USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 744 SER OG : rot 180:sc= -0.152 USER MOD Single : A 750 TYR OH : rot 165:sc= -0.363 USER MOD Single : A 758 THR OG1 : rot -83:sc= -0.876 USER MOD Single : A 760 SER OG : rot 170:sc= 0.238 USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 766 SER OG : rot 180:sc= 0 USER MOD Single : A 769 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 776 TYR OH : rot 180:sc= 0 USER MOD Single : A 777 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 782 MET CE :methyl -105:sc= -6.45! (180deg=-11.9!) USER MOD Single : A 786 MET CE :methyl 169:sc= -5.01 (180deg=-5.12!) USER MOD Single : A 788 MET CE :methyl 163:sc= 0 (180deg=-0.428) USER MOD Single : A 793 THR OG1 : rot 156:sc= -1.4 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -1.91 K(o=-1.9,f=-2.6) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.0833 K(o=-0.083,f=-0.77) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.664 -1.238 7.256 1.00 0.00 N ATOM 37 CA GLY A 743 7.616 -0.608 6.476 1.00 0.00 C ATOM 38 C GLY A 743 6.662 0.201 7.332 1.00 0.00 C ATOM 39 O GLY A 743 5.491 -0.150 7.471 1.00 0.00 O ATOM 0 HA2 GLY A 743 8.067 0.042 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 743 7.057 -1.374 5.939 1.00 0.00 H new ATOM 43 N SER A 744 7.164 1.288 7.907 1.00 0.00 N ATOM 44 CA SER A 744 6.349 2.151 8.753 1.00 0.00 C ATOM 45 C SER A 744 5.918 3.402 7.990 1.00 0.00 C ATOM 46 O SER A 744 5.894 3.408 6.758 1.00 0.00 O ATOM 47 CB SER A 744 7.121 2.532 10.019 1.00 0.00 C ATOM 48 OG SER A 744 7.970 3.643 9.787 1.00 0.00 O ATOM 0 H SER A 744 8.132 1.592 7.802 1.00 0.00 H new ATOM 0 HA SER A 744 5.452 1.604 9.044 1.00 0.00 H new ATOM 0 HB2 SER A 744 6.419 2.768 10.819 1.00 0.00 H new ATOM 0 HB3 SER A 744 7.714 1.682 10.356 1.00 0.00 H new ATOM 0 HG SER A 744 8.450 3.866 10.612 1.00 0.00 H new ATOM 54 N GLU A 745 5.574 4.460 8.721 1.00 0.00 N ATOM 55 CA GLU A 745 5.140 5.709 8.103 1.00 0.00 C ATOM 56 C GLU A 745 6.123 6.175 7.034 1.00 0.00 C ATOM 57 O GLU A 745 5.721 6.574 5.941 1.00 0.00 O ATOM 58 CB GLU A 745 4.970 6.798 9.162 1.00 0.00 C ATOM 59 CG GLU A 745 4.213 8.016 8.659 1.00 0.00 C ATOM 60 CD GLU A 745 3.087 8.429 9.586 1.00 0.00 C ATOM 61 OE1 GLU A 745 2.336 7.541 10.040 1.00 0.00 O ATOM 62 OE2 GLU A 745 2.957 9.641 9.860 1.00 0.00 O ATOM 0 H GLU A 745 5.588 4.477 9.741 1.00 0.00 H new ATOM 0 HA GLU A 745 4.180 5.521 7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.443 6.381 10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 745 5.954 7.110 9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.907 8.848 8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.805 7.803 7.671 1.00 0.00 H new ATOM 69 N ASP A 746 7.410 6.124 7.354 1.00 0.00 N ATOM 70 CA ASP A 746 8.443 6.545 6.411 1.00 0.00 C ATOM 71 C ASP A 746 9.513 5.470 6.243 1.00 0.00 C ATOM 72 O ASP A 746 10.463 5.392 7.022 1.00 0.00 O ATOM 73 CB ASP A 746 9.086 7.853 6.880 1.00 0.00 C ATOM 74 CG ASP A 746 8.336 9.075 6.389 1.00 0.00 C ATOM 75 OD1 ASP A 746 8.512 9.446 5.209 1.00 0.00 O ATOM 76 OD2 ASP A 746 7.572 9.661 7.184 1.00 0.00 O ATOM 0 H ASP A 746 7.764 5.798 8.253 1.00 0.00 H new ATOM 0 HA ASP A 746 7.967 6.704 5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.123 7.866 7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.116 7.896 6.526 1.00 0.00 H new ATOM 81 N ASP A 747 9.353 4.653 5.209 1.00 0.00 N ATOM 82 CA ASP A 747 10.301 3.586 4.909 1.00 0.00 C ATOM 83 C ASP A 747 10.858 3.750 3.497 1.00 0.00 C ATOM 84 O ASP A 747 10.132 4.144 2.583 1.00 0.00 O ATOM 85 CB ASP A 747 9.626 2.219 5.051 1.00 0.00 C ATOM 86 CG ASP A 747 10.578 1.068 4.796 1.00 0.00 C ATOM 87 OD1 ASP A 747 10.748 0.690 3.618 1.00 0.00 O ATOM 88 OD2 ASP A 747 11.153 0.545 5.773 1.00 0.00 O ATOM 0 H ASP A 747 8.569 4.710 4.559 1.00 0.00 H new ATOM 0 HA ASP A 747 11.125 3.647 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.210 2.126 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.791 2.156 4.353 1.00 0.00 H new ATOM 93 N PRO A 748 12.156 3.452 3.296 1.00 0.00 N ATOM 94 CA PRO A 748 12.815 3.566 1.993 1.00 0.00 C ATOM 95 C PRO A 748 11.916 3.216 0.810 1.00 0.00 C ATOM 96 O PRO A 748 12.088 3.753 -0.284 1.00 0.00 O ATOM 97 CB PRO A 748 13.946 2.552 2.116 1.00 0.00 C ATOM 98 CG PRO A 748 14.343 2.617 3.553 1.00 0.00 C ATOM 99 CD PRO A 748 13.099 2.978 4.332 1.00 0.00 C ATOM 0 HA PRO A 748 13.127 4.590 1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.615 1.551 1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.780 2.804 1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.745 1.660 3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.124 3.361 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.701 2.118 4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.302 3.752 5.072 1.00 0.00 H new ATOM 107 N LEU A 749 10.970 2.307 1.019 1.00 0.00 N ATOM 108 CA LEU A 749 10.078 1.897 -0.056 1.00 0.00 C ATOM 109 C LEU A 749 8.608 2.174 0.264 1.00 0.00 C ATOM 110 O LEU A 749 7.771 2.190 -0.639 1.00 0.00 O ATOM 111 CB LEU A 749 10.283 0.414 -0.359 1.00 0.00 C ATOM 112 CG LEU A 749 11.649 0.066 -0.950 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.934 -1.422 -0.813 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.715 0.494 -2.407 1.00 0.00 C ATOM 0 H LEU A 749 10.803 1.845 1.913 1.00 0.00 H new ATOM 0 HA LEU A 749 10.329 2.492 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.145 -0.153 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.508 0.088 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 749 12.414 0.607 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.911 -1.646 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.927 -1.698 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.168 -1.989 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.693 0.241 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.940 -0.022 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.560 1.571 -2.477 1.00 0.00 H new ATOM 126 N TYR A 750 8.283 2.404 1.536 1.00 0.00 N ATOM 127 CA TYR A 750 6.895 2.680 1.908 1.00 0.00 C ATOM 128 C TYR A 750 6.344 3.832 1.087 1.00 0.00 C ATOM 129 O TYR A 750 5.257 3.740 0.534 1.00 0.00 O ATOM 130 CB TYR A 750 6.761 2.998 3.394 1.00 0.00 C ATOM 131 CG TYR A 750 5.356 3.386 3.808 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.437 2.419 4.192 1.00 0.00 C ATOM 133 CD2 TYR A 750 4.953 4.718 3.830 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.158 2.764 4.584 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.679 5.071 4.228 1.00 0.00 C ATOM 136 CZ TYR A 750 2.786 4.090 4.602 1.00 0.00 C ATOM 137 OH TYR A 750 1.516 4.438 5.001 1.00 0.00 O ATOM 0 H TYR A 750 8.945 2.405 2.312 1.00 0.00 H new ATOM 0 HA TYR A 750 6.319 1.778 1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.074 2.129 3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.442 3.811 3.646 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.727 1.379 4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.648 5.488 3.531 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.454 1.998 4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.384 6.110 4.246 1.00 0.00 H new ATOM 0 HH TYR A 750 1.484 5.399 5.188 1.00 0.00 H new ATOM 147 N ASP A 751 7.106 4.916 1.001 1.00 0.00 N ATOM 148 CA ASP A 751 6.679 6.075 0.230 1.00 0.00 C ATOM 149 C ASP A 751 6.317 5.646 -1.187 1.00 0.00 C ATOM 150 O ASP A 751 5.379 6.171 -1.787 1.00 0.00 O ATOM 151 CB ASP A 751 7.783 7.133 0.196 1.00 0.00 C ATOM 152 CG ASP A 751 7.320 8.428 -0.443 1.00 0.00 C ATOM 153 OD1 ASP A 751 6.204 8.886 -0.118 1.00 