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 Single : A 711 SER OG : rot 26:sc= 0.656 USER MOD Single : A 712 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= -0.273 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 111:sc= 0.0789 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= -0.433 K(o=-0.43,f=-4.1!) USER MOD Single : A 731 THR OG1 : rot 180:sc= 0.00779 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 X(o=0,f=0) USER MOD Single : A 743 GLN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 746 MET CE :methyl 155:sc= -0.0216 (180deg=-0.644) USER MOD Single : A 750 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 753 ASN : amide:sc= -0.0905 K(o=-0.09,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 -2.470 45.056 -10.993 1.00 0.00 N ATOM 2 CA SER A 711 -1.217 45.722 -11.439 1.00 0.00 C ATOM 3 C SER A 711 -1.039 45.606 -12.949 1.00 0.00 C ATOM 4 O SER A 711 -0.595 44.574 -13.453 1.00 0.00 O ATOM 5 CB SER A 711 -0.036 45.074 -10.716 1.00 0.00 C ATOM 6 OG SER A 711 -0.424 44.582 -9.444 1.00 0.00 O ATOM 0 HA SER A 711 -1.269 46.783 -11.195 1.00 0.00 H new ATOM 0 HB2 SER A 711 0.360 44.258 -11.320 1.00 0.00 H new ATOM 0 HB3 SER A 711 0.766 45.802 -10.598 1.00 0.00 H new ATOM 0 HG SER A 711 -1.384 44.383 -9.449 1.00 0.00 H new ATOM 14 N LYS A 712 -1.387 46.669 -13.665 1.00 0.00 N ATOM 15 CA LYS A 712 -1.264 46.687 -15.118 1.00 0.00 C ATOM 16 C LYS A 712 0.194 46.544 -15.543 1.00 0.00 C ATOM 17 O LYS A 712 1.005 47.443 -15.324 1.00 0.00 O ATOM 18 CB LYS A 712 -1.849 47.982 -15.685 1.00 0.00 C ATOM 19 CG LYS A 712 -3.367 48.036 -15.639 1.00 0.00 C ATOM 20 CD LYS A 712 -3.883 49.441 -15.903 1.00 0.00 C ATOM 21 CE LYS A 712 -4.145 49.669 -17.383 1.00 0.00 C ATOM 22 NZ LYS A 712 -5.567 49.408 -17.741 1.00 0.00 N ATOM 0 H LYS A 712 -1.757 47.530 -13.263 1.00 0.00 H new ATOM 0 HA LYS A 712 -1.824 45.840 -15.515 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -1.447 48.827 -15.127 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -1.521 48.097 -16.718 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -3.779 47.351 -16.380 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -3.715 47.697 -14.663 1.00 0.00 H new ATOM 0 HD2 LYS A 712 -4.802 49.604 -15.340 1.00 0.00 H new ATOM 0 HD3 LYS A 712 -3.156 50.170 -15.544 1.00 0.00 H new ATOM 0 HE2 LYS A 712 -3.887 50.696 -17.644 1.00 0.00 H new ATOM 0 HE3 LYS A 712 -3.497 49.019 -17.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 -5.705 49.574 -18.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 -5.806 48.421 -17.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 -6.184 50.046 -17.199 1.00 0.00 H new ATOM 36 N LEU A 713 0.519 45.408 -16.152 1.00 0.00 N ATOM 37 CA LEU A 713 1.880 45.147 -16.608 1.00 0.00 C ATOM 38 C LEU A 713 2.119 45.761 -17.983 1.00 0.00 C ATOM 39 O LEU A 713 1.175 46.061 -18.714 1.00 0.00 O ATOM 40 CB LEU A 713 2.144 43.642 -16.655 1.00 0.00 C ATOM 41 CG LEU A 713 2.569 43.017 -15.325 1.00 0.00 C ATOM 42 CD1 LEU A 713 2.350 41.512 -15.348 1.00 0.00 C ATOM 43 CD2 LEU A 713 4.026 43.341 -15.027 1.00 0.00 C ATOM 0 H LEU A 713 -0.141 44.654 -16.341 1.00 0.00 H new ATOM 0 HA LEU A 713 2.569 45.607 -15.900 1.00 0.00 H new ATOM 0 HB2 LEU A 713 1.240 43.141 -17.002 1.00 0.00 H new ATOM 0 HB3 LEU A 713 2.921 43.448 -17.395 1.00 0.00 H new ATOM 0 HG LEU A 713 1.953 43.441 -14.532 1.00 0.00 H new ATOM 0 HD11 LEU A 713 2.658 41.085 -14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 713 1.294 41.301 -15.516 1.00 0.00 H new ATOM 0 HD13 LEU A 713 2.941 41.071 -16.151 1.00 0.00 H new ATOM 0 HD21 LEU A 713 4.312 42.889 -14.077 1.00 0.00 H new ATOM 0 HD22 LEU A 713 4.657 42.945 -15.823 1.00 0.00 H new ATOM 0 HD23 LEU A 713 4.154 44.422 -14.967 1.00 0.00 H new ATOM 55 N GLU A 714 3.389 45.946 -18.330 1.00 0.00 N ATOM 56 CA GLU A 714 3.752 46.524 -19.617 1.00 0.00 C ATOM 57 C GLU A 714 5.149 46.078 -20.039 1.00 0.00 C ATOM 58 O GLU A 714 5.930 45.594 -19.221 1.00 0.00 O ATOM 59 CB GLU A 714 3.692 48.052 -19.550 1.00 0.00 C ATOM 60 CG GLU A 714 3.201 48.699 -20.834 1.00 0.00 C ATOM 61 CD GLU A 714 1.756 48.355 -21.143 1.00 0.00 C ATOM 62 OE1 GLU A 714 0.856 49.022 -20.591 1.00 0.00 O ATOM 63 OE2 GLU A 714 1.525 47.420 -21.937 1.00 0.00 O ATOM 0 H GLU A 714 4.183 45.704 -17.737 1.00 0.00 H new ATOM 0 HA GLU A 714 3.036 46.171 -20.360 1.00 0.00 H new ATOM 0 HB2 GLU A 714 3.035 48.346 -18.731 1.00 0.00 H new ATOM 0 HB3 GLU A 714 4.685 48.436 -19.316 1.00 0.00 H new ATOM 0 HG2 GLU A 714 3.304 49.781 -20.754 1.00 0.00 H new ATOM 0 HG3 GLU A 714 3.832 48.379 -21.663 1.00 0.00 H new ATOM 70 N GLY A 715 5.455 46.242 -21.323 1.00 0.00 N ATOM 71 CA GLY A 715 6.758 45.851 -21.829 1.00 0.00 C ATOM 72 C GLY A 715 6.712 44.543 -22.597 1.00 0.00 C ATOM 73 O GLY A 715 6.649 44.538 -23.825 1.00 0.00 O ATOM 0 H GLY A 715 4.825 46.638 -22.021 1.00 0.00 H new ATOM 0 HA2 GLY A 715 7.143 46.637 -22.478 1.00 0.00 H new ATOM 0 HA3 GLY A 715 7.455 45.756 -20.996 1.00 0.00 H new ATOM 77 N SER A 716 6.742 43.433 -21.868 1.00 0.00 N ATOM 78 CA SER A 716 6.706 42.112 -22.486 1.00 0.00 C ATOM 79 C SER A 716 6.109 41.081 -21.533 1.00 0.00 C ATOM 80 O SER A 716 6.609 40.884 -20.426 1.00 0.00 O ATOM 81 CB SER A 716 8.111 41.683 -22.907 1.00 0.00 C