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 USER MOD Single : A 750 TYR OH : rot 180:sc= -0.326 USER MOD Single : A 758 THR OG1 : rot 15:sc= -1.58 USER MOD Single : A 760 SER OG : rot -27:sc= -0.328 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= -0.0183 F(o=-1.5,f=-0.018) 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 X(o=0,f=0) USER MOD Single : A 782 MET CE :methyl 173:sc= -7.19! (180deg=-7.42!) USER MOD Single : A 786 MET CE :methyl 171:sc= -4.62! (180deg=-4.92!) USER MOD Single : A 788 MET CE :methyl -170:sc= 0 (180deg=-0.0972) USER MOD Single : A 793 THR OG1 : rot 120:sc= -2.16! USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.709 K(o=-0.71,f=-2.5!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.7) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.644 -0.469 7.244 1.00 0.00 N ATOM 37 CA GLY A 743 7.263 -0.315 6.831 1.00 0.00 C ATOM 38 C GLY A 743 6.367 0.095 7.981 1.00 0.00 C ATOM 39 O GLY A 743 5.410 -0.604 8.314 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.203 0.433 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.904 -1.254 6.409 1.00 0.00 H new ATOM 43 N SER A 744 6.679 1.233 8.592 1.00 0.00 N ATOM 44 CA SER A 744 5.897 1.740 9.715 1.00 0.00 C ATOM 45 C SER A 744 5.230 3.059 9.347 1.00 0.00 C ATOM 46 O SER A 744 4.082 3.313 9.710 1.00 0.00 O ATOM 47 CB SER A 744 6.791 1.928 10.944 1.00 0.00 C ATOM 48 OG SER A 744 7.680 0.833 11.109 1.00 0.00 O ATOM 0 H SER A 744 7.469 1.823 8.328 1.00 0.00 H new ATOM 0 HA SER A 744 5.122 1.011 9.952 1.00 0.00 H new ATOM 0 HB2 SER A 744 7.362 2.851 10.843 1.00 0.00 H new ATOM 0 HB3 SER A 744 6.171 2.033 11.834 1.00 0.00 H new ATOM 0 HG SER A 744 8.239 0.982 11.900 1.00 0.00 H new ATOM 54 N GLU A 745 5.963 3.887 8.618 1.00 0.00 N ATOM 55 CA GLU A 745 5.465 5.179 8.178 1.00 0.00 C ATOM 56 C GLU A 745 6.405 5.771 7.141 1.00 0.00 C ATOM 57 O GLU A 745 5.972 6.249 6.092 1.00 0.00 O ATOM 58 CB GLU A 745 5.314 6.132 9.361 1.00 0.00 C ATOM 59 CG GLU A 745 4.356 7.276 9.086 1.00 0.00 C ATOM 60 CD GLU A 745 4.936 8.628 9.452 1.00 0.00 C ATOM 61 OE1 GLU A 745 5.129 8.883 10.659 1.00 0.00 O ATOM 62 OE2 GLU A 745 5.198 9.431 8.532 1.00 0.00 O ATOM 0 H GLU A 745 6.916 3.682 8.316 1.00 0.00 H new ATOM 0 HA GLU A 745 4.483 5.037 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.963 5.572 10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.292 6.539 9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.089 7.274 8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.436 7.116 9.648 1.00 0.00 H new ATOM 69 N ASP A 746 7.699 5.714 7.431 1.00 0.00 N ATOM 70 CA ASP A 746 8.706 6.221 6.512 1.00 0.00 C ATOM 71 C ASP A 746 9.787 5.172 6.275 1.00 0.00 C ATOM 72 O ASP A 746 10.746 5.059 7.039 1.00 0.00 O ATOM 73 CB ASP A 746 9.329 7.506 7.060 1.00 0.00 C ATOM 74 CG ASP A 746 8.668 8.750 6.497 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.434 8.734 6.311 1.00 0.00 O ATOM 76 OD2 ASP A 746 9.387 9.739 6.242 1.00 0.00 O ATOM 0 H ASP A 746 8.074 5.322 8.295 1.00 0.00 H new ATOM 0 HA ASP A 746 8.223 6.445 5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.246 7.513 8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.392 7.522 6.821 1.00 0.00 H new ATOM 81 N ASP A 747 9.618 4.415 5.202 1.00 0.00 N ATOM 82 CA ASP A 747 10.560 3.369 4.824 1.00 0.00 C ATOM 83 C ASP A 747 11.091 3.616 3.414 1.00 0.00 C ATOM 84 O ASP A 747 10.350 4.071 2.541 1.00 0.00 O ATOM 85 CB ASP A 747 9.877 2.000 4.893 1.00 0.00 C ATOM 86 CG ASP A 747 10.832 0.852 4.629 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.248 0.684 3.463 1.00 0.00 O ATOM 88 OD2 ASP A 747 11.160 0.121 5.586 1.00 0.00 O ATOM 0 H ASP A 747 8.825 4.507 4.568 1.00 0.00 H new ATOM 0 HA ASP A 747 11.398 3.385 5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.427 1.873 5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 747 9.066 1.967 4.165 1.00 0.00 H new ATOM 93 N PRO A 748 12.379 3.313 3.166 1.00 0.00 N ATOM 94 CA PRO A 748 13.009 3.493 1.855 1.00 0.00 C ATOM 95 C PRO A 748 12.076 3.217 0.681 1.00 0.00 C ATOM 96 O PRO A 748 12.237 3.795 -0.394 1.00 0.00 O ATOM 97 CB PRO A 748 14.126 2.456 1.899 1.00 0.00 C ATOM 98 CG PRO A 748 14.566 2.458 3.324 1.00 0.00 C ATOM 99 CD PRO A 748 13.339 2.764 4.149 1.00 0.00 C ATOM 0 HA PRO A 748 13.332 4.522 1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.769 1.472 1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.943 2.722 1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.989 1.492 3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.342 3.206 3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.948 1.868 4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.557 3.483 4.939 1.00 0.00 H new ATOM 107 N LEU A 749 11.120 2.319 0.876 1.00 0.00 N ATOM 108 CA LEU A 749 10.196 1.966 -0.192 1.00 0.00 C ATOM 109 C LEU A 749 8.735 2.251 0.165 1.00 0.00 C ATOM 110 O LEU A 749 7.883 2.309 -0.722 1.00 0.00 O ATOM 111 CB LEU A 749 10.383 0.492 -0.536 1.00 0.00 C ATOM 112 CG LEU A 749 11.756 0.151 -1.112 1.00 0.00 C ATOM 113 CD1 LEU A 749 12.072 -1.326 -0.928 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.822 0.542 -2.579 1.00 0.00 C ATOM 0 H LEU A 749 10.965 1.826 1.755 1.00 0.00 H new ATOM 0 HA LEU A 749 10.425 2.592 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.221 -0.102 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.617 0.198 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 749 12.509 0.721 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 749 13.055 -1.543 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 749 12.068 -1.569 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.319 -1.926 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.806 0.294 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 749 11.058 -0.001 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.650 1.614 -2.678 1.00 0.00 H new ATOM 126 N TYR A 750 8.436 2.433 1.452 1.00 0.00 N ATOM 127 CA TYR A 750 7.059 2.705 1.867 1.00 0.00 C ATOM 128 C TYR A 750 6.473 3.854 1.071 1.00 0.00 C ATOM 129 O TYR A 750 5.392 3.735 0.524 1.00 0.00 O ATOM 130 CB TYR A 750 6.973 3.021 3.355 1.00 0.00 C ATOM 131 CG TYR A 750 5.580 3.385 3.839 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.663 2.399 4.184 1.00 0.00 C ATOM 133 CD2 TYR A 750 5.194 4.714 3.988 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.405 2.723 4.654 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.942 5.045 4.470 1.00 0.00 C ATOM 136 CZ TYR A 750 3.051 4.046 4.800 1.00 0.00 C ATOM 137 OH TYR A 750 1.805 4.372 5.284 1.00 0.00 O ATOM 0 H TYR A 750 9.115 2.398 2.213 1.00 0.00 H new ATOM 0 HA TYR A 750 6.482 1.801 1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.326 2.157 3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.649 3.846 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.939 1.360 4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.885 5.500 3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.702 1.942 4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.663 6.082 4.588 1.00 0.00 H new ATOM 0 HH TYR A 750 1.715 5.347 5.327 1.00 0.00 H new ATOM 147 N ASP A 751 7.188 4.970 1.003 1.00 0.00 N ATOM 148 CA ASP A 751 6.701 6.121 0.255 1.00 0.00 C ATOM 149 C ASP A 751 6.340 5.704 -1.166 1.00 0.00 C ATOM 150 O ASP A 751 5.368 6.193 -1.740 1.00 0.00 O ATOM 151 CB ASP A 751 7.747 7.234 0.226 1.00 0.00 C ATOM 152 CG ASP A 751 7.231 8.490 -0.449 1.00 0.00 C ATOM 153 OD1 ASP A 751 6.231 9.057 0.039 1.00 0.00 O ATOM 154 OD2 ASP A 751 7.825 8.904 -1.466 1.00 0.00 O ATOM 0 H ASP A 751 8.095 5.102 1.450 