USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 338 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 719 SER OG : rot 43:sc= -1.35 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 180:sc= 0 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 731 THR OG1 : rot -66:sc= 0.997 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= -0.617 K(o=-0.62,f=-0.015) USER MOD Single : A 743 GLN : amide:sc= -0.671 K(o=-0.67,f=-1.4) USER MOD Single : A 746 MET CE :methyl -111:sc= -0.731 (180deg=-2.71!) USER MOD Single : A 750 ASN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 -9.918 -0.577 10.352 1.00 0.00 N ATOM 2 CA SER A 711 -10.602 0.677 10.764 1.00 0.00 C ATOM 3 C SER A 711 -12.055 0.413 11.143 1.00 0.00 C ATOM 4 O SER A 711 -12.577 -0.678 10.915 1.00 0.00 O ATOM 5 CB SER A 711 -10.530 1.674 9.607 1.00 0.00 C ATOM 6 OG SER A 711 -9.401 2.520 9.730 1.00 0.00 O ATOM 0 HA SER A 711 -10.103 1.085 11.643 1.00 0.00 H new ATOM 0 HB2 SER A 711 -10.482 1.135 8.661 1.00 0.00 H new ATOM 0 HB3 SER A 711 -11.438 2.276 9.585 1.00 0.00 H new ATOM 0 HG SER A 711 -9.378 3.146 8.977 1.00 0.00 H new ATOM 12 N LYS A 712 -12.702 1.421 11.721 1.00 0.00 N ATOM 13 CA LYS A 712 -14.099 1.304 12.134 1.00 0.00 C ATOM 14 C LYS A 712 -14.243 0.335 13.304 1.00 0.00 C ATOM 15 O LYS A 712 -14.572 0.740 14.420 1.00 0.00 O ATOM 16 CB LYS A 712 -14.968 0.841 10.963 1.00 0.00 C ATOM 17 CG LYS A 712 -16.460 0.990 11.216 1.00 0.00 C ATOM 18 CD LYS A 712 -16.880 2.451 11.225 1.00 0.00 C ATOM 19 CE LYS A 712 -16.900 3.033 9.821 1.00 0.00 C ATOM 20 NZ LYS A 712 -16.650 4.501 9.823 1.00 0.00 N ATOM 0 H LYS A 712 -12.281 2.330 11.915 1.00 0.00 H new ATOM 0 HA LYS A 712 -14.436 2.289 12.457 1.00 0.00 H new ATOM 0 HB2 LYS A 712 -14.700 1.412 10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 712 -14.747 -0.205 10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 712 -17.016 0.455 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 712 -16.716 0.531 12.171 1.00 0.00 H new ATOM 0 HD2 LYS A 712 -17.870 2.544 11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 712 -16.193 3.024 11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 712 -16.144 2.537 9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 712 -17.866 2.830 9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 -16.672 4.858 8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 -17.386 4.978 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 -15.717 4.694 10.241 1.00 0.00 H new ATOM 34 N LEU A 713 -13.997 -0.944 13.044 1.00 0.00 N ATOM 35 CA LEU A 713 -14.099 -1.969 14.076 1.00 0.00 C ATOM 36 C LEU A 713 -12.730 -2.559 14.397 1.00 0.00 C ATOM 37 O LEU A 713 -12.391 -3.650 13.939 1.00 0.00 O ATOM 38 CB LEU A 713 -15.055 -3.078 13.630 1.00 0.00 C ATOM 39 CG LEU A 713 -15.751 -3.829 14.767 1.00 0.00 C ATOM 40 CD1 LEU A 713 -14.724 -4.458 15.697 1.00 0.00 C ATOM 41 CD2 LEU A 713 -16.669 -2.893 15.538 1.00 0.00 C ATOM 0 H LEU A 713 -13.725 -1.296 12.126 1.00 0.00 H new ATOM 0 HA LEU A 713 -14.492 -1.501 14.979 1.00 0.00 H new ATOM 0 HB2 LEU A 713 -15.816 -2.642 12.983 1.00 0.00 H new ATOM 0 HB3 LEU A 713 -14.498 -3.796 13.028 1.00 0.00 H new ATOM 0 HG LEU A 713 -16.356 -4.626 14.336 1.00 0.00 H new ATOM 0 HD11 LEU A 713 -15.237 -4.988 16.500 1.00 0.00 H new ATOM 0 HD12 LEU A 713 -14.106 -5.159 15.136 1.00 0.00 H new ATOM 0 HD13 LEU A 713 -14.093 -3.678 16.122 1.00 0.00 H new ATOM 0 HD21 LEU A 713 -17.156 -3.443 16.343 1.00 0.00 H new ATOM 0 HD22 LEU A 713 -16.084 -2.075 15.959 1.00 0.00 H new ATOM 0 HD23 LEU A 713 -17.425 -2.489 14.865 1.00 0.00 H new ATOM 53 N GLU A 714 -11.946 -1.829 15.184 1.00 0.00 N ATOM 54 CA GLU A 714 -10.615 -2.275 15.565 1.00 0.00 C ATOM 55 C GLU A 714 -10.669 -3.160 16.807 1.00 0.00 C ATOM 56 O GLU A 714 -9.969 -2.913 17.789 1.00 0.00 O ATOM 57 CB GLU A 714 -9.705 -1.071 15.816 1.00 0.00 C ATOM 58 CG GLU A 714 -9.246 -0.380 14.542 1.00 0.00 C ATOM 59 CD GLU A 714 -9.204 1.129 14.682 1.00 0.00 C ATOM 60 OE1 GLU A 714 -10.030 1.679 15.439 1.00 0.00 O ATOM 61 OE2 GLU A 714 -8.344 1.761 14.031 1.00 0.00 O ATOM 0 H GLU A 714 -12.213 -0.923 15.570 1.00 0.00 H new ATOM 0 HA GLU A 714 -10.207 -2.864 14.744 1.00 0.00 H new ATOM 0 HB2 GLU A 714 -10.233 -0.350 16.440 1.00 0.00 H new ATOM 0 HB3 GLU A 714 -8.830 -1.398 16.378 1.00 0.00 H new ATOM 0 HG2 GLU A 714 -8.255 -0.744 14.272 1.00 0.00 H new ATOM 0 HG3 GLU A 714 -9.917 -0.647 13.726 1.00 0.00 H new ATOM 68 N GLY A 715 -11.504 -4.193 16.758 1.00 0.00 N ATOM 69 CA GLY A 715 -11.631 -5.098 17.885 1.00 0.00 C ATOM 70 C GLY A 715 -12.417 -6.347 17.539 1.00 0.00 C ATOM 71 O GLY A 715 -13.533 -6.540 18.021 1.00 0.00 O ATOM 0 H GLY A 715 -12.095 -4.419 15.958 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -10.638 -5.382 18.233 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.121 -4.580 18.709 1.00 0.00 H new ATOM 75 N SER A 716 -11.834 -7.198 16.701 1.00 0.00 N ATOM 76 CA SER A 716 -12.487 -8.436 16.291 1.00 0.00 C ATOM 77 C SER A 716 -11.474 -9.568 16.160 1.00 0.00 C ATOM 78 O SER A 716 -11.048 -9.910 15.056 1.00 0.00 O ATOM 79 CB SER A 716 -13.219 -8.234 14.963 1.00 0.00 C ATOM 80 OG SER A 716 -14.405 -9.008 14.911 1.00 0.00 O ATOM 0 H SER A 716 -10.911 -7.053 16.293 1.00 0.00 H new ATOM 0 HA SER A 716 -13.211 -8.708 17.059 1.00 0.00 H new ATOM 