0.00 O ATOM 154 OD2 ASP A 751 8.073 8.985 -1.269 1.00 0.00 O ATOM 0 H ASP A 751 8.015 5.016 1.452 1.00 0.00 H new ATOM 0 HA ASP A 751 5.801 6.511 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 751 8.123 7.333 1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.639 6.744 -0.356 1.00 0.00 H new ATOM 159 N GLU A 752 7.060 4.671 -1.706 1.00 0.00 N ATOM 160 CA GLU A 752 6.809 4.150 -3.040 1.00 0.00 C ATOM 161 C GLU A 752 5.517 3.340 -3.054 1.00 0.00 C ATOM 162 O GLU A 752 4.718 3.436 -3.985 1.00 0.00 O ATOM 163 CB GLU A 752 7.986 3.295 -3.511 1.00 0.00 C ATOM 164 CG GLU A 752 9.177 4.112 -3.983 1.00 0.00 C ATOM 165 CD GLU A 752 9.940 3.440 -5.108 1.00 0.00 C ATOM 166 OE1 GLU A 752 10.484 2.338 -4.882 1.00 0.00 O ATOM 167 OE2 GLU A 752 9.994 4.017 -6.214 1.00 0.00 O ATOM 0 H GLU A 752 7.840 4.228 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 752 6.700 4.989 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.302 2.645 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.654 2.649 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.831 5.090 -4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 752 9.851 4.282 -3.143 1.00 0.00 H new ATOM 174 N ALA A 753 5.316 2.553 -2.000 1.00 0.00 N ATOM 175 CA ALA A 753 4.116 1.737 -1.871 1.00 0.00 C ATOM 176 C ALA A 753 2.889 2.626 -1.760 1.00 0.00 C ATOM 177 O ALA A 753 1.927 2.475 -2.509 1.00 0.00 O ATOM 178 CB ALA A 753 4.221 0.823 -0.659 1.00 0.00 C ATOM 0 H ALA A 753 5.971 2.464 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 753 4.019 1.116 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.316 0.221 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.084 0.167 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.338 1.425 0.242 1.00 0.00 H new ATOM 184 N VAL A 754 2.942 3.567 -0.825 1.00 0.00 N ATOM 185 CA VAL A 754 1.851 4.505 -0.614 1.00 0.00 C ATOM 186 C VAL A 754 1.545 5.248 -1.908 1.00 0.00 C ATOM 187 O VAL A 754 0.384 5.462 -2.256 1.00 0.00 O ATOM 188 CB VAL A 754 2.210 5.500 0.510 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.437 6.803 0.389 1.00 0.00 C ATOM 190 CG2 VAL A 754 1.963 4.858 1.862 1.00 0.00 C ATOM 0 H VAL A 754 3.736 3.699 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 754 0.962 3.951 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 754 3.267 5.746 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.722 7.472 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.666 7.274 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.368 6.598 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.218 5.564 2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 754 0.912 4.582 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.581 3.966 1.960 1.00 0.00 H new ATOM 200 N ARG A 755 2.598 5.612 -2.632 1.00 0.00 N ATOM 201 CA ARG A 755 2.446 6.298 -3.903 1.00 0.00 C ATOM 202 C ARG A 755 1.844 5.342 -4.924 1.00 0.00 C ATOM 203 O ARG A 755 1.054 5.737 -5.781 1.00 0.00 O ATOM 204 CB ARG A 755 3.799 6.811 -4.399 1.00 0.00 C ATOM 205 CG ARG A 755 3.686 7.890 -5.463 1.00 0.00 C ATOM 206 CD ARG A 755 4.935 7.956 -6.330 1.00 0.00 C ATOM 207 NE ARG A 755 5.493 9.305 -6.385 1.00 0.00 N ATOM 208 CZ ARG A 755 6.321 9.728 -7.338 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.688 8.914 -8.319 1.00 0.00 N ATOM 210 NH2 ARG A 755 6.781 10.971 -7.312 1.00 0.00 N ATOM 0 H ARG A 755 3.565 5.442 -2.357 1.00 0.00 H new ATOM 0 HA ARG A 755 1.783 7.152 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.362 7.204 -3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.371 5.974 -4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 755 2.817 7.693 -6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 755 3.522 8.856 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 755 5.685 7.269 -5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 755 4.694 7.622 -7.339 1.00 0.00 H new ATOM 0 HE ARG A 755 5.233 9.962 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 755 6.336 7.957 -8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.323 9.245 -9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 755 6.501 11.603 -6.562 1.00 0.00 H new ATOM 0 HH22 ARG A 755 7.415 11.295 -8.042 1.00 0.00 H new ATOM 224 N PHE A 756 2.231 4.074 -4.811 1.00 0.00 N ATOM 225 CA PHE A 756 1.748 3.030 -5.703 1.00 0.00 C ATOM 226 C PHE A 756 0.253 2.773 -5.486 1.00 0.00 C ATOM 227 O PHE A 756 -0.511 2.680 -6.446 1.00 0.00 O ATOM 228 CB PHE A 756 2.561 1.748 -5.476 1.00 0.00 C ATOM 229 CG PHE A 756 1.813 0.482 -5.784 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.054 -0.140 -4.808 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.867 -0.082 -7.047 1.00 0.00 C ATOM 232 CE1 PHE A 756 0.360 -1.299 -5.087 1.00 0.00 C ATOM 233 CE2 PHE A 756 1.175 -1.241 -7.329 1.00 0.00 C ATOM 234 CZ PHE A 756 0.421 -1.849 -6.348 1.00 0.00 C ATOM 0 H PHE A 756 2.885 3.745 -4.101 1.00 0.00 H new ATOM 0 HA PHE A 756 1.879 3.357 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.458 1.786 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 756 2.890 1.719 -4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 756 1.005 0.287 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 756 2.457 0.390 -7.819 1.00 0.00 H new ATOM 0 HE1 PHE A 756 -0.230 -1.774 -4.318 1.00 0.00 H new ATOM 0 HE2 PHE A 756 1.224 -1.672 -8.318 1.00 0.00 H new ATOM 0 HZ PHE A 756 -0.122 -2.756 -6.568 1.00 0.00 H new ATOM 244 N VAL A 757 -0.158 2.661 -4.224 1.00 0.00 N ATOM 245 CA VAL A 757 -1.557 2.420 -3.898 1.00 0.00 C ATOM 246 C VAL A 757 -2.399 3.656 -4.186 1.00 0.00 C ATOM 247 O VAL A 757 -3.509 3.556 -4.706 1.00 0.00 O ATOM 248 CB VAL A 757 -1.729 2.024 -2.420 1.00 0.00 C ATOM 249 CG1 VAL A 757 -3.181 1.678 -2.121 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.813 0.860 -2.074 1.00 0.00 C ATOM 0 H VAL A 757 0.458 2.733 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.896 1.595 -4.525 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.451 2.876 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -3.280 1.401 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.811 2.542 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.492 0.842 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.946 0.591 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -1.059 0.004 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.224 1.149 -2.246 1.00 0.00 H new ATOM 260 N THR A 758 -1.860 4.821 -3.846 1.00 0.00 N ATOM 261 CA THR A 758 -2.559 6.076 -4.072 1.00 0.00 C ATOM 262 C THR A 758 -2.801 6.294 -5.563 1.00 0.00 C ATOM 263 O THR A 758 -3.879 6.727 -5.972 1.00 0.00 O ATOM 264 CB THR A 758 -1.749 7.238 -3.499 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.398 7.158 -3.913 1.00 0.00 O ATOM 266 CG2 THR A 758 -1.764 7.289 -1.986 1.00 0.00 C ATOM 0 H THR A 758 -0.942 4.921 -3.413 1.00 0.00 H new ATOM 0 HA THR A 758 -3.524 6.030 -3.567 1.00 0.00 H new ATOM 0 HB THR A 758 -2.226 8.140 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 758 0.087 6.538 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.170 8.137 -1.645 1.00 0.00 H new ATOM 0 HG22 THR A 758 -2.790 7.400 -1.636 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.342 6.367 -1.587 1.00 0.00 H new ATOM 274 N GLU A 759 -1.789 5.988 -6.369 1.00 0.00 N ATOM 275 CA GLU A 759 -1.886 6.147 -7.815 1.00 0.00 C ATOM 276 C GLU A 759 -2.698 5.012 -8.434 1.00 0.00 C ATOM 277 O GLU A 759 -3.589 5.246 -9.249 1.00 0.00 O ATOM 278 CB GLU A 759 -0.489 6.190 -8.437 1.00 0.00 C ATOM 279 CG GLU A 759 0.191 7.543 -8.309 1.00 0.00 C ATOM 280 CD GLU A 759 1.403 7.675 -9.210 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.355 