1.00 0.00 H new ATOM 0 HA ASP A 751 5.810 6.503 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 751 8.051 7.471 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 751 8.635 6.881 -0.298 1.00 0.00 H new ATOM 159 N GLU A 752 7.117 4.775 -1.718 1.00 0.00 N ATOM 160 CA GLU A 752 6.858 4.273 -3.058 1.00 0.00 C ATOM 161 C GLU A 752 5.604 3.410 -3.052 1.00 0.00 C ATOM 162 O GLU A 752 4.798 3.460 -3.978 1.00 0.00 O ATOM 163 CB GLU A 752 8.053 3.475 -3.573 1.00 0.00 C ATOM 164 CG GLU A 752 8.154 3.438 -5.089 1.00 0.00 C ATOM 165 CD GLU A 752 8.814 4.678 -5.659 1.00 0.00 C ATOM 166 OE1 GLU A 752 9.884 5.070 -5.146 1.00 0.00 O ATOM 167 OE2 GLU A 752 8.263 5.257 -6.618 1.00 0.00 O ATOM 0 H GLU A 752 7.926 4.359 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 752 6.702 5.120 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.968 3.905 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.986 2.454 -3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.722 2.558 -5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 752 7.156 3.334 -5.514 1.00 0.00 H new ATOM 174 N ALA A 753 5.439 2.630 -1.984 1.00 0.00 N ATOM 175 CA ALA A 753 4.270 1.771 -1.836 1.00 0.00 C ATOM 176 C ALA A 753 3.023 2.622 -1.680 1.00 0.00 C ATOM 177 O ALA A 753 2.057 2.466 -2.415 1.00 0.00 O ATOM 178 CB ALA A 753 4.434 0.842 -0.643 1.00 0.00 C ATOM 0 H ALA A 753 6.101 2.577 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 753 4.170 1.157 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.551 0.210 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.315 0.216 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.554 1.433 0.265 1.00 0.00 H new ATOM 184 N VAL A 754 3.068 3.543 -0.726 1.00 0.00 N ATOM 185 CA VAL A 754 1.967 4.454 -0.473 1.00 0.00 C ATOM 186 C VAL A 754 1.629 5.221 -1.748 1.00 0.00 C ATOM 187 O VAL A 754 0.461 5.457 -2.056 1.00 0.00 O ATOM 188 CB VAL A 754 2.340 5.433 0.663 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.486 6.690 0.646 1.00 0.00 C ATOM 190 CG2 VAL A 754 2.234 4.736 2.008 1.00 0.00 C ATOM 0 H VAL A 754 3.869 3.677 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 754 1.092 3.882 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 754 3.371 5.746 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.787 7.345 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.621 7.208 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.437 6.419 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.499 5.435 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 754 1.212 4.387 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.915 3.885 2.031 1.00 0.00 H new ATOM 200 N ARG A 755 2.667 5.586 -2.493 1.00 0.00 N ATOM 201 CA ARG A 755 2.494 6.301 -3.750 1.00 0.00 C ATOM 202 C ARG A 755 1.883 5.369 -4.788 1.00 0.00 C ATOM 203 O ARG A 755 1.025 5.766 -5.579 1.00 0.00 O ATOM 204 CB ARG A 755 3.841 6.830 -4.249 1.00 0.00 C ATOM 205 CG ARG A 755 3.728 7.735 -5.465 1.00 0.00 C ATOM 206 CD ARG A 755 5.036 8.460 -5.746 1.00 0.00 C ATOM 207 NE ARG A 755 5.044 9.078 -7.071 1.00 0.00 N ATOM 208 CZ ARG A 755 5.807 10.118 -7.402 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.634 10.657 -6.515 1.00 0.00 N ATOM 210 NH2 ARG A 755 5.744 10.621 -8.629 1.00 0.00 N ATOM 0 H ARG A 755 3.639 5.397 -2.246 1.00 0.00 H new ATOM 0 HA ARG A 755 1.826 7.147 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.327 7.379 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 755 4.485 5.985 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.445 7.143 -6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 755 2.934 8.464 -5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 755 5.197 9.226 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 755 5.865 7.756 -5.669 1.00 0.00 H new ATOM 0 HE ARG A 755 4.428 8.689 -7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 755 6.689 10.275 -5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.215 11.453 -6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 755 5.112 10.211 -9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 755 6.328 11.418 -8.884 1.00 0.00 H new ATOM 224 N PHE A 756 2.334 4.120 -4.765 1.00 0.00 N ATOM 225 CA PHE A 756 1.849 3.101 -5.684 1.00 0.00 C ATOM 226 C PHE A 756 0.372 2.795 -5.419 1.00 0.00 C ATOM 227 O PHE A 756 -0.428 2.693 -6.349 1.00 0.00 O ATOM 228 CB PHE A 756 2.688 1.821 -5.533 1.00 0.00 C ATOM 229 CG PHE A 756 1.935 0.567 -5.867 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.901 0.074 -7.163 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.244 -0.108 -4.879 1.00 0.00 C ATOM 232 CE1 PHE A 756 1.191 -1.072 -7.457 1.00 0.00 C ATOM 233 CE2 PHE A 756 0.533 -1.251 -5.172 1.00 0.00 C ATOM 234 CZ PHE A 756 0.507 -1.733 -6.462 1.00 0.00 C ATOM 0 H PHE A 756 3.043 3.788 -4.111 1.00 0.00 H new ATOM 0 HA PHE A 756 1.946 3.476 -6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.563 1.892 -6.178 1.00 0.00 H new ATOM 0 HB3 PHE A 756 3.052 1.754 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 756 2.434 0.591 -7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 756 1.262 0.265 -3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 756 1.172 -1.451 -8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 756 -0.004 -1.769 -4.391 1.00 0.00 H new ATOM 0 HZ PHE A 756 -0.050 -2.629 -6.693 1.00 0.00 H new ATOM 244 N VAL A 757 0.025 2.643 -4.144 1.00 0.00 N ATOM 245 CA VAL A 757 -1.334 2.343 -3.743 1.00 0.00 C ATOM 246 C VAL A 757 -2.245 3.542 -3.980 1.00 0.00 C ATOM 247 O VAL A 757 -3.375 3.394 -4.444 1.00 0.00 O ATOM 248 CB VAL A 757 -1.373 1.937 -2.255 1.00 0.00 C ATOM 249 CG1 VAL A 757 -2.795 1.678 -1.796 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.500 0.711 -2.021 1.00 0.00 C ATOM 0 H VAL A 757 0.680 2.725 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.693 1.511 -4.349 1.00 0.00 H new ATOM 0 HB VAL A 757 -0.979 2.764 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -2.792 1.394 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.390 2.582 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.227 0.871 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.536 0.435 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.867 -0.118 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.529 0.938 -2.302 1.00 0.00 H new ATOM 260 N THR A 758 -1.743 4.731 -3.663 1.00 0.00 N ATOM 261 CA THR A 758 -2.509 5.957 -3.847 1.00 0.00 C ATOM 262 C THR A 758 -2.912 6.147 -5.310 1.00 0.00 C ATOM 263 O THR A 758 -4.059 6.479 -5.607 1.00 0.00 O ATOM 264 CB THR A 758 -1.692 7.158 -3.377 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.356 7.065 -3.838 1.00 0.00 O ATOM 266 CG2 THR A 758 -1.649 7.305 -1.872 1.00 0.00 C ATOM 0 H THR A 758 -0.809 4.871 -3.278 1.00 0.00 H new ATOM 0 HA THR A 758 -3.418 5.878 -3.251 1.00 0.00 H new ATOM 0 HB THR A 758 -2.196 8.030 -3.794 1.00 0.00 H new ATOM 0 HG1 THR A 758 -0.299 6.386 -4.542 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.052 8.178 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 758 -2.662 7.429 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.202 6.414 -1.432 1.00 0.00 H new ATOM 274 N GLU A 759 -1.960 5.947 -6.219 1.00 0.00 N ATOM 275 CA GLU A 759 -2.220 6.113 -7.648 1.00 0.00 C ATOM 276 C GLU A 759 -2.967 4.914 -8.232 1.00 0.00 C ATOM 277 O GLU A 759 -3.730 5.056 -9.187 1.00 0.00 O ATOM 278 CB GLU A 759 -0.907 6.321 -8.406 1.00 0.00 C ATOM 279 CG GLU A 759 -0.112 7.525 -7.929 1.00 0.00 C ATOM 280 CD GLU A 759 1.263 7.605 -8.565 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.936 6.557 -8.659 1.00 0.00 O ATOM 282 