USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 772 SER OG : rot -130:sc= 1.01 USER MOD Set 1.2: A 781 THR OG1 : rot 150:sc= 1.07 USER MOD Set 2.1: A 759 HIS : no HE2:sc= -2.38 K(o=-3.2,f=-9.9!) USER MOD Set 2.2: A 769 HIS : no HD1:sc= -0.835 K(o=-3.2,f=-4.9) USER MOD Set 3.1: A 737 MET CE :methyl -170:sc= -0.261 (180deg=-0.469) USER MOD Set 3.2: A 765 HIS : no HD1:sc= -0.199 X(o=-0.46,f=-0.89) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 732 MET CE :methyl -168:sc= 0 (180deg=-0.2) USER MOD Single : A 739 SER OG : rot 160:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ 157:sc= -0.0994 (180deg=-0.528) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 162:sc= -0.0179 (180deg=-0.316) USER MOD Single : A 743 GLN : amide:sc= -0.792 X(o=-0.79,f=-0.57) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0652 USER MOD Single : A 751 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 752 SER OG : rot 8:sc= 0.263 USER MOD Single : A 753 HIS : no HD1:sc= -0.0463 X(o=-0.046,f=-0.046) USER MOD Single : A 760 GLN : amide:sc= 0.325 K(o=0.32,f=-6.2!) USER MOD Single : A 771 SER OG : rot 180:sc= 0.711 USER MOD Single : A 776 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ 143:sc= 0.169 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 727 2.338 3.561 -12.341 1.00 1.00 N ATOM 25 CA ASP A 727 2.932 2.228 -12.274 1.00 1.00 C ATOM 26 C ASP A 727 3.936 2.030 -11.133 1.00 1.00 C ATOM 27 O ASP A 727 4.074 0.893 -10.685 1.00 1.00 O ATOM 28 CB ASP A 727 3.552 1.858 -13.622 1.00 1.00 C ATOM 29 CG ASP A 727 4.025 0.409 -13.625 1.00 1.00 C ATOM 30 OD1 ASP A 727 3.157 -0.498 -13.600 1.00 1.00 O ATOM 31 OD2 ASP A 727 5.245 0.161 -13.725 1.00 1.00 O ATOM 0 HA ASP A 727 2.111 1.549 -12.044 1.00 1.00 H new ATOM 0 HB2 ASP A 727 2.821 2.007 -14.416 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.392 2.519 -13.834 1.00 1.00 H new ATOM 36 N HIS A 728 4.555 3.095 -10.597 1.00 1.00 N ATOM 37 CA HIS A 728 5.506 3.013 -9.481 1.00 1.00 C ATOM 38 C HIS A 728 4.921 2.201 -8.336 1.00 1.00 C ATOM 39 O HIS A 728 5.531 1.244 -7.859 1.00 1.00 O ATOM 40 CB HIS A 728 5.848 4.402 -8.916 1.00 1.00 C ATOM 41 CG HIS A 728 6.781 5.246 -9.731 1.00 1.00 C ATOM 42 ND1 HIS A 728 7.709 4.808 -10.646 1.00 1.00 N ATOM 43 CD2 HIS A 728 6.913 6.599 -9.613 1.00 1.00 C ATOM 44 CE1 HIS A 728 8.363 5.883 -11.104 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.918 7.000 -10.500 1.00 1.00 N ATOM 0 H HIS A 728 4.406 4.047 -10.932 1.00 1.00 H new ATOM 0 HA HIS A 728 6.404 2.542 -9.881 1.00 1.00 H new ATOM 0 HB2 HIS A 728 4.918 4.954 -8.782 1.00 1.00 H new ATOM 0 HB3 HIS A 728 6.285 4.269 -7.926 1.00 1.00 H new ATOM 0 HD2 HIS A 728 6.346 7.242 -8.956 1.00 1.00 H new ATOM 0 HE1 HIS A 728 9.140 5.857 -11.854 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.248 7.952 -10.658 1.00 1.00 H new ATOM 53 N PHE A 729 3.730 2.600 -7.885 1.00 1.00 N ATOM 54 CA PHE A 729 3.088 1.953 -6.762 1.00 1.00 C ATOM 55 C PHE A 729 2.832 0.509 -7.099 1.00 1.00 C ATOM 56 O PHE A 729 3.244 -0.344 -6.324 1.00 1.00 O ATOM 57 CB PHE A 729 1.817 2.699 -6.342 1.00 1.00 C ATOM 58 CG PHE A 729 2.159 4.111 -5.932 1.00 1.00 C ATOM 59 CD1 PHE A 729 2.962 4.311 -4.796 1.00 1.00 C ATOM 60 CD2 PHE A 729 1.825 5.198 -6.762 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.484 5.582 -4.525 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.323 6.477 -6.466 1.00 1.00 C ATOM 63 CZ PHE A 729 3.168 6.665 -5.362 1.00 1.00 C ATOM 0 H PHE A 729 3.197 3.371 -8.288 1.00 1.00 H new ATOM 0 HA PHE A 729 3.750 1.983 -5.897 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.105 2.713 -7.167 1.00 1.00 H new ATOM 0 HB3 PHE A 729 1.336 2.178 -5.514 1.00 1.00 H new ATOM 0 HD1 PHE A 729 3.176 3.486 -4.133 1.00 1.00 H new ATOM 0 HD2 PHE A 729 1.189 5.049 -7.622 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.130 5.730 -3.672 1.00 1.00 H new ATOM 0 HE2 PHE A 729 2.055 7.317 -7.089 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.576 7.643 -5.155 1.00 1.00 H new ATOM 73 N ARG A 730 2.236 0.218 -8.259 1.00 1.00 N ATOM 74 CA ARG A 730 2.003 -1.165 -8.644 1.00 1.00 C ATOM 75 C ARG A 730 3.302 -1.950 -8.601 1.00 1.00 C ATOM 76 O ARG A 730 3.293 -3.023 -8.023 1.00 1.00 O ATOM 77 CB ARG A 730 1.306 -1.264 -10.011 1.00 1.00 C ATOM 78 CG ARG A 730 0.650 -2.646 -10.176 1.00 1.00 C ATOM 79 CD ARG A 730 0.234 -2.924 -11.622 1.00 1.00 C ATOM 80 NE ARG A 730 1.365 -3.372 -12.450 1.00 1.00 N ATOM 81 CZ ARG A 730 1.276 -3.805 -13.713 1.00 1.00 C ATOM 82 NH1 ARG A 730 0.145 -3.667 -14.395 1.00 1.00 N ATOM 83 NH2 ARG A 730 2.320 -4.382 -14.295 1.00 1.00 N ATOM 0 H ARG A 730 1.913 0.912 -8.933 1.00 1.00 H new ATOM 0 HA ARG A 730 1.321 -1.613 -7.921 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.551 -0.483 -10.100 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.030 -1.100 -10.809 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.346 -3.417 -9.846 1.00 1.00 H new ATOM 0 HG3 ARG A 730 -0.226 -2.709 -9.530 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -0.546 -3.685 -11.634 1.00 1.00 H new ATOM 0 HD3 ARG A 730 -0.195 -2.020 -12.055 1.00 1.00 H new ATOM 0 HE ARG A 730 2.293 -3.351 -12.027 1.00 1.00 H new ATOM 0 HH11 ARG A 730 -0.665 -3.228 -13.957 1.00 1.00 H new ATOM 0 HH12 ARG A 730 0.086 -4.000 -15.357 1.00 1.00 H new ATOM 0 HH21 ARG A 730 3.193 -4.496 -13.779 1.00 1.00 H new ATOM 0 HH22 ARG A 730 2.250 -4.711 -15.258 1.00 1.00 H new ATOM 97 N ALA A 731 4.414 -1.444 -9.130 1.00 1.00 N ATOM 98 CA ALA A 731 5.663 -2.183 -9.085 1.00 1.00 C ATOM 99 C ALA A 731 6.125 -2.428 -7.655 1.00 1.00 C ATOM 