7.161 -10.348 1.00 0.00 O ATOM 282 OE2 GLU A 759 2.399 8.293 -8.778 1.00 0.00 O ATOM 0 H GLU A 759 -0.892 5.628 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.397 7.088 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 759 0.135 5.433 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.562 5.927 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -0.524 8.329 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 759 0.495 7.696 -7.273 1.00 0.00 H new ATOM 289 N SER A 760 -2.387 3.782 -8.035 1.00 0.00 N ATOM 290 CA SER A 760 -3.092 2.611 -8.546 1.00 0.00 C ATOM 291 C SER A 760 -4.515 2.552 -7.994 1.00 0.00 C ATOM 292 O SER A 760 -5.374 1.860 -8.537 1.00 0.00 O ATOM 293 CB SER A 760 -2.333 1.330 -8.175 1.00 0.00 C ATOM 294 OG SER A 760 -2.702 0.870 -6.885 1.00 0.00 O ATOM 0 H SER A 760 -1.652 3.571 -7.360 1.00 0.00 H new ATOM 0 HA SER A 760 -3.145 2.692 -9.632 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.540 0.555 -8.913 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.260 1.519 -8.203 1.00 0.00 H new ATOM 0 HG SER A 760 -2.331 -0.025 -6.738 1.00 0.00 H new ATOM 300 N ARG A 761 -4.753 3.281 -6.907 1.00 0.00 N ATOM 301 CA ARG A 761 -6.066 3.308 -6.274 1.00 0.00 C ATOM 302 C ARG A 761 -6.422 1.936 -5.707 1.00 0.00 C ATOM 303 O ARG A 761 -7.589 1.646 -5.445 1.00 0.00 O ATOM 304 CB ARG A 761 -7.135 3.759 -7.274 1.00 0.00 C ATOM 305 CG ARG A 761 -7.507 5.227 -7.144 1.00 0.00 C ATOM 306 CD ARG A 761 -6.299 6.127 -7.352 1.00 0.00 C ATOM 307 NE ARG A 761 -6.333 6.800 -8.651 1.00 0.00 N ATOM 308 CZ ARG A 761 -6.711 8.065 -8.829 1.00 0.00 C ATOM 309 NH1 ARG A 761 -7.097 8.809 -7.799 1.00 0.00 N ATOM 310 NH2 ARG A 761 -6.705 8.589 -10.048 1.00 0.00 N ATOM 0 H ARG A 761 -4.052 3.861 -6.446 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.031 4.023 -5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -6.776 3.572 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.030 3.152 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -8.277 5.475 -7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -7.933 5.410 -6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -6.262 6.873 -6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -5.388 5.534 -7.275 1.00 0.00 H new ATOM 0 HE ARG A 761 -6.049 6.266 -9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -7.106 8.413 -6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -7.384 9.776 -7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -6.412 8.024 -10.845 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -6.994 9.557 -10.188 1.00 0.00 H new ATOM 324 N ARG A 762 -5.406 1.096 -5.522 1.00 0.00 N ATOM 325 CA ARG A 762 -5.608 -0.245 -4.989 1.00 0.00 C ATOM 326 C ARG A 762 -4.502 -0.607 -4.004 1.00 0.00 C ATOM 327 O ARG A 762 -3.349 -0.215 -4.183 1.00 0.00 O ATOM 328 CB ARG A 762 -5.637 -1.272 -6.122 1.00 0.00 C ATOM 329 CG ARG A 762 -6.478 -0.852 -7.315 1.00 0.00 C ATOM 330 CD ARG A 762 -5.953 -1.456 -8.608 1.00 0.00 C ATOM 331 NE ARG A 762 -5.029 -0.556 -9.297 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.995 -0.392 -10.620 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.815 -1.078 -11.408 1.00 0.00 N ATOM 334 NH2 ARG A 762 -4.131 0.459 -11.160 1.00 0.00 N ATOM 0 H ARG A 762 -4.434 1.323 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.565 -0.258 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -4.616 -1.457 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -6.021 -2.215 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -7.511 -1.163 -7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -6.481 0.235 -7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -5.448 -2.397 -8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.790 -1.689 -9.266 1.00 0.00 H new ATOM 0 HE ARG A 762 -4.370 -0.021 -8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.479 -1.738 -11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.781 -0.945 -12.419 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -3.494 0.987 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -4.104 0.585 -12.172 1.00 0.00 H new ATOM 348 N ALA A 763 -4.854 -1.366 -2.973 1.00 0.00 N ATOM 349 CA ALA A 763 -3.881 -1.786 -1.978 1.00 0.00 C ATOM 350 C ALA A 763 -3.742 -3.301 -1.963 1.00 0.00 C ATOM 351 O ALA A 763 -4.425 -3.996 -1.215 1.00 0.00 O ATOM 352 CB ALA A 763 -4.283 -1.279 -0.600 1.00 0.00 C ATOM 0 H ALA A 763 -5.803 -1.701 -2.806 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.915 -1.357 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.546 -1.601 0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.332 -0.190 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -5.260 -1.683 -0.335 1.00 0.00 H new ATOM 358 N SER A 764 -2.832 -3.806 -2.781 1.00 0.00 N ATOM 359 CA SER A 764 -2.578 -5.235 -2.853 1.00 0.00 C ATOM 360 C SER A 764 -1.090 -5.478 -2.732 1.00 0.00 C ATOM 361 O SER A 764 -0.312 -5.008 -3.550 1.00 0.00 O ATOM 362 CB SER A 764 -3.104 -5.810 -4.171 1.00 0.00 C ATOM 363 OG SER A 764 -4.477 -5.508 -4.346 1.00 0.00 O ATOM 0 H SER A 764 -2.255 -3.244 -3.407 1.00 0.00 H new ATOM 0 HA SER A 764 -3.098 -5.735 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.530 -5.404 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 764 -2.962 -6.891 -4.183 1.00 0.00 H new ATOM 0 HG SER A 764 -4.789 -5.884 -5.195 1.00 0.00 H new ATOM 369 N ILE A 765 -0.699 -6.199 -1.697 1.00 0.00 N ATOM 370 CA ILE A 765 0.708 -6.479 -1.457 1.00 0.00 C ATOM 371 C ILE A 765 1.388 -7.055 -2.696 1.00 0.00 C ATOM 372 O ILE A 765 2.469 -6.613 -3.081 1.00 0.00 O ATOM 373 CB ILE A 765 0.905 -7.442 -0.278 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.038 -7.028 0.917 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.370 -7.469 0.112 1.00 0.00 C ATOM 376 CD1 ILE A 765 -0.217 -8.152 1.898 1.00 0.00 C ATOM 0 H ILE A 765 -1.334 -6.602 -1.008 1.00 0.00 H new ATOM 0 HA ILE A 765 1.171 -5.523 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 765 0.595 -8.442 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.524 -6.204 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.918 -6.654 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.511 -8.153 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 765 2.966 -7.806 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.687 -6.468 0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.837 -7.787 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.731 -8.968 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 765 0.733 -8.512 2.294 1.00 0.00 H new ATOM 388 N SER A 766 0.749 -8.037 -3.318 1.00 0.00 N ATOM 389 CA SER A 766 1.298 -8.662 -4.516 1.00 0.00 C ATOM 390 C SER A 766 1.493 -7.627 -5.619 1.00 0.00 C ATOM 391 O SER A 766 2.475 -7.666 -6.364 1.00 0.00 O ATOM 392 CB SER A 766 0.373 -9.780 -4.997 1.00 0.00 C ATOM 393 OG SER A 766 0.760 -10.250 -6.278 1.00 0.00 O ATOM 0 H SER A 766 -0.147 -8.418 -3.015 1.00 0.00 H new ATOM 0 HA SER A 766 2.270 -9.090 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.392 -10.604 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.653 -9.415 -5.035 1.00 0.00 H new ATOM 0 HG SER A 766 0.153 -10.965 -6.561 1.00 0.00 H new ATOM 399 N ALA A 767 0.559 -6.692 -5.710 1.00 0.00 N ATOM 400 CA ALA A 767 0.636 -5.639 -6.712 1.00 0.00 C ATOM 401 C ALA A 767 1.721 -4.633 -6.338 1.00 0.00 C ATOM 402 O ALA A 767 2.500 -4.201 -7.188 1.00 0.00 O ATOM 403 CB ALA A 767 -0.716 -4.961 -6.867 1.00 0.00 C ATOM 0 H ALA A 767 -0.260 -6.641 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 767 0.903 -6.080 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.645 -4.175 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.458 -5.696 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -1.016 -4.525 -5.914 1.00 0.00 H new ATOM 409 N VAL A 768 1.781 -4.284 -5.054 1.00 0.00 N ATOM 410 CA VAL A 768 2.788 -3.355 -4.559 1.00 0.00 C ATOM 411 C VAL A 768 4.175 -3.905 -4.825 1.00 0.00 C ATOM 412 O VAL A 768 5.029 -3.219 -5.370 1.00 0.00 O ATOM 413 CB VAL A 768 2.669 -3.107 -3.039 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.637 -2.022 -2.597 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.253 -2.738 -2.646 1.00 0.00 C ATOM 0 H VAL A 768 1.142 -4.632 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 768 2.624 -2.414 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 768 2.926 -4.037 -2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.538 -1.862 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.657 -2.330 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.411 -1.095 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.206 -2.571 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 768 0.956 -1.828 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.577 -3.549 -2.917 1.00 0.00 H new ATOM 425 N GLN A 769 4.394 -5.152 -4.425 1.00 0.00 N ATOM 426 CA GLN A 769 5.686 -5.783 -4.619 1.00 0.00 C ATOM 427 C GLN A 769 6.000 -5.920 -6.098 1.00 0.00 C ATOM 428 O GLN A 769 7.158 -5.826 -6.505 1.00 0.00 O ATOM 429 CB GLN A 769 5.741 -7.150 -3.928 1.00 0.00 C ATOM 430 CG GLN A 769 4.675 -8.120 -4.405 1.00 0.00 C ATOM 431 CD GLN A 769 5.254 -9.429 -4.905 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.722 -10.260 -3.982 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 5.280 -9.690 -6.108 1.00 0.00 N flip ATOM 0 H GLN A 769 3.697 -5.740 -3.968 1.00 0.00 H new ATOM 0 HA GLN A 769 6.443 -5.144 -4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.723 -7.592 -4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.635 -7.008 -2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 769 3.983 -8.323 -3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.098 -7.654 -5.204 1.00 0.00 H new ATOM 0 HE21 GLN A 769 4.909 -9.021 -6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 769 5.673 -10.575 -6.430 1.00 0.00 H new ATOM 442 N ARG A 770 4.962 -6.134 -6.896 1.00 0.00 N ATOM 443 CA ARG A 770 5.127 -6.275 -8.334 1.00 0.00 C ATOM 444 C ARG A 770 5.583 -4.960 -8.968 1.00 0.00 C ATOM 445 O ARG A 770 6.471 -4.950 -9.819 1.00 0.00 O ATOM 446 CB ARG A 770 3.815 -6.746 -8.965 1.00 0.00 C ATOM 447 CG ARG A 770 3.802 -8.228 -9.298 1.00 0.00 C ATOM 448 CD ARG A 770 2.979 -8.513 -10.543 1.00 0.00 C ATOM 449 NE ARG A 770 2.988 -9.931 -10.894 1.00 0.00 N ATOM 450 CZ ARG A 770 2.677 -10.399 -12.101 1.00 0.00 C ATOM 451 NH1 ARG A 770 2.331 -9.565 -13.074 1.00 0.00 N ATOM 452 NH2 ARG A 770 2.711 -11.704 -12.335 1.00 0.00 N ATOM 0 H ARG A 770 3.998 -6.213 -6.571 1.00 0.00 H new ATOM 0 HA ARG A 770 5.900 -7.021 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 770 2.994 -6.528 -8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.633 -6.175 -9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 770 4.824 -8.577 -9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 770 3.395 -8.787 -8.456 1.00 0.00 H new ATOM 0 HD2 ARG A 770 1.952 -8.187 -10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.371 -7.931 -11.377 1.00 0.00 H new ATOM 0 HE ARG A 770 3.248 -10.602 -10.171 1.00 0.00 H new ATOM 0 HH11 ARG A 770 2.303 -8.561 -12.899 1.00 0.00 H new ATOM 0 HH12 ARG A 770 2.094 -9.929 -13.997 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.975 -12.349 -11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 770 2.473 -12.063 -13.260 1.00 0.00 H new ATOM 466 N LYS A 771 4.967 -3.853 -8.554 1.00 0.00 N ATOM 467 CA LYS A 771 5.315 -2.539 -9.094 1.00 0.00 C ATOM 468 C LYS A 771 6.595 -1.991 -8.470 1.00 0.00 C ATOM 469 O LYS A 771 7.441 -1.423 -9.161 1.00 0.00 O ATOM 470 CB LYS A 771 4.171 -1.545 -8.878 1.00 0.00 C ATOM 471 CG LYS A 771 4.126 -0.456 -9.947 1.00 0.00 C ATOM 472 CD LYS A 771 2.716 0.045 -10.247 1.00 0.00 C ATOM 473 CE LYS A 771 1.742 -1.084 -10.542 1.00 0.00 C ATOM 474 NZ LYS A 771 1.619 -1.349 -12.002 1.00 0.00 N ATOM 0 H LYS A 771 4.229 -3.839 -7.850 1.00 0.00 H new ATOM 0 HA LYS A 771 5.485 -2.667 -10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.223 -2.084 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.278 -1.081 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 771 4.741 0.384 -9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 771 4.569 -0.841 -10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 771 2.351 0.621 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 771 2.750 0.722 -11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 771 2.074 -1.990 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 771 0.762 -0.833 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 0.945 -2.126 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 1.277 -0.492 -12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 2.548 -1.614 -12.386 1.00 0.00 H new ATOM 488 N LEU A 772 6.724 -2.158 -7.163 1.00 0.00 N ATOM 489 CA LEU A 772 7.898 -1.672 -6.440 1.00 0.00 C ATOM 490 C LEU A 772 9.075 -2.632 -6.561 1.00 0.00 C ATOM 491 O LEU A 772 10.193 -2.303 -6.165 1.00 0.00 O ATOM 492 CB LEU A 772 7.571 -1.456 -4.958 1.00 0.00 C ATOM 493 CG LEU A 772 7.402 0.007 -4.537 1.00 0.00 C ATOM 494 CD1 LEU A 772 5.937 0.335 -4.306 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.214 0.301 -3.282 1.00 0.00 C ATOM 0 H LEU A 772 6.032 -2.626 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 772 8.180 -0.722 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.653 -1.994 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.365 -1.901 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 772 7.772 0.637 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.841 1.379 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.377 0.167 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.541 -0.305 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.081 1.345 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.874 -0.341 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.269 0.110 -3.478 1.00 0.00 H new ATOM 507 N LYS A 773 8.826 -3.827 -7.088 1.00 0.00 N ATOM 508 CA LYS A 773 9.881 -4.819 -7.224 1.00 0.00 C ATOM 509 C LYS A 773 10.451 -5.153 -5.853 1.00 0.00 C ATOM 510 O LYS A 773 11.661 -5.303 -5.685 1.00 0.00 O ATOM 511 CB LYS A 773 10.988 -4.300 -8.145 1.00 0.00 C ATOM 512 CG LYS A 773 10.553 -4.153 -9.594 1.00 0.00 C ATOM 513 CD LYS A 773 11.747 -4.004 -10.522 1.00 0.00 C ATOM 514 CE LYS A 773 12.363 -2.619 -10.418 1.00 0.00 C ATOM 515 NZ LYS A 773 11.640 -1.624 -11.258 1.00 0.00 N ATOM 0 H LYS A 773 7.911 -4.128 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 773 9.461 -5.722 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.332 -3.333 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 773 11.838 -4.980 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 773 9.968 -5.024 -9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.903 -3.284 -9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 773 12.497 -4.756 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.436 -4.189 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 773 12.350 -2.293 -9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 773 13.408 -2.663 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 12.092 -0.692 -11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 11.674 -1.921 -12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 