0 HB2 SER A 716 -13.463 -7.179 14.836 1.00 0.00 H new ATOM 0 HB3 SER A 716 -12.564 -8.511 14.137 1.00 0.00 H new ATOM 0 HG SER A 716 -14.855 -8.860 14.053 1.00 0.00 H new ATOM 86 N GLU A 717 -11.091 -10.145 17.294 1.00 0.00 N ATOM 87 CA GLU A 717 -10.126 -11.240 17.307 1.00 0.00 C ATOM 88 C GLU A 717 -10.744 -12.504 17.883 1.00 0.00 C ATOM 89 O GLU A 717 -10.090 -13.252 18.611 1.00 0.00 O ATOM 90 CB GLU A 717 -8.885 -10.847 18.113 1.00 0.00 C ATOM 91 CG GLU A 717 -7.837 -10.111 17.297 1.00 0.00 C ATOM 92 CD GLU A 717 -6.425 -10.544 17.635 1.00 0.00 C ATOM 93 OE1 GLU A 717 -6.225 -11.742 17.929 1.00 0.00 O ATOM 94 OE2 GLU A 717 -5.517 -9.686 17.607 1.00 0.00 O ATOM 0 H GLU A 717 -11.433 -9.873 18.216 1.00 0.00 H new ATOM 0 HA GLU A 717 -9.831 -11.442 16.277 1.00 0.00 H new ATOM 0 HB2 GLU A 717 -9.190 -10.218 18.949 1.00 0.00 H new ATOM 0 HB3 GLU A 717 -8.438 -11.746 18.537 1.00 0.00 H new ATOM 0 HG2 GLU A 717 -8.021 -10.282 16.236 1.00 0.00 H new ATOM 0 HG3 GLU A 717 -7.935 -9.039 17.469 1.00 0.00 H new ATOM 101 N ASP A 718 -12.005 -12.745 17.546 1.00 0.00 N ATOM 102 CA ASP A 718 -12.702 -13.929 18.023 1.00 0.00 C ATOM 103 C ASP A 718 -12.859 -14.948 16.907 1.00 0.00 C ATOM 104 O ASP A 718 -13.697 -14.798 16.019 1.00 0.00 O ATOM 105 CB ASP A 718 -14.070 -13.571 18.589 1.00 0.00 C ATOM 106 CG ASP A 718 -14.835 -12.608 17.701 1.00 0.00 C ATOM 107 OD1 ASP A 718 -15.486 -13.074 16.743 1.00 0.00 O ATOM 108 OD2 ASP A 718 -14.782 -11.388 17.964 1.00 0.00 O ATOM 0 H ASP A 718 -12.563 -12.137 16.946 1.00 0.00 H new ATOM 0 HA ASP A 718 -12.100 -14.365 18.820 1.00 0.00 H new ATOM 0 HB2 ASP A 718 -14.655 -14.482 18.720 1.00 0.00 H new ATOM 0 HB3 ASP A 718 -13.946 -13.128 19.577 1.00 0.00 H new ATOM 113 N SER A 719 -12.041 -15.983 16.968 1.00 0.00 N ATOM 114 CA SER A 719 -12.065 -17.045 15.974 1.00 0.00 C ATOM 115 C SER A 719 -11.301 -18.269 16.466 1.00 0.00 C ATOM 116 O SER A 719 -10.096 -18.390 16.247 1.00 0.00 O ATOM 117 CB SER A 719 -11.466 -16.548 14.660 1.00 0.00 C ATOM 118 OG SER A 719 -12.477 -16.097 13.774 1.00 0.00 O ATOM 0 H SER A 719 -11.345 -16.113 17.702 1.00 0.00 H new ATOM 0 HA SER A 719 -13.103 -17.333 15.808 1.00 0.00 H new ATOM 0 HB2 SER A 719 -10.766 -15.737 14.860 1.00 0.00 H new ATOM 0 HB3 SER A 719 -10.898 -17.351 14.190 1.00 0.00 H new ATOM 0 HG SER A 719 -13.132 -15.563 14.270 1.00 0.00 H new ATOM 124 N LEU A 720 -12.009 -19.175 17.134 1.00 0.00 N ATOM 125 CA LEU A 720 -11.395 -20.390 17.657 1.00 0.00 C ATOM 126 C LEU A 720 -11.163 -21.410 16.549 1.00 0.00 C ATOM 127 O LEU A 720 -10.286 -22.267 16.653 1.00 0.00 O ATOM 128 CB LEU A 720 -12.273 -20.998 18.753 1.00 0.00 C ATOM 129 CG LEU A 720 -12.854 -19.993 19.751 1.00 0.00 C ATOM 130 CD1 LEU A 720 -14.287 -19.640 19.380 1.00 0.00 C ATOM 131 CD2 LEU A 720 -12.790 -20.548 21.166 1.00 0.00 C ATOM 0 H LEU A 720 -13.007 -19.090 17.325 1.00 0.00 H new ATOM 0 HA LEU A 720 -10.427 -20.122 18.081 1.00 0.00 H new ATOM 0 HB2 LEU A 720 -13.096 -21.536 18.282 1.00 0.00 H new ATOM 0 HB3 LEU A 720 -11.685 -21.733 19.302 1.00 0.00 H new ATOM 0 HG LEU A 720 -12.255 -19.083 19.711 1.00 0.00 H new ATOM 0 HD11 LEU A 720 -14.684 -18.925 20.100 1.00 0.00 H new ATOM 0 HD12 LEU A 720 -14.307 -19.200 18.383 1.00 0.00 H new ATOM 0 HD13 LEU A 720 -14.898 -20.542 19.391 1.00 0.00 H new ATOM 0 HD21 LEU A 720 -13.207 -19.820 21.862 1.00 0.00 H new ATOM 0 HD22 LEU A 720 -13.365 -21.473 21.220 1.00 0.00 H new ATOM 0 HD23 LEU A 720 -11.752 -20.750 21.431 1.00 0.00 H new ATOM 143 N TYR A 721 -11.954 -21.311 15.488 1.00 0.00 N ATOM 144 CA TYR A 721 -11.837 -22.226 14.357 1.00 0.00 C ATOM 145 C TYR A 721 -11.361 -21.497 13.106 1.00 0.00 C ATOM 146 O TYR A 721 -10.736 -22.091 12.227 1.00 0.00 O ATOM 147 CB TYR A 721 -13.178 -22.909 14.084 1.00 0.00 C ATOM 148 CG TYR A 721 -13.739 -23.646 15.280 1.00 0.00 C ATOM 149 CD1 TYR A 721 -13.219 -24.872 15.670 1.00 0.00 C ATOM 150 CD2 TYR A 721 -14.789 -23.112 16.017 1.00 0.00 C ATOM 151 CE1 TYR A 721 -13.729 -25.549 16.762 1.00 0.00 C ATOM 152 CE2 TYR A 721 -15.304 -23.782 17.111 1.00 0.00 C ATOM 153 CZ TYR A 721 -14.771 -25.000 17.478 1.00 0.00 C ATOM 154 OH TYR A 721 -15.282 -25.670 18.566 1.00 0.00 O ATOM 0 H TYR A 721 -12.684 -20.606 15.386 1.00 0.00 H new ATOM 0 HA TYR A 721 -11.096 -22.983 14.615 1.00 0.00 H new ATOM 0 HB2 TYR A 721 -13.899 -22.158 13.760 1.00 0.00 H new ATOM 0 HB3 TYR A 721 -13.057 -23.611 13.259 1.00 0.00 H new ATOM 0 HD1 TYR A 721 -12.402 -25.304 15.111 1.00 0.00 H new ATOM 0 HD2 TYR A 721 -15.209 -22.159 15.731 1.00 0.00 H new ATOM 0 HE1 TYR A 721 -13.313 -26.503 17.052 1.00 0.00 H new ATOM 0 HE2 TYR A 721 -16.119 -23.354 17.675 1.00 0.00 H new ATOM 0 HH TYR A 721 -16.011 -25.147 18.960 1.00 0.00 H new ATOM 164 N SER A 722 -11.661 -20.208 13.032 1.00 0.00 N ATOM 165 CA SER A 722 -11.268 -19.393 11.890 1.00 0.00 C ATOM 166 C SER A 722 -9.762 -19.152 11.876 1.00 0.00 C ATOM 167 O SER A 722 -9.178 -18.866 10.830 1.00 0.00 O ATOM 168 CB SER A 722 -12.012 -18.056 11.910 1.00 0.00 C ATOM 169 OG SER A 722 -12.501 -17.724 10.622 1.00 0.00 O ATOM 0 H SER A 722 -12.177 -19.702 13.752 1.00 0.00 H new ATOM 0 HA SER A 722 -11.534 -19.937 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 722 -12.842 -18.109 12.615 1.00 0.00 H new ATOM 0 HB3 SER A 722 -11.344 -17.270 12.262 1.00 