OE2 GLU A 759 1.666 8.716 -8.971 1.00 0.00 O ATOM 0 H GLU A 759 -1.005 5.671 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.852 6.993 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.292 5.427 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -1.125 6.438 -9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -0.667 8.435 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -0.005 7.479 -6.845 1.00 0.00 H new ATOM 289 N SER A 760 -2.738 3.735 -7.663 1.00 0.00 N ATOM 290 CA SER A 760 -3.388 2.518 -8.144 1.00 0.00 C ATOM 291 C SER A 760 -4.836 2.426 -7.658 1.00 0.00 C ATOM 292 O SER A 760 -5.626 1.643 -8.188 1.00 0.00 O ATOM 293 CB SER A 760 -2.601 1.285 -7.694 1.00 0.00 C ATOM 294 OG SER A 760 -2.833 1.003 -6.325 1.00 0.00 O ATOM 0 H SER A 760 -2.110 3.595 -6.871 1.00 0.00 H new ATOM 0 HA SER A 760 -3.403 2.556 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.889 0.425 -8.299 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.536 1.449 -7.859 1.00 0.00 H new ATOM 0 HG SER A 760 -3.068 1.831 -5.856 1.00 0.00 H new ATOM 300 N ARG A 761 -5.179 3.228 -6.652 1.00 0.00 N ATOM 301 CA ARG A 761 -6.532 3.238 -6.099 1.00 0.00 C ATOM 302 C ARG A 761 -6.896 1.893 -5.470 1.00 0.00 C ATOM 303 O ARG A 761 -8.074 1.586 -5.284 1.00 0.00 O ATOM 304 CB ARG A 761 -7.551 3.600 -7.184 1.00 0.00 C ATOM 305 CG ARG A 761 -7.563 5.078 -7.541 1.00 0.00 C ATOM 306 CD ARG A 761 -8.244 5.907 -6.463 1.00 0.00 C ATOM 307 NE ARG A 761 -8.895 7.093 -7.014 1.00 0.00 N ATOM 308 CZ ARG A 761 -9.180 8.183 -6.305 1.00 0.00 C ATOM 309 NH1 ARG A 761 -8.878 8.241 -5.013 1.00 0.00 N ATOM 310 NH2 ARG A 761 -9.770 9.217 -6.888 1.00 0.00 N ATOM 0 H ARG A 761 -4.537 3.881 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.558 3.994 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.335 3.020 -8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.546 3.308 -6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -6.540 5.428 -7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -8.079 5.220 -8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -8.983 5.294 -5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -7.507 6.210 -5.719 1.00 0.00 H new ATOM 0 HE ARG A 761 -9.147 7.085 -8.002 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -8.425 7.448 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -9.099 9.079 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -10.006 9.177 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -9.989 10.052 -6.345 1.00 0.00 H new ATOM 324 N ARG A 762 -5.883 1.095 -5.137 1.00 0.00 N ATOM 325 CA ARG A 762 -6.106 -0.210 -4.525 1.00 0.00 C ATOM 326 C ARG A 762 -4.869 -0.671 -3.757 1.00 0.00 C ATOM 327 O ARG A 762 -3.742 -0.511 -4.225 1.00 0.00 O ATOM 328 CB ARG A 762 -6.483 -1.233 -5.595 1.00 0.00 C ATOM 329 CG ARG A 762 -5.350 -1.577 -6.549 1.00 0.00 C ATOM 330 CD ARG A 762 -5.804 -1.506 -7.999 1.00 0.00 C ATOM 331 NE ARG A 762 -4.683 -1.366 -8.924 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.793 -1.496 -10.245 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.969 -1.772 -10.795 1.00 0.00 N ATOM 334 NH2 ARG A 762 -3.726 -1.349 -11.018 1.00 0.00 N ATOM 0 H ARG A 762 -4.901 1.331 -5.281 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.929 -0.122 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.822 -2.146 -5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -7.325 -0.848 -6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.519 -0.889 -6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -4.980 -2.579 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -6.366 -2.407 -8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.483 -0.663 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 762 -3.763 -1.157 -8.536 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.794 -1.885 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -6.048 -1.871 -11.807 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -2.820 -1.136 -10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.811 -1.449 -12.030 1.00 0.00 H new ATOM 348 N ALA A 763 -5.085 -1.233 -2.568 1.00 0.00 N ATOM 349 CA ALA A 763 -3.991 -1.701 -1.732 1.00 0.00 C ATOM 350 C ALA A 763 -3.808 -3.210 -1.826 1.00 0.00 C ATOM 351 O ALA A 763 -4.379 -3.965 -1.039 1.00 0.00 O ATOM 352 CB ALA A 763 -4.233 -1.300 -0.285 1.00 0.00 C ATOM 0 H ALA A 763 -6.012 -1.373 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 763 -3.077 -1.233 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.409 -1.655 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.299 -0.214 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -5.166 -1.743 0.064 1.00 0.00 H new ATOM 358 N SER A 764 -2.984 -3.640 -2.770 1.00 0.00 N ATOM 359 CA SER A 764 -2.694 -5.055 -2.944 1.00 0.00 C ATOM 360 C SER A 764 -1.202 -5.284 -2.779 1.00 0.00 C ATOM 361 O SER A 764 -0.398 -4.736 -3.529 1.00 0.00 O ATOM 362 CB SER A 764 -3.159 -5.534 -4.321 1.00 0.00 C ATOM 363 OG SER A 764 -4.469 -5.071 -4.605 1.00 0.00 O ATOM 0 H SER A 764 -2.503 -3.027 -3.429 1.00 0.00 H new ATOM 0 HA SER A 764 -3.233 -5.627 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.470 -5.177 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 764 -3.139 -6.623 -4.357 1.00 0.00 H new ATOM 0 HG SER A 764 -4.743 -5.388 -5.491 1.00 0.00 H new ATOM 369 N ILE A 765 -0.835 -6.079 -1.785 1.00 0.00 N ATOM 370 CA ILE A 765 0.569 -6.351 -1.518 1.00 0.00 C ATOM 371 C ILE A 765 1.262 -6.938 -2.739 1.00 0.00 C ATOM 372 O ILE A 765 2.303 -6.443 -3.167 1.00 0.00 O ATOM 373 CB ILE A 765 0.754 -7.300 -0.321 1.00 0.00 C ATOM 374 CG1 ILE A 765 -0.095 -6.845 0.871 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.220 -7.357 0.064 1.00 0.00 C ATOM 376 CD1 ILE A 765 -0.464 -7.972 1.813 1.00 0.00 C ATOM 0 H ILE A 765 -1.486 -6.545 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 765 1.027 -5.392 -1.274 1.00 0.00 H new ATOM 0 HB ILE A 765 0.421 -8.297 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.451 -6.082 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -1.007 -6.378 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.348 -8.030 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 765 2.804 -7.723 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.563 -6.359 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -1.064 -7.579 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -1.037 -8.725 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 765 0.444 -8.424 2.212 1.00 0.00 H new ATOM 388 N SER A 766 0.676 -7.984 -3.309 1.00 0.00 N ATOM 389 CA SER A 766 1.241 -8.620 -4.493 1.00 0.00 C ATOM 390 C SER A 766 1.466 -7.583 -5.588 1.00 0.00 C ATOM 391 O SER A 766 2.467 -7.616 -6.304 1.00 0.00 O ATOM 392 CB SER A 766 0.317 -9.728 -4.997 1.00 0.00 C ATOM 393 OG SER A 766 0.663 -10.125 -6.312 1.00 0.00 O ATOM 0 H SER A 766 -0.188 -8.409 -2.972 1.00 0.00 H new ATOM 0 HA SER A 766 2.200 -9.064 -4.225 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.376 -10.586 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.716 -9.380 -4.979 1.00 0.00 H new ATOM 0 HG SER A 766 0.057 -10.836 -6.609 1.00 0.00 H new ATOM 399 N ALA A 767 0.530 -6.649 -5.696 1.00 0.00 N ATOM 400 CA ALA A 767 0.628 -5.589 -6.684 1.00 0.00 C ATOM 401 C ALA A 767 1.726 -4.607 -6.296 1.00 0.00 C ATOM 402 O ALA A 767 2.491 -4.150 -7.146 1.00 0.00 O ATOM 403 CB ALA A 767 -0.711 -4.883 -6.838 1.00 0.00 C ATOM 0 H ALA A 767 -0.304 -6.606 -5.111 1.00 0.00 H new ATOM 0 HA ALA A 767 0.890 -6.027 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.621 -4.091 -7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.466 -5.600 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -1.007 -4.451 -5.882 1.00 0.00 H new ATOM 409 N VAL A 768 1.816 -4.301 -5.002 1.00 0.00 N ATOM 410 CA VAL A 768 2.845 -3.392 -4.513 1.00 0.00 C ATOM 411 C VAL A 768 4.225 -3.961 -4.797 1.00 0.00 C ATOM 412 O VAL A 768 5.087 -3.273 -5.330 1.00 0.00 O ATOM 413 CB VAL A 768 2.741 -3.127 -2.995 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.781 -2.106 -2.561 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.356 -2.645 -2.619 1.00 0.00 C ATOM 0 H VAL A 768 1.194 -4.667 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 768 2.691 -2.449 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 768 2.929 -4.068 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.694 -1.931 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.778 -2.484 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.618 -1.170 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.312 -2.467 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.137 -1.719 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.621 -3.402 -2.891 1.00 0.00 H new ATOM 425 N GLN A 769 4.432 -5.222 -4.427 1.00 0.00 N ATOM 426 CA GLN A 769 5.720 -5.861 -4.642 1.00 0.00 C ATOM 427 C GLN A 769 6.033 -5.969 -6.126 1.00 0.00 C ATOM 428 O GLN A 769 7.193 -5.877 -6.530 1.00 0.00 O ATOM 429 CB GLN A 769 5.771 -7.243 -3.981 1.00 0.00 C ATOM 430 CG GLN A 769 4.762 -8.232 -4.539 1.00 0.00 C ATOM 431 CD GLN A 769 5.369 -9.594 -4.817 1.00 0.00 C ATOM 432 OE1 GLN A 769 5.812 -10.271 -3.765 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 5.437 -10.033 -5.965 1.00 0.00 N flip ATOM 0 H GLN A 769 3.730 -5.814 -3.982 1.00 0.00 H new ATOM 0 HA GLN A 769 6.480 -5.234 -4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.773 -7.655 -4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.599 -7.129 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 769 3.939 -8.343 -3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.339 -7.832 -5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.084 -9.478 -6.745 1.00 0.00 H new ATOM 0 HE22 GLN A 769 5.846 -10.951 -6.136 1.00 0.00 H new ATOM 442 N ARG A 770 4.993 -6.159 -6.929 1.00 0.00 N ATOM 443 CA ARG A 770 5.153 -6.274 -8.370 1.00 0.00 C ATOM 444 C ARG A 770 5.561 -4.938 -8.994 1.00 0.00 C ATOM 445 O ARG A 770 6.426 -4.892 -9.868 1.00 0.00 O ATOM 446 CB ARG A 770 3.851 -6.780 -8.993 1.00 0.00 C ATOM 447 CG ARG A 770 3.904 -8.245 -9.384 1.00 0.00 C ATOM 448 CD ARG A 770 2.706 -8.647 -10.229 1.00 0.00 C ATOM 449 NE ARG A 770 2.678 -7.944 -11.509 1.00 0.00 N ATOM 450 CZ ARG A 770 1.967 -8.345 -12.560 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.227 -9.445 -12.489 1.00 0.00 N ATOM 452 NH2 ARG A 770 1.993 -7.644 -13.685 1.00 0.00 N ATOM 0 H ARG A 770 4.029 -6.237 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 770 5.951 -6.988 -8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.035 -6.629 -8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.623 -6.183 -9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 770 4.822 -8.440 -9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 770 3.938 -8.860 -8.485 1.00 0.00 H new ATOM 0 HD2 ARG A 770 2.732 -9.722 -10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 770 1.788 -8.437 -9.680 1.00 0.00 H new ATOM 0 HE ARG A 770 3.236 -7.096 -11.603 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.201 -9.988 -11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 770 0.684 -9.748 -13.298 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.558 -6.797 -13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 770 1.448 -7.952 -14.490 1.00 0.00 H new ATOM 466 N LYS A 771 4.932 -3.856 -8.544 1.00 0.00 N ATOM 467 CA LYS A 771 5.230 -2.522 -9.065 1.00 0.00 C ATOM 468 C LYS A 771 6.515 -1.955 -8.463 1.00 0.00 C ATOM 469 O LYS A 771 7.294 -1.293 -9.150 1.00 0.00 O ATOM 470 CB LYS A 771 4.059 -1.576 -8.787 1.00 0.00 C ATOM 471 CG LYS A 771 3.815 -0.567 -9.901 1.00 0.00 C ATOM 472 CD LYS A 771 2.550 -0.890 -10.680 1.00 0.00 C ATOM 473 CE LYS A 771 1.955 0.348 -11.332 1.00 0.00 C ATOM 474 NZ LYS A 771 0.668 0.048 -12.021 1.00 0.00 N ATOM 0 H LYS A 771 4.213 -3.875 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 771 5.378 -2.611 -10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.154 -2.165 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.248 -1.040 -7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 771 3.736 0.434 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 771 4.669 -0.559 -10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 771 2.775 -1.632 -11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 771 1.815 -1.337 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 771 1.791 1.114 -10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.665 0.757 -12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 0.294 0.917 -12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 0.828 -0.665 -12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -0.018 -0.318 -11.331 1.00 0.00 H new ATOM 488 N LEU A 772 6.726 -2.216 -7.179 1.00 0.00 N ATOM 489 CA LEU A 772 7.915 -1.728 -6.476 1.00 0.00 C ATOM 490 C LEU A 772 9.102 -2.674 -6.613 1.00 0.00 C ATOM 491 O LEU A 772 10.217 -2.326 -6.227 1.00 0.00 O ATOM 492 CB LEU A 772 7.617 -1.522 -4.990 1.00 0.00 C ATOM 493 CG LEU A 772 7.492 -0.064 -4.549 1.00 0.00 C ATOM 494 CD1 LEU A 772 6.037 0.345 -4.415 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.222 0.150 -3.233 1.00 0.00 C ATOM 0 H LEU A 772 6.090 -2.764 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 772 8.179 -0.778 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.689 -2.040 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.408 -1.995 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 772 7.949 0.562 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.979 1.387 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.536 0.228 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.549 -0.286 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.126 1.192 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.788 -0.493 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.277 -0.096 -3.358 1.00 0.00 H new ATOM 507 N LYS A 773 8.866 -3.872 -7.127 1.00 0.00 N ATOM 508 CA LYS A 773 9.937 -4.847 -7.261 1.00 0.00 C ATOM 509 C LYS A 773 10.500 -5.179 -5.882 1.00 0.00 C ATOM 510 O LYS A 773 11.710 -5.331 -5.710 1.00 0.00 O ATOM 511 CB LYS A 773 11.052 -4.309 -8.166 1.00 0.00 C ATOM 512 CG LYS A 773 10.663 -4.223 -9.632 1.00 0.00 C ATOM 513 CD LYS A 773 11.879 -3.994 -10.516 1.00 0.00 C ATOM 514 CE LYS A 773 12.427 -2.584 -10.357 1.00 0.00 C ATOM 515 NZ LYS A 773 13.400 -2.239 -11.431 1.00 0.00 N ATOM 0 H LYS A 773 7.954 -4.190 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 773 9.533 -5.751 -7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.343 -3.318 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 773 11.928 -4.951 -8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 773 10.162 -5.143 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.950 -3.411 -9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 773 12.655 -4.717 -10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.610 -4.165 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 773 11.603 -1.871 -10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 773 12.912 -2.491 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.749 -1.270 -11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 14.200 -2.903 -11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 