100 O ALA A 731 6.542 -3.546 -7.349 1.00 1.00 O ATOM 101 CB ALA A 731 6.737 -1.452 -9.894 1.00 1.00 C ATOM 0 H ALA A 731 4.471 -0.535 -9.589 1.00 1.00 H new ATOM 0 HA ALA A 731 5.491 -3.161 -9.535 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.669 -2.015 -9.853 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.413 -1.361 -10.931 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.895 -0.458 -9.475 1.00 1.00 H new ATOM 107 N MET A 732 6.016 -1.437 -6.770 1.00 1.00 N ATOM 108 CA MET A 732 6.375 -1.627 -5.374 1.00 1.00 C ATOM 109 C MET A 732 5.493 -2.695 -4.725 1.00 1.00 C ATOM 110 O MET A 732 6.004 -3.580 -4.034 1.00 1.00 O ATOM 111 CB MET A 732 6.297 -0.294 -4.628 1.00 1.00 C ATOM 112 CG MET A 732 7.502 0.591 -4.975 1.00 1.00 C ATOM 113 SD MET A 732 7.644 2.124 -4.019 1.00 1.00 S ATOM 114 CE MET A 732 6.254 3.080 -4.670 1.00 1.00 C ATOM 0 H MET A 732 5.683 -0.500 -6.998 1.00 1.00 H new ATOM 0 HA MET A 732 7.403 -1.984 -5.317 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.373 0.222 -4.890 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.269 -0.474 -3.553 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.412 0.008 -4.832 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.450 0.847 -6.033 1.00 1.00 H new ATOM 0 HE1 MET A 732 6.337 4.115 -4.338 1.00 1.00 H new ATOM 0 HE2 MET A 732 6.267 3.046 -5.759 1.00 1.00 H new ATOM 0 HE3 MET A 732 5.318 2.656 -4.305 1.00 1.00 H new ATOM 124 N ILE A 733 4.179 -2.643 -4.944 1.00 1.00 N ATOM 125 CA ILE A 733 3.278 -3.652 -4.401 1.00 1.00 C ATOM 126 C ILE A 733 3.548 -5.025 -5.027 1.00 1.00 C ATOM 127 O ILE A 733 3.511 -6.025 -4.321 1.00 1.00 O ATOM 128 CB ILE A 733 1.783 -3.237 -4.441 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.556 -1.762 -4.047 1.00 1.00 C ATOM 130 CG2 ILE A 733 1.002 -4.130 -3.472 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.227 -1.348 -3.425 1.00 1.00 C ATOM 0 H ILE A 733 3.719 -1.915 -5.491 1.00 1.00 H new ATOM 0 HA ILE A 733 3.501 -3.736 -3.337 1.00 1.00 H new ATOM 0 HB ILE A 733 1.439 -3.355 -5.468 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.345 -1.486 -3.347 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.699 -1.159 -4.943 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.051 -3.851 -3.488 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.106 -5.172 -3.774 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.395 -4.003 -2.463 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.242 -0.279 -3.212 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.584 -1.568 -4.119 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.071 -1.900 -2.498 1.00 1.00 H new ATOM 143 N VAL A 734 3.866 -5.109 -6.314 1.00 1.00 N ATOM 144 CA VAL A 734 4.169 -6.371 -6.984 1.00 1.00 C ATOM 145 C VAL A 734 5.468 -6.969 -6.425 1.00 1.00 C ATOM 146 O VAL A 734 5.548 -8.184 -6.233 1.00 1.00 O ATOM 147 CB VAL A 734 4.127 -6.155 -8.511 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.630 -7.348 -9.327 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.669 -5.913 -8.947 1.00 1.00 C ATOM 0 H VAL A 734 3.922 -4.297 -6.928 1.00 1.00 H new ATOM 0 HA VAL A 734 3.414 -7.130 -6.778 1.00 1.00 H new ATOM 0 HB VAL A 734 4.784 -5.307 -8.704 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.567 -7.114 -10.390 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.666 -7.559 -9.062 1.00 1.00 H new ATOM 0 HG13 VAL A 734 4.015 -8.222 -9.111 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.632 -5.760 -10.026 1.00 1.00 H new ATOM 0 HG22 VAL A 734 2.062 -6.779 -8.683 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.280 -5.029 -8.441 1.00 1.00 H new ATOM 159 N GLU A 735 6.456 -6.139 -6.093 1.00 1.00 N ATOM 160 CA GLU A 735 7.699 -6.573 -5.470 1.00 1.00 C ATOM 161 C GLU A 735 7.423 -7.115 -4.061 1.00 1.00 C ATOM 162 O GLU A 735 7.945 -8.164 -3.677 1.00 1.00 O ATOM 163 CB GLU A 735 8.660 -5.378 -5.481 1.00 1.00 C ATOM 164 CG GLU A 735 10.034 -5.664 -4.872 1.00 1.00 C ATOM 165 CD GLU A 735 10.978 -4.489 -5.118 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.270 -4.182 -6.300 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.426 -3.852 -4.137 1.00 1.00 O ATOM 0 H GLU A 735 6.412 -5.133 -6.253 1.00 1.00 H new ATOM 0 HA GLU A 735 8.160 -7.394 -6.018 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.795 -5.046 -6.510 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.200 -4.553 -4.937 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.935 -5.842 -3.801 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.451 -6.572 -5.308 1.00 1.00 H new ATOM 174 N PHE A 736 6.569 -6.422 -3.306 1.00 1.00 N ATOM 175 CA PHE A 736 6.102 -6.826 -1.987 1.00 1.00 C ATOM 176 C PHE A 736 5.335 -8.147 -2.062 1.00 1.00 C ATOM 177 O PHE A 736 5.618 -9.048 -1.278 1.00 1.00 O ATOM 178 CB PHE A 736 5.261 -5.681 -1.415 1.00 1.00 C ATOM 179 CG PHE A 736 4.449 -5.940 -0.158 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.996 -6.612 0.953 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.129 -5.454 -0.093 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.215 -6.814 2.105 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.351 -5.651 1.057 1.00 1.00 C ATOM 184 CZ PHE A 736 2.892 -6.347 2.148 1.00 1.00 C ATOM 0 H PHE A 736 6.172 -5.533 -3.611 1.00 1.00 H new ATOM 0 HA PHE A 736 6.942 -7.012 -1.318 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.932 -4.846 -1.211 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.572 -5.354 -2.194 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.014 -6.972 0.920 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.712 -4.925 -0.937 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.633 -7.329 2.957 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.342 -5.269 1.102 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.288 -6.524 3.025 1.00 1.00 H new ATOM 194 N MET A 737 4.414 -8.294 -3.017 1.00 1.00 N ATOM 195 CA MET A 737 3.641 -9.504 -3.276 1.00 1.00 C ATOM 196 C MET A 737 4.565 -10.690 -3.539 1.00 1.00 C ATOM 197 O MET A 737 4.423 -11.723 -2.888 1.00 1.00 O ATOM 198 CB MET A 737 2.692 -9.283 -4.462 1.00 1.00 C ATOM 199 CG MET A 737 1.472 -8.411 -4.137 1.00 1.00 C ATOM 200 SD MET A 737 0.032 -9.274 -3.452 1.00 1.00 S ATOM 201 CE MET A 737 -0.440 -10.296 -4.870 1.00 1.00 C ATOM 0 H MET A 737 4.178 -7.537 -3.658 1.00 1.00 H new ATOM 0 HA MET A 737 3.045 -9.730 -2.392 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.249 -8.820 -5.277 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.346 -10.252 -4.822 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.779 -7.642 -3.429 1.00 1.00 H new ATOM 0 HG3 MET A 737 1.163 -7.900 -5.049 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.410 -10.756 -4.680 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.502 -9.674 -5.763 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.307 -11.075 -5.022 1.00 1.00 H new ATOM 211 N ALA A 738 5.543 -10.522 -4.434 1.00 1.00 N ATOM 212 CA ALA A 738 6.486 -11.570 -4.808 1.00 1.00 C ATOM 213 C ALA A 738 7.305 -12.056 -3.608 1.00 1.00 C ATOM 214 O ALA A 738 7.848 -13.164 -3.639 1.00 1.00 O ATOM 215 CB ALA A 738 7.420 -11.050 -5.907 1.00 1.00 C ATOM 0 H ALA A 738 5.701 -9.641 -4.923 1.00 1.00 H new ATOM 0 HA ALA A 738 5.915 -12.421 -5.179 1.00 1.00 H new ATOM 0 HB1 ALA A 738 8.125 -11.833 -6.186 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.832 -10.763 -6.779 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.968 -10.183 -5.538 1.00 1.00 H new ATOM 221 N SER A 739 7.451 -11.227 -2.574 1.00 1.00 N ATOM 222 CA SER A 739 8.179 -11.561 -1.362 1.00 1.00 C ATOM 223 C SER A 739 7.247 -12.071 -0.251 1.00 1.00 C ATOM 224 O SER A 739 7.630 -12.969 0.498 1.00 1.00 O ATOM 225 CB SER A 739 8.936 -10.301 -0.918 1.00 1.00 C ATOM 226 OG SER A 739 10.130 -10.652 -0.255 1.00 1.00 O ATOM 0 H SER A 739 7.056 -10.287 -2.561 1.00 1.00 H new ATOM 0 HA SER A 739 8.875 -12.375 -1.563 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.163 -9.681 -1.785 1.00 1.00 H new ATOM 0 HB3 SER A 739 8.307 -9.705 -0.256 1.00 1.00 H new ATOM 0 HG SER A 739 10.745 -9.889 -0.263 1.00 1.00 H new ATOM 232 N LYS A 740 6.033 -11.514 -0.141 1.00 1.00 N ATOM 233 CA LYS A 740 5.035 -11.758 0.902 1.00 1.00 C ATOM 234 C LYS A 740 5.699 -11.789 2.274 1.00 1.00 C ATOM 235 O LYS A 740 5.691 -12.808 2.963 1.00 1.00 O ATOM 236 CB LYS A 740 4.025 -12.884 0.610 1.00 1.00 C ATOM 237 CG LYS A 740 4.547 -14.317 0.447 1.00 1.00 C ATOM 238 CD LYS A 740 4.857 -14.671 -1.014 1.00 1.00 C ATOM 239 CE LYS A 740 5.033 -16.180 -1.194 1.00 1.00 C ATOM 240 NZ LYS A 740 3.794 -16.926 -0.882 1.00 1.00 N ATOM 0 H LYS A 740 5.703 -10.835 -0.827 1.00 1.00 H new ATOM 0 HA LYS A 740 4.360 -10.903 0.905 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.293 -12.889 1.417 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.491 -12.621 -0.303 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.449 -14.441 1.046 1.00 1.00 H new ATOM 0 HG3 LYS A 740 3.807 -15.016 0.837 1.00 1.00 H new ATOM 0 HD2 LYS A 740 4.050 -14.318 -1.655 1.00 1.00 H new ATOM 0 HD3 LYS A 740 5.764 -14.156 -1.331 1.00 1.00 H new ATOM 0 HE2 LYS A 740 5.333 -16.390 -2.221 1.00 1.00 H new ATOM 0 HE3 LYS A 740 5.839 -16.530 -0.549 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 3.812 -17.846 -1.366 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 3.729 -17.076 0.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 2.970 -16.381 -1.205 1.00 1.00 H new ATOM 253 N LYS A 741 6.330 -10.669 2.642 1.00 1.00 N ATOM 254 CA LYS A 741 6.983 -10.514 3.931 1.00 1.00 C ATOM 255 C LYS A 741 5.922 -10.507 5.030 1.00 1.00 C ATOM 256 O LYS A 741 5.589 -11.568 5.551 1.00 1.00 O ATOM 257 CB LYS A 741 7.812 -9.216 3.887 1.00 1.00 C ATOM 258 CG LYS A 741 9.111 -9.421 3.099 1.00 1.00 C ATOM 259 CD LYS A 741 10.051 -8.223 3.283 1.00 1.00 C ATOM 260 CE LYS A 741 11.370 -8.374 2.515 1.00 1.00 C ATOM 261 NZ LYS A 741 12.239 -9.449 3.033 1.00 1.00 N ATOM 0 H LYS A 741 6.398 -9.844 2.045 1.00 1.00 H new ATOM 0 HA LYS A 741 7.659 -11.340 4.150 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.225 -8.421 3.427 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.045 -8.894 4.902 1.00 1.00 H new ATOM 0 HG2 LYS A 741 9.606 -10.333 3.434 1.00 1.00 H new ATOM 0 HG3 LYS A 741 8.884 -9.552 2.041 1.00 1.00 H new ATOM 0 HD2 LYS A 741 9.545 -7.317 2.951 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.267 -8.097 4.344 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.149 -8.572 1.466 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.913 -7.430 2.554 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.111 -9.494 2.