ATOM 82 OG SER A 716 8.958 42.805 -23.077 1.00 0.00 O ATOM 0 H SER A 716 6.791 43.421 -20.849 1.00 0.00 H new ATOM 0 HA SER A 716 6.073 42.170 -23.371 1.00 0.00 H new ATOM 0 HB2 SER A 716 8.532 41.017 -22.154 1.00 0.00 H new ATOM 0 HB3 SER A 716 8.058 41.119 -23.838 1.00 0.00 H new ATOM 0 HG SER A 716 9.851 42.503 -23.345 1.00 0.00 H new ATOM 88 N GLU A 717 5.039 40.426 -21.972 1.00 0.00 N ATOM 89 CA GLU A 717 4.376 39.413 -21.157 1.00 0.00 C ATOM 90 C GLU A 717 4.096 38.156 -21.973 1.00 0.00 C ATOM 91 O GLU A 717 3.114 37.455 -21.735 1.00 0.00 O ATOM 92 CB GLU A 717 3.069 39.966 -20.586 1.00 0.00 C ATOM 93 CG GLU A 717 2.065 40.376 -21.650 1.00 0.00 C ATOM 94 CD GLU A 717 2.086 41.867 -21.927 1.00 0.00 C ATOM 95 OE1 GLU A 717 1.900 42.651 -20.973 1.00 0.00 O ATOM 96 OE2 GLU A 717 2.287 42.251 -23.098 1.00 0.00 O ATOM 0 H GLU A 717 4.613 40.578 -22.886 1.00 0.00 H new ATOM 0 HA GLU A 717 5.042 39.149 -20.335 1.00 0.00 H new ATOM 0 HB2 GLU A 717 2.616 39.212 -19.942 1.00 0.00 H new ATOM 0 HB3 GLU A 717 3.293 40.828 -19.958 1.00 0.00 H new ATOM 0 HG2 GLU A 717 2.278 39.836 -22.572 1.00 0.00 H new ATOM 0 HG3 GLU A 717 1.064 40.083 -21.332 1.00 0.00 H new ATOM 103 N ASP A 718 4.967 37.876 -22.937 1.00 0.00 N ATOM 104 CA ASP A 718 4.814 36.701 -23.790 1.00 0.00 C ATOM 105 C ASP A 718 5.836 35.626 -23.434 1.00 0.00 C ATOM 106 O ASP A 718 5.642 34.449 -23.735 1.00 0.00 O ATOM 107 CB ASP A 718 4.956 37.092 -25.262 1.00 0.00 C ATOM 108 CG ASP A 718 4.480 35.999 -26.198 1.00 0.00 C ATOM 109 OD1 ASP A 718 5.282 35.095 -26.513 1.00 0.00 O ATOM 110 OD2 ASP A 718 3.304 36.045 -26.616 1.00 0.00 O ATOM 0 H ASP A 718 5.786 38.446 -23.148 1.00 0.00 H new ATOM 0 HA ASP A 718 3.817 36.292 -23.624 1.00 0.00 H new ATOM 0 HB2 ASP A 718 4.386 38.002 -25.450 1.00 0.00 H new ATOM 0 HB3 ASP A 718 6.000 37.320 -25.475 1.00 0.00 H new ATOM 115 N SER A 719 6.924 36.038 -22.793 1.00 0.00 N ATOM 116 CA SER A 719 7.976 35.108 -22.398 1.00 0.00 C ATOM 117 C SER A 719 9.067 35.827 -21.610 1.00 0.00 C ATOM 118 O SER A 719 10.253 35.526 -21.755 1.00 0.00 O ATOM 119 CB SER A 719 8.581 34.434 -23.631 1.00 0.00 C ATOM 120 OG SER A 719 9.299 35.365 -24.421 1.00 0.00 O ATOM 0 H SER A 719 7.101 37.009 -22.536 1.00 0.00 H new ATOM 0 HA SER A 719 7.532 34.345 -21.758 1.00 0.00 H new ATOM 0 HB2 SER A 719 9.246 33.628 -23.319 1.00 0.00 H new ATOM 0 HB3 SER A 719 7.789 33.981 -24.227 1.00 0.00 H new ATOM 0 HG SER A 719 9.677 34.909 -25.202 1.00 0.00 H new ATOM 126 N LEU A 720 8.660 36.776 -20.774 1.00 0.00 N ATOM 127 CA LEU A 720 9.603 37.536 -19.963 1.00 0.00 C ATOM 128 C LEU A 720 9.713 36.947 -18.561 1.00 0.00 C ATOM 129 O LEU A 720 10.812 36.755 -18.042 1.00 0.00 O ATOM 130 CB LEU A 720 9.172 39.001 -19.881 1.00 0.00 C ATOM 131 CG LEU A 720 10.317 40.007 -19.750 1.00 0.00 C ATOM 132 CD1 LEU A 720 11.188 39.671 -18.551 1.00 0.00 C ATOM 133 CD2 LEU A 720 11.147 40.036 -21.024 1.00 0.00 C ATOM 0 H LEU A 720 7.683 37.037 -20.640 1.00 0.00 H new ATOM 0 HA LEU A 720 10.582 37.479 -20.439 1.00 0.00 H new ATOM 0 HB2 LEU A 720 8.595 39.245 -20.773 1.00 0.00 H new ATOM 0 HB3 LEU A 720 8.505 39.120 -19.028 1.00 0.00 H new ATOM 0 HG LEU A 720 9.890 40.998 -19.595 1.00 0.00 H new ATOM 0 HD11 LEU A 720 11.997 40.397 -18.474 1.00 0.00 H new ATOM 0 HD12 LEU A 720 10.585 39.702 -17.643 1.00 0.00 H new ATOM 0 HD13 LEU A 720 11.607 38.673 -18.674 1.00 0.00 H new ATOM 0 HD21 LEU A 720 11.957 40.757 -20.914 1.00 0.00 H new ATOM 0 HD22 LEU A 720 11.564 39.046 -21.209 1.00 0.00 H new ATOM 0 HD23 LEU A 720 10.515 40.326 -21.863 1.00 0.00 H new ATOM 145 N TYR A 721 8.567 36.663 -17.952 1.00 0.00 N ATOM 146 CA TYR A 721 8.535 36.096 -16.608 1.00 0.00 C ATOM 147 C TYR A 721 8.333 34.584 -16.660 1.00 0.00 C ATOM 148 O TYR A 721 7.756 33.994 -15.747 1.00 0.00 O ATOM 149 CB TYR A 721 7.419 36.742 -15.786 1.00 0.00 C ATOM 150 CG TYR A 721 7.837 38.021 -15.096 1.00 0.00 C ATOM 151 CD1 TYR A 721 7.781 39.241 -15.757 1.00 0.00 C ATOM 152 CD2 TYR A 721 8.289 38.008 -13.782 1.00 0.00 C ATOM 153 CE1 TYR A 721 8.163 40.411 -15.130 1.00 0.00 C ATOM 154 CE2 TYR A 721 8.673 39.173 -13.147 1.00 0.00 C ATOM 155 CZ TYR A 721 8.608 40.372 -13.825 1.00 0.00 C ATOM 156 OH TYR A 721 8.989 41.535 -13.197 1.00 0.00 O ATOM 0 H TYR A 721 7.648 36.816 -18.367 1.00 0.00 H new ATOM 0 HA TYR A 721 9.494 36.301 -16.131 1.00 0.00 H new ATOM 0 HB2 TYR A 721 6.573 36.952 -16.440 1.00 0.00 H new ATOM 0 HB3 TYR A 721 7.074 36.031 -15.036 1.00 0.00 H new ATOM 0 HD1 TYR A 721 7.433 39.276 -16.779 1.00 0.00 H new ATOM 0 HD2 TYR A 721 8.341 37.071 -13.248 1.00 0.00 H new ATOM 0 HE1 TYR A 721 8.114 41.351 -15.659 1.00 0.00 H new ATOM 0 HE2 TYR A 721 9.022 39.145 -12.125 1.00 0.00 H new ATOM 0 HH TYR A 721 9.275 41.334 -12.282 1.00 0.00 H new ATOM 166 N SER A 722 8.815 33.963 -17.733 1.00 0.00 N ATOM 167 CA SER A 722 8.688 32.520 -17.902 1.00 0.00 C ATOM 168 C SER A 722 9.311 31.772 -16.726 1.00 0.00 C ATOM 169 O SER A 722 8.910 30.654 -16.409 1.00 0.00 O ATOM 170 CB SER A 722 9.349 32.079 -19.210 1.00 0.00 C ATOM 171 OG SER A 722 10.695 32.524 -19.276 1.00 0.00 O ATOM 0 H SER A 722 9.297 34.437 -18.497 1.00 0.00 H new ATOM 0 HA SER A 722 7.626 32.278 -17.938 1.00 0.00 H new ATOM 0 HB2 SER A 722 9.317 30.992 -19.289 1.00 