0.00 H new ATOM 0 HG SER A 722 -12.974 -16.866 10.663 1.00 0.00 H new ATOM 175 N ASP A 723 -9.139 -19.268 13.042 1.00 0.00 N ATOM 176 CA ASP A 723 -7.701 -19.061 13.167 1.00 0.00 C ATOM 177 C ASP A 723 -6.926 -20.129 12.406 1.00 0.00 C ATOM 178 O ASP A 723 -5.845 -19.872 11.877 1.00 0.00 O ATOM 179 CB ASP A 723 -7.288 -19.063 14.639 1.00 0.00 C ATOM 180 CG ASP A 723 -5.954 -18.379 14.866 1.00 0.00 C ATOM 181 OD1 ASP A 723 -5.934 -17.134 14.963 1.00 0.00 O ATOM 182 OD2 ASP A 723 -4.930 -19.088 14.948 1.00 0.00 O ATOM 0 H ASP A 723 -9.608 -19.505 13.916 1.00 0.00 H new ATOM 0 HA ASP A 723 -7.463 -18.090 12.733 1.00 0.00 H new ATOM 0 HB2 ASP A 723 -8.055 -18.562 15.229 1.00 0.00 H new ATOM 0 HB3 ASP A 723 -7.231 -20.091 14.996 1.00 0.00 H new ATOM 187 N TYR A 724 -7.488 -21.327 12.360 1.00 0.00 N ATOM 188 CA TYR A 724 -6.856 -22.444 11.668 1.00 0.00 C ATOM 189 C TYR A 724 -6.822 -22.203 10.162 1.00 0.00 C ATOM 190 O TYR A 724 -5.886 -22.616 9.478 1.00 0.00 O ATOM 191 CB TYR A 724 -7.597 -23.746 11.972 1.00 0.00 C ATOM 192 CG TYR A 724 -7.416 -24.230 13.393 1.00 0.00 C ATOM 193 CD1 TYR A 724 -8.088 -23.621 14.446 1.00 0.00 C ATOM 194 CD2 TYR A 724 -6.570 -25.294 13.683 1.00 0.00 C ATOM 195 CE1 TYR A 724 -7.924 -24.060 15.745 1.00 0.00 C ATOM 196 CE2 TYR A 724 -6.402 -25.738 14.980 1.00 0.00 C ATOM 197 CZ TYR A 724 -7.080 -25.118 16.008 1.00 0.00 C ATOM 198 OH TYR A 724 -6.915 -25.557 17.302 1.00 0.00 O ATOM 0 H TYR A 724 -8.383 -21.553 12.794 1.00 0.00 H new ATOM 0 HA TYR A 724 -5.830 -22.527 12.027 1.00 0.00 H new ATOM 0 HB2 TYR A 724 -8.660 -23.602 11.779 1.00 0.00 H new ATOM 0 HB3 TYR A 724 -7.250 -24.520 11.287 1.00 0.00 H new ATOM 0 HD1 TYR A 724 -8.749 -22.791 14.245 1.00 0.00 H new ATOM 0 HD2 TYR A 724 -6.035 -25.781 12.881 1.00 0.00 H new ATOM 0 HE1 TYR A 724 -8.455 -23.576 16.552 1.00 0.00 H new ATOM 0 HE2 TYR A 724 -5.742 -26.567 15.188 1.00 0.00 H new ATOM 0 HH TYR A 724 -6.288 -26.310 17.314 1.00 0.00 H new ATOM 208 N VAL A 725 -7.845 -21.525 9.655 1.00 0.00 N ATOM 209 CA VAL A 725 -7.934 -21.218 8.237 1.00 0.00 C ATOM 210 C VAL A 725 -7.050 -20.034 7.903 1.00 0.00 C ATOM 211 O VAL A 725 -6.166 -20.108 7.051 1.00 0.00 O ATOM 212 CB VAL A 725 -9.377 -20.875 7.826 1.00 0.00 C ATOM 213 CG1 VAL A 725 -9.659 -21.333 6.404 1.00 0.00 C ATOM 214 CG2 VAL A 725 -10.380 -21.472 8.798 1.00 0.00 C ATOM 0 H VAL A 725 -8.627 -21.177 10.210 1.00 0.00 H new ATOM 0 HA VAL A 725 -7.607 -22.104 7.692 1.00 0.00 H new ATOM 0 HB VAL A 725 -9.485 -19.791 7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 725 -10.685 -21.079 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 725 -8.972 -20.836 5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 725 -9.522 -22.412 6.336 1.00 0.00 H new ATOM 0 HG21 VAL A 725 -11.391 -21.213 8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 725 -10.271 -22.556 8.813 1.00 0.00 H new ATOM 0 HG23 VAL A 725 -10.199 -21.075 9.797 1.00 0.00 H new ATOM 224 N ASP A 726 -7.317 -18.941 8.595 1.00 0.00 N ATOM 225 CA ASP A 726 -6.573 -17.698 8.408 1.00 0.00 C ATOM 226 C ASP A 726 -5.067 -17.943 8.447 1.00 0.00 C ATOM 227 O ASP A 726 -4.352 -17.625 7.495 1.00 0.00 O ATOM 228 CB ASP A 726 -6.962 -16.682 9.483 1.00 0.00 C ATOM 229 CG ASP A 726 -8.141 -15.824 9.068 1.00 0.00 C ATOM 230 OD1 ASP A 726 -9.291 -16.295 9.195 1.00 0.00 O ATOM 231 OD2 ASP A 726 -7.915 -14.683 8.616 1.00 0.00 O ATOM 0 H ASP A 726 -8.051 -18.885 9.301 1.00 0.00 H new ATOM 0 HA ASP A 726 -6.829 -17.300 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 726 -7.206 -17.209 10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 726 -6.108 -16.041 9.699 1.00 0.00 H new ATOM 236 N VAL A 727 -4.589 -18.509 9.551 1.00 0.00 N ATOM 237 CA VAL A 727 -3.168 -18.793 9.708 1.00 0.00 C ATOM 238 C VAL A 727 -2.670 -19.732 8.617 1.00 0.00 C ATOM 239 O VAL A 727 -1.496 -19.707 8.248 1.00 0.00 O ATOM 240 CB VAL A 727 -2.865 -19.414 11.086 1.00 0.00 C ATOM 241 CG1 VAL A 727 -1.366 -19.584 11.281 1.00 0.00 C ATOM 242 CG2 VAL A 727 -3.462 -18.563 12.198 1.00 0.00 C ATOM 0 H VAL A 727 -5.164 -18.779 10.349 1.00 0.00 H new ATOM 0 HA VAL A 727 -2.646 -17.840 9.627 1.00 0.00 H new ATOM 0 HB VAL A 727 -3.326 -20.401 11.127 1.00 0.00 H new ATOM 0 HG11 VAL A 727 -1.174 -20.024 12.260 1.00 0.00 H new ATOM 0 HG12 VAL A 727 -0.970 -20.239 10.505 1.00 0.00 H new ATOM 0 HG13 VAL A 727 -0.878 -18.611 11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 727 -3.238 -19.017 13.163 1.00 0.00 H new ATOM 0 HG22 VAL A 727 -3.034 -17.561 12.160 1.00 0.00 H new ATOM 0 HG23 VAL A 727 -4.542 -18.501 12.068 1.00 0.00 H new ATOM 252 N PHE A 728 -3.572 -20.556 8.103 1.00 0.00 N ATOM 253 CA PHE A 728 -3.232 -21.505 7.049 1.00 0.00 C ATOM 254 C PHE A 728 -3.199 -20.821 5.686 1.00 0.00 C ATOM 255 O PHE A 728 -2.536 -21.288 4.760 1.00 0.00 O ATOM 256 CB PHE A 728 -4.234 -22.661 7.029 1.00 0.00 C ATOM 257 CG PHE A 728 -3.837 -23.816 7.905 1.00 0.00 C ATOM 258 CD1 PHE A 728 -3.341 -23.598 9.180 1.00 0.00 C ATOM 259 CD2 PHE A 728 -3.960 -25.119 7.451 1.00 0.00 C ATOM 260 CE1 PHE A 728 -2.975 -24.659 9.986 1.00 0.00 C ATOM 261 CE2 PHE A 728 -3.597 -26.184 8.253 1.00 0.00 C ATOM 262 CZ PHE A 728 -3.103 -25.954 9.522 1.00 0.00 C ATOM 0 H PHE A 728 -4.548 -20.587 8.399 1.00 0.00 H new ATOM 0 HA PHE A 728 -2.238 -21.899 7.260 1.00 