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.480 -9.253 4.026 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 11.740 -10.359 2.971 1.00 1.00 H new ATOM 274 N MET A 742 5.284 -9.360 5.265 1.00 1.00 N ATOM 275 CA MET A 742 4.179 -9.170 6.199 1.00 1.00 C ATOM 276 C MET A 742 3.428 -7.915 5.767 1.00 1.00 C ATOM 277 O MET A 742 2.289 -8.017 5.324 1.00 1.00 O ATOM 278 CB MET A 742 4.673 -9.006 7.653 1.00 1.00 C ATOM 279 CG MET A 742 5.017 -10.294 8.408 1.00 1.00 C ATOM 280 SD MET A 742 3.585 -11.302 8.900 1.00 1.00 S ATOM 281 CE MET A 742 3.640 -12.640 7.678 1.00 1.00 C ATOM 0 H MET A 742 5.538 -8.497 4.784 1.00 1.00 H new ATOM 0 HA MET A 742 3.535 -10.049 6.179 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.558 -8.370 7.643 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.905 -8.475 8.216 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.671 -10.901 7.782 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.583 -10.033 9.302 1.00 1.00 H new ATOM 0 HE1 MET A 742 3.045 -13.482 8.033 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.236 -12.284 6.730 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.672 -12.960 7.535 1.00 1.00 H new ATOM 291 N GLN A 743 4.058 -6.739 5.851 1.00 1.00 N ATOM 292 CA GLN A 743 3.446 -5.456 5.518 1.00 1.00 C ATOM 293 C GLN A 743 4.447 -4.532 4.830 1.00 1.00 C ATOM 294 O GLN A 743 5.657 -4.779 4.864 1.00 1.00 O ATOM 295 CB GLN A 743 2.808 -4.802 6.765 1.00 1.00 C ATOM 296 CG GLN A 743 3.786 -4.189 7.783 1.00 1.00 C ATOM 297 CD GLN A 743 4.734 -5.233 8.355 1.00 1.00 C ATOM 298 OE1 GLN A 743 4.350 -6.041 9.198 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.957 -5.287 7.862 1.00 1.00 N ATOM 0 H GLN A 743 5.027 -6.654 6.159 1.00 1.00 H new ATOM 0 HA GLN A 743 2.640 -5.638 4.807 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.126 -4.020 6.431 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.206 -5.553 7.277 1.00 1.00 H new ATOM 0 HG2 GLN A 743 4.363 -3.399 7.303 1.00 1.00 H new ATOM 0 HG3 GLN A 743 3.224 -3.726 8.594 1.00 1.00 H new ATOM 0 HE21 GLN A 743 6.256 -4.607 7.163 1.00 1.00 H new ATOM 0 HE22 GLN A 743 6.604 -6.009 8.180 1.00 1.00 H new ATOM 308 N LEU A 744 3.938 -3.463 4.226 1.00 1.00 N ATOM 309 CA LEU A 744 4.696 -2.391 3.605 1.00 1.00 C ATOM 310 C LEU A 744 3.951 -1.115 3.988 1.00 1.00 C ATOM 311 O LEU A 744 2.744 -0.994 3.757 1.00 1.00 O ATOM 312 CB LEU A 744 4.786 -2.595 2.081 1.00 1.00 C ATOM 313 CG LEU A 744 5.796 -1.678 1.350 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.858 -2.086 -0.123 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.477 -0.183 1.410 1.00 1.00 C ATOM 0 H LEU A 744 2.931 -3.317 4.155 1.00 1.00 H new ATOM 0 HA LEU A 744 5.731 -2.353 3.943 1.00 1.00 H new ATOM 0 HB2 LEU A 744 5.055 -3.633 1.885 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.797 -2.435 1.650 1.00 1.00 H new ATOM 0 HG LEU A 744 6.744 -1.814 1.871 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.567 -1.446 -0.648 1.00 1.00 H new ATOM 0 HD12 LEU A 744 6.180 -3.124 -0.200 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.871 -1.979 -0.572 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.242 0.374 0.869 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.504 0.000 0.954 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.457 0.143 2.450 1.00 1.00 H new ATOM 327 N GLU A 745 4.650 -0.195 4.640 1.00 1.00 N ATOM 328 CA GLU A 745 4.172 1.091 5.067 1.00 1.00 C ATOM 329 C GLU A 745 4.539 2.095 3.966 1.00 1.00 C ATOM 330 O GLU A 745 5.722 2.368 3.730 1.00 1.00 O ATOM 331 CB GLU A 745 4.885 1.395 6.389 1.00 1.00 C ATOM 332 CG GLU A 745 4.567 0.376 7.503 1.00 1.00 C ATOM 333 CD GLU A 745 5.219 0.743 8.842 1.00 1.00 C ATOM 334 OE1 GLU A 745 6.349 1.285 8.856 1.00 1.00 O ATOM 335 OE2 GLU A 745 4.610 0.469 9.899 1.00 1.00 O ATOM 0 H GLU A 745 5.626 -0.348 4.895 1.00 1.00 H new ATOM 0 HA GLU A 745 3.094 1.135 5.225 1.00 1.00 H new ATOM 0 HB2 GLU A 745 5.961 1.411 6.218 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.601 2.392 6.726 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.487 0.312 7.634 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.909 -0.612 7.195 1.00 1.00 H new ATOM 342 N PHE A 746 3.535 2.649 3.293 1.00 1.00 N ATOM 343 CA PHE A 746 3.678 3.665 2.258 1.00 1.00 C ATOM 344 C PHE A 746 3.519 5.039 2.951 1.00 1.00 C ATOM 345 O PHE A 746 2.704 5.168 3.869 1.00 1.00 O ATOM 346 CB PHE A 746 2.653 3.400 1.139 1.00 1.00 C ATOM 347 CG PHE A 746 3.027 2.319 0.130 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.111 2.521 -0.748 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.279 1.127 0.026 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.449 1.551 -1.704 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.605 0.168 -0.948 1.00 1.00 C ATOM 352 CZ PHE A 746 3.686 0.381 -1.818 1.00 1.00 C ATOM 0 H PHE A 746 2.562 2.392 3.461 1.00 1.00 H new ATOM 0 HA PHE A 746 4.653 3.644 1.772 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.704 3.125 1.600 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.487 4.332 0.598 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.688 3.432 -0.684 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.452 0.951 0.698 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.298 1.706 -2.353 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.021 -0.737 -1.028 1.00 1.00 H new ATOM 0 HZ PHE A 746 3.929 -0.353 -2.572 1.00 1.00 H new ATOM 362 N PRO A 747 4.260 6.079 2.531 1.00 1.00 N ATOM 363 CA PRO A 747 4.275 7.384 3.197 1.00 1.00 C ATOM 364 C PRO A 747 2.978 8.208 3.072 1.00 1.00 C ATOM 365 O PRO A 747 2.168 7.973 2.177 1.00 1.00 O ATOM 366 CB PRO A 747 5.458 8.117 2.546 1.00 1.00 C ATOM 367 CG PRO A 747 5.510 7.544 1.136 1.00 1.00 C ATOM 368 CD PRO A 747 5.144 6.082 1.374 1.00 1.00 C ATOM 0 HA PRO A 747 4.367 7.248 4.275 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.302 9.196 2.534 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.387 7.935 3.086 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.804 8.038 0.469 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.498 7.650 0.689 