0.00 H new ATOM 0 HB3 SER A 722 8.789 32.477 -20.056 1.00 0.00 H new ATOM 0 HG SER A 722 11.096 32.228 -20.120 1.00 0.00 H new ATOM 177 N ASP A 723 10.292 32.397 -16.082 1.00 0.00 N ATOM 178 CA ASP A 723 10.965 31.786 -14.941 1.00 0.00 C ATOM 179 C ASP A 723 9.982 31.556 -13.796 1.00 0.00 C ATOM 180 O ASP A 723 9.821 30.435 -13.319 1.00 0.00 O ATOM 181 CB ASP A 723 12.120 32.670 -14.469 1.00 0.00 C ATOM 182 CG ASP A 723 13.305 31.861 -13.978 1.00 0.00 C ATOM 183 OD1 ASP A 723 13.083 30.792 -13.371 1.00 0.00 O ATOM 184 OD2 ASP A 723 14.454 32.296 -14.203 1.00 0.00 O ATOM 0 H ASP A 723 10.638 33.324 -16.330 1.00 0.00 H new ATOM 0 HA ASP A 723 11.364 30.822 -15.256 1.00 0.00 H new ATOM 0 HB2 ASP A 723 12.438 33.315 -15.288 1.00 0.00 H new ATOM 0 HB3 ASP A 723 11.771 33.321 -13.668 1.00 0.00 H new ATOM 189 N TYR A 724 9.328 32.630 -13.364 1.00 0.00 N ATOM 190 CA TYR A 724 8.361 32.552 -12.280 1.00 0.00 C ATOM 191 C TYR A 724 7.123 31.769 -12.714 1.00 0.00 C ATOM 192 O TYR A 724 6.479 31.105 -11.901 1.00 0.00 O ATOM 193 CB TYR A 724 7.969 33.966 -11.826 1.00 0.00 C ATOM 194 CG TYR A 724 6.582 34.060 -11.229 1.00 0.00 C ATOM 195 CD1 TYR A 724 5.464 34.168 -12.046 1.00 0.00 C ATOM 196 CD2 TYR A 724 6.393 34.036 -9.855 1.00 0.00 C ATOM 197 CE1 TYR A 724 4.195 34.249 -11.509 1.00 0.00 C ATOM 198 CE2 TYR A 724 5.127 34.118 -9.309 1.00 0.00 C ATOM 199 CZ TYR A 724 4.030 34.225 -10.140 1.00 0.00 C ATOM 200 OH TYR A 724 2.768 34.305 -9.600 1.00 0.00 O ATOM 0 H TYR A 724 9.452 33.566 -13.751 1.00 0.00 H new ATOM 0 HA TYR A 724 8.818 32.025 -11.443 1.00 0.00 H new ATOM 0 HB2 TYR A 724 8.694 34.314 -11.090 1.00 0.00 H new ATOM 0 HB3 TYR A 724 8.032 34.641 -12.680 1.00 0.00 H new ATOM 0 HD1 TYR A 724 5.590 34.189 -13.118 1.00 0.00 H new ATOM 0 HD2 TYR A 724 7.249 33.952 -9.202 1.00 0.00 H new ATOM 0 HE1 TYR A 724 3.335 34.331 -12.158 1.00 0.00 H new ATOM 0 HE2 TYR A 724 4.996 34.098 -8.237 1.00 0.00 H new ATOM 0 HH TYR A 724 2.530 33.445 -9.196 1.00 0.00 H new ATOM 210 N VAL A 725 6.796 31.855 -13.999 1.00 0.00 N ATOM 211 CA VAL A 725 5.636 31.161 -14.542 1.00 0.00 C ATOM 212 C VAL A 725 5.922 29.673 -14.727 1.00 0.00 C ATOM 213 O VAL A 725 5.035 28.836 -14.566 1.00 0.00 O ATOM 214 CB VAL A 725 5.205 31.779 -15.890 1.00 0.00 C ATOM 215 CG1 VAL A 725 4.123 30.939 -16.559 1.00 0.00 C ATOM 216 CG2 VAL A 725 4.729 33.210 -15.686 1.00 0.00 C ATOM 0 H VAL A 725 7.320 32.400 -14.684 1.00 0.00 H new ATOM 0 HA VAL A 725 4.823 31.274 -13.825 1.00 0.00 H new ATOM 0 HB VAL A 725 6.071 31.792 -16.552 1.00 0.00 H new ATOM 0 HG11 VAL A 725 3.839 31.398 -17.506 1.00 0.00 H new ATOM 0 HG12 VAL A 725 4.504 29.934 -16.743 1.00 0.00 H new ATOM 0 HG13 VAL A 725 3.251 30.883 -15.907 1.00 0.00 H new ATOM 0 HG21 VAL A 725 4.428 33.634 -16.644 1.00 0.00 H new ATOM 0 HG22 VAL A 725 3.879 33.217 -15.003 1.00 0.00 H new ATOM 0 HG23 VAL A 725 5.538 33.806 -15.264 1.00 0.00 H new ATOM 226 N ASP A 726 7.167 29.349 -15.062 1.00 0.00 N ATOM 227 CA ASP A 726 7.565 27.961 -15.265 1.00 0.00 C ATOM 228 C ASP A 726 7.485 27.176 -13.960 1.00 0.00 C ATOM 229 O ASP A 726 7.277 25.962 -13.966 1.00 0.00 O ATOM 230 CB ASP A 726 8.986 27.894 -15.829 1.00 0.00 C ATOM 231 CG ASP A 726 9.431 26.472 -16.113 1.00 0.00 C ATOM 232 OD1 ASP A 726 8.766 25.792 -16.923 1.00 0.00 O ATOM 233 OD2 ASP A 726 10.443 26.037 -15.522 1.00 0.00 O ATOM 0 H ASP A 726 7.916 30.028 -15.198 1.00 0.00 H new ATOM 0 HA ASP A 726 6.876 27.512 -15.980 1.00 0.00 H new ATOM 0 HB2 ASP A 726 9.037 28.478 -16.748 1.00 0.00 H new ATOM 0 HB3 ASP A 726 9.676 28.353 -15.121 1.00 0.00 H new ATOM 238 N VAL A 727 7.650 27.875 -12.841 1.00 0.00 N ATOM 239 CA VAL A 727 7.595 27.243 -11.529 1.00 0.00 C ATOM 240 C VAL A 727 6.217 26.649 -11.263 1.00 0.00 C ATOM 241 O VAL A 727 6.085 25.649 -10.557 1.00 0.00 O ATOM 242 CB VAL A 727 7.936 28.243 -10.408 1.00 0.00 C ATOM 243 CG1 VAL A 727 8.026 27.533 -9.065 1.00 0.00 C ATOM 244 CG2 VAL A 727 9.233 28.976 -10.720 1.00 0.00 C ATOM 0 H VAL A 727 7.823 28.880 -12.818 1.00 0.00 H new ATOM 0 HA VAL A 727 8.338 26.445 -11.531 1.00 0.00 H new ATOM 0 HB VAL A 727 7.135 28.980 -10.350 1.00 0.00 H new ATOM 0 HG11 VAL A 727 8.268 28.257 -8.286 1.00 0.00 H new ATOM 0 HG12 VAL A 727 7.070 27.061 -8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 727 8.805 26.772 -9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 727 9.457 29.678 -9.916 1.00 0.00 H new ATOM 0 HG22 VAL A 727 10.046 28.255 -10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 727 9.127 29.521 -11.658 1.00 0.00 H new ATOM 254 N PHE A 728 5.189 27.270 -11.835 1.00 0.00 N ATOM 255 CA PHE A 728 3.819 26.801 -11.661 1.00 0.00 C ATOM 256 C PHE A 728 3.468 25.747 -12.705 1.00 0.00 C ATOM 257 O PHE A 728 2.672 24.843 -12.445 1.00 0.00 O ATOM 258 CB PHE A 728 2.843 27.974 -11.753 1.00 0.00 C ATOM 259 CG PHE A 728 3.133 29.077 -10.775 1.00 0.00 C ATOM 260 CD1 PHE A 728 3.996 30.107 -11.111 1.00 0.00 C ATOM 261 CD2 PHE A 728 2.543 29.082 -9.521 1.00 0.00 C ATOM 262 CE1 PHE A 728 4.265 31.123 -10.212 1.00 0.00 C ATOM 263 CE2 PHE A 728 2.809 30.096 -8.619 1.00 0.00 C ATOM 264 CZ PHE A 728 3.672 31.117 -8.966 1.00 0.00 C ATOM 0 H PHE A 728 5.279 28.099 -12.423 1.00 0.00 H new ATOM 0 HA PHE A 728 3.738 26.347 -10.673 1.00 0.00 