 0.00 C ATOM 423 O ARG A 737 -2.185 4.326 -10.857 1.00 0.00 O ATOM 424 CB ARG A 737 1.113 5.243 -11.057 1.00 0.00 C ATOM 425 CG ARG A 737 2.156 5.961 -10.216 1.00 0.00 C ATOM 426 CD ARG A 737 1.690 7.353 -9.821 1.00 0.00 C ATOM 427 NE ARG A 737 1.093 7.374 -8.488 1.00 0.00 N ATOM 428 CZ ARG A 737 0.926 8.480 -7.768 1.00 0.00 C ATOM 429 NH1 ARG A 737 1.308 9.657 -8.246 1.00 0.00 N ATOM 430 NH2 ARG A 737 0.374 8.410 -6.563 1.00 0.00 N ATOM 0 H ARG A 737 1.372 2.719 -10.304 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.261 5.019 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 737 1.618 4.593 -11.771 1.00 0.00 H new ATOM 0 HB3 ARG A 737 0.554 5.979 -11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 737 2.366 5.378 -9.319 1.00 0.00 H new ATOM 0 HG3 ARG A 737 3.089 6.033 -10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 737 2.536 8.040 -9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 737 0.963 7.712 -10.549 1.00 0.00 H new ATOM 0 HE ARG A 737 0.786 6.488 -8.086 1.00 0.00 H new ATOM 0 HH11 ARG A 737 1.733 9.718 -9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 737 1.177 10.501 -7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 737 0.078 7.508 -6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 737 0.246 9.258 -6.011 1.00 0.00 H new ATOM 444 N ASP A 738 -0.732 3.170 -12.128 1.00 0.00 N ATOM 445 CA ASP A 738 -1.757 2.674 -13.039 1.00 0.00 C ATOM 446 C ASP A 738 -2.784 1.828 -12.294 1.00 0.00 C ATOM 447 O ASP A 738 -3.992 2.020 -12.448 1.00 0.00 O ATOM 448 CB ASP A 738 -1.118 1.851 -14.159 1.00 0.00 C ATOM 449 CG ASP A 738 0.061 2.560 -14.797 1.00 0.00 C ATOM 450 OD1 ASP A 738 1.114 2.674 -14.135 1.00 0.00 O ATOM 451 OD2 ASP A 738 -0.069 3.000 -15.958 1.00 0.00 O ATOM 0 H ASP A 738 0.214 2.859 -12.347 1.00 0.00 H new ATOM 0 HA ASP A 738 -2.267 3.533 -13.474 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -0.789 0.892 -13.759 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -1.867 1.638 -14.922 1.00 0.00 H new ATOM 456 N ASP A 739 -2.299 0.892 -11.486 1.00 0.00 N ATOM 457 CA ASP A 739 -3.174 0.016 -10.716 1.00 0.00 C ATOM 458 C ASP A 739 -4.058 0.823 -9.770 1.00 0.00 C ATOM 459 O ASP A 739 -5.180 0.425 -9.461 1.00 0.00 O ATOM 460 CB ASP A 739 -2.348 -0.996 -9.921 1.00 0.00 C ATOM 461 CG ASP A 739 -3.024 -2.350 -9.827 1.00 0.00 C ATOM 462 OD1 ASP A 739 -3.267 -2.967 -10.886 1.00 0.00 O ATOM 463 OD2 ASP A 739 -3.310 -2.793 -8.696 1.00 0.00 O ATOM 0 H ASP A 739 -1.303 0.720 -11.347 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.816 -0.519 -11.416 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -1.372 -1.113 -10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -2.174 -0.610 -8.917 1.00 0.00 H new ATOM 468 N ARG A 740 -3.542 1.961 -9.314 1.00 0.00 N ATOM 469 CA ARG A 740 -4.285 2.825 -8.403 1.00 0.00 C ATOM 470 C ARG A 740 -5.594 3.285 -9.034 1.00 0.00 C ATOM 471 O ARG A 740 -6.605 3.436 -8.349 1.00 0.00 O ATOM 472 CB ARG A 740 -3.438 4.037 -8.012 1.00 0.00 C ATOM 473 CG ARG A 740 -4.045 4.866 -6.891 1.00 0.00 C ATOM 474 CD ARG A 740 -3.312 4.653 -5.576 1.00 0.00 C ATOM 475 NE ARG A 740 -3.223 3.237 -5.224 1.00 0.00 N ATOM 476 CZ ARG A 740 -2.356 2.748 -4.341 1.00 0.00 C ATOM 477 NH1 ARG A 740 -1.505 3.553 -3.718 1.00 0.00 N ATOM 478 NH2 ARG A 740 -2.342 1.449 -4.078 1.00 0.00 N ATOM 0 H ARG A 740 -2.614 2.305 -9.560 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.519 2.250 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.449 