0.00 H new ATOM 0 HB2 PHE A 728 -5.209 -22.292 7.348 1.00 0.00 H new ATOM 0 HB3 PHE A 728 -4.347 -23.015 6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 728 -3.239 -22.588 9.548 1.00 0.00 H new ATOM 0 HD2 PHE A 728 -4.344 -25.305 6.459 1.00 0.00 H new ATOM 0 HE1 PHE A 728 -2.589 -24.476 10.978 1.00 0.00 H new ATOM 0 HE2 PHE A 728 -3.699 -27.195 7.888 1.00 0.00 H new ATOM 0 HZ PHE A 728 -2.817 -26.785 10.150 1.00 0.00 H new ATOM 272 N TYR A 729 -3.921 -19.712 5.572 1.00 0.00 N ATOM 273 CA TYR A 729 -3.977 -18.960 4.325 1.00 0.00 C ATOM 274 C TYR A 729 -3.033 -17.760 4.359 1.00 0.00 C ATOM 275 O TYR A 729 -2.693 -17.198 3.318 1.00 0.00 O ATOM 276 CB TYR A 729 -5.408 -18.489 4.054 1.00 0.00 C ATOM 277 CG TYR A 729 -6.285 -19.548 3.424 1.00 0.00 C ATOM 278 CD1 TYR A 729 -6.467 -20.782 4.037 1.00 0.00 C ATOM 279 CD2 TYR A 729 -6.931 -19.313 2.217 1.00 0.00 C ATOM 280 CE1 TYR A 729 -7.267 -21.751 3.464 1.00 0.00 C ATOM 281 CE2 TYR A 729 -7.734 -20.278 1.638 1.00 0.00 C ATOM 282 CZ TYR A 729 -7.899 -21.494 2.265 1.00 0.00 C ATOM 283 OH TYR A 729 -8.697 -22.457 1.692 1.00 0.00 O ATOM 0 H TYR A 729 -4.476 -19.314 6.329 1.00 0.00 H new ATOM 0 HA TYR A 729 -3.658 -19.623 3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 729 -5.859 -18.167 4.992 1.00 0.00 H new ATOM 0 HB3 TYR A 729 -5.377 -17.618 3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 729 -5.975 -20.986 4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 729 -6.804 -18.361 1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 729 -7.397 -22.705 3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 729 -8.229 -20.080 0.699 1.00 0.00 H new ATOM 0 HH TYR A 729 -9.068 -22.116 0.851 1.00 0.00 H new ATOM 293 N ASN A 730 -2.614 -17.370 5.560 1.00 0.00 N ATOM 294 CA ASN A 730 -1.711 -16.236 5.725 1.00 0.00 C ATOM 295 C ASN A 730 -2.378 -14.940 5.272 1.00 0.00 C ATOM 296 O ASN A 730 -1.773 -14.131 4.568 1.00 0.00 O ATOM 297 CB ASN A 730 -0.420 -16.464 4.936 1.00 0.00 C ATOM 298 CG ASN A 730 0.787 -15.842 5.611 1.00 0.00 C ATOM 299 OD1 ASN A 730 0.849 -14.627 5.802 1.00 0.00 O ATOM 300 ND2 ASN A 730 1.756 -16.674 5.977 1.00 0.00 N ATOM 0 H ASN A 730 -2.886 -17.823 6.433 1.00 0.00 H new ATOM 0 HA ASN A 730 -1.468 -16.148 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 730 -0.255 -17.535 4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 730 -0.530 -16.045 3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 730 2.592 -16.313 6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 730 1.664 -17.674 5.799 1.00 0.00 H new ATOM 307 N THR A 731 -3.629 -14.752 5.682 1.00 0.00 N ATOM 308 CA THR A 731 -4.385 -13.556 5.322 1.00 0.00 C ATOM 309 C THR A 731 -4.483 -13.406 3.807 1.00 0.00 C ATOM 310 O THR A 731 -3.747 -14.051 3.060 1.00 0.00 O ATOM 311 CB THR A 731 -3.734 -12.309 5.928 1.00 0.00 C ATOM 312 OG1 THR A 731 -2.628 -11.891 5.149 1.00 0.00 O ATOM 313 CG2 THR A 731 -3.248 -12.514 7.347 1.00 0.00 C ATOM 0 H THR A 731 -4.142 -15.414 6.265 1.00 0.00 H new ATOM 0 HA THR A 731 -5.392 -13.663 5.724 1.00 0.00 H new ATOM 0 HB THR A 731 -4.518 -11.552 5.938 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.923 -12.570 5.191 1.00 0.00 H new ATOM 0 HG21 THR A 731 -2.798 -11.592 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 731 -4.090 -12.786 7.984 1.00 0.00 H new ATOM 0 HG23 THR A 731 -2.506 -13.312 7.366 1.00 0.00 H new ATOM 321 N LYS A 732 -5.398 -12.552 3.361 1.00 0.00 N ATOM 322 CA LYS A 732 -5.594 -12.317 1.935 1.00 0.00 C ATOM 323 C LYS A 732 -4.599 -11.289 1.409 1.00 0.00 C ATOM 324 O LYS A 732 -3.881 -11.541 0.442 1.00 0.00 O ATOM 325 CB LYS A 732 -7.019 -11.829 1.665 1.00 0.00 C ATOM 326 CG LYS A 732 -7.740 -12.620 0.586 1.00 0.00 C ATOM 327 CD LYS A 732 -7.686 -11.909 -0.757 1.00 0.00 C ATOM 328 CE LYS A 732 -6.444 -12.298 -1.543 1.00 0.00 C ATOM 329 NZ LYS A 732 -6.437 -11.695 -2.904 1.00 0.00 N ATOM 0 H LYS A 732 -6.016 -12.011 3.966 1.00 0.00 H new ATOM 0 HA LYS A 732 -5.430 -13.262 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 732 -7.594 -11.884 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 732 -6.985 -10.779 1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 732 -7.288 -13.608 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 732 -8.779 -12.771 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 732 -8.576 -12.155 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 732 -7.696 -10.830 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 732 -5.555 -11.978 -0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 732 -6.392 -13.384 -1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 -5.574 -11.984 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 -7.272 -12.021 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 -6.460 -10.658 -2.825 1.00 0.00 H new ATOM 343 N PRO A 733 -4.560 -10.102 2.035 1.00 0.00 N ATOM 344 CA PRO A 733 -3.672 -9.021 1.629 1.00 0.00 C ATOM 345 C PRO A 733 -2.335 -9.052 2.362 1.00 0.00 C ATOM 346 O PRO A 733 -2.286 -9.240 3.577 1.00 0.00 O ATOM 347 CB PRO A 733 -4.488 -7.803 2.034 1.00 0.00 C ATOM 348 CG PRO A 733 -5.136 -8.218 3.312 1.00 0.00 C ATOM 349 CD PRO A 733 -5.393 -9.702 3.189 1.00 0.00 C ATOM 0 HA PRO A 733 -3.395 -9.060 0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 733 -3.856 -6.926 