H new ATOM 0 HB2 PHE A 728 2.871 28.380 -12.764 1.00 0.00 H new ATOM 0 HB3 PHE A 728 1.831 27.607 -11.584 1.00 0.00 H new ATOM 0 HD1 PHE A 728 4.463 30.117 -12.085 1.00 0.00 H new ATOM 0 HD2 PHE A 728 1.868 28.285 -9.245 1.00 0.00 H new ATOM 0 HE1 PHE A 728 4.939 31.921 -10.485 1.00 0.00 H new ATOM 0 HE2 PHE A 728 2.343 30.090 -7.645 1.00 0.00 H new ATOM 0 HZ PHE A 728 3.882 31.910 -8.263 1.00 0.00 H new ATOM 274 N TYR A 729 4.063 25.869 -13.886 1.00 0.00 N ATOM 275 CA TYR A 729 3.812 24.926 -14.970 1.00 0.00 C ATOM 276 C TYR A 729 4.920 23.880 -15.049 1.00 0.00 C ATOM 277 O TYR A 729 5.228 23.369 -16.126 1.00 0.00 O ATOM 278 CB TYR A 729 3.698 25.668 -16.303 1.00 0.00 C ATOM 279 CG TYR A 729 3.081 24.838 -17.406 1.00 0.00 C ATOM 280 CD1 TYR A 729 1.857 24.207 -17.226 1.00 0.00 C ATOM 281 CD2 TYR A 729 3.722 24.687 -18.630 1.00 0.00 C ATOM 282 CE1 TYR A 729 1.289 23.448 -18.232 1.00 0.00 C ATOM 283 CE2 TYR A 729 3.161 23.932 -19.642 1.00 0.00 C ATOM 284 CZ TYR A 729 1.945 23.314 -19.437 1.00 0.00 C ATOM 285 OH TYR A 729 1.383 22.560 -20.441 1.00 0.00 O ATOM 0 H TYR A 729 4.723 26.612 -14.118 1.00 0.00 H new ATOM 0 HA TYR A 729 2.871 24.416 -14.764 1.00 0.00 H new ATOM 0 HB2 TYR A 729 3.100 26.568 -16.159 1.00 0.00 H new ATOM 0 HB3 TYR A 729 4.691 25.992 -16.615 1.00 0.00 H new ATOM 0 HD1 TYR A 729 1.340 24.311 -16.284 1.00 0.00 H new ATOM 0 HD2 TYR A 729 4.675 25.168 -18.793 1.00 0.00 H new ATOM 0 HE1 TYR A 729 0.337 22.963 -18.075 1.00 0.00 H new ATOM 0 HE2 TYR A 729 3.671 23.826 -20.588 1.00 0.00 H new ATOM 0 HH TYR A 729 1.971 22.568 -21.225 1.00 0.00 H new ATOM 295 N ASN A 730 5.516 23.568 -13.903 1.00 0.00 N ATOM 296 CA ASN A 730 6.590 22.583 -13.844 1.00 0.00 C ATOM 297 C ASN A 730 6.094 21.209 -14.287 1.00 0.00 C ATOM 298 O ASN A 730 4.950 21.060 -14.715 1.00 0.00 O ATOM 299 CB ASN A 730 7.158 22.501 -12.426 1.00 0.00 C ATOM 300 CG ASN A 730 6.118 22.063 -11.413 1.00 0.00 C ATOM 301 OD1 ASN A 730 4.991 22.556 -11.410 1.00 0.00 O ATOM 302 ND2 ASN A 730 6.496 21.132 -10.544 1.00 0.00 N ATOM 0 H ASN A 730 5.274 23.983 -13.003 1.00 0.00 H new ATOM 0 HA ASN A 730 7.379 22.901 -14.526 1.00 0.00 H new ATOM 0 HB2 ASN A 730 7.993 21.801 -12.412 1.00 0.00 H new ATOM 0 HB3 ASN A 730 7.554 23.475 -12.139 1.00 0.00 H new ATOM 0 HD21 ASN A 730 5.841 20.798 -9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 730 7.441 20.751 -10.584 1.00 0.00 H new ATOM 309 N THR A 731 6.964 20.210 -14.180 1.00 0.00 N ATOM 310 CA THR A 731 6.615 18.848 -14.569 1.00 0.00 C ATOM 311 C THR A 731 6.409 17.969 -13.341 1.00 0.00 C ATOM 312 O THR A 731 7.349 17.350 -12.843 1.00 0.00 O ATOM 313 CB THR A 731 7.707 18.255 -15.459 1.00 0.00 C ATOM 314 OG1 THR A 731 8.989 18.669 -15.024 1.00 0.00 O ATOM 315 CG2 THR A 731 7.569 18.642 -16.915 1.00 0.00 C ATOM 0 H THR A 731 7.915 20.318 -13.827 1.00 0.00 H new ATOM 0 HA THR A 731 5.680 18.883 -15.129 1.00 0.00 H new ATOM 0 HB THR A 731 7.592 17.174 -15.375 1.00 0.00 H new ATOM 0 HG1 THR A 731 9.674 18.278 -15.605 1.00 0.00 H new ATOM 0 HG21 THR A 731 8.376 18.188 -17.490 1.00 0.00 H new ATOM 0 HG22 THR A 731 6.610 18.291 -17.295 1.00 0.00 H new ATOM 0 HG23 THR A 731 7.622 19.727 -17.010 1.00 0.00 H new ATOM 323 N LYS A 732 5.172 17.918 -12.856 1.00 0.00 N ATOM 324 CA LYS A 732 4.841 17.114 -11.685 1.00 0.00 C ATOM 325 C LYS A 732 5.186 15.642 -11.917 1.00 0.00 C ATOM 326 O LYS A 732 4.532 14.964 -12.709 1.00 0.00 O ATOM 327 CB LYS A 732 3.354 17.252 -11.352 1.00 0.00 C ATOM 328 CG LYS A 732 3.046 18.394 -10.400 1.00 0.00 C ATOM 329 CD LYS A 732 3.350 18.018 -8.960 1.00 0.00 C ATOM 330 CE LYS A 732 3.946 19.186 -8.191 1.00 0.00 C ATOM 331 NZ LYS A 732 5.002 18.744 -7.239 1.00 0.00 N ATOM 0 H LYS A 732 4.382 18.424 -13.256 1.00 0.00 H new ATOM 0 HA LYS A 732 5.433 17.480 -10.846 1.00 0.00 H new ATOM 0 HB2 LYS A 732 2.796 17.401 -12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 732 3.001 16.319 -10.913 1.00 0.00 H new ATOM 0 HG2 LYS A 732 3.632 19.270 -10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 732 1.996 18.671 -10.491 1.00 0.00 H new ATOM 0 HD2 LYS A 732 2.435 17.687 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 732 4.044 17.177 -8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 732 4.368 19.905 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 732 3.156 19.701 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 5.383 19.570 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 4.594 18.077 -6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 5.768 18.275 -7.763 1.00 0.00 H new ATOM 345 N PRO A 733 6.222 15.126 -11.228 1.00 0.00 N ATOM 346 CA PRO A 733 6.642 13.727 -11.373 1.00 0.00 C ATOM 347 C PRO A 733 5.490 12.751 -11.164 1.00 0.00 C ATOM 348 O PRO A 733 5.497 11.643 -11.701 1.00 0.00 O ATOM 349 CB PRO A 733 7.693 13.555 -10.272 1.00 0.00 C ATOM 350 CG PRO A 733 8.218 14.927 -10.030 1.00 0.00 C ATOM 351 CD PRO A 733 7.060 15.858 -10.260 1.00 0.00 C ATOM 0 HA PRO A 733 7.015 13.517 -12.375 1.00 0.00 H new ATOM 0 HB2 PRO A 733 7.253 13.134 -9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 733 8.487 12.877 -10.585 1.00 0.00 H new ATOM 0 HG2 PRO A 733 8.602 15.025 -9.015 1.00 0.00 H new ATOM 0 HG3 PRO A 733 9.042 15.155 -10.706 1.00 0.00 H new ATOM 0 