3.696 -7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.299 4.671 -8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -4.012 5.922 -7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -5.095 4.601 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -2.309 5.073 -5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -3.827 5.193 -4.782 1.00 0.00 H new ATOM 0 HE ARG A 740 -3.862 2.587 -5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -1.513 4.554 -3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -0.843 3.171 -3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -2.995 0.826 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -1.678 1.073 -3.401 1.00 0.00 H new ATOM 492 N LEU A 741 -5.568 3.505 -10.345 1.00 0.00 N ATOM 493 CA LEU A 741 -6.755 3.949 -11.068 1.00 0.00 C ATOM 494 C LEU A 741 -7.886 2.939 -10.921 1.00 0.00 C ATOM 495 O LEU A 741 -9.042 3.312 -10.713 1.00 0.00 O ATOM 496 CB LEU A 741 -6.430 4.157 -12.548 1.00 0.00 C ATOM 497 CG LEU A 741 -5.309 5.160 -12.828 1.00 0.00 C ATOM 498 CD1 LEU A 741 -4.693 4.901 -14.195 1.00 0.00 C ATOM 499 CD2 LEU A 741 -5.836 6.584 -12.741 1.00 0.00 C ATOM 0 H LEU A 741 -4.740 3.383 -10.927 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.079 4.898 -10.639 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -6.155 3.196 -12.983 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.333 4.491 -13.059 1.00 0.00 H new ATOM 0 HG LEU A 741 -4.534 5.033 -12.072 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -3.897 5.623 -14.378 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -4.281 3.892 -14.223 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -5.459 5.002 -14.964 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -5.026 7.285 -12.943 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -6.629 6.724 -13.476 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -6.232 6.765 -11.742 1.00 0.00 H new ATOM 511 N LEU A 742 -7.549 1.657 -11.024 1.00 0.00 N ATOM 512 CA LEU A 742 -8.539 0.594 -10.896 1.00 0.00 C ATOM 513 C LEU A 742 -9.253 0.684 -9.553 1.00 0.00 C ATOM 514 O LEU A 742 -10.447 0.401 -9.453 1.00 0.00 O ATOM 515 CB LEU A 742 -7.871 -0.775 -11.044 1.00 0.00 C ATOM 516 CG LEU A 742 -7.757 -1.288 -12.480 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.853 -2.509 -12.539 1.00 0.00 C ATOM 518 CD2 LEU A 742 -9.134 -1.614 -13.039 1.00 0.00 C ATOM 0 H LEU A 742 -6.598 1.330 -11.196 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.276 0.715 -11.690 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.871 -0.723 -10.613 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.434 -1.502 -10.458 1.00 0.00 H new ATOM 0 HG LEU A 742 -7.314 -0.503 -13.093 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -6.783 -2.861 -13.568 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -5.859 -2.244 -12.178 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -7.267 -3.299 -11.913 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -9.035 -1.978 -14.062 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -9.604 -2.382 -12.425 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -9.752 -0.716 -13.032 1.00 0.00 H new ATOM 530 N GLN A 743 -8.515 1.085 -8.524 1.00 0.00 N ATOM 531 CA GLN A 743 -9.080 1.219 -7.188 1.00 0.00 C ATOM 532 C GLN A 743 -10.192 2.261 -7.175 1.00 0.00 C ATOM 533 O GLN A 743 -11.267 2.030 -6.622 1.00 0.00 O ATOM 534 CB GLN A 743 -7.989 1.606 -6.186 