12.932 -2.302 -12.357 1.00 0.00 H new ATOM 529 N ILE A 774 9.605 -5.286 -4.901 1.00 0.00 N ATOM 530 CA ILE A 774 10.004 -5.597 -3.532 1.00 0.00 C ATOM 531 C ILE A 774 9.513 -6.986 -3.137 1.00 0.00 C ATOM 532 O ILE A 774 8.970 -7.717 -3.966 1.00 0.00 O ATOM 533 CB ILE A 774 9.453 -4.565 -2.517 1.00 0.00 C ATOM 534 CG1 ILE A 774 7.939 -4.430 -2.652 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.117 -3.215 -2.708 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.319 -3.470 -1.657 1.00 0.00 C ATOM 0 H ILE A 774 8.601 -5.162 -5.030 1.00 0.00 H new ATOM 0 HA ILE A 774 11.093 -5.561 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 774 9.682 -4.925 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.702 -4.095 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.484 -5.412 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.715 -2.506 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.192 -3.314 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.922 -2.853 -3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.241 -3.428 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.524 -3.814 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.746 -2.477 -1.796 1.00 0.00 H new ATOM 548 N GLY A 775 9.701 -7.347 -1.873 1.00 0.00 N ATOM 549 CA GLY A 775 9.264 -8.648 -1.405 1.00 0.00 C ATOM 550 C GLY A 775 7.846 -8.619 -0.872 1.00 0.00 C ATOM 551 O GLY A 775 7.371 -7.578 -0.417 1.00 0.00 O ATOM 0 H GLY A 775 10.147 -6.763 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.328 -9.366 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 775 9.938 -8.995 -0.622 1.00 0.00 H new ATOM 555 N TYR A 776 7.165 -9.760 -0.928 1.00 0.00 N ATOM 556 CA TYR A 776 5.791 -9.848 -0.445 1.00 0.00 C ATOM 557 C TYR A 776 5.699 -9.413 1.014 1.00 0.00 C ATOM 558 O TYR A 776 4.811 -8.647 1.389 1.00 0.00 O ATOM 559 CB TYR A 776 5.255 -11.272 -0.600 1.00 0.00 C ATOM 560 CG TYR A 776 3.840 -11.438 -0.093 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.582 -11.562 1.265 1.00 0.00 C ATOM 562 CD2 TYR A 776 2.763 -11.463 -0.971 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.292 -11.708 1.737 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.469 -11.606 -0.507 1.00 0.00 C ATOM 565 CZ TYR A 776 1.239 -11.728 0.848 1.00 0.00 C ATOM 566 OH TYR A 776 -0.049 -11.871 1.316 1.00 0.00 O ATOM 0 H TYR A 776 7.540 -10.632 -1.301 1.00 0.00 H new ATOM 0 HA TYR A 776 5.181 -9.175 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.292 -11.554 -1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 776 5.909 -11.959 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.404 -11.544 1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 776 2.940 -11.369 -2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.110 -11.806 2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.642 -11.622 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.674 -11.864 0.561 1.00 0.00 H new ATOM 576 N ASN A 777 6.621 -9.907 1.832 1.00 0.00 N ATOM 577 CA ASN A 777 6.640 -9.567 3.249 1.00 0.00 C ATOM 578 C ASN A 777 6.884 -8.075 3.445 1.00 0.00 C ATOM 579 O ASN A 777 6.177 -7.416 4.207 1.00 0.00 O ATOM 580 CB ASN A 777 7.717 -10.375 3.975 1.00 0.00 C ATOM 581 CG ASN A 777 7.427 -11.863 3.963 1.00 0.00 C ATOM 582 OD1 ASN A 777 7.878 -12.588 3.075 1.00 0.00 O ATOM 583 ND2 ASN A 777 6.670 -12.326 4.949 1.00 0.00 N ATOM 0 H ASN A 777 7.363 -10.543 1.539 1.00 0.00 H new ATOM 0 HA ASN A 777 5.666 -9.815 3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.684 -10.192 3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 777 7.793 -10.030 5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 777 6.440 -13.319 4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 777 6.318 -11.689 5.664 1.00 0.00 H new ATOM 590 N ARG A 778 7.887 -7.544 2.750 1.00 0.00 N ATOM 591 CA ARG A 778 8.216 -6.131 2.849 1.00 0.00 C ATOM 592 C ARG A 778 7.024 -5.272 2.443 1.00 0.00 C ATOM 593 O ARG A 778 6.630 -4.357 3.166 1.00 0.00 O ATOM 594 CB ARG A 778 9.435 -5.824 1.971 1.00 0.00 C ATOM 595 CG ARG A 778 9.691 -4.342 1.751 1.00 0.00 C ATOM 596 CD ARG A 778 10.893 -4.120 0.849 1.00 0.00 C ATOM 597 NE ARG A 778 11.800 -3.098 1.377 1.00 0.00 N ATOM 598 CZ ARG A 778 13.094 -3.300 1.622 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.656 -4.477 1.375 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.833 -2.314 2.112 1.00 0.00 N ATOM 0 H ARG A 778 8.483 -8.073 2.114 1.00 0.00 H new ATOM 0 HA ARG A 778 8.459 -5.894 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.319 -6.269 2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.301 -6.305 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.809 -3.880 1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.858 -3.853 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.435 -5.058 0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.551 -3.823 -0.142 1.00 0.00 H new ATOM 0 HE ARG A 778 11.416 -2.173 1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 778 13.096 -5.239 0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.648 -4.619 1.567 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.410 -1.405 2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.824 -2.465 2.301 1.00 0.00 H new ATOM 614 N ALA A 779 6.446 -5.583 1.289 1.00 0.00 N ATOM 615 CA ALA A 779 5.288 -4.848 0.791 1.00 0.00 C ATOM 616 C ALA A 779 4.148 -4.888 1.806 1.00 0.00 C ATOM 617 O ALA A 779 3.591 -3.852 2.167 1.00 0.00 O ATOM 618 CB ALA A 779 4.844 -5.413 -0.549 1.00 0.00 C ATOM 0 H ALA A 779 6.760 -6.339 0.680 1.00 0.00 H new ATOM 0 HA ALA A 779 5.571 -3.805 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 779 3.979 -4.856 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.658 -5.326 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.576 -6.463 -0.430 1.00 0.00 H new ATOM 624 N ALA A 780 3.815 -6.089 2.271 1.00 0.00 N ATOM 625 CA ALA A 780 2.752 -6.266 3.252 1.00 0.00 C ATOM 626 C ALA A 780 3.014 -5.425 4.498 1.00 0.00 C ATOM 627 O ALA A 780 2.093 -4.823 5.053 1.00 0.00 O ATOM 628 CB ALA A 780 2.619 -7.735 3.626 1.00 0.00 C ATOM 0 H ALA A 780 4.269 -6.956 1.982 1.00 0.00 H new ATOM 0 HA ALA A 780 1.817 -5.929 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.821 -7.853 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.382 -8.317 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.558 -8.089 4.051 1.00 0.00 H new ATOM 634 N ARG A 781 4.274 -5.374 4.932 1.00 0.00 N ATOM 635 CA ARG A 781 4.631 -4.587 6.108 1.00 0.00 C ATOM 636 C ARG A 781 4.297 -3.121 5.867 1.00 0.00 C ATOM 637 O ARG A 781 3.720 -2.454 6.726 1.00 0.00 O ATOM 638 CB ARG A 781 6.117 -4.748 6.435 1.00 0.00 C ATOM 639 CG ARG A 781 6.452 -6.071 7.105 1.00 0.00 C ATOM 640 CD ARG A 781 7.904 -6.117 7.552 1.00 0.00 C ATOM 641 NE ARG A 781 8.540 -7.389 7.219 1.00 0.00 N ATOM 642 CZ ARG A 781 9.658 -7.831 7.791 1.00 0.00 C ATOM 643 NH1 ARG A 781 10.265 -7.106 8.723 1.00 0.00 N ATOM 644 NH2 ARG A 781 10.171 -8.999 7.430 1.00 0.00 N ATOM 0 H ARG A 781 5.054 -5.862 4.492 1.00 0.00 H new ATOM 0 HA ARG A 781 4.055 -4.948 6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.695 -4.660 5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.428 -3.931 7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.800 -6.219 7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.257 -6.890 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 781 8.454 -5.303 7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 781 7.957 -5.956 8.629 1.00 0.00 H new ATOM 0 HE ARG A 781 8.102 -7.973 6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 