10.649 -1.563 -10.948 1.00 0.00 H new ATOM 529 N ILE A 774 9.560 -5.265 -4.872 1.00 0.00 N ATOM 530 CA ILE A 774 9.959 -5.577 -3.503 1.00 0.00 C ATOM 531 C ILE A 774 9.475 -6.967 -3.108 1.00 0.00 C ATOM 532 O ILE A 774 8.935 -7.704 -3.935 1.00 0.00 O ATOM 533 CB ILE A 774 9.405 -4.544 -2.494 1.00 0.00 C ATOM 534 CG1 ILE A 774 7.894 -4.406 -2.652 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.085 -3.200 -2.679 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.250 -3.446 -1.671 1.00 0.00 C ATOM 0 H ILE A 774 8.555 -5.144 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 774 11.048 -5.542 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 774 9.617 -4.898 -1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.675 -4.072 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.437 -5.388 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.682 -2.486 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.158 -3.310 -2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.904 -2.837 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.176 -3.407 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.434 -3.788 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.676 -2.451 -1.802 1.00 0.00 H new ATOM 548 N GLY A 775 9.667 -7.322 -1.844 1.00 0.00 N ATOM 549 CA GLY A 775 9.239 -8.623 -1.370 1.00 0.00 C ATOM 550 C GLY A 775 7.809 -8.607 -0.876 1.00 0.00 C ATOM 551 O GLY A 775 7.328 -7.585 -0.385 1.00 0.00 O ATOM 0 H GLY A 775 10.111 -6.733 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.336 -9.351 -2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 775 9.897 -8.949 -0.564 1.00 0.00 H new ATOM 555 N TYR A 776 7.122 -9.737 -1.002 1.00 0.00 N ATOM 556 CA TYR A 776 5.736 -9.835 -0.559 1.00 0.00 C ATOM 557 C TYR A 776 5.605 -9.404 0.898 1.00 0.00 C ATOM 558 O TYR A 776 4.696 -8.655 1.255 1.00 0.00 O ATOM 559 CB TYR A 776 5.220 -11.264 -0.727 1.00 0.00 C ATOM 560 CG TYR A 776 3.799 -11.448 -0.246 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.518 -11.567 1.108 1.00 0.00 C ATOM 562 CD2 TYR A 776 2.742 -11.495 -1.144 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.222 -11.729 1.555 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.441 -11.654 -0.704 1.00 0.00 C ATOM 565 CZ TYR A 776 1.187 -11.772 0.646 1.00 0.00 C ATOM 566 OH TYR A 776 -0.107 -11.932 1.088 1.00 0.00 O ATOM 0 H TYR A 776 7.500 -10.594 -1.405 1.00 0.00 H new ATOM 0 HA TYR A 776 5.135 -9.168 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.279 -11.543 -1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 776 5.872 -11.945 -0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.326 -11.532 1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 776 2.939 -11.406 -2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.020 -11.822 2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.628 -11.686 -1.414 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.716 -11.940 0.320 1.00 0.00 H new ATOM 576 N ASN A 777 6.524 -9.880 1.731 1.00 0.00 N ATOM 577 CA ASN A 777 6.514 -9.542 3.147 1.00 0.00 C ATOM 578 C ASN A 777 6.768 -8.052 3.347 1.00 0.00 C ATOM 579 O ASN A 777 6.047 -7.387 4.088 1.00 0.00 O ATOM 580 CB ASN A 777 7.571 -10.359 3.893 1.00 0.00 C ATOM 581 CG ASN A 777 7.315 -11.851 3.805 1.00 0.00 C ATOM 582 OD1 ASN A 777 6.184 -12.287 3.597 1.00 0.00 O ATOM 583 ND2 ASN A 777 8.370 -12.641 3.960 1.00 0.00 N ATOM 0 H ASN A 777 7.284 -10.500 1.450 1.00 0.00 H new ATOM 0 HA ASN A 777 5.530 -9.782 3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.556 -10.137 3.481 1.00 0.00 H new ATOM 0 HB3 ASN A 777 7.588 -10.057 4.940 1.00 0.00 H new ATOM 0 HD21 ASN A 777 8.261 -13.654 3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 777 9.290 -12.235 4.131 1.00 0.00 H new ATOM 590 N ARG A 778 7.793 -7.530 2.676 1.00 0.00 N ATOM 591 CA ARG A 778 8.135 -6.119 2.781 1.00 0.00 C ATOM 592 C ARG A 778 6.953 -5.245 2.376 1.00 0.00 C ATOM 593 O ARG A 778 6.566 -4.329 3.103 1.00 0.00 O ATOM 594 CB ARG A 778 9.351 -5.818 1.904 1.00 0.00 C ATOM 595 CG ARG A 778 9.624 -4.338 1.704 1.00 0.00 C ATOM 596 CD ARG A 778 10.882 -4.123 0.884 1.00 0.00 C ATOM 597 NE ARG A 778 11.759 -3.112 1.476 1.00 0.00 N ATOM 598 CZ ARG A 778 12.973 -3.367 1.963 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.467 -4.600 1.943 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.697 -2.381 2.472 1.00 0.00 N ATOM 0 H ARG A 778 8.399 -8.066 2.055 1.00 0.00 H new ATOM 0 HA ARG A 778 8.380 -5.892 3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.231 -6.281 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.206 -6.284 0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.775 -3.872 1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.729 -3.850 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.423 -5.065 0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.608 -3.818 -0.126 1.00 0.00 H new ATOM 0 HE ARG A 778 11.419 -2.151 1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.916 -5.364 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.398 -4.783 2.319 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.325 -1.432 2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.627 -2.571 2.846 1.00 0.00 H new ATOM 614 N ALA A 779 6.376 -5.543 1.220 1.00 0.00 N ATOM 615 CA ALA A 779 5.229 -4.794 0.728 1.00 0.00 C ATOM 616 C ALA A 779 4.090 -4.857 1.738 1.00 0.00 C ATOM 617 O ALA A 779 3.475 -3.844 2.058 1.00 0.00 O ATOM 618 CB ALA A 779 4.785 -5.334 -0.624 1.00 0.00 C ATOM 0 H ALA A 779 6.683 -6.297 0.606 1.00 0.00 H new ATOM 0 HA ALA A 779 5.517 -3.751 0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 779 3.926 -4.764 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.603 -5.242 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.507 -6.383 -0.523 1.00 0.00 H new ATOM 624 N ALA A 780 3.826 -6.060 2.245 1.00 0.00 N ATOM 625 CA ALA A 780 2.774 -6.272 3.231 1.00 0.00 C ATOM 626 C ALA A 780 2.990 -5.396 4.462 1.00 0.00 C ATOM 627 O ALA A 780 2.053 -4.779 4.965 1.00 0.00 O ATOM 628 CB ALA A 780 2.718 -7.740 3.628 1.00 0.00 C ATOM 0 H ALA A 780 4.332 -6.907 1.985 1.00 0.00 H new ATOM 0 HA ALA A 780 1.822 -5.990 2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.929 -7.888 4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.510 -8.347 2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.675 -8.038 4.057 1.00 0.00 H new ATOM 634 N ARG A 781 4.231 -5.338 4.939 1.00 0.00 N ATOM 635 CA ARG A 781 4.558 -4.525 6.104 1.00 0.00 C ATOM 636 C ARG A 781 4.202 -3.070 5.837 1.00 0.00 C ATOM 637 O ARG A 781 3.558 -2.415 6.657 1.00 0.00 O ATOM 638 CB ARG A 781 6.044 -4.652 6.445 1.00 0.00 C ATOM 639 CG ARG A 781 6.448 -6.054 6.872 1.00 0.00 C ATOM 640 CD ARG A 781 7.669 -6.036 7.777 1.00 0.00 C ATOM 641 NE ARG A 781 8.671 -7.013 7.354 1.00 0.00 N ATOM 642 CZ ARG A 781 9.556 -7.576 8.173 1.00 0.00 C ATOM 643 NH1 ARG A 781 9.584 -7.255 9.461 1.00 0.00 N ATOM 644 NH2 ARG A 781 10.423 -8.462 7.701 1.00 0.00 N ATOM 0 H ARG A 781 5.022 -5.842 4.538 1.00 0.00 H new ATOM 0 HA ARG A 781 3.977 -4.882 6.955 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.635 -4.360 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.287 -3.953 7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.617 -6.530 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.659 -6.657 5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 781 8.109 -5.039 7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 781 7.365 -6.247 8.802 1.00 0.00 H new ATOM 0 HE ARG A 781 8.693 -7.280 6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 