1.00 0.00 C ATOM 535 CG GLN A 743 -6.898 0.559 -6.040 1.00 0.00 C ATOM 536 CD GLN A 743 -7.445 -0.809 -5.686 1.00 0.00 C ATOM 537 OE1 GLN A 743 -7.881 -1.552 -6.697 1.00 0.00 O flip ATOM 538 NE2 GLN A 743 -7.477 -1.195 -4.518 1.00 0.00 N flip ATOM 0 H GLN A 743 -7.525 1.323 -8.590 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.502 0.257 -6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.538 2.548 -6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.447 1.780 -5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -6.337 0.492 -6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -6.196 0.876 -5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.131 -0.592 -3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -7.849 -2.118 -4.296 1.00 0.00 H new ATOM 547 N ALA A 744 -9.926 3.410 -7.790 1.00 0.00 N ATOM 548 CA ALA A 744 -10.906 4.486 -7.851 1.00 0.00 C ATOM 549 C ALA A 744 -12.066 4.120 -8.770 1.00 0.00 C ATOM 550 O ALA A 744 -13.231 4.278 -8.406 1.00 0.00 O ATOM 551 CB ALA A 744 -10.244 5.775 -8.316 1.00 0.00 C ATOM 0 H ALA A 744 -9.041 3.618 -8.252 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.307 4.638 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -10.987 6.571 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.455 6.051 -7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.815 5.627 -9.307 1.00 0.00 H new ATOM 557 N LEU A 745 -11.739 3.630 -9.962 1.00 0.00 N ATOM 558 CA LEU A 745 -12.756 3.240 -10.930 1.00 0.00 C ATOM 559 C LEU A 745 -13.650 2.145 -10.357 1.00 0.00 C ATOM 560 O LEU A 745 -14.876 2.228 -10.429 1.00 0.00 O ATOM 561 CB LEU A 745 -12.103 2.754 -12.228 1.00 0.00 C ATOM 562 CG LEU A 745 -11.059 3.701 -12.824 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.974 2.915 -13.551 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.719 4.695 -13.767 1.00 0.00 C ATOM 0 H LEU A 745 -10.779 3.494 -10.279 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.369 4.114 -11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.631 1.790 -12.040 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.885 2.587 -12.969 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.593 4.255 -12.009 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.241 3.606 -13.968 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.480 2.242 -12.850 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.423 2.334 -14.356 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -10.962 5.361 -14.182 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.212 4.157 -14.577 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.457 5.281 -13.219 1.00 0.00 H new ATOM 576 N MET A 746 -13.026 1.121 -9.785 1.00 0.00 N ATOM 577 CA MET A 746 -13.766 0.011 -9.195 1.00 0.00 C ATOM 578 C MET A 746 -14.510 0.461 -7.940 1.00 0.00 C ATOM 579 O MET A 746 -15.557 -0.089 -7.599 1.00 0.00 O ATOM 580 CB MET A 746 -12.818 -1.140 -8.854 1.00 0.00 C ATOM 581 CG MET A 746 -12.288 -1.872 -10.077 1.00 0.00 C ATOM 582 SD MET A 746 -12.116 -3.647 -9.802 1.00 0.00 S ATOM 583 CE MET A 746 -13.831 -4.132 -9.638 1.00 0.00 C ATOM 0 H MET A 746 -12.012 1.036 -9.717 1.00 0.00 H new ATOM 0 HA MET A 746 -14.496 -0.335 -9.926 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.977 -0.750 -8.281 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.338 -1.851 -8.212 1.00 0.00 H new ATOM 0 HG2 MET A 746 -12.961 -1.702 -10.918 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.320 -1.455 -10.354 1.00 0.00 H new ATOM 0 HE1 MET A 746 -13.942 -5.179 -9.922 1.00 0.00 H new ATOM 0 HE2 MET A 746 -14.149 -4.001 -8.604 1.00 0.00 H new ATOM 0 HE3 MET A 746 -14.448 -3.512 -10.289 1.00 0.00 H new ATOM 593 N ASP A 747 -13.964 1.464 -7.259 1.00 0.00 N ATOM 594 CA ASP A 747 -14.578 1.985 -6.044 1.00 0.00 C ATOM 595 C ASP A 747 -15.975 2.526 -6.331 1.00 0.00 C ATOM 596 O ASP A 747 -16.873 2.428 -5.496 1.00 0.00 O ATOM 597 CB ASP A 747 -13.706 3.086 -5.438 1.00 0.00 C ATOM 598 CG ASP A 747 -12.757 2.557 -4.379 1.00 0.00 C ATOM 599 OD1 ASP A 747 -12.489 1.337 -4.380 1.00 0.00 O ATOM 600 OD2 ASP A 747 -12.284 3.361 -3.550 1.00 0.00 O ATOM 0 H ASP A 747 -13.098 1.931 -7.528 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.664 1.166 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -13.131 3.567 -6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -14.346 3.851 -4.999 1.00 0.00 H new ATOM 605 N ILE A 748 -16.150 3.096 -7.519 1.00 0.00 N ATOM 606 CA ILE A 748 -17.437 3.652 -7.918 1.00 0.00 C ATOM 607 C ILE A 748 -18.510 2.569 -7.967 1.00 0.00 C ATOM 608 O ILE A 748 -19.584 2.718 -7.385 1.00 0.00 O ATOM 609 CB ILE A 748 -17.352 4.342 -9.295 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.189 5.337 -9.323 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.662 5.043 -9.621 1.00 0.00 C ATOM 612 CD1 ILE A 748 -16.263 6.383 -8.234 1.00 0.00 C ATOM 0 H ILE A 748 -15.416 3.185 -8.222 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.707 4.395 -7.167 1.00 0.00 H new ATOM 0 HB ILE A 748 -17.172 3.580 -10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -15.251 4.790 -9.227 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -16.170 5.834 -10.293 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.584 5.524 -10.596 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.471 4.312 -9.641 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.871 5.795 -8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -15.407 7.054 -8.315 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -17.184 6.956 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -16.251 5.895 -7.259 1.00 0.00 H new ATOM 624 N LEU A 749 -18.212 1.480 -8.668 1.00 0.00 N ATOM 625 CA LEU A 749 -19.150 0.372 -8.794 1.00 0.00 C ATOM 626 C LEU A 749 -19.459 -0.238 -7.431 1.00 0.00 C ATOM 627 O LEU A 749 -20.573 -0.703 -7.187 1.00 0.00 O ATOM 628 CB LEU A 749 -18.583 -0.700 -9.728 1.00 0.00 C ATOM 629 CG LEU A 749 -18.883 -0.489 -11.213 1.00 0.00 C ATOM 630 CD1 LEU A 749 -20.368 -0.667 -11.489 1.00 0.00 C ATOM 631 CD2 LEU A 749 -18.418 0.888 -11.660 1.00 0.00 C ATOM 0 H LEU A 749 -17.328 1.342 -9.157 1.00 0.00 H new ATOM 0 HA LEU A 749 -20.077 0.760 -9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -17.502 -0.742 -9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -18.980 -1.669 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 749 -18.336 -1.239 -11.784 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -20.562 -0.513 -12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -20.672 -1.675 -11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -20.936 0.059 -10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -18.639 1.021 -12.719 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -18.937 1.653 -11.082 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -17.344 0.979 -11.500 1.00 0.00 H new ATOM 643 N ASN A 750 -18.468 -0.231 -6.547 1.00 0.00 N ATOM 644 CA ASN A 750 -18.635 -0.783 -5.208 1.00 0.00 C ATOM 645 C ASN A 750 -19.737 -0.050 -4.449 1.00 0.00 C ATOM 646 O ASN A 750 -20.424 -0.636 -3.612 1.00 0.00 O ATOM 647 CB ASN A 750 -17.320 -0.695 -4.429 1.00 0.00 C ATOM 648 CG ASN A 750 -16.375 -1.832 -4.763 1.00 0.00 C ATOM 649 OD1 ASN A 750 -15.287 -1.613 -5.298 1.00 0.00 O ATOM 650 ND2 ASN A 750 -16.785 -3.056 -4.450 1.00 0.00 N ATOM 0 H ASN A 750 -17.541 0.151 -6.733 1.00 0.00 H new ATOM 0 HA ASN A 750 -18.922 -1.830 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.833 0.255 -4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.532 -0.705 -3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -16.191 -3.860 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -17.694 -3.192 -4.008 1.00 0.00 H new ATOM 657 N GLU A 751 -19.901 1.236 -4.749 1.00 0.00 N ATOM 658 CA GLU A 751 -20.919 2.048 -4.096 1.00 0.00 C ATOM 659 C GLU A 751 -22.313 1.481 -4.346 1.00 0.00 C ATOM 660 O GLU A 751 -23.056 1.195 -3.408 1.00 0.00 O ATOM 661 CB GLU A 751 -20.846 3.492 -4.595 1.00 0.00 C ATOM 662 CG GLU A 751 -19.457 4.100 -4.500 1.00 0.00 C ATOM 663 CD GLU A 751 -19.302 5.017 -3.302 1.00 0.00 C ATOM 664 OE1 GLU A 751 -20.063 6.003 -3.208 1.00 0.00 O ATOM 665 OE2 GLU A 751 -18.420 4.750 -2.460 1.00 0.00 O ATOM 0 H GLU A 751 -19.341 1.736 -5.440 1.00 0.00 H new ATOM 0 HA GLU A 751 -20.728 2.031 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -21.178 3.526 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -21.541 4.102 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -18.718 3.301 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -19.247 4.660 -5.411 1.00 0.00 H new ATOM 672 N GLU A 752 -22.660 1.321 -5.619 1.00 0.00 N ATOM 673 CA GLU A 752 -23.960 0.790 -5.996 1.00 0.00 C ATOM 674 C GLU A 752 -23.940 -0.736 -6.037 1.00 0.00 C ATOM 675 O GLU A 752 -24.317 -1.346 -7.036 1.00 0.00 O ATOM 676 CB GLU A 752 -24.385 1.347 -7.357 1.00 0.00 C ATOM 677 CG GLU A 752 -23.477 0.919 -8.498 1.00 0.00 C ATOM 678 CD GLU A 752 -23.462 1.922 -9.636 1.00 0.00 C ATOM 679 OE1 GLU A 752 -24.472 2.007 -10.366 1.00 0.00 O ATOM 680 OE2 GLU A 752 -22.438 2.621 -9.797 1.00 0.00 O ATOM 0 H GLU A 752 -22.055 1.553 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 752 -24.683 1.101 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -25.403 1.022 -7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -24.402 2.436 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -22.463 0.787 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -23.805 -0.049 -8.876 1.00 0.00 H new ATOM 687 N ASN A 753 -23.497 -1.345 -4.942 1.00 0.00 N ATOM 688 CA ASN A 753 -23.427 -2.800 -4.852 1.00 0.00 C ATOM 689 C ASN A 753 -23.572 -3.264 -3.407 1.00 0.00 C ATOM 690 O ASN A 753 -24.656 -3.772 -3.054 1.00 0.00 O ATOM 691 CB ASN A 753 -22.105 -3.304 -5.434 1.00 0.00 C ATOM 692 CG ASN A 753 -22.048 -4.817 -5.511 1.00 0.00 C ATOM 693 OD1 ASN A 753 -23.072 -5.482 -5.671 1.00 0.00 O ATOM 694 ND2 ASN A 753 -20.847 -5.371 -5.397 1.00 0.00 N ATOM 695 OXT ASN A 753 -22.596 -3.115 -2.640 1.00 0.00 O ATOM 0 H ASN A 753 -23.181 -0.855 -4.105 1.00 0.00 H new ATOM 0 HA ASN A 753 -24.252 -3.216 -5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -21.967 -2.887 -6.431 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -21.280 -2.943 -4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -20.747 -6.385 -5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -20.024 -4.783 -5.265 1.00 0.00 H new TER 702 ASN A 753