781 9.875 -6.206 9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 781 11.121 -7.449 9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 781 9.709 -9.559 6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 781 11.028 -9.337 7.869 1.00 0.00 H new ATOM 658 N MET A 782 4.634 -2.636 4.675 1.00 0.00 N ATOM 659 CA MET A 782 4.337 -1.260 4.305 1.00 0.00 C ATOM 660 C MET A 782 2.830 -1.074 4.244 1.00 0.00 C ATOM 661 O MET A 782 2.287 -0.088 4.738 1.00 0.00 O ATOM 662 CB MET A 782 4.957 -0.924 2.946 1.00 0.00 C ATOM 663 CG MET A 782 6.476 -0.959 2.942 1.00 0.00 C ATOM 664 SD MET A 782 7.138 -1.983 1.616 1.00 0.00 S ATOM 665 CE MET A 782 7.804 -0.741 0.515 1.00 0.00 C ATOM 0 H MET A 782 5.111 -3.175 3.953 1.00 0.00 H new ATOM 0 HA MET A 782 4.762 -0.590 5.053 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.584 -1.628 2.202 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.624 0.068 2.640 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.859 0.056 2.839 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.830 -1.338 3.901 1.00 0.00 H new ATOM 0 HE1 MET A 782 8.356 -1.227 -0.290 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.988 -0.154 0.093 1.00 0.00 H new ATOM 0 HE3 MET A 782 8.474 -0.085 1.070 1.00 0.00 H new ATOM 675 N ILE A 783 2.161 -2.051 3.643 1.00 0.00 N ATOM 676 CA ILE A 783 0.713 -2.032 3.516 1.00 0.00 C ATOM 677 C ILE A 783 0.075 -1.933 4.903 1.00 0.00 C ATOM 678 O ILE A 783 -0.890 -1.196 5.108 1.00 0.00 O ATOM 679 CB ILE A 783 0.219 -3.297 2.770 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.587 -3.218 1.284 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.278 -3.497 2.931 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.239 -2.210 0.498 1.00 0.00 C ATOM 0 H ILE A 783 2.606 -2.873 3.233 1.00 0.00 H new ATOM 0 HA ILE A 783 0.416 -1.161 2.932 1.00 0.00 H new ATOM 0 HB ILE A 783 0.718 -4.157 3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.642 -2.958 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.462 -4.204 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.585 -4.394 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.519 -3.607 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.806 -2.633 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.080 -2.212 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.293 -2.480 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.096 -1.215 0.919 1.00 0.00 H new ATOM 694 N GLU A 784 0.653 -2.649 5.863 1.00 0.00 N ATOM 695 CA GLU A 784 0.174 -2.607 7.238 1.00 0.00 C ATOM 696 C GLU A 784 0.319 -1.184 7.761 1.00 0.00 C ATOM 697 O GLU A 784 -0.609 -0.604 8.340 1.00 0.00 O ATOM 698 CB GLU A 784 0.979 -3.577 8.103 1.00 0.00 C ATOM 699 CG GLU A 784 0.272 -3.998 9.380 1.00 0.00 C ATOM 700 CD GLU A 784 0.793 -3.266 10.601 1.00 0.00 C ATOM 701 OE1 GLU A 784 2.003 -2.960 10.640 1.00 0.00 O ATOM 702 OE2 GLU A 784 -0.009 -3.002 11.522 1.00 0.00 O ATOM 0 H GLU A 784 1.453 -3.264 5.713 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.874 -2.906 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.208 -4.467 7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.930 -3.113 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.797 -3.812 9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.396 -5.071 9.523 1.00 0.00 H new ATOM 709 N ALA A 785 1.496 -0.619 7.511 1.00 0.00 N ATOM 710 CA ALA A 785 1.796 0.747 7.907 1.00 0.00 C ATOM 711 C ALA A 785 0.791 1.697 7.280 1.00 0.00 C ATOM 712 O ALA A 785 0.423 2.710 7.870 1.00 0.00 O ATOM 713 CB ALA A 785 3.209 1.120 7.478 1.00 0.00 C ATOM 0 H ALA A 785 2.261 -1.093 7.032 1.00 0.00 H new ATOM 0 HA ALA A 785 1.729 0.825 8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.422 2.145 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.923 0.446 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.295 1.036 6.395 1.00 0.00 H new ATOM 719 N MET A 786 0.349 1.350 6.075 1.00 0.00 N ATOM 720 CA MET A 786 -0.620 2.160 5.353 1.00 0.00 C ATOM 721 C MET A 786 -1.969 2.128 6.052 1.00 0.00 C ATOM 722 O MET A 786 -2.671 3.134 6.120 1.00 0.00 O ATOM 723 CB MET A 786 -0.767 1.661 3.919 1.00 0.00 C ATOM 724 CG MET A 786 0.291 2.200 2.985 1.00 0.00 C ATOM 725 SD MET A 786 0.029 1.707 1.272 1.00 0.00 S ATOM 726 CE MET A 786 1.445 0.642 1.011 1.00 0.00 C ATOM 0 H MET A 786 0.649 0.511 5.579 1.00 0.00 H new ATOM 0 HA MET A 786 -0.259 3.188 5.335 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.724 0.572 3.915 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.751 1.943 3.543 1.00 0.00 H new ATOM 0 HG2 MET A 786 0.303 3.288 3.047 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.270 1.851 3.313 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.344 0.131 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.355 1.241 1.009 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.498 -0.095 1.812 1.00 0.00 H new ATOM 736 N GLU A 787 -2.329 0.966 6.577 1.00 0.00 N ATOM 737 CA GLU A 787 -3.595 0.822 7.278 1.00 0.00 C ATOM 738 C GLU A 787 -3.619 1.723 8.502 1.00 0.00 C ATOM 739 O GLU A 787 -4.596 2.428 8.754 1.00 0.00 O ATOM 740 CB GLU A 787 -3.817 -0.632 7.690 1.00 0.00 C ATOM 741 CG GLU A 787 -4.612 -1.424 6.672 1.00 0.00 C ATOM 742 CD GLU A 787 -5.690 -2.280 7.307 1.00 0.00 C ATOM 743 OE1 GLU A 787 -5.355 -3.105 8.184 1.00 0.00 O ATOM 744 OE2 GLU A 787 -6.870 -2.126 6.929 1.00 0.00 O ATOM 0 H GLU A 787 -1.767 0.116 6.531 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.400 1.117 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.850 -1.112 7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.337 -0.657 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.071 -0.737 5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -3.934 -2.062 6.105 1.00 0.00 H new ATOM 751 N MET A 788 -2.529 1.695 9.252 1.00 0.00 N ATOM 752 CA MET A 788 -2.407 2.512 10.453 1.00 0.00 C ATOM 753 C MET A 788 -2.204 3.986 10.102 1.00 0.00 C ATOM 754 O MET A 788 -2.724 4.873 10.778 1.00 0.00 O ATOM 755 CB MET A 788 -1.238 2.017 11.303 1.00 0.00 C ATOM 756 CG MET A 788 -1.560 0.772 12.110 1.00 0.00 C ATOM 757 SD MET A 788 -0.514 0.600 13.568 1.00 0.00 S ATOM 758 CE MET A 788 1.109 0.547 12.817 1.00 0.00 C ATOM 0 H MET A 788 -1.714 1.115 9.052 1.00 0.00 H new ATOM 0 HA MET A 788 -3.334 2.421 11.019 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.389 1.809 10.652 1.00 0.00 H new ATOM 0 HB3 MET A 788 -0.931 2.812 11.983 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.605 0.804 12.419 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.442 -0.107 11.477 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.848 0.266 13.567 1.00 0.00 H new ATOM 0 HE2 MET A 788 1.113 -0.187 12.011 1.00 0.00 H new ATOM 0 HE3 MET A 788 1.356 1.529 12.415 1.00 0.00 H new ATOM 768 N ALA A 789 -1.436 4.234 9.049 1.00 0.00 N ATOM 769 CA ALA A 789 -1.145 5.597 8.606 1.00 0.00 C ATOM 770 C ALA A 789 -2.367 6.270 7.989 1.00 0.00 C ATOM 771 O ALA A 789 -2.433 7.496 7.905 1.00 0.00 O ATOM 772 CB ALA A 789 -0.005 5.585 7.596 1.00 0.00 C ATOM 0 H ALA A 789 -1.000 3.507 8.481 1.00 0.00 H new ATOM 0 HA ALA A 789 -0.855 6.171 9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 789 0.205 6.604 7.272 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.886 5.161 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.289 4.981 6.734 1.00 0.00 H new ATOM 778 N GLY A 790 -3.321 5.466 7.538 1.00 0.00 N ATOM 779 CA GLY A 790 -4.511 6.010 6.909 1.00 0.00 C ATOM 780 C GLY A 790 -4.373 6.061 5.399 1.00 0.00 C ATOM 781 O GLY A 790 -5.132 6.750 4.717 1.00 0.00 O ATOM 0 H GLY A 790 -3.293 