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 733 -5.227 -7.547 1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 733 -4.491 -8.004 4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 733 -6.066 -7.673 3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 733 -5.106 -10.235 4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 733 -6.448 -9.914 3.015 1.00 0.00 H new ATOM 357 N TYR A 734 -1.253 -8.864 1.614 1.00 0.00 N ATOM 358 CA TYR A 734 0.086 -8.870 2.191 1.00 0.00 C ATOM 359 C TYR A 734 1.005 -7.907 1.447 1.00 0.00 C ATOM 360 O TYR A 734 1.717 -7.112 2.060 1.00 0.00 O ATOM 361 CB TYR A 734 0.673 -10.282 2.157 1.00 0.00 C ATOM 362 CG TYR A 734 0.482 -10.986 0.833 1.00 0.00 C ATOM 363 CD1 TYR A 734 -0.661 -11.734 0.581 1.00 0.00 C ATOM 364 CD2 TYR A 734 1.445 -10.902 -0.166 1.00 0.00 C ATOM 365 CE1 TYR A 734 -0.839 -12.378 -0.629 1.00 0.00 C ATOM 366 CE2 TYR A 734 1.274 -11.543 -1.377 1.00 0.00 C ATOM 367 CZ TYR A 734 0.130 -12.280 -1.604 1.00 0.00 C ATOM 368 OH TYR A 734 -0.044 -12.921 -2.809 1.00 0.00 O ATOM 0 H TYR A 734 -1.277 -8.706 0.607 1.00 0.00 H new ATOM 0 HA TYR A 734 0.008 -8.541 3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 734 1.739 -10.229 2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 734 0.212 -10.877 2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 734 -1.423 -11.814 1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 734 2.342 -10.326 0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 734 -1.734 -12.955 -0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 734 2.032 -11.468 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 734 0.730 -12.750 -3.385 1.00 0.00 H new ATOM 378 N LYS A 735 0.982 -7.983 0.119 1.00 0.00 N ATOM 379 CA LYS A 735 1.813 -7.118 -0.711 1.00 0.00 C ATOM 380 C LYS A 735 0.955 -6.130 -1.494 1.00 0.00 C ATOM 381 O LYS A 735 0.370 -6.478 -2.519 1.00 0.00 O ATOM 382 CB LYS A 735 2.655 -7.956 -1.675 1.00 0.00 C ATOM 383 CG LYS A 735 3.752 -7.167 -2.369 1.00 0.00 C ATOM 384 CD LYS A 735 4.346 -7.943 -3.533 1.00 0.00 C ATOM 385 CE LYS A 735 3.447 -7.887 -4.756 1.00 0.00 C ATOM 386 NZ LYS A 735 3.805 -6.758 -5.659 1.00 0.00 N ATOM 0 H LYS A 735 0.397 -8.634 -0.404 1.00 0.00 H new ATOM 0 HA LYS A 735 2.477 -6.555 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 735 3.106 -8.783 -1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 735 2.001 -8.393 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 735 3.348 -6.221 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 735 4.537 -6.926 -1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 735 5.326 -7.535 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 735 4.498 -8.982 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 735 3.520 -8.827 -5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 735 2.409 -7.783 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 3.168 -6.755 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 3.711 -5.859 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 4.787 -6.870 -5.983 1.00 0.00 H new ATOM 400 N HIS A 736 0.886 -4.897 -1.005 1.00 0.00 N ATOM 401 CA HIS A 736 0.099 -3.857 -1.660 1.00 0.00 C ATOM 402 C HIS A 736 0.985 -2.970 -2.527 1.00 0.00 C ATOM 403 O HIS A 736 0.767 -1.762 -2.624 1.00 0.00 O ATOM 404 CB HIS A 736 -0.629 -3.007 -0.617 1.00 0.00 C ATOM 405 CG HIS A 736 -1.966 -3.556 -0.228 1.00 0.00 C ATOM 406 ND1 HIS A 736 -2.234 -4.906 -0.156 1.00 0.00 N ATOM 407 CD2 HIS A 736 -3.117 -2.928 0.113 1.00 0.00 C ATOM 408 CE1 HIS A 736 -3.490 -5.086 0.211 1.00 0.00 C ATOM 409 NE2 HIS A 736 -4.047 -3.902 0.381 1.00 0.00 N ATOM 0 H HIS A 736 1.365 -4.593 -0.158 1.00 0.00 H new ATOM 0 HA HIS A 736 -0.637 -4.342 -2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 736 -0.005 -2.925 0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 736 -0.759 -1.998 -1.009 1.00 0.00 H new ATOM 0 HD2 HIS A 736 -3.274 -1.861 0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 736 -3.978 -6.040 0.348 1.00 0.00 H new ATOM 0 HE2 HIS A 736 -5.012 -3.737 0.666 1.00 0.00 H new ATOM 418 N ARG A 737 1.985 -3.577 -3.158 1.00 0.00 N ATOM 419 CA ARG A 737 2.905 -2.842 -4.019 1.00 0.00 C ATOM 420 C ARG A 737 3.644 -1.765 -3.230 1.00 0.00 C ATOM 421 O ARG A 737 3.093 -0.701 -2.947 1.00 0.00 O ATOM 422 CB ARG A 737 2.147 -2.206 -5.185 1.00 0.00 C ATOM 423 CG ARG A 737 2.938 -2.181 -6.483 1.00 0.00 C ATOM 424 CD ARG A 737 2.021 -2.238 -7.695 1.00 0.00 C ATOM 425 NE ARG A 737 2.666 -2.877 -8.839 1.00 0.00 N ATOM 426 CZ ARG A 737 2.004 -3.364 -9.886 1.00 0.00 C ATOM 427 NH1 ARG A 737 0.681 -3.289 -9.937 1.00 0.00 N ATOM 428 NH2 ARG A 737 2.668 -3.929 -10.885 1.00 0.00 N ATOM 0 H ARG A 737 2.179 -4.576 -3.089 1.00 0.00 H new ATOM 0 HA ARG A 737 3.637 -3.547 -4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 737 1.218 -2.753 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 737 1.873 -1.186 -4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 737 3.542 -1.275 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 737 3.627 -3.025 -6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 737 1.114 -2.785 -7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 737 1.717 -1.227 -7.968 1.00 0.00 H new ATOM 0 HE ARG A 737 3.683 -2.955 -8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 737 0.165 -2.856 -9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 737 0.180 -3.664 -10.742 1.00 0.00 H new ATOM 0 HH21 ARG A 737 3.686 -3.990 -10.851 1.00 0.00 H new ATOM 0 HH22 ARG A 737 2.161 -4.302 -11.688 1.00 0.00 H new ATOM 442 N ASP A 738 4.893 -2.049 -2.879 1.00 0.00 N ATOM 443 CA ASP A 738 5.708 -1.104 -2.124 1.00 0.00 C ATOM 444 C ASP A 738 7.100 -0.974 -2.736 1.00 0.00 C ATOM 445 O ASP A 738 8.092 -0.830 -2.022 1.00 0.00 O ATOM 446 CB ASP A 738 5.821 -1.550 -0.664 1.00 0.00 C ATOM 447 CG ASP A 738 4.686 -1.020 0.191 1.00 0.00 C ATOM 448 OD1 ASP A 738 4.225 0.110 -0.070 1.00 0.00 O ATOM 449 OD2 ASP A 738 4.259 -1.736 1.121 1.00 0.00 O ATOM 0 H ASP A 738 5.363 -2.925 -3.105 1.00 0.00 H new ATOM 0 HA ASP A 738 5.221 -0.130 -2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 738 5.828 -2.639 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 738 6.771 -1.208 -0.255 1.00 0.00 H new ATOM 454 N ASP A 739 7.164 -1.023 -4.063 1.00 0.00 N ATOM 455 CA ASP A 739 8.433 -0.909 -4.771 1.00 0.00 C ATOM 456 C ASP A 739 9.109 0.424 -4.467 1.00 0.00 C ATOM 457 O ASP A 739 8.927 1.402 -5.191 1.00 0.00 O ATOM 458 CB ASP A 739 8.214 -1.051 -6.279 1.00 0.00 C ATOM 459 CG ASP A 739 8.092 -2.499 -6.712 1.00 0.00 C ATOM 460 OD1 ASP A 739 9.004 -3.292 -6.395 1.00 0.00 O ATOM 461 OD2 ASP A 739 7.086 -2.839 -7.369 1.00 0.00 O ATOM 0 H ASP A 739 6.352 -1.141 -4.669 1.00 0.00 H new ATOM 0 HA ASP A 739 9.085 -1.712 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 739 7.311 -0.512 -6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 739 9.044 -0.585 -6.809 1.00 0.00 H new ATOM 466 N ARG A 740 9.888 0.454 -3.391 1.00 0.00 N ATOM 467 CA ARG A 740 10.591 1.667 -2.990 1.00 0.00 C ATOM 468 C ARG A 740 11.833 1.331 -2.172 1.00 0.00 C ATOM 469 O ARG A 740 12.930 1.804 -2.468 1.00 0.00 O ATOM 470 CB ARG A 740 9.663 2.575 -2.181 1.00 0.00 C ATOM 471 CG ARG A 740 10.313 3.881 -1.751 1.00 0.00 C ATOM 472 CD ARG A 740 9.285 4.870 -1.228 1.00 0.00 C ATOM 473 NE ARG A 740 9.787 5.629 -0.085 1.00 0.00 N ATOM 474 CZ ARG A 740 9.835 5.154 1.157 1.00 0.00 C ATOM 475 NH1 ARG A 740 9.414 3.923 1.422 1.00 0.00 N ATOM 476 NH2 ARG A 740 10.307 5.912 2.138 1.00 0.00 N ATOM 0 H ARG A 740 10.048 -0.348 -2.781 1.00 0.00 H new ATOM 0 HA ARG A 740 10.904 2.191 -3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 740 8.777 2.798 -2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 740 9.325 2.038 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 740 11.054 3.682 -0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 740 10.844 4.320 -2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 740 9.006 5.558 -2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 740 8.381 4.334 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 740 10.120 6.579 -0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 740 9.051 3.335 0.671 1.00 0.00 H new ATOM 0 HH12 ARG A 740 9.453 3.565 2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 740 10.633 6.858 1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 740 10.344 5.549 3.090 1.00 0.00 H new ATOM 490 N LEU A 741 11.652 0.512 -1.141 1.00 0.00 N ATOM 491 CA LEU A 741 12.759 0.112 -0.279 1.00 0.00 C ATOM 492 C LEU A 741 13.810 -0.663 -1.066 1.00 0.00 C ATOM 493 O LEU A 741 15.001 -0.360 -0.997 1.00 0.00 O ATOM 494 CB LEU A 741 12.246 -0.739 0.885 1.00 0.00 C ATOM 495 CG LEU A 741 11.786 0.050 2.111 1.00 0.00 C ATOM 496 CD1 LEU A 741 10.500 0.802 1.811 1.00 0.00 C ATOM 497 CD2 LEU A 741 11.598 -0.879 3.301 1.00 0.00 C ATOM 0 H LEU A 741 10.750 0.112 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 741 13.222 1.016 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 741 11.414 -1.348 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 741 13.036 -1.425 1.189 1.00 0.00 H new ATOM 0 HG LEU A 741 12.557 0.778 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 741 10.189 1.357 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 741 10.668 1.496 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 741 9.720 0.093 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 741 11.270 -0.301 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 741 10.846 -1.631 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 741 12.543 -1.372 3.531 1.00 0.00 H new ATOM 509 N LEU A 742 13.361 -1.666 -1.815 1.00 0.00 N ATOM 510 CA LEU A 742 14.263 -2.484 -2.616 1.00 0.00 C ATOM 511 C LEU A 742 14.955 -1.645 -3.685 1.00 0.00 C ATOM 512 O LEU A 742 16.176 -1.685 -3.826 1.00 0.00 O ATOM 513 CB LEU A 742 13.496 -3.634 -3.271 1.00 0.00 C ATOM 514 CG LEU A 742 14.286 -4.935 -3.430 1.00 0.00 C ATOM 515 CD1 LEU A 742 15.551 -4.694 -4.239 1.00 0.00 C ATOM 516 CD2 LEU A 742 14.623 -5.522 -2.069 1.00 0.00 C ATOM 0 H LEU A 742 12.378 -1.931 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 742 15.025 -2.895 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 742 12.604 -3.839 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 742 13.158 -3.310 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 742 13.667 -5.652 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 742 16.101 -5.630 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 742 15.285 -4.318 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 742 16.175 -3.961 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 742 15.185 -6.447 