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.648 5.656 0.502 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.034 5.481 1.560 1.00 1.00 H new ATOM 376 N PRO A 748 2.785 9.241 3.917 1.00 1.00 N ATOM 377 CA PRO A 748 1.654 10.156 3.813 1.00 1.00 C ATOM 378 C PRO A 748 1.750 11.045 2.578 1.00 1.00 C ATOM 379 O PRO A 748 0.719 11.561 2.148 1.00 1.00 O ATOM 380 CB PRO A 748 1.670 11.020 5.068 1.00 1.00 C ATOM 381 CG PRO A 748 3.124 10.971 5.531 1.00 1.00 C ATOM 382 CD PRO A 748 3.617 9.609 5.051 1.00 1.00 C ATOM 0 HA PRO A 748 0.729 9.587 3.720 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.353 12.041 4.854 1.00 1.00 H new ATOM 0 HB3 PRO A 748 0.995 10.630 5.830 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.709 11.783 5.098 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.202 11.065 6.614 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.667 9.657 4.762 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.539 8.867 5.846 1.00 1.00 H new ATOM 390 N SER A 749 2.960 11.259 2.042 1.00 1.00 N ATOM 391 CA SER A 749 3.265 12.147 0.923 1.00 1.00 C ATOM 392 C SER A 749 2.339 11.928 -0.277 1.00 1.00 C ATOM 393 O SER A 749 2.125 12.855 -1.061 1.00 1.00 O ATOM 394 CB SER A 749 4.715 11.919 0.486 1.00 1.00 C ATOM 395 OG SER A 749 5.603 11.751 1.582 1.00 1.00 O ATOM 0 H SER A 749 3.792 10.790 2.400 1.00 1.00 H new ATOM 0 HA SER A 749 3.113 13.170 1.267 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.762 11.036 -0.152 1.00 1.00 H new ATOM 0 HB3 SER A 749 5.045 12.766 -0.116 1.00 1.00 H new ATOM 0 HG SER A 749 6.513 11.607 1.247 1.00 1.00 H new ATOM 401 N LEU A 750 1.811 10.706 -0.415 1.00 1.00 N ATOM 402 CA LEU A 750 0.828 10.310 -1.406 1.00 1.00 C ATOM 403 C LEU A 750 -0.329 11.294 -1.303 1.00 1.00 C ATOM 404 O LEU A 750 -1.029 11.346 -0.293 1.00 1.00 O ATOM 405 CB LEU A 750 0.446 8.837 -1.171 1.00 1.00 C ATOM 406 CG LEU A 750 1.417 7.771 -1.752 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.648 8.343 -2.469 1.00 1.00 C ATOM 408 CD2 LEU A 750 1.895 6.749 -0.727 1.00 1.00 C ATOM 0 H LEU A 750 2.077 9.935 0.197 1.00 1.00 H new ATOM 0 HA LEU A 750 1.202 10.352 -2.429 1.00 1.00 H new ATOM 0 HB2 LEU A 750 0.361 8.673 -0.097 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.543 8.668 -1.598 1.00 1.00 H new ATOM 0 HG LEU A 750 0.789 7.275 -2.492 1.00 1.00 H new ATOM 0 HD11 LEU A 750 3.266 7.525 -2.840 1.00 1.00 H new ATOM 0 HD12 LEU A 750 2.326 8.963 -3.306 1.00 1.00 H new ATOM 0 HD13 LEU A 750 3.227 8.947 -1.771 1.00 1.00 H new ATOM 0 HD21 LEU A 750 2.568 6.039 -1.208 1.00 1.00 H new ATOM 0 HD22 LEU A 750 2.422 7.261 0.079 1.00 1.00 H new ATOM 0 HD23 LEU A 750 1.037 6.215 -0.318 1.00 1.00 H new ATOM 420 N ASN A 751 -0.504 12.074 -2.372 1.00 1.00 N ATOM 421 CA ASN A 751 -1.468 13.159 -2.417 1.00 1.00 C ATOM 422 C ASN A 751 -2.902 12.669 -2.260 1.00 1.00 C ATOM 423 O ASN A 751 -3.518 12.880 -1.217 1.00 1.00 O ATOM 424 CB ASN A 751 -1.283 13.955 -3.704 1.00 1.00 C ATOM 425 CG ASN A 751 -0.079 14.842 -3.538 1.00 1.00 C ATOM 426 OD1 ASN A 751 -0.136 15.861 -2.857 1.00 1.00 O ATOM 427 ND2 ASN A 751 1.060 14.418 -4.032 1.00 1.00 N ATOM 0 H ASN A 751 0.028 11.964 -3.235 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.281 13.814 -1.566 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.146 13.282 -4.551 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.170 14.553 -3.912 1.00 1.00 H new ATOM 0 HD21 ASN A 751 1.919 14.938 -3.852 1.00 1.00 H new ATOM 0 HD22 ASN A 751 1.087 13.568 -4.596 1.00 1.00 H new ATOM 434 N SER A 752 -3.427 12.008 -3.292 1.00 1.00 N ATOM 435 CA SER A 752 -4.734 11.370 -3.288 1.00 1.00 C ATOM 436 C SER A 752 -4.651 10.130 -4.166 1.00 1.00 C ATOM 437 O SER A 752 -4.676 9.017 -3.646 1.00 1.00 O ATOM 438 CB SER A 752 -5.835 12.335 -3.744 1.00 1.00 C ATOM 439 OG SER A 752 -6.064 13.336 -2.763 1.00 1.00 O ATOM 0 H SER A 752 -2.935 11.901 -4.179 1.00 1.00 H new ATOM 0 HA SER A 752 -5.006 11.077 -2.274 1.00 1.00 H new ATOM 0 HB2 SER A 752 -5.549 12.802 -4.687 1.00 1.00 H new ATOM 0 HB3 SER A 752 -6.756 11.782 -3.929 1.00 1.00 H new ATOM 0 HG SER A 752 -5.384 13.268 -2.061 1.00 1.00 H new ATOM 445 N HIS A 753 -4.446 10.323 -5.478 1.00 1.00 N ATOM 446 CA HIS A 753 -4.446 9.244 -6.464 1.00 1.00 C ATOM 447 C HIS A 753 -3.491 8.120 -6.083 1.00 1.00 C ATOM 448 O HIS A 753 -3.791 6.956 -6.299 1.00 1.00 O ATOM 449 CB HIS A 753 -3.992 9.746 -7.844 1.00 1.00 C ATOM 450 CG HIS A 753 -4.675 10.966 -8.398 1.00 1.00 C ATOM 451 ND1 HIS A 753 -4.104 12.214 -8.514 1.00 1.00 N ATOM 452 CD2 HIS A 753 -5.875 10.993 -9.054 1.00 1.00 C ATOM 453 CE1 HIS A 753 -4.946 12.988 -9.214 1.00 1.00 C ATOM 454 NE2 HIS A 753 -6.031 12.283 -9.582 1.00 1.00 N ATOM 0 H HIS A 753 -4.274 11.243 -5.883 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.473 8.880 -6.494 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -2.923 9.953 -7.792 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.124 8.933 -8.558 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -6.572 10.174 -9.148 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -4.777 14.029 -9.449 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -6.816 12.622 -10.138 1.00 1.00 H new ATOM 462 N ASP A 754 -2.334 8.474 -5.538 1.00 1.00 N ATOM 463 CA ASP A 754 -1.243 7.592 -5.199 1.00 1.00 C ATOM 464 C ASP A 754 -1.711 6.617 -4.110 1.00 1.00 C ATOM 465 O ASP A 754 -1.642 5.400 -4.266 1.00 1.00 O ATOM 466 CB ASP A 754 -0.076 8.468 -4.715 1.00 1.00 C ATOM 467 CG ASP A 754 0.153 9.780 -5.465 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.685 10.702 -5.290 1.00 1.00 