HD2 PRO A 733 6.520 16.064 -9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 733 7.389 16.818 -10.658 1.00 0.00 H new ATOM 359 N TYR A 734 4.499 13.169 -10.383 1.00 0.00 N ATOM 360 CA TYR A 734 3.338 12.332 -10.104 1.00 0.00 C ATOM 361 C TYR A 734 2.612 11.961 -11.392 1.00 0.00 C ATOM 362 O TYR A 734 1.826 12.745 -11.922 1.00 0.00 O ATOM 363 CB TYR A 734 2.380 13.050 -9.153 1.00 0.00 C ATOM 364 CG TYR A 734 2.769 12.934 -7.697 1.00 0.00 C ATOM 365 CD1 TYR A 734 3.915 13.552 -7.213 1.00 0.00 C ATOM 366 CD2 TYR A 734 1.991 12.204 -6.805 1.00 0.00 C ATOM 367 CE1 TYR A 734 4.274 13.447 -5.883 1.00 0.00 C ATOM 368 CE2 TYR A 734 2.344 12.096 -5.474 1.00 0.00 C ATOM 369 CZ TYR A 734 3.486 12.719 -5.018 1.00 0.00 C ATOM 370 OH TYR A 734 3.840 12.612 -3.692 1.00 0.00 O ATOM 0 H TYR A 734 4.477 14.083 -9.932 1.00 0.00 H new ATOM 0 HA TYR A 734 3.689 11.416 -9.630 1.00 0.00 H new ATOM 0 HB2 TYR A 734 2.335 14.105 -9.425 1.00 0.00 H new ATOM 0 HB3 TYR A 734 1.378 12.643 -9.286 1.00 0.00 H new ATOM 0 HD1 TYR A 734 4.535 14.124 -7.887 1.00 0.00 H new ATOM 0 HD2 TYR A 734 1.096 11.714 -7.159 1.00 0.00 H new ATOM 0 HE1 TYR A 734 5.168 13.933 -5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 734 1.728 11.526 -4.794 1.00 0.00 H new ATOM 0 HH TYR A 734 3.178 12.066 -3.220 1.00 0.00 H new ATOM 380 N LYS A 735 2.880 10.759 -11.892 1.00 0.00 N ATOM 381 CA LYS A 735 2.251 10.282 -13.119 1.00 0.00 C ATOM 382 C LYS A 735 0.958 9.535 -12.813 1.00 0.00 C ATOM 383 O LYS A 735 0.540 9.443 -11.659 1.00 0.00 O ATOM 384 CB LYS A 735 3.211 9.373 -13.888 1.00 0.00 C ATOM 385 CG LYS A 735 4.481 10.073 -14.342 1.00 0.00 C ATOM 386 CD LYS A 735 4.375 10.541 -15.784 1.00 0.00 C ATOM 387 CE LYS A 735 5.739 10.591 -16.456 1.00 0.00 C ATOM 388 NZ LYS A 735 5.670 10.177 -17.884 1.00 0.00 N ATOM 0 H LYS A 735 3.529 10.097 -11.466 1.00 0.00 H new ATOM 0 HA LYS A 735 2.010 11.148 -13.735 1.00 0.00 H new ATOM 0 HB2 LYS A 735 3.479 8.526 -13.257 1.00 0.00 H new ATOM 0 HB3 LYS A 735 2.696 8.971 -14.761 1.00 0.00 H new ATOM 0 HG2 LYS A 735 4.678 10.928 -13.695 1.00 0.00 H new ATOM 0 HG3 LYS A 735 5.328 9.394 -14.240 1.00 0.00 H new ATOM 0 HD2 LYS A 735 3.720 9.869 -16.338 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.917 11.530 -15.814 1.00 0.00 H new ATOM 0 HE2 LYS A 735 6.139 11.603 -16.390 1.00 0.00 H new ATOM 0 HE3 LYS A 735 6.431 9.939 -15.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 6.620 10.225 -18.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 5.312 9.202 -17.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.030 10.814 -18.400 1.00 0.00 H new ATOM 402 N HIS A 736 0.327 9.002 -13.855 1.00 0.00 N ATOM 403 CA HIS A 736 -0.919 8.261 -13.696 1.00 0.00 C ATOM 404 C HIS A 736 -0.660 6.759 -13.669 1.00 0.00 C ATOM 405 O HIS A 736 -0.132 6.192 -14.627 1.00 0.00 O ATOM 406 CB HIS A 736 -1.887 8.604 -14.830 1.00 0.00 C ATOM 407 CG HIS A 736 -2.791 9.755 -14.519 1.00 0.00 C ATOM 408 ND1 HIS A 736 -4.044 9.601 -13.964 1.00 0.00 N ATOM 409 CD2 HIS A 736 -2.618 11.088 -14.686 1.00 0.00 C ATOM 410 CE1 HIS A 736 -4.603 10.787 -13.806 1.00 0.00 C ATOM 411 NE2 HIS A 736 -3.759 11.706 -14.235 1.00 0.00 N ATOM 0 H HIS A 736 0.658 9.070 -14.817 1.00 0.00 H new ATOM 0 HA HIS A 736 -1.366 8.550 -12.745 1.00 0.00 H new ATOM 0 HB2 HIS A 736 -1.314 8.835 -15.728 1.00 0.00 H new ATOM 0 HB3 HIS A 736 -2.494 7.727 -15.056 1.00 0.00 H new ATOM 0 HD2 HIS A 736 -1.746 11.574 -15.097 1.00 0.00 H new ATOM 0 HE1 HIS A 736 -5.584 10.973 -13.395 1.00 0.00 H new ATOM 0 HE2 HIS A 736 -3.927 12.712 -14.232 1.00 0.00 H new ATOM 420 N ARG A 737 -1.035 6.119 -12.566 1.00 0.00 N ATOM 421 CA ARG A 737 -0.844 4.681 -12.414 1.00 0.00 C ATOM 422 C ARG A 737 -2.141 3.929 -12.688 1.00 0.00 C ATOM 423 O ARG A 737 -3.226 4.388 -12.327 1.00 0.00 O ATOM 424 CB ARG A 737 -0.341 4.358 -11.005 1.00 0.00 C ATOM 425 CG ARG A 737 0.616 3.179 -10.957 1.00 0.00 C ATOM 426 CD ARG A 737 1.689 3.374 -9.899 1.00 0.00 C ATOM 427 NE ARG A 737 2.928 3.902 -10.467 1.00 0.00 N ATOM 428 CZ ARG A 737 4.052 4.067 -9.773 1.00 0.00 C ATOM 429 NH1 ARG A 737 4.096 3.749 -8.484 1.00 0.00 N ATOM 430 NH2 ARG A 737 5.133 4.551 -10.367 1.00 0.00 N ATOM 0 H ARG A 737 -1.473 6.573 -11.765 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.098 4.360 -13.141 1.00 0.00 H new ATOM 0 HB2 ARG A 737 0.157 5.237 -10.596 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -1.196 4.148 -10.362 1.00 0.00 H new ATOM 0 HG2 ARG A 737 0.059 2.266 -10.748 1.00 0.00 H new ATOM 0 HG3 ARG A 737 1.085 3.050 -11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 737 1.322 4.056 -9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 737 1.892 2.422 -9.408 1.00 0.00 H new ATOM 0 HE ARG A 737 2.932 4.159 -11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 737 3.266 3.377 -8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 737 4.959 3.877 -7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 737 5.104 4.797 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 737 5.994 4.677 -9.835 1.00 0.00 H new ATOM 444 N ASP A 738 -2.022 2.770 -13.328 1.00 0.00 N ATOM 445 CA ASP A 738 -3.188 1.953 -13.651 1.00 0.00 C ATOM 446 C ASP A 738 -3.716 1.242 -12.410 1.00 0.00 C ATOM 447 O ASP A 738 -4.924 1.193 -12.177 1.00 