4.448 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.375 5.401 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -4.699 7.013 7.292 1.00 0.00 H new ATOM 785 N VAL A 791 -3.389 5.328 4.885 1.00 0.00 N ATOM 786 CA VAL A 791 -3.116 5.272 3.458 1.00 0.00 C ATOM 787 C VAL A 791 -3.986 4.235 2.765 1.00 0.00 C ATOM 788 O VAL A 791 -4.394 4.422 1.619 1.00 0.00 O ATOM 789 CB VAL A 791 -1.634 4.950 3.202 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.338 4.869 1.713 1.00 0.00 C ATOM 791 CG2 VAL A 791 -0.751 5.989 3.871 1.00 0.00 C ATOM 0 H VAL A 791 -2.760 4.757 5.449 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.350 6.253 3.045 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.416 3.974 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.283 4.640 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -1.947 4.085 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.572 5.824 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.296 5.752 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -0.978 6.975 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -0.937 5.987 4.945 1.00 0.00 H new ATOM 801 N VAL A 792 -4.275 3.146 3.464 1.00 0.00 N ATOM 802 CA VAL A 792 -5.107 2.094 2.897 1.00 0.00 C ATOM 803 C VAL A 792 -6.134 1.584 3.904 1.00 0.00 C ATOM 804 O VAL A 792 -5.878 1.554 5.107 1.00 0.00 O ATOM 805 CB VAL A 792 -4.251 0.908 2.406 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.176 1.377 1.441 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.622 0.170 3.578 1.00 0.00 C ATOM 0 H VAL A 792 -3.950 2.969 4.414 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.632 2.535 2.050 1.00 0.00 H new ATOM 0 HB VAL A 792 -4.910 0.219 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.586 0.522 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.643 1.852 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.525 2.094 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.024 -0.662 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -2.984 0.854 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.407 -0.212 4.231 1.00 0.00 H new ATOM 817 N THR A 793 -7.289 1.163 3.400 1.00 0.00 N ATOM 818 CA THR A 793 -8.344 0.627 4.249 1.00 0.00 C ATOM 819 C THR A 793 -8.258 -0.896 4.252 1.00 0.00 C ATOM 820 O THR A 793 -7.498 -1.469 3.476 1.00 0.00 O ATOM 821 CB THR A 793 -9.731 1.050 3.751 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.116 0.270 2.633 1.00 0.00 O ATOM 823 CG2 THR A 793 -9.826 2.502 3.341 1.00 0.00 C ATOM 0 H THR A 793 -7.518 1.183 2.406 1.00 0.00 H new ATOM 0 HA THR A 793 -8.206 1.021 5.256 1.00 0.00 H new ATOM 0 HB THR A 793 -10.392 0.895 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 793 -10.942 -0.214 2.841 1.00 0.00 H new ATOM 0 HG21 THR A 793 -10.839 2.719 3.002 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.585 3.137 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.122 2.698 2.532 1.00 0.00 H new ATOM 831 N PRO A 794 -9.036 -1.583 5.105 1.00 0.00 N ATOM 832 CA PRO A 794 -9.024 -3.048 5.159 1.00 0.00 C ATOM 833 C PRO A 794 -9.410 -3.668 3.819 1.00 0.00 C ATOM 834 O PRO A 794 -9.706 -2.960 2.857 1.00 0.00 O ATOM 835 CB PRO A 794 -10.070 -3.386 6.224 1.00 0.00 C ATOM 836 CG PRO A 794 -10.214 -2.141 7.027 1.00 0.00 C ATOM 837 CD PRO A 794 -9.983 -1.005 6.070 1.00 0.00 C ATOM 0 HA PRO A 794 -8.033 -3.439 5.389 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -11.018 -3.675 5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.746 -4.221 6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.205 -2.078 7.476 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -9.492 -2.117 7.843 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.908 -0.687 5.589 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.567 -0.131 6.572 1.00 0.00 H new ATOM 845 N MET A 795 -9.404 -4.994 3.765 1.00 0.00 N ATOM 846 CA MET A 795 -9.750 -5.718 2.551 1.00 0.00 C ATOM 847 C MET A 795 -11.259 -5.742 2.325 1.00 0.00 C ATOM 848 O MET A 795 -12.037 -5.361 3.199 1.00 0.00 O ATOM 849 CB MET A 795 -9.216 -7.147 2.630 1.00 0.00 C ATOM 850 CG MET A 795 -7.698 -7.230 2.678 1.00 0.00 C ATOM 851 SD MET A 795 -7.098 -8.263 4.030 1.00 0.00 S ATOM 852 CE MET A 795 -5.502 -8.763 3.392 1.00 0.00 C ATOM 0 H MET A 795 -9.161 -5.592 4.555 1.00 0.00 H new ATOM 0 HA MET A 795 -9.292 -5.200 1.709 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.626 -7.630 3.517 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.575 -7.708 1.767 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.330 -7.627 1.732 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.287 -6.226 2.783 1.00 0.00 H new ATOM 0 HE1 MET A 795 -5.006 -9.408 4.117 1.00 0.00 H new ATOM 0 HE2 MET A 795 -5.638 -9.306 2.456 1.00 0.00 H new ATOM 0 HE3 MET A 795 -4.889 -7.880 3.213 1.00 0.00 H new ATOM 862 N ASN A 796 -11.660 -6.200 1.143 1.00 0.00 N ATOM 863 CA ASN A 796 -13.073 -6.285 0.789 1.00 0.00 C ATOM 864 C ASN A 796 -13.553 -7.732 0.825 1.00 0.00 C ATOM 865 O ASN A 796 -12.768 -8.651 1.061 1.00 0.00 O ATOM 866 CB ASN A 796 -13.314 -5.696 -0.603 1.00 0.00 C ATOM 867 CG ASN A 796 -13.520 -4.200 -0.574 1.00 0.00 C ATOM 868 OD1 ASN A 796 -13.936 -3.635 0.437 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.227 -3.552 -1.691 1.00 0.00 N ATOM 0 H ASN A 796 -11.024 -6.519 0.412 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.638 -5.709 1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.464 -5.929 -1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.189 -6.171 -1.048 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.343 -2.540 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -12.885 -4.065 -2.503 1.00 0.00 H new ATOM 876 N THR A 797 -14.844 -7.926 0.588 1.00 0.00 N ATOM 877 CA THR A 797 -15.430 -9.260 0.590 1.00 0.00 C ATOM 878 C THR A 797 -14.789 -10.142 -0.478 1.00 0.00 C ATOM 879 O THR A 797 -14.757 -11.366 -0.349 1.00 0.00 O ATOM 880 CB THR A 797 -16.939 -9.175 0.357 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.503 -10.469 0.244 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.307 -8.403 -0.893 1.00 0.00 C ATOM 0 H THR A 797 -15.506 -7.175 0.392 1.00 0.00 H new ATOM 0 HA THR A 797 -15.242 -9.709 1.565 1.00 0.00 H new ATOM 0 HB THR A 797 -17.337 -8.646 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.469 -10.393 0.097 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.391 -8.380 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 797 -16.928 -7.384 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 797 -16.867 -8.889 -1.764 1.00 0.00 H new ATOM 890 N ASN A 798 -14.283 -9.515 -1.537 1.00 0.00 N ATOM 891 CA ASN A 798 -13.650 -10.248 -2.629 1.00 0.00 C ATOM 892 C ASN A 798 -12.142 -10.380 -2.412 1.00 0.00 C ATOM 893 O ASN A 798 -11.492 -11.220 -3.034 1.00 0.00 O ATOM 894 CB ASN A 798 -13.926 -9.550 -3.963 1.00 0.00 C ATOM 895 CG ASN A 798 -14.495 -10.489 -5.000 1.00 0.00 C ATOM 896 OD1 ASN A 798 -14.227 -11.691 -4.986 1.00 0.00 O ATOM 897 ND2 ASN A 798 -15.288 -9.940 -5.908 1.00 0.00 N ATOM 0 H ASN A 798 -14.299 -8.503 -1.662 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.078 -11.250 -2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.622 -8.727 -3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.000 -9.115 -4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -15.706 -10.518 -6.637 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.481 -8.939 -5.878 1.00 0.00 H new ATOM 904 N GLY A 799 -11.591 -9.550 -1.531 1.00 0.00 N ATOM 905 CA GLY A 799 -10.166 -9.602 -1.259 1.00 0.00 C ATOM 906 C GLY A 799 -9.421 -8.407 -1.819 1.00 