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 742 15.224 -4.809 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 742 13.702 -5.731 -1.525 1.00 0.00 H new ATOM 528 N GLN A 743 14.166 -0.884 -4.435 1.00 0.00 N ATOM 529 CA GLN A 743 14.704 -0.033 -5.491 1.00 0.00 C ATOM 530 C GLN A 743 15.730 0.952 -4.935 1.00 0.00 C ATOM 531 O GLN A 743 16.582 1.454 -5.667 1.00 0.00 O ATOM 532 CB GLN A 743 13.575 0.726 -6.189 1.00 0.00 C ATOM 533 CG GLN A 743 12.971 -0.024 -7.365 1.00 0.00 C ATOM 534 CD GLN A 743 11.537 0.381 -7.642 1.00 0.00 C ATOM 535 OE1 GLN A 743 11.053 1.386 -7.121 1.00 0.00 O ATOM 536 NE2 GLN A 743 10.850 -0.401 -8.466 1.00 0.00 N ATOM 0 H GLN A 743 13.152 -0.839 -4.332 1.00 0.00 H new ATOM 0 HA GLN A 743 15.204 -0.674 -6.217 1.00 0.00 H new ATOM 0 HB2 GLN A 743 12.790 0.940 -5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 743 13.956 1.686 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 743 13.574 0.157 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 743 13.010 -1.095 -7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 743 11.292 -1.224 -8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.880 -0.179 -8.690 1.00 0.00 H new ATOM 545 N ALA A 744 15.640 1.228 -3.638 1.00 0.00 N ATOM 546 CA ALA A 744 16.562 2.152 -2.993 1.00 0.00 C ATOM 547 C ALA A 744 17.937 1.520 -2.806 1.00 0.00 C ATOM 548 O ALA A 744 18.958 2.206 -2.852 1.00 0.00 O ATOM 549 CB ALA A 744 16.001 2.605 -1.653 1.00 0.00 C ATOM 0 H ALA A 744 14.939 0.825 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 744 16.678 3.021 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 744 16.700 3.296 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 744 15.046 3.106 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 744 15.855 1.739 -1.008 1.00 0.00 H new ATOM 555 N LEU A 745 17.957 0.207 -2.587 1.00 0.00 N ATOM 556 CA LEU A 745 19.205 -0.513 -2.386 1.00 0.00 C ATOM 557 C LEU A 745 19.929 -0.758 -3.709 1.00 0.00 C ATOM 558 O LEU A 745 21.154 -0.664 -3.780 1.00 0.00 O ATOM 559 CB LEU A 745 18.945 -1.842 -1.661 1.00 0.00 C ATOM 560 CG LEU A 745 18.623 -3.038 -2.561 1.00 0.00 C ATOM 561 CD1 LEU A 745 19.903 -3.721 -3.018 1.00 0.00 C ATOM 562 CD2 LEU A 745 17.723 -4.024 -1.832 1.00 0.00 C ATOM 0 H LEU A 745 17.122 -0.377 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 745 19.851 0.107 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 745 19.823 -2.087 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 745 18.117 -1.700 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 745 18.094 -2.675 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 745 19.655 -4.569 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 745 20.514 -3.012 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 745 20.458 -4.072 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 745 17.504 -4.868 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 745 18.227 -4.382 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 745 16.792 -3.530 -1.553 1.00 0.00 H new ATOM 574 N MET A 746 19.169 -1.073 -4.754 1.00 0.00 N ATOM 575 CA MET A 746 19.753 -1.330 -6.066 1.00 0.00 C ATOM 576 C MET A 746 20.467 -0.093 -6.588 1.00 0.00 C ATOM 577 O MET A 746 21.496 -0.184 -7.254 1.00 0.00 O ATOM 578 CB MET A 746 18.674 -1.772 -7.055 1.00 0.00 C ATOM 579 CG MET A 746 17.693 -0.671 -7.423 1.00 0.00 C ATOM 580 SD MET A 746 16.620 -1.128 -8.799 1.00 0.00 S ATOM 581 CE MET A 746 15.706 -2.490 -8.079 1.00 0.00 C ATOM 0 H MET A 746 18.153 -1.156 -4.718 1.00 0.00 H new ATOM 0 HA MET A 746 20.483 -2.133 -5.962 1.00 0.00 H new ATOM 0 HB2 MET A 746 19.154 -2.137 -7.963 1.00 0.00 H new ATOM 0 HB3 MET A 746 18.123 -2.609 -6.627 1.00 0.00 H new ATOM 0 HG2 MET A 746 17.080 -0.430 -6.554 1.00 0.00 H new ATOM 0 HG3 MET A 746 18.246 0.231 -7.683 1.00 0.00 H new ATOM 0 HE1 MET A 746 16.000 -3.421 -8.563 1.00 0.00 H new ATOM 0 HE2 MET A 746 15.923 -2.551 -7.013 1.00 0.00 H new ATOM 0 HE3 MET A 746 14.638 -2.328 -8.223 1.00 0.00 H new ATOM 591 N ASP A 747 19.905 1.059 -6.276 1.00 0.00 N ATOM 592 CA ASP A 747 20.471 2.333 -6.702 1.00 0.00 C ATOM 593 C ASP A 747 21.847 2.555 -6.085 1.00 0.00 C ATOM 594 O ASP A 747 22.700 3.228 -6.664 1.00 0.00 O ATOM 595 CB ASP A 747 19.537 3.484 -6.324 1.00 0.00 C ATOM 596 CG ASP A 747 18.531 3.793 -7.415 1.00 0.00 C ATOM 597 OD1 ASP A 747 17.611 2.973 -7.625 1.00 0.00 O ATOM 598 OD2 ASP A 747 18.661 4.854 -8.061 1.00 0.00 O ATOM 0 H ASP A 747 19.051 1.143 -5.725 1.00 0.00 H new ATOM 0 HA ASP A 747 20.581 2.305 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 747 19.007 3.232 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 747 20.129 4.375 -6.116 1.00 0.00 H new ATOM 603 N ILE A 748 22.050 1.991 -4.903 1.00 0.00 N ATOM 604 CA ILE A 748 23.316 2.128 -4.192 1.00 0.00 C ATOM 605 C ILE A 748 24.463 1.478 -4.953 1.00 0.00 C ATOM 606 O ILE A 748 25.565 2.023 -5.024 1.00 0.00 O ATOM 607 CB ILE A 748 23.239 1.516 -2.780 1.00 0.00 C ATOM 608 CG1 ILE A 748 21.999 2.028 -2.042 1.00 0.00 C ATOM 609 CG2 ILE A 748 24.501 1.839 -1.992 1.00 0.00 C ATOM 610 CD1 ILE A 748 21.923 3.537 -1.961 1.00 0.00 C ATOM 0 H ILE A 748 21.352 1.432 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 748 23.508 3.198 -4.109 1.00 0.00 H new ATOM 0 HB ILE A 748 23.160 0.433 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 