0.00 O ATOM 448 CB ASP A 738 -2.834 0.927 -14.729 1.00 0.00 C ATOM 449 CG ASP A 738 -4.052 0.449 -15.494 1.00 0.00 C ATOM 450 OD1 ASP A 738 -4.596 1.236 -16.296 1.00 0.00 O ATOM 451 OD2 ASP A 738 -4.462 -0.714 -15.292 1.00 0.00 O ATOM 0 H ASP A 738 -1.132 2.375 -13.633 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.969 2.613 -14.029 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -2.121 1.367 -15.426 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -2.341 0.072 -14.266 1.00 0.00 H new ATOM 456 N ASP A 739 -2.804 0.694 -11.614 1.00 0.00 N ATOM 457 CA ASP A 739 -3.179 -0.014 -10.395 1.00 0.00 C ATOM 458 C ASP A 739 -3.976 0.892 -9.462 1.00 0.00 C ATOM 459 O ASP A 739 -5.060 0.530 -9.007 1.00 0.00 O ATOM 460 CB ASP A 739 -1.931 -0.534 -9.677 1.00 0.00 C ATOM 461 CG ASP A 739 -2.258 -1.597 -8.645 1.00 0.00 C ATOM 462 OD1 ASP A 739 -3.072 -2.492 -8.954 1.00 0.00 O ATOM 463 OD2 ASP A 739 -1.698 -1.532 -7.529 1.00 0.00 O ATOM 0 H ASP A 739 -1.800 0.726 -11.791 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.807 -0.859 -10.675 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -1.238 -0.945 -10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -1.423 0.298 -9.189 1.00 0.00 H new ATOM 468 N ARG A 740 -3.433 2.072 -9.184 1.00 0.00 N ATOM 469 CA ARG A 740 -4.099 3.029 -8.308 1.00 0.00 C ATOM 470 C ARG A 740 -5.427 3.474 -8.907 1.00 0.00 C ATOM 471 O ARG A 740 -6.417 3.639 -8.195 1.00 0.00 O ATOM 472 CB ARG A 740 -3.200 4.243 -8.065 1.00 0.00 C ATOM 473 CG ARG A 740 -2.245 4.069 -6.895 1.00 0.00 C ATOM 474 CD ARG A 740 -0.970 3.359 -7.317 1.00 0.00 C ATOM 475 NE ARG A 740 0.205 3.888 -6.627 1.00 0.00 N ATOM 476 CZ ARG A 740 0.417 3.759 -5.320 1.00 0.00 C ATOM 477 NH1 ARG A 740 -0.463 3.122 -4.556 1.00 0.00 N ATOM 478 NH2 ARG A 740 1.512 4.269 -4.772 1.00 0.00 N ATOM 0 H ARG A 740 -2.536 2.388 -9.551 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.296 2.539 -7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.623 4.444 -8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.825 5.118 -7.886 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -1.998 5.045 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -2.735 3.500 -6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -1.063 2.293 -7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -0.836 3.464 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 740 0.903 4.385 -7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -1.308 2.728 -4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -0.294 3.027 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 740 2.192 4.760 -5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 740 1.674 4.170 -3.770 1.00 0.00 H new ATOM 492 N LEU A 741 -5.443 3.663 -10.223 1.00 0.00 N ATOM 493 CA LEU A 741 -6.652 4.082 -10.917 1.00 0.00 C ATOM 494 C LEU A 741 -7.763 3.056 -10.726 1.00 0.00 C ATOM 495 O LEU A 741 -8.937 3.410 -10.608 1.00 0.00 O ATOM 496 CB LEU A 741 -6.370 4.278 -12.409 1.00 0.00 C ATOM 497 CG LEU A 741 -7.437 5.062 -13.173 1.00 0.00 C ATOM 498 CD1 LEU A 741 -7.460 6.515 -12.719 1.00 0.00 C ATOM 499 CD2 LEU A 741 -7.190 4.975 -14.672 1.00 0.00 C ATOM 0 H LEU A 741 -4.632 3.532 -10.828 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.978 5.032 -10.492 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.415 4.793 -12.518 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -6.259 3.298 -12.874 1.00 0.00 H new ATOM 0 HG LEU A 741 -8.410 4.620 -12.958 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -8.226 7.057 -13.274 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -7.684 6.560 -11.653 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -6.487 6.970 -12.905 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -7.959 5.539 -15.201 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -6.210 5.392 -14.904 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.224 3.932 -14.986 1.00 0.00 H new ATOM 511 N LEU A 742 -7.383 1.784 -10.689 1.00 0.00 N ATOM 512 CA LEU A 742 -8.345 0.705 -10.502 1.00 0.00 C ATOM 513 C LEU A 742 -9.080 0.869 -9.177 1.00 0.00 C ATOM 514 O LEU A 742 -10.258 0.534 -9.062 1.00 0.00 O ATOM 515 CB LEU A 742 -7.637 -0.653 -10.547 1.00 0.00 C ATOM 516 CG LEU A 742 -7.632 -1.338 -11.915 1.00 0.00 C ATOM 517 CD1 LEU A 742 -9.047 -1.709 -12.329 1.00 0.00 C ATOM 518 CD2 LEU A 742 -6.988 -0.438 -12.958 1.00 0.00 C ATOM 0 H LEU A 742 -6.416 1.475 -10.786 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.073 0.749 -11.312 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.605 -0.518 -10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.114 -1.318 -9.827 1.00 0.00 H new ATOM 0 HG LEU A 742 -7.045 -2.253 -11.841 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -9.025 -2.195 -13.304 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -9.475 -2.390 -11.593 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -9.657 -0.808 -12.387 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -6.993 -0.941 -13.925 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -7.549 0.494 -13.031 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -5.960 -0.221 -12.667 1.00 0.00 H new ATOM 530 N GLN A 743 -8.375 1.395 -8.180 1.00 0.00 N ATOM 531 CA GLN A 743 -8.961 1.610 -6.865 