781 8.923 -6.571 9.831 1.00 0.00 H new ATOM 0 HH12 ARG A 781 10.266 -7.692 10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 781 10.411 -8.711 6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 781 11.102 -8.895 8.327 1.00 0.00 H new ATOM 658 N MET A 782 4.601 -2.577 4.668 1.00 0.00 N ATOM 659 CA MET A 782 4.296 -1.207 4.282 1.00 0.00 C ATOM 660 C MET A 782 2.789 -1.044 4.149 1.00 0.00 C ATOM 661 O MET A 782 2.213 -0.053 4.594 1.00 0.00 O ATOM 662 CB MET A 782 4.984 -0.854 2.961 1.00 0.00 C ATOM 663 CG MET A 782 6.500 -0.802 3.064 1.00 0.00 C ATOM 664 SD MET A 782 7.320 -1.769 1.782 1.00 0.00 S ATOM 665 CE MET A 782 7.044 -0.728 0.353 1.00 0.00 C ATOM 0 H MET A 782 5.134 -3.104 3.976 1.00 0.00 H new ATOM 0 HA MET A 782 4.668 -0.530 5.051 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.704 -1.589 2.206 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.617 0.113 2.616 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.829 0.235 2.997 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.806 -1.171 4.043 1.00 0.00 H new ATOM 0 HE1 MET A 782 6.268 -1.168 -0.274 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.728 0.262 0.680 1.00 0.00 H new ATOM 0 HE3 MET A 782 7.968 -0.643 -0.219 1.00 0.00 H new ATOM 675 N ILE A 783 2.154 -2.045 3.553 1.00 0.00 N ATOM 676 CA ILE A 783 0.711 -2.045 3.377 1.00 0.00 C ATOM 677 C ILE A 783 0.032 -1.943 4.742 1.00 0.00 C ATOM 678 O ILE A 783 -0.976 -1.251 4.905 1.00 0.00 O ATOM 679 CB ILE A 783 0.260 -3.321 2.623 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.646 -3.222 1.140 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.233 -3.572 2.772 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.292 -2.356 0.313 1.00 0.00 C ATOM 0 H ILE A 783 2.621 -2.872 3.182 1.00 0.00 H new ATOM 0 HA ILE A 783 0.418 -1.184 2.776 1.00 0.00 H new ATOM 0 HB ILE A 783 0.776 -4.171 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.656 -2.820 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.669 -4.225 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.506 -4.476 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.478 -3.696 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.787 -2.724 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.048 -2.337 -0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.300 -2.768 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.297 -1.342 0.712 1.00 0.00 H new ATOM 694 N GLU A 784 0.623 -2.603 5.733 1.00 0.00 N ATOM 695 CA GLU A 784 0.107 -2.550 7.093 1.00 0.00 C ATOM 696 C GLU A 784 0.199 -1.115 7.587 1.00 0.00 C ATOM 697 O GLU A 784 -0.749 -0.561 8.152 1.00 0.00 O ATOM 698 CB GLU A 784 0.914 -3.473 8.005 1.00 0.00 C ATOM 699 CG GLU A 784 0.164 -3.909 9.251 1.00 0.00 C ATOM 700 CD GLU A 784 0.655 -3.206 10.501 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.238 -2.108 10.376 1.00 0.00 O ATOM 702 OE2 GLU A 784 0.457 -3.752 11.607 1.00 0.00 O ATOM 0 H GLU A 784 1.457 -3.179 5.619 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.931 -2.884 7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.210 -4.358 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.831 -2.964 8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.899 -3.709 9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.272 -4.986 9.378 1.00 0.00 H new ATOM 709 N ALA A 785 1.353 -0.511 7.326 1.00 0.00 N ATOM 710 CA ALA A 785 1.597 0.873 7.692 1.00 0.00 C ATOM 711 C ALA A 785 0.569 1.767 7.021 1.00 0.00 C ATOM 712 O ALA A 785 0.152 2.778 7.577 1.00 0.00 O ATOM 713 CB ALA A 785 3.003 1.292 7.294 1.00 0.00 C ATOM 0 H ALA A 785 2.138 -0.965 6.859 1.00 0.00 H new ATOM 0 HA ALA A 785 1.506 0.973 8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.166 2.332 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.729 0.659 7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.123 1.186 6.216 1.00 0.00 H new ATOM 719 N MET A 786 0.158 1.374 5.817 1.00 0.00 N ATOM 720 CA MET A 786 -0.834 2.127 5.066 1.00 0.00 C ATOM 721 C MET A 786 -2.174 2.088 5.784 1.00 0.00 C ATOM 722 O MET A 786 -2.889 3.084 5.842 1.00 0.00 O ATOM 723 CB MET A 786 -0.984 1.567 3.651 1.00 0.00 C ATOM 724 CG MET A 786 0.004 2.153 2.663 1.00 0.00 C ATOM 725 SD MET A 786 -0.276 1.583 0.977 1.00 0.00 S ATOM 726 CE MET A 786 1.214 0.637 0.685 1.00 0.00 C ATOM 0 H MET A 786 0.499 0.537 5.344 1.00 0.00 H new ATOM 0 HA MET A 786 -0.496 3.161 4.994 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.857 0.485 3.681 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.997 1.760 3.298 1.00 0.00 H new ATOM 0 HG2 MET A 786 -0.063 3.241 2.690 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.016 1.889 2.968 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.106 0.062 -0.235 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.063 1.315 0.592 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.383 -0.043 1.520 1.00 0.00 H new ATOM 736 N GLU A 787 -2.509 0.932 6.337 1.00 0.00 N ATOM 737 CA GLU A 787 -3.764 0.782 7.061 1.00 0.00 C ATOM 738 C GLU A 787 -3.795 1.705 8.270 1.00 0.00 C ATOM 739 O GLU A 787 -4.773 2.413 8.505 1.00 0.00 O ATOM 740 CB GLU A 787 -3.957 -0.666 7.505 1.00 0.00 C ATOM 741 CG GLU A 787 -4.869 -1.451 6.583 1.00 0.00 C ATOM 742 CD GLU A 787 -5.908 -2.261 7.333 1.00 0.00 C ATOM 743 OE1 GLU A 787 -6.860 -1.654 7.868 1.00 0.00 O ATOM 744 OE2 GLU A 787 -5.773 -3.501 7.383 1.00 0.00 O ATOM 0 H GLU A 787 -1.935 0.090 6.300 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.579 1.054 6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.986 -1.158 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.370 -0.679 8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.372 -0.762 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.267 -2.121 5.968 1.00 0.00 H new ATOM 751 N MET A 788 -2.714 1.684 9.032 1.00 0.00 N ATOM 752 CA MET A 788 -2.596 2.512 10.228 1.00 0.00 C ATOM 753 C MET A 788 -2.436 3.990 9.874 1.00 0.00 C ATOM 754 O MET A 788 -2.971 4.867 10.553 1.00 0.00 O ATOM 755 CB MET A 788 -1.396 2.054 11.052 1.00 0.00 C ATOM 756 CG MET A 788 -1.633 0.752 11.794 1.00 0.00 C ATOM 757 SD MET A 788 -0.110 -0.168 12.089 1.00 0.00 S ATOM 758 CE MET A 788 0.974 1.134 12.671 1.00 0.00 C ATOM 0 H MET A 788 -1.899 1.100 8.845 1.00 0.00 H new ATOM 0 HA MET A 788 -3.513 2.399 10.806 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.536 1.936 10.393 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.141 2.832 11.772 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.115 0.965 12.748 1.00 0.00 H new ATOM 0 HG3 MET A 788 -2.322 0.132 11.221 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.836 0.693 13.173 1.00 0.00 H new ATOM 0 HE2 MET A 788 1.313 1.731 11.824 1.00 0.00 H new ATOM 0 HE3 MET A 788 0.434 1.772 13.371 1.00 0.00 H new ATOM 768 N ALA A 789 -1.684 4.252 8.815 1.00 0.00 N ATOM 769 CA ALA A 789 -1.423 5.617 8.362 1.00 0.00 C ATOM 770 C ALA A 789 -2.660 6.259 7.744 1.00 0.00 C ATOM 771 O ALA A 789 -2.755 7.484 7.654 1.00 0.00 O ATOM 772 CB ALA A 789 -0.284 5.623 7.352 1.00 0.00 C ATOM 0 H ALA A 789 -1.239 3.532 8.246 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.144 6.204 9.237 1.00 0.00 H new ATOM 0 HB1 ALA A 789 -0.097 6.644 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.617 5.222 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.555 5.007 6.494 1.00 0.00 H new ATOM 778 N GLY A 790 -3.595 5.431 7.300 1.00 0.00 N ATOM 779 CA GLY A 790 -4.800 5.942 6.674 1.00 0.00 C ATOM 780 C GLY A 790 -4.656 6.020 5.166 1.00 0.00 C ATOM 781 O GLY A 790 -5.401 6.731 4.495 1.00 0.00 O ATOM 0 H GLY A 790 -3.542 