748 21.107 1.654 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 748 21.992 1.617 -1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 748 24.431 1.400 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 748 25.368 1.429 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 748 24.609 2.920 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 748 21.019 3.828 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 748 22.797 3.917 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 748 21.898 3.955 -2.968 1.00 0.00 H new ATOM 622 N LEU A 749 24.199 0.309 -5.512 1.00 0.00 N ATOM 623 CA LEU A 749 25.205 -0.425 -6.260 1.00 0.00 C ATOM 624 C LEU A 749 25.116 -0.136 -7.759 1.00 0.00 C ATOM 625 O LEU A 749 25.989 -0.539 -8.528 1.00 0.00 O ATOM 626 CB LEU A 749 25.073 -1.928 -6.002 1.00 0.00 C ATOM 627 CG LEU A 749 23.675 -2.515 -6.211 1.00 0.00 C ATOM 628 CD1 LEU A 749 23.309 -2.511 -7.684 1.00 0.00 C ATOM 629 CD2 LEU A 749 23.602 -3.926 -5.646 1.00 0.00 C ATOM 0 H LEU A 749 23.291 -0.154 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 749 26.182 -0.089 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 749 25.769 -2.453 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 749 25.383 -2.131 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 749 22.956 -1.892 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 749 22.312 -2.932 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 749 23.322 -1.488 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 749 24.030 -3.110 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 749 22.602 -4.329 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 749 24.331 -4.559 -6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 749 23.821 -3.902 -4.578 1.00 0.00 H new ATOM 641 N ASN A 750 24.061 0.561 -8.172 1.00 0.00 N ATOM 642 CA ASN A 750 23.871 0.895 -9.578 1.00 0.00 C ATOM 643 C ASN A 750 24.949 1.860 -10.060 1.00 0.00 C ATOM 644 O ASN A 750 25.329 1.847 -11.230 1.00 0.00 O ATOM 645 CB ASN A 750 22.485 1.504 -9.796 1.00 0.00 C ATOM 646 CG ASN A 750 21.747 0.863 -10.954 1.00 0.00 C ATOM 647 OD1 ASN A 750 21.428 1.522 -11.944 1.00 0.00 O ATOM 648 ND2 ASN A 750 21.471 -0.431 -10.836 1.00 0.00 N ATOM 0 H ASN A 750 23.326 0.904 -7.553 1.00 0.00 H new ATOM 0 HA ASN A 750 23.950 -0.024 -10.158 1.00 0.00 H new ATOM 0 HB2 ASN A 750 21.895 1.392 -8.886 1.00 0.00 H new ATOM 0 HB3 ASN A 750 22.586 2.573 -9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 750 20.976 -0.917 -11.584 1.00 0.00 H new ATOM 0 HD22 ASN A 750 21.754 -0.938 -9.998 1.00 0.00 H new ATOM 655 N GLU A 751 25.438 2.696 -9.150 1.00 0.00 N ATOM 656 CA GLU A 751 26.473 3.667 -9.482 1.00 0.00 C ATOM 657 C GLU A 751 26.932 4.419 -8.237 1.00 0.00 C ATOM 658 O GLU A 751 27.169 5.626 -8.281 1.00 0.00 O ATOM 659 CB GLU A 751 25.957 4.655 -10.530 1.00 0.00 C ATOM 660 CG GLU A 751 24.560 5.178 -10.237 1.00 0.00 C ATOM 661 CD GLU A 751 24.241 6.447 -11.003 1.00 0.00 C ATOM 662 OE1 GLU A 751 24.342 6.430 -12.248 1.00 0.00 O ATOM 663 OE2 GLU A 751 23.889 7.457 -10.358 1.00 0.00 O ATOM 0 H GLU A 751 25.134 2.720 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 751 27.326 3.127 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 751 26.646 5.498 -10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 751 25.957 4.170 -11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 751 23.828 4.411 -10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 751 24.464 5.369 -9.168 1.00 0.00 H new ATOM 670 N GLU A 752 27.056 3.697 -7.129 1.00 0.00 N ATOM 671 CA GLU A 752 27.485 4.293 -5.874 1.00 0.00 C ATOM 672 C GLU A 752 28.078 3.237 -4.945 1.00 0.00 C ATOM 673 O GLU A 752 27.549 2.977 -3.864 1.00 0.00 O ATOM 674 CB GLU A 752 26.310 4.994 -5.192 1.00 0.00 C ATOM 675 CG GLU A 752 25.875 6.270 -5.892 1.00 0.00 C ATOM 676 CD GLU A 752 24.822 7.034 -5.111 1.00 0.00 C ATOM 677 OE1 GLU A 752 24.117 6.405 -4.294 1.00 0.00 O ATOM 678 OE2 GLU A 752 24.702 8.259 -5.317 1.00 0.00 O ATOM 0 H GLU A 752 26.865 2.696 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 752 28.258 5.029 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 752 25.464 4.308 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 752 26.585 5.229 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 752 26.744 6.910 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 752 25.483 6.023 -6.879 1.00 0.00 H new ATOM 685 N ASN A 753 29.181 2.632 -5.374 1.00 0.00 N ATOM 686 CA ASN A 753 29.847 1.605 -4.581 1.00 0.00 C ATOM 687 C ASN A 753 31.294 1.994 -4.293 1.00 0.00 C ATOM 688 O ASN A 753 32.013 2.343 -5.252 1.00 0.00 O ATOM 689 CB ASN A 753 29.803 0.260 -5.309 1.00 0.00 C ATOM 690 CG ASN A 753 30.394 -0.864 -4.482 1.00 0.00 C ATOM 691 OD1 ASN A 753 31.445 -1.412 -4.819 1.00 0.00 O ATOM 692 ND2 ASN A 753 29.721 -1.216 -3.393 1.00 0.00 N ATOM 693 OXT ASN A 753 31.695 1.945 -3.111 1.00 0.00 O ATOM 0 H ASN A 753 29.632 2.835 -6.266 1.00 0.00 H new ATOM 0 HA ASN A 753 29.318 1.514 -3.632 1.00 0.00 H new ATOM 0 HB2 ASN A 753 28.770 0.019 -5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 753 30.348 0.341 -6.249 1.00 0.00 H new ATOM 0 HD21 ASN A 753 30.070 -1.967 -2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 753 28.855 -0.735 -3.151 1.00 0.00 H new TER 700 ASN A 753