1.00 0.00 C ATOM 532 C GLN A 743 -10.143 2.571 -6.953 1.00 0.00 C ATOM 533 O GLN A 743 -11.208 2.315 -6.394 1.00 0.00 O ATOM 534 CB GLN A 743 -7.910 2.158 -5.896 1.00 0.00 C ATOM 535 CG GLN A 743 -7.791 1.357 -4.610 1.00 0.00 C ATOM 536 CD GLN A 743 -6.703 0.305 -4.676 1.00 0.00 C ATOM 537 OE1 GLN A 743 -5.960 0.102 -3.716 1.00 0.00 O ATOM 538 NE2 GLN A 743 -6.604 -0.374 -5.814 1.00 0.00 N ATOM 0 H GLN A 743 -7.399 1.679 -8.259 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.320 0.651 -6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -6.941 2.174 -6.395 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.159 3.190 -5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -7.585 2.035 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -8.745 0.875 -4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -7.241 -0.173 -6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -5.891 -1.096 -5.917 1.00 0.00 H new ATOM 547 N ALA A 744 -9.946 3.678 -7.664 1.00 0.00 N ATOM 548 CA ALA A 744 -10.993 4.675 -7.829 1.00 0.00 C ATOM 549 C ALA A 744 -12.111 4.154 -8.724 1.00 0.00 C ATOM 550 O ALA A 744 -13.290 4.260 -8.387 1.00 0.00 O ATOM 551 CB ALA A 744 -10.414 5.962 -8.396 1.00 0.00 C ATOM 0 H ALA A 744 -9.070 3.905 -8.134 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.418 4.885 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.209 6.698 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.657 6.351 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.960 5.760 -9.366 1.00 0.00 H new ATOM 557 N LEU A 745 -11.733 3.586 -9.865 1.00 0.00 N ATOM 558 CA LEU A 745 -12.707 3.045 -10.806 1.00 0.00 C ATOM 559 C LEU A 745 -13.538 1.951 -10.146 1.00 0.00 C ATOM 560 O LEU A 745 -14.765 1.943 -10.249 1.00 0.00 O ATOM 561 CB LEU A 745 -11.999 2.488 -12.046 1.00 0.00 C ATOM 562 CG LEU A 745 -11.015 3.446 -12.722 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.891 2.673 -13.398 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.740 4.327 -13.730 1.00 0.00 C ATOM 0 H LEU A 745 -10.761 3.489 -10.160 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.372 3.853 -11.112 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.462 1.583 -11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.755 2.195 -12.775 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.576 4.086 -11.956 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.203 3.372 -13.872 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.355 2.085 -12.653 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.310 2.008 -14.153 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -11.027 5.003 -14.202 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.206 3.701 -14.491 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.507 4.909 -13.219 1.00 0.00 H new ATOM 576 N MET A 746 -12.863 1.030 -9.467 1.00 0.00 N ATOM 577 CA MET A 746 -13.539 -0.068 -8.787 1.00 0.00 C ATOM 578 C MET A 746 -14.377 0.452 -7.623 1.00 0.00 C ATOM 579 O MET A 746 -15.399 -0.138 -7.270 1.00 0.00 O ATOM 580 CB MET A 746 -12.520 -1.090 -8.282 1.00 0.00 C ATOM 581 CG MET A 746 -11.912 -1.938 -9.386 1.00 0.00 C ATOM 582 SD MET A 746 -11.625 -3.643 -8.874 1.00 0.00 S ATOM 583 CE MET A 746 -9.835 -3.693 -8.848 1.00 0.00 C ATOM 0 H MET A 746 -11.847 1.022 -9.373 1.00 0.00 H new ATOM 0 HA MET A 746 -14.202 -0.554 -9.503 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.722 -0.566 -7.756 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.003 -1.745 -7.557 1.00 0.00 H new ATOM 0 HG2 MET A 746 -12.574 -1.929 -10.252 1.00 0.00 H new ATOM 0 HG3 MET A 746 -10.968 -1.494 -9.702 1.00 0.00 H new ATOM 0 HE1 MET A 746 -9.503 -4.470 -8.160 1.00 0.00 H new ATOM 0 HE2 MET A 746 -9.463 -3.911 -9.849 1.00 0.00 H new ATOM 0 HE3 MET A 746 -9.449 -2.728 -8.519 1.00 0.00 H new ATOM 593 N ASP A 747 -13.940 1.558 -7.027 1.00 0.00 N ATOM 594 CA ASP A 747 -14.652 2.153 -5.903 1.00 0.00 C ATOM 595 C ASP A 747 -16.059 2.576 -6.314 1.00 0.00 C ATOM 596 O ASP A 747 -17.033 2.290 -5.616 1.00 0.00 O ATOM 597 CB ASP A 747 -13.881 3.359 -5.363 1.00 0.00 C ATOM 598 CG ASP A 747 -14.538 3.964 -4.137 1.00 0.00 C ATOM 599 OD1 ASP A 747 -15.334 3.258 -3.482 1.00 0.00 O ATOM 600 OD2 ASP A 747 -14.256 5.141 -3.833 1.00 0.00 O ATOM 0 H ASP A 747 -13.096 2.059 -7.305 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.732 1.402 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -12.864 3.055 -5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.805 4.117 -6.143 1.00 0.00 H new ATOM 605 N ILE A 748 -16.158 3.258 -7.449 1.00 0.00 N ATOM 606 CA ILE A 748 -17.444 3.721 -7.953 1.00 0.00 C ATOM 607 C ILE A 748 -18.370 2.548 -8.256 1.00 0.00 C ATOM 608 O ILE A 748 -19.534 2.542 -7.856 1.00 0.00 O ATOM 609 CB ILE A 748 -17.278 4.574 -9.226 1.00 0.00 C ATOM 610 CG1 ILE A 748 -16.262 5.693 -8.990 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.618 5.151 -9.659 1.00 0.00 C ATOM 612 CD1 ILE A 748 -16.615 6.594 -7.827 1.00 0.00 C ATOM 0 H ILE A 748 -15.362 3.503 -8.038 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.886 4.337 -7.170 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.906 3.934 -10.026 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -15.282 5.251 -8.812 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -16.181 