0.00 C ATOM 907 O GLY A 799 -8.247 -8.508 -2.173 1.00 0.00 O ATOM 0 H GLY A 799 -12.104 -8.845 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.007 -9.652 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -9.752 -10.516 -1.685 1.00 0.00 H new ATOM 911 N SER A 800 -10.106 -7.270 -1.897 1.00 0.00 N ATOM 912 CA SER A 800 -9.503 -6.046 -2.415 1.00 0.00 C ATOM 913 C SER A 800 -9.623 -4.916 -1.399 1.00 0.00 C ATOM 914 O SER A 800 -10.697 -4.669 -0.852 1.00 0.00 O ATOM 915 CB SER A 800 -10.169 -5.640 -3.732 1.00 0.00 C ATOM 916 OG SER A 800 -10.163 -6.711 -4.658 1.00 0.00 O ATOM 0 H SER A 800 -11.079 -7.171 -1.608 1.00 0.00 H new ATOM 0 HA SER A 800 -8.446 -6.237 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.195 -5.325 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.647 -4.784 -4.158 1.00 0.00 H new ATOM 0 HG SER A 800 -10.596 -6.426 -5.490 1.00 0.00 H new ATOM 922 N ARG A 801 -8.512 -4.235 -1.145 1.00 0.00 N ATOM 923 CA ARG A 801 -8.491 -3.138 -0.188 1.00 0.00 C ATOM 924 C ARG A 801 -8.915 -1.826 -0.833 1.00 0.00 C ATOM 925 O ARG A 801 -9.057 -1.734 -2.053 1.00 0.00 O ATOM 926 CB ARG A 801 -7.099 -2.987 0.414 1.00 0.00 C ATOM 927 CG ARG A 801 -6.882 -3.841 1.642 1.00 0.00 C ATOM 928 CD ARG A 801 -5.445 -4.324 1.735 1.00 0.00 C ATOM 929 NE ARG A 801 -5.098 -4.743 3.088 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.342 -4.033 3.923 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.857 -2.840 3.565 1.00 0.00 N ATOM 932 NH2 ARG A 801 -4.072 -4.518 5.128 1.00 0.00 N ATOM 0 H ARG A 801 -7.614 -4.424 -1.589 1.00 0.00 H new ATOM 0 HA ARG A 801 -9.204 -3.377 0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.355 -3.249 -0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.935 -1.941 0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -7.133 -3.268 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.554 -4.698 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -5.297 -5.157 1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.773 -3.526 1.418 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.458 -5.639 3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -4.065 -2.462 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.279 -2.308 4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -4.443 -5.426 5.407 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -3.494 -3.982 5.776 1.00 0.00 H new ATOM 946 N GLU A 802 -9.112 -0.813 0.002 1.00 0.00 N ATOM 947 CA GLU A 802 -9.517 0.505 -0.473 1.00 0.00 C ATOM 948 C GLU A 802 -8.575 1.579 0.059 1.00 0.00 C ATOM 949 O GLU A 802 -8.345 1.667 1.260 1.00 0.00 O ATOM 950 CB GLU A 802 -10.952 0.807 -0.038 1.00 0.00 C ATOM 951 CG GLU A 802 -11.982 0.578 -1.132 1.00 0.00 C ATOM 952 CD GLU A 802 -13.403 0.773 -0.641 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.700 1.857 -0.098 1.00 0.00 O ATOM 954 OE2 GLU A 802 -14.219 -0.160 -0.800 1.00 0.00 O ATOM 0 H GLU A 802 -8.998 -0.879 1.013 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.469 0.507 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -11.201 0.183 0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -11.011 1.844 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.789 1.263 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.872 -0.433 -1.524 1.00 0.00 H new ATOM 961 N VAL A 803 -8.029 2.390 -0.837 1.00 0.00 N ATOM 962 CA VAL A 803 -7.106 3.448 -0.440 1.00 0.00 C ATOM 963 C VAL A 803 -7.813 4.556 0.330 1.00 0.00 C ATOM 964 O VAL A 803 -8.901 4.990 -0.046 1.00 0.00 O ATOM 965 CB VAL A 803 -6.408 4.082 -1.658 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.298 5.019 -1.203 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.861 3.012 -2.590 1.00 0.00 C ATOM 0 H VAL A 803 -8.207 2.337 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.365 2.971 0.202 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.146 4.662 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.814 5.460 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.721 5.810 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.564 4.459 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.373 3.486 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.138 2.397 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.679 2.385 -2.944 1.00 0.00 H new ATOM 977 N ILE A 804 -7.171 5.034 1.395 1.00 0.00 N ATOM 978 CA ILE A 804 -7.728 6.119 2.194 1.00 0.00 C ATOM 979 C ILE A 804 -6.941 7.402 1.964 1.00 0.00 C ATOM 980 O ILE A 804 -7.478 8.502 2.087 1.00 0.00 O ATOM 981 CB ILE A 804 -7.751 5.812 3.712 1.00 0.00 C ATOM 982 CG1 ILE A 804 -6.949 4.552 4.053 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.183 5.683 4.194 1.00 0.00 C ATOM 984 CD1 ILE A 804 -6.894 4.258 5.537 1.00 0.00 C ATOM 0 H ILE A 804 -6.269 4.687 1.722 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.761 6.236 1.866 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.274 6.645 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.390 3.699 3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -5.933 4.663 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.189 5.467 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.715 6.617 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.676 4.872 3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.311 3.353 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.426 5.094 6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -7.905 4.115 5.917 1.00 0.00 H new ATOM 996 N ALA A 805 -5.662 7.254 1.624 1.00 0.00 N ATOM 997 CA ALA A 805 -4.807 8.404 1.373 1.00 0.00 C ATOM 998 C ALA A 805 -5.076 8.982 -0.014 1.00 0.00 C ATOM 999 O ALA A 805 -4.910 8.291 -1.020 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.337 8.019 1.504 1.00 0.00 C ATOM 0 H ALA A 805 -5.200 6.351 1.517 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.036 9.166 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.714 8.892 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.146 7.651 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.100 7.238 0.781 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.501 10.255 -0.096 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.794 10.904 -1.376 1.00 0.00 C ATOM 1008 C PRO A 806 -4.668 10.748 -2.385 1.00 0.00 C ATOM 1009 O PRO A 806 -3.540 10.403 -2.034 1.00 0.00 O ATOM 1010 CB PRO A 806 -5.963 12.372 -0.997 1.00 0.00 C ATOM 1011 CG PRO A 806 -6.449 12.329 0.402 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.741 11.164 1.042 1.00 0.00 C ATOM 0 HA PRO A 806 -6.668 10.466 -1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -5.021 12.915 -1.076 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -6.676 12.873 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -6.224 13.259 0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -7.530 12.198 0.437 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.809 11.470 1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.352 10.694 1.812 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.992 11.009 -3.641 1.00 0.00 N ATOM 1021 CA ALA A 807 -4.021 10.904 -4.724 1.00 0.00 C ATOM 1022 C ALA A 807 -3.651 12.285 -5.262 1.00 0.00 C ATOM 1023 O ALA A 807 -4.517 13.142 -5.436 1.00 0.00 O ATOM 1024 CB ALA A 807 -4.567 10.023 -5.838 1.00 0.00 C ATOM 0 H ALA A 807 -5.924 11.297 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 807 -3.115 10.444 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -3.832 9.953 -6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.772 9.027 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -5.488 10.457 -6.227 1.00 0.00 H new