O ATOM 469 OD2 ASP A 754 1.169 9.941 -6.172 1.00 1.00 O ATOM 0 H ASP A 754 -2.128 9.447 -5.310 1.00 1.00 H new ATOM 0 HA ASP A 754 -0.916 7.001 -6.054 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.239 8.701 -3.663 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.839 7.879 -4.773 1.00 1.00 H new ATOM 474 N ARG A 755 -2.244 7.157 -3.010 1.00 1.00 N ATOM 475 CA ARG A 755 -2.768 6.407 -1.869 1.00 1.00 C ATOM 476 C ARG A 755 -3.997 5.605 -2.289 1.00 1.00 C ATOM 477 O ARG A 755 -4.114 4.437 -1.926 1.00 1.00 O ATOM 478 CB ARG A 755 -3.066 7.409 -0.742 1.00 1.00 C ATOM 479 CG ARG A 755 -3.770 6.790 0.463 1.00 1.00 C ATOM 480 CD ARG A 755 -3.709 7.780 1.640 1.00 1.00 C ATOM 481 NE ARG A 755 -4.368 7.242 2.837 1.00 1.00 N ATOM 482 CZ ARG A 755 -5.687 7.087 2.987 1.00 1.00 C ATOM 483 NH1 ARG A 755 -6.540 7.602 2.111 1.00 1.00 N ATOM 484 NH2 ARG A 755 -6.159 6.422 4.027 1.00 1.00 N ATOM 0 H ARG A 755 -2.324 8.166 -2.887 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.041 5.682 -1.503 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.130 7.859 -0.412 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -3.685 8.214 -1.138 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.807 6.561 0.217 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.292 5.849 0.737 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -2.668 8.009 1.869 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -4.186 8.717 1.352 1.00 1.00 H new ATOM 0 HE ARG A 755 -3.771 6.964 3.616 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -6.192 8.126 1.308 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -7.544 7.474 2.241 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -5.517 6.028 4.714 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -7.165 6.303 4.142 1.00 1.00 H new ATOM 498 N LEU A 756 -4.892 6.212 -3.066 1.00 1.00 N ATOM 499 CA LEU A 756 -6.060 5.552 -3.628 1.00 1.00 C ATOM 500 C LEU A 756 -5.631 4.326 -4.436 1.00 1.00 C ATOM 501 O LEU A 756 -6.191 3.245 -4.278 1.00 1.00 O ATOM 502 CB LEU A 756 -6.813 6.559 -4.475 1.00 1.00 C ATOM 503 CG LEU A 756 -8.113 6.036 -5.108 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.267 6.108 -4.105 1.00 1.00 C ATOM 505 CD2 LEU A 756 -8.442 6.864 -6.352 1.00 1.00 C ATOM 0 H LEU A 756 -4.821 7.196 -3.325 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.721 5.195 -2.838 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.051 7.425 -3.857 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.154 6.907 -5.271 1.00 1.00 H new ATOM 0 HG LEU A 756 -7.974 4.993 -5.393 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.178 5.734 -4.571 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -9.029 5.499 -3.233 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.416 7.142 -3.796 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -9.363 6.494 -6.802 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -8.570 7.909 -6.070 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -7.628 6.779 -7.071 1.00 1.00 H new ATOM 517 N ARG A 757 -4.613 4.473 -5.285 1.00 1.00 N ATOM 518 CA ARG A 757 -4.063 3.382 -6.069 1.00 1.00 C ATOM 519 C ARG A 757 -3.529 2.290 -5.146 1.00 1.00 C ATOM 520 O ARG A 757 -3.844 1.131 -5.384 1.00 1.00 O ATOM 521 CB ARG A 757 -3.007 3.918 -7.039 1.00 1.00 C ATOM 522 CG ARG A 757 -2.658 2.930 -8.150 1.00 1.00 C ATOM 523 CD ARG A 757 -3.699 2.930 -9.275 1.00 1.00 C ATOM 524 NE ARG A 757 -3.503 1.763 -10.145 1.00 1.00 N ATOM 525 CZ ARG A 757 -4.000 0.539 -9.947 1.00 1.00 C ATOM 526 NH1 ARG A 757 -5.008 0.349 -9.100 1.00 1.00 N ATOM 527 NH2 ARG A 757 -3.461 -0.489 -10.593 1.00 1.00 N ATOM 0 H ARG A 757 -4.146 5.366 -5.445 1.00 1.00 H new ATOM 0 HA ARG A 757 -4.846 2.925 -6.674 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.369 4.844 -7.485 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.103 4.164 -6.483 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -1.681 3.180 -8.562 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.580 1.927 -7.730 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.703 2.913 -8.852 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -3.615 3.847 -9.859 1.00 1.00 H new ATOM 0 HE ARG A 757 -2.933 1.900 -10.980 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -5.407 1.141 -8.596 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -5.382 -0.589 -8.954 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -2.679 -0.338 -11.230 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -3.829 -1.430 -10.452 1.00 1.00 H new ATOM 541 N VAL A 758 -2.765 2.620 -4.101 1.00 1.00 N ATOM 542 CA VAL A 758 -2.292 1.622 -3.139 1.00 1.00 C ATOM 543 C VAL A 758 -3.484 0.821 -2.586 1.00 1.00 C ATOM 544 O VAL A 758 -3.448 -0.413 -2.620 1.00 1.00 O ATOM 545 CB VAL A 758 -1.435 2.294 -2.037 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.114 1.360 -0.861 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.102 2.816 -2.602 1.00 1.00 C ATOM 0 H VAL A 758 -2.461 3.573 -3.900 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.637 0.907 -3.637 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.047 3.118 -1.670 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.512 1.894 -0.126 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -2.042 1.027 -0.397 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.560 0.495 -1.224 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.475 3.281 -1.803 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.465 1.985 -3.022 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.300 3.551 -3.382 1.00 1.00 H new ATOM 557 N HIS