4.414 7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.643 5.299 6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -5.025 6.932 7.070 1.00 0.00 H new ATOM 785 N VAL A 791 -3.685 5.280 4.639 1.00 0.00 N ATOM 786 CA VAL A 791 -3.417 5.248 3.210 1.00 0.00 C ATOM 787 C VAL A 791 -4.251 4.182 2.519 1.00 0.00 C ATOM 788 O VAL A 791 -4.617 4.328 1.354 1.00 0.00 O ATOM 789 CB VAL A 791 -1.929 4.986 2.939 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.627 5.087 1.454 1.00 0.00 C ATOM 791 CG2 VAL A 791 -1.069 5.955 3.734 1.00 0.00 C ATOM 0 H VAL A 791 -3.065 4.688 5.191 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.688 6.224 2.807 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.692 3.972 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.567 4.898 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.218 4.350 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.879 6.086 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 791 -0.016 5.757 3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.309 6.978 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.264 5.826 4.799 1.00 0.00 H new ATOM 801 N VAL A 792 -4.560 3.114 3.245 1.00 0.00 N ATOM 802 CA VAL A 792 -5.366 2.036 2.690 1.00 0.00 C ATOM 803 C VAL A 792 -6.384 1.526 3.701 1.00 0.00 C ATOM 804 O VAL A 792 -6.105 1.452 4.896 1.00 0.00 O ATOM 805 CB VAL A 792 -4.499 0.858 2.211 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.476 1.326 1.191 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.813 0.175 3.384 1.00 0.00 C ATOM 0 H VAL A 792 -4.267 2.973 4.212 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.890 2.457 1.832 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.154 0.130 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.873 0.478 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.990 1.758 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.830 2.078 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.207 -0.654 3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.174 0.892 3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.566 -0.203 4.076 1.00 0.00 H new ATOM 817 N THR A 793 -7.563 1.164 3.209 1.00 0.00 N ATOM 818 CA THR A 793 -8.618 0.646 4.068 1.00 0.00 C ATOM 819 C THR A 793 -8.463 -0.869 4.207 1.00 0.00 C ATOM 820 O THR A 793 -7.754 -1.494 3.418 1.00 0.00 O ATOM 821 CB THR A 793 -10.005 0.993 3.504 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.451 -0.011 2.610 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.057 2.316 2.765 1.00 0.00 C ATOM 0 H THR A 793 -7.811 1.220 2.221 1.00 0.00 H new ATOM 0 HA THR A 793 -8.531 1.110 5.050 1.00 0.00 H new ATOM 0 HB THR A 793 -10.650 1.065 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.430 0.005 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.069 2.488 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.774 3.122 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.365 2.290 1.923 1.00 0.00 H new ATOM 831 N PRO A 794 -9.114 -1.491 5.205 1.00 0.00 N ATOM 832 CA PRO A 794 -9.018 -2.940 5.410 1.00 0.00 C ATOM 833 C PRO A 794 -9.511 -3.725 4.200 1.00 0.00 C ATOM 834 O PRO A 794 -10.147 -3.172 3.303 1.00 0.00 O ATOM 835 CB PRO A 794 -9.916 -3.203 6.625 1.00 0.00 C ATOM 836 CG PRO A 794 -10.795 -2.006 6.724 1.00 0.00 C ATOM 837 CD PRO A 794 -9.986 -0.852 6.202 1.00 0.00 C ATOM 0 HA PRO A 794 -7.987 -3.259 5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.502 -4.112 6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.325 -3.334 7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.705 -2.141 6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.102 -1.832 7.755 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.618 -0.085 5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.411 -0.370 6.993 1.00 0.00 H new ATOM 845 N MET A 795 -9.205 -5.016 4.182 1.00 0.00 N ATOM 846 CA MET A 795 -9.605 -5.885 3.085 1.00 0.00 C ATOM 847 C MET A 795 -11.122 -5.943 2.952 1.00 0.00 C ATOM 848 O MET A 795 -11.852 -5.593 3.880 1.00 0.00 O ATOM 849 CB MET A 795 -9.044 -7.289 3.304 1.00 0.00 C ATOM 850 CG MET A 795 -7.582 -7.302 3.721 1.00 0.00 C ATOM 851 SD MET A 795 -6.623 -8.562 2.856 1.00 0.00 S ATOM 852 CE MET A 795 -5.500 -9.082 4.150 1.00 0.00 C ATOM 0 H MET A 795 -8.679 -5.485 4.919 1.00 0.00 H new ATOM 0 HA MET A 795 -9.201 -5.474 2.160 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.636 -7.792 4.069 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.156 -7.864 2.384 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.145 -6.322 3.528 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.516 -7.475 4.795 1.00 0.00 H new ATOM 0 HE1 MET A 795 -4.840 -9.861 3.768 1.00 0.00 H new ATOM 0 HE2 MET A 795 -4.904 -8.230 4.479 1.00 0.00 H new ATOM 0 HE3 MET A 795 -6.071 -9.472 4.993 1.00 0.00 H new ATOM 862 N ASN A 796 -11.590 -6.389 1.790 1.00 0.00 N ATOM 863 CA ASN A 796 -13.021 -6.494 1.532 1.00 0.00 C ATOM 864 C ASN A 796 -13.473 -7.950 1.576 1.00 0.00 C ATOM 865 O ASN A 796 -12.660 -8.859 1.741 1.00 0.00 O ATOM 866 CB ASN A 796 -13.361 -5.881 0.173 1.00 0.00 C ATOM 867 CG ASN A 796 -13.208 -4.378 0.159 1.00 0.00 C ATOM 868 OD1 ASN A 796 -13.315 -3.718 1.192 1.00 0.00 O ATOM 869 ND2 ASN A 796 -12.955 -3.831 -1.021 1.00 0.00 N ATOM 0 H ASN A 796 -10.999 -6.683 1.013 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.549 -5.944 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.714 -6.315 -0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.386 -6.141 -0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -12.840 -2.821 -1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -12.875 -4.420 -1.850 1.00 0.00 H new ATOM 876 N THR A 797 -14.776 -8.163 1.425 1.00 0.00 N ATOM 877 CA THR A 797 -15.337 -9.508 1.448 1.00 0.00 C ATOM 878 C THR A 797 -14.767 -10.352 0.311 1.00 0.00 C ATOM 879 O THR A 797 -14.577 -11.559 0.455 1.00 0.00 O ATOM 880 CB THR A 797 -16.861 -9.450 1.343 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.259 -8.967 0.072 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.499 -8.564 2.391 1.00 0.00 C ATOM 0 H THR A 797 -15.463 -7.422 1.285 1.00 0.00 H new ATOM 0 HA THR A 797 -15.065 -9.974 2.395 1.00 0.00 H new ATOM 0 HB THR A 797 -17.200 -10.474 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.237 -8.939 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.581 -8.567 2.260 1.00 0.00 H new ATOM 0 HG22 THR A 797 -17.252 -8.940 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 797 -17.124 -7.546 2.284 1.00 0.00 H new ATOM 890 N ASN A 798 -14.496 -9.707 -0.819 1.00 0.00 N ATOM 891 CA ASN A 798 -13.945 -10.397 -1.980 1.00 0.00 C ATOM 892 C ASN A 798 -12.441 -10.618 -1.826 1.00 0.00 C ATOM 893 O ASN A 798 -11.854 -11.445 -2.524 1.00 0.00 O ATOM 894 CB ASN A 798 -14.229 -9.598 -3.254 1.00 0.00 C ATOM 895 CG ASN A 798 -14.724 -10.467 -4.385 1.00 0.00 C ATOM 896 OD1 ASN A 798 -14.444 -11.666 -4.436 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.465 -9.864 -5.301 1.00 0.00 N ATOM 0 H ASN A 798 -14.649 -8.708 -0.956 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.427 -11.372 -2.054 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.972 -8.830 -3.039 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.320 -9.084 -3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -15.831 -10.395 -6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.671 -8.869 -5.216 1.00 0.00 H new ATOM 904 N GLY A 799 -11.823 -9.875 -0.912 1.00 0.00 N ATOM 905 CA GLY A 799 -10.396 -10.009 -0.691 1.00 0.00 C ATOM 906 C GLY A 799 -9.602 -8.898 -1.350 1.00 0.00 C ATOM 907 O GLY A 799 -8.443 -9.088 -1.719 1.00 0.00 O ATOM 0 H GLY A 799 -12.285 -9.184 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.195 -10.009 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.060 -10.971 -1.078 1.00 0.00 H new ATOM 911 N SER A 800 -10.229 -7.736 -1.501 1.00 0.00 N ATOM 912 CA SER A 800 -9.575 -6.590 -2.121 1.00 0.00 C ATOM 913 C SER A 800 -9.615 -5.376 -1.199 1.00 0.00 C ATOM 914 O SER A 800 -10.666 -5.018 -0.670 1.00 0.00 O ATOM 915 CB SER A 800 -10.243 -6.255 -3.454 1.00 0.00 C ATOM 916 OG SER A 800 -10.299 -7.392 -4.299 1.00 0.00 O ATOM 0 H SER A 800 -11.189 -7.563 -1.203 1.00 0.00 H new ATOM 0 HA SER A 800 -8.532 -6.852 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.251 -5.882 -3.275 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.691 -5.457 -3.950 1.00 0.00 H new ATOM 0 HG SER A 800 -10.732 -7.150 -5.144 1.00 0.00 H new ATOM 922 N ARG A 801 -8.459 -4.749 -1.011 1.00 0.00 N ATOM 923 CA ARG A 801 -8.353 -3.575 -0.153 1.00 0.00 C ATOM 924 C ARG A 801 -8.730 -2.304 -0.900 1.00 0.00 C ATOM 925 O ARG A 801 -8.893 -2.307 -2.120 1.00 0.00 O ATOM 926 CB ARG A 801 -6.930 -3.433 0.382 1.00 0.00 C ATOM 927 CG ARG A 801 -6.692 -4.147 1.696 1.00 0.00 C ATOM 928 CD ARG A 801 -5.236 -4.561 1.834 1.00 0.00 C ATOM 929 NE ARG A 801 -4.855 -4.795 3.223 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.155 -3.935 3.964 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.820 -2.738 3.486 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.806 -4.271 5.198 1.00 0.00 N ATOM 0 H ARG A 801 -7.580 -5.035 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.048 -3.715 0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.233 -3.820 -0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.705 -2.374 0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.968 -3.494 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.332 -5.027 1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.062 -5.468 1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.598 -3.785 1.411 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.143 -5.673 3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -4.099 -2.469 2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.284 -2.090 4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -4.073 -5.181 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -3.271 -3.620 5.772 1.00 0.00 H new ATOM 946 N GLU A 802 -8.848 -1.219 -0.151 1.00 0.00 N ATOM 947 CA GLU A 802 -9.183 0.079 -0.719 1.00 0.00 C ATOM 948 C GLU A 802 -8.189 1.134 -0.247 1.00 0.00 C ATOM 949 O GLU A 802 -7.387 0.879 0.651 1.00 0.00 O ATOM 950 CB GLU A 802 -10.610 0.480 -0.339 1.00 0.00 C ATOM 951 CG GLU A 802 -11.602 0.329 -1.481 1.00 0.00 C ATOM 952 CD GLU A 802 -13.043 0.367 -1.012 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.366 -0.334 -0.030 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.848 1.097 -1.627 1.00 0.00 O ATOM 0 H GLU A 802 -8.716 -1.212 0.860 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.125 0.007 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.939 -0.130 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.611 1.516 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.439 1.126 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.416 -0.614 -1.996 1.00 0.00 H new ATOM 961 N VAL A 803 -8.235 2.310 -0.859 1.00 0.00 N ATOM 962 CA VAL A 803 -7.321 3.386 -0.496 1.00 0.00 C ATOM 963 C VAL A 803 -8.043 4.532 0.201 1.00 0.00 C ATOM 964 O VAL A 803 -9.121 4.952 -0.220 1.00 0.00 O ATOM 965 CB VAL A 803 -6.587 3.941 -1.728 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.498 4.914 -1.305 1.00 0.00 C ATOM 967 CG2 VAL A 803 -6.009 2.806 -2.559 1.00 0.00 C ATOM 0 H VAL A 803 -8.891 2.543 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.597 2.950 0.192 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.304 4.482 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.989 5.297 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.944 5.743 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.779 4.400 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.493 3.217 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.304 2.235 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.815 2.152 -2.892 1.00 0.00 H new ATOM 977 N ILE A 804 -7.425 5.047 1.259 1.00 0.00 N ATOM 978 CA ILE A 804 -7.990 6.163 2.010 1.00 0.00 C ATOM 979 C ILE A 804 -7.200 7.439 1.737 1.00 0.00 C ATOM 980 O ILE A 804 -7.738 8.543 1.812 1.00 0.00 O ATOM 981 CB ILE A 804 -8.016 5.900 3.537 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.298 4.593 3.891 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.450 5.874 4.040 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.313 4.275 5.371 1.00 0.00 C ATOM 0 H ILE A 804 -6.531 4.709 1.616 1.00 0.00 H new ATOM 0 HA ILE A 804 -9.020 6.277 1.672 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.483 6.714 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.766 3.772 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.264 4.653 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.456 5.688 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.925 6.833 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.999 5.081 3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.787 3.337 5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.819 5.076 5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.344 4.183 5.713 1.00 0.00 H new ATOM 996 N ALA A 805 -5.919 7.277 1.413 1.00 0.00 N ATOM 997 CA ALA A 805 -5.054 8.410 1.122 1.00 0.00 C ATOM 998 C ALA A 805 -5.287 8.917 -0.298 1.00 0.00 C ATOM 999 O ALA A 805 -5.150 8.165 -1.263 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.593 8.024 1.310 1.00 0.00 C ATOM 0 H ALA A 805 -5.460 6.369 1.346 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.297 9.213 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.959 8.882 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.430 7.708 2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.343 7.205 0.636 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.641 10.205 -0.452 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.888 10.802 -1.767 1.00 0.00 C ATOM 1008 C PRO A 806 -4.622 10.874 -2.614 1.00 0.00 C ATOM 1009 O PRO A 806 -3.511 10.744 -2.100 1.00 0.00 O ATOM 1010 CB PRO A 806 -6.393 12.209 -1.436 1.00 0.00 C ATOM 1011 CG PRO A 806 -5.849 12.496 -0.080 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.824 11.177 0.639 1.00 0.00 C ATOM 0 HA PRO A 806 -6.592 10.214 -2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -6.042 12.938 -2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -7.482 12.251 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -4.849 12.926 -0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -6.474 13.217 0.447 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -5.011 11.128 1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.749 10.999 1.187 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.798 11.079 -3.913 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.671 11.165 -4.832 1.00 0.00 C ATOM 1022 C ALA A 807 -3.013 12.543 -4.769 1.00 0.00 C ATOM 1023 O ALA A 807 -3.681 13.547 -4.522 1.00 0.00 O ATOM 1024 CB ALA A 807 -4.124 10.857 -6.252 1.00 0.00 C ATOM 0 H ALA A 807 -5.711 11.189 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.930 10.425 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -3.272 10.925 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.539 9.850 -6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -4.886 11.575 -6.555 1.00 0.00 H new