6.296 -9.895 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.482 5.750 -10.559 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.314 4.338 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -19.019 5.778 -8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -15.851 7.364 -7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -17.581 7.064 -8.011 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -16.668 6.004 -6.912 1.00 0.00 H new ATOM 624 N LEU A 749 -17.846 1.554 -8.968 1.00 0.00 N ATOM 625 CA LEU A 749 -18.629 0.377 -9.323 1.00 0.00 C ATOM 626 C LEU A 749 -19.085 -0.367 -8.073 1.00 0.00 C ATOM 627 O LEU A 749 -20.214 -0.851 -8.003 1.00 0.00 O ATOM 628 CB LEU A 749 -17.807 -0.558 -10.213 1.00 0.00 C ATOM 629 CG LEU A 749 -18.608 -1.300 -11.285 1.00 0.00 C ATOM 630 CD1 LEU A 749 -19.764 -2.060 -10.654 1.00 0.00 C ATOM 631 CD2 LEU A 749 -19.116 -0.329 -12.339 1.00 0.00 C ATOM 0 H LEU A 749 -16.885 1.541 -9.309 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.511 0.709 -9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -17.026 0.024 -10.702 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -17.308 -1.292 -9.580 1.00 0.00 H new ATOM 0 HG LEU A 749 -17.950 -2.019 -11.772 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -20.323 -2.582 -11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -19.376 -2.784 -9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -20.423 -1.360 -10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -19.683 -0.875 -13.093 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -19.759 0.415 -11.869 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -18.270 0.170 -12.812 1.00 0.00 H new ATOM 643 N ASN A 750 -18.199 -0.450 -7.086 1.00 0.00 N ATOM 644 CA ASN A 750 -18.508 -1.131 -5.836 1.00 0.00 C ATOM 645 C ASN A 750 -19.496 -0.320 -5.004 1.00 0.00 C ATOM 646 O ASN A 750 -20.428 -0.868 -4.417 1.00 0.00 O ATOM 647 CB ASN A 750 -17.229 -1.377 -5.035 1.00 0.00 C ATOM 648 CG ASN A 750 -16.560 -2.687 -5.401 1.00 0.00 C ATOM 649 OD1 ASN A 750 -16.130 -2.881 -6.538 1.00 0.00 O ATOM 650 ND2 ASN A 750 -16.469 -3.596 -4.437 1.00 0.00 N ATOM 0 H ASN A 750 -17.260 -0.053 -7.129 1.00 0.00 H new ATOM 0 HA ASN A 750 -18.966 -2.090 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.533 -0.556 -5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.465 -1.378 -3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -16.029 -4.497 -4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -16.839 -3.393 -3.508 1.00 0.00 H new ATOM 657 N GLU A 751 -19.284 0.992 -4.959 1.00 0.00 N ATOM 658 CA GLU A 751 -20.155 1.883 -4.200 1.00 0.00 C ATOM 659 C GLU A 751 -20.153 1.512 -2.720 1.00 0.00 C ATOM 660 O GLU A 751 -20.950 0.686 -2.276 1.00 0.00 O ATOM 661 CB GLU A 751 -21.581 1.830 -4.749 1.00 0.00 C ATOM 662 CG GLU A 751 -21.650 1.835 -6.268 1.00 0.00 C ATOM 663 CD GLU A 751 -23.028 1.479 -6.790 1.00 0.00 C ATOM 664 OE1 GLU A 751 -24.010 2.124 -6.363 1.00 0.00 O ATOM 665 OE2 GLU A 751 -23.127 0.554 -7.623 1.00 0.00 O ATOM 0 H GLU A 751 -18.516 1.462 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 751 -19.773 2.899 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -22.072 0.932 -4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -22.141 2.683 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -21.369 2.821 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -20.922 1.127 -6.663 1.00 0.00 H new ATOM 672 N GLU A 752 -19.253 2.129 -1.961 1.00 0.00 N ATOM 673 CA GLU A 752 -19.148 1.863 -0.531 1.00 0.00 C ATOM 674 C GLU A 752 -18.089 2.754 0.111 1.00 0.00 C ATOM 675 O GLU A 752 -17.332 2.312 0.976 1.00 0.00 O ATOM 676 CB GLU A 752 -18.810 0.391 -0.287 1.00 0.00 C ATOM 677 CG GLU A 752 -19.474 -0.189 0.952 1.00 0.00 C ATOM 678 CD GLU A 752 -19.183 0.620 2.200 1.00 0.00 C ATOM 679 OE1 GLU A 752 -18.022 0.608 2.658 1.00 0.00 O ATOM 680 OE2 GLU A 752 -20.119 1.263 2.721 1.00 0.00 O ATOM 0 H GLU A 752 -18.586 2.816 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 752 -20.112 2.087 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -19.112 -0.192 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -17.729 0.286 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -20.552 -0.234 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -19.130 -1.213 1.099 1.00 0.00 H new ATOM 687 N ASN A 753 -18.042 4.010 -0.319 1.00 0.00 N ATOM 688 CA ASN A 753 -17.077 4.966 0.213 1.00 0.00 C ATOM 689 C ASN A 753 -17.784 6.169 0.828 1.00 0.00 C ATOM 690 O ASN A 753 -18.642 6.763 0.143 1.00 0.00 O ATOM 691 CB ASN A 753 -16.124 5.429 -0.891 1.00 0.00 C ATOM 692 CG ASN A 753 -15.037 6.347 -0.369 1.00 0.00 C ATOM 693 OD1 ASN A 753 -14.891 6.531 0.839 1.00 0.00 O ATOM 694 ND2 ASN A 753 -14.267 6.930 -1.281 1.00 0.00 N ATOM 695 OXT ASN A 753 -17.473 6.507 1.990 1.00 0.00 O ATOM 0 H ASN A 753 -18.661 4.390 -1.035 1.00 0.00 H new ATOM 0 HA ASN A 753 -16.503 4.467 0.994 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -15.666 4.558 -1.360 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -16.692 5.946 -1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -13.519 7.559 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -14.424 6.748 -2.272 1.00 0.00 H new TER 702 ASN A 753