A 759 -4.546 1.497 -2.122 1.00 1.00 N ATOM 558 CA HIS A 759 -5.753 0.843 -1.622 1.00 1.00 C ATOM 559 C HIS A 759 -6.358 -0.098 -2.669 1.00 1.00 C ATOM 560 O HIS A 759 -6.707 -1.231 -2.347 1.00 1.00 O ATOM 561 CB HIS A 759 -6.810 1.876 -1.203 1.00 1.00 C ATOM 562 CG HIS A 759 -6.529 2.622 0.076 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.473 2.081 1.339 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.377 3.974 0.203 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.260 3.079 2.214 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.212 4.257 1.564 1.00 1.00 N ATOM 0 H HIS A 759 -4.587 2.516 -2.085 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.456 0.258 -0.752 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.920 2.602 -2.008 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.768 1.366 -1.101 1.00 1.00 H new ATOM 0 HD1 HIS A 759 -6.575 1.093 1.572 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.383 4.694 -0.602 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -6.144 2.954 3.281 1.00 1.00 H new ATOM 574 N GLN A 760 -6.521 0.370 -3.906 1.00 1.00 N ATOM 575 CA GLN A 760 -7.109 -0.376 -5.010 1.00 1.00 C ATOM 576 C GLN A 760 -6.339 -1.665 -5.285 1.00 1.00 C ATOM 577 O GLN A 760 -6.934 -2.734 -5.216 1.00 1.00 O ATOM 578 CB GLN A 760 -7.105 0.507 -6.264 1.00 1.00 C ATOM 579 CG GLN A 760 -8.176 1.602 -6.336 1.00 1.00 C ATOM 580 CD GLN A 760 -7.896 2.547 -7.508 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.015 2.311 -8.338 1.00 1.00 O ATOM 582 NE2 GLN A 760 -8.637 3.633 -7.641 1.00 1.00 N ATOM 0 H GLN A 760 -6.236 1.312 -4.173 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.130 -0.649 -4.741 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.127 0.981 -6.344 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.218 -0.138 -7.135 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.161 1.149 -6.453 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.193 2.165 -5.403 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -9.368 3.838 -6.960 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -8.478 4.266 -8.424 1.00 1.00 H new ATOM 591 N ILE A 761 -5.042 -1.588 -5.596 1.00 1.00 N ATOM 592 CA ILE A 761 -4.174 -2.729 -5.844 1.00 1.00 C ATOM 593 C ILE A 761 -4.278 -3.724 -4.684 1.00 1.00 C ATOM 594 O ILE A 761 -4.402 -4.929 -4.904 1.00 1.00 O ATOM 595 CB ILE A 761 -2.737 -2.197 -6.030 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.689 -1.182 -7.187 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.750 -3.350 -6.291 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.354 -0.445 -7.321 1.00 1.00 C ATOM 0 H ILE A 761 -4.556 -0.695 -5.684 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.472 -3.264 -6.746 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.439 -1.697 -5.108 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.899 -1.703 -8.121 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.483 -0.449 -7.045 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.745 -2.947 -6.418 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.761 -4.037 -5.445 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -2.044 -3.883 -7.195 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.405 0.250 -8.159 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.149 0.107 -6.404 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.556 -1.167 -7.496 1.00 1.00 H new ATOM 610 N ALA A 762 -4.235 -3.226 -3.448 1.00 1.00 N ATOM 611 CA ALA A 762 -4.359 -4.080 -2.282 1.00 1.00 C ATOM 612 C ALA A 762 -5.682 -4.841 -2.258 1.00 1.00 C ATOM 613 O ALA A 762 -5.693 -6.026 -1.914 1.00 1.00 O ATOM 614 CB ALA A 762 -4.147 -3.245 -1.017 1.00 1.00 C ATOM 0 H ALA A 762 -4.115 -2.236 -3.236 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.585 -4.846 -2.328 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -4.240 -3.884 -0.139 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -3.153 -2.799 -1.038 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.898 -2.456 -0.972 1.00 1.00 H new ATOM 620 N GLU A 763 -6.774 -4.175 -2.622 1.00 1.00 N ATOM 621 CA GLU A 763 -8.101 -4.767 -2.613 1.00 1.00 C ATOM 622 C GLU A 763 -8.231 -5.767 -3.770 1.00 1.00 C ATOM 623 O GLU A 763 -8.919 -6.776 -3.640 1.00 1.00 O ATOM 624 CB GLU A 763 -9.121 -3.622 -2.789 1.00 1.00 C ATOM 625 CG GLU A 763 -10.465 -3.832 -2.095 1.00 1.00 C ATOM 626 CD GLU A 763 -11.222 -5.089 -2.508 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.732 -5.136 -3.654 1.00 1.00 O ATOM 628 OE2 GLU A 763 -11.388 -5.973 -1.638 1.00 1.00 O ATOM 0 H GLU A 763 -6.759 -3.204 -2.933 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.280 -5.299 -1.679 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.677 -2.701 -2.413 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -9.300 -3.477 -3.854 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.298 -3.866 -1.018 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -11.097 -2.966 -2.293 1.00 1.00 H new ATOM 635 N GLU A 764 -7.570 -5.495 -4.898 1.00 1.00 N ATOM 636 CA GLU A 764 -7.545 -6.329 -6.073 1.00 1.00 C ATOM 637 C GLU A 764 -6.855 -7.660 -5.767 1.00 1.00 C ATOM 638 O GLU A 764 -7.340 -8.717 -6.174 1.00 1.00 O ATOM 639 CB GLU A 764 -6.794 -5.567 -7.172 1.00 1.00 C ATOM 640 CG GLU A 764 -7.151 -6.131 -8.538 1.00 1.00 C ATOM 641 CD GLU A 764 -6.041 -5.887 -9.558 1.00 1.00 C ATOM 642 OE1 GLU A 764 -5.689 -4.717 -9.857 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.514 -6.875 -10.109 1.00 1.00 O ATOM 0 H GLU A 764 -7.017 -4.645 -5.008 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.560 -6.555 -6.401 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.049 -4.508 -7.130 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.719 -5.643 -7.008 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -7.337 -7.202 -8.452 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -8.076 -5.674 -8.890 1.00 1.00 H new ATOM 650 N HIS A 765 -5.722 -7.621 -5.064 1.00 1.00 N ATOM 651 CA HIS A 765 -4.998 -8.783 -4.604 1.00 1.00 C ATOM 652 C HIS A 765 -5.677 -9.271 -3.324 1.00 1.00 C ATOM 653 O HIS A 765 -6.893 -9.195 -3.168 1.00 1.00 O ATOM 654 CB HIS A 765 -3.522 -8.417 -4.429 1.00 1.00 C ATOM 655 CG HIS A 765 -2.884 -7.946 -5.705 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.903 -8.564 -6.936 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.216 -6.770 -5.842 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.265 -7.756 -7.795 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.821 -6.649 -7.179 1.00 1.00 N ATOM 0 H HIS A 765 -5.277 -6.744 -4.795 1.00 1.00 H new ATOM 0 HA HIS A 765 -5.019 -9.604 -5.321 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.433 -7.636 -3.674 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.979 -9.285 -4.055 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -2.024 -6.054 -5.056 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -2.126 -7.968 -8.845 1.00 1.00 H new ATOM 0 HE2 HIS A 765 -1.302 -5.878 -7.599 1.00 1.00 H new ATOM 667 N GLY A 766 -4.896 -9.847 -2.427 1.00 1.00 N ATOM 668 CA GLY A 766 -5.267 -10.306 -1.120 1.00 1.00 C ATOM 669 C GLY A 766 -4.485 -9.527 -0.083 1.00 1.00 C ATOM 670 O GLY A 766 -3.747 -10.131 0.704 1.00 1.00 O ATOM 0 H GLY A 766 -3.908 -10.014 -2.620 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.337 -10.172 -0.964 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -5.062 -11.372 -1.023 1.00 1.00 H new ATOM 674 N LEU A 767 -4.589 -8.191 -0.105 1.00 1.00 N ATOM 675 CA LEU A 767 -3.927 -7.379 0.902 1.00 1.00 C ATOM 676 C LEU A 767 -4.958 -6.656 1.743 1.00 1.00 C ATOM 677 O LEU A 767 -6.054 -6.342 1.274 1.00 1.00 O ATOM 678 CB LEU A 767 -3.029 -6.305 0.275 1.00 1.00 C ATOM 679 CG LEU A 767 -2.024 -6.747 -0.783 1.00 1.00 C ATOM 680 CD1 LEU A 767 -1.111 -5.600 -1.204 1.00 1.00 C ATOM 681 CD2 LEU A 767 -1.124 -7.834 -0.235 1.00 1.00 C ATOM 0 H LEU A 767 -5.118 -7.665 -0.800 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.322 -8.059 1.502 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.674 -5.548 -0.171 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.477 -5.819 1.079 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.607 -7.100 -1.634 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.408 -5.953 -1.959 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.712 -4.790 -1.618 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.560 -5.237 -0.337 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.412 -8.138 -1.002 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.583 -7.455 0.632 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.728 -8.692 0.061 1.00 1.00 H new ATOM 693 N ARG A 768 -4.582 -6.352 2.979 1.00 1.00 N ATOM 694 CA ARG A 768 -5.392 -5.557 3.878 1.00 1.00 C ATOM 695 C ARG A 768 -4.752 -4.193 3.855 1.00 1.00 C ATOM 696 O ARG A 768 -3.617 -4.064 4.304 1.00 1.00 O ATOM 697 CB ARG A 768 -5.386 -6.127 5.303 1.00 1.00 C ATOM 698 CG ARG A 768 -6.310 -5.290 6.189 1.00 1.00 C ATOM 699 CD ARG A 768 -6.897 -6.076 7.364 1.00 1.00 C ATOM 700 NE ARG A 768 -7.940 -7.017 6.927 1.00 1.00 N ATOM 701 CZ ARG A 768 -9.237 -6.735 6.771 1.00 1.00 C ATOM 702 NH1 ARG A 768 -9.684 -5.481 6.831 1.00 1.00 N ATOM 703 NH2 ARG A 768 -10.088 -7.724 6.540 1.00 1.00 N ATOM 0 H ARG A 768 -3.697 -6.656 3.384 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.437 -5.541 3.569 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.717 -7.166 5.292 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.373 -6.119 5.705 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.756 -4.434 6.574 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -7.125 -4.895 5.582 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -6.101 -6.624 7.868 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -7.316 -5.382 8.092 1.00 1.00 H new ATOM 0 HE ARG A 768 -7.646 -7.973 6.724 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -9.032 -4.715 6.999 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -10.678 -5.288 6.709 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -9.750 -8.685 6.483 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -11.081 -7.525 6.419 1.00 1.00 H new ATOM 717 N HIS A 769 -5.410 -3.219 3.247 1.00 1.00 N ATOM 718 CA HIS A 769 -4.935 -1.852 3.273 1.00 1.00 C ATOM 719 C HIS A 769 -5.541 -1.205 4.513 1.00 1.00 C ATOM 720 O HIS A 769 -6.670 -1.534 4.895 1.00 1.00 O ATOM 721 CB HIS A 769 -5.360 -1.125 1.992 1.00 1.00 C ATOM 722 CG HIS A 769 -6.837 -1.248 1.694 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.841 -0.511 2.282 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.432 -2.221 0.931 1.00 1.00 C ATOM 725 CE1 HIS A 769 -9.011 -1.015 1.874 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.817 -2.048 1.034 1.00 1.00 N ATOM 0 H HIS A 769 -6.278 -3.354 2.728 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.847 -1.802 3.316 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.101 -0.070 2.079 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.793 -1.524 1.151 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.924 -2.981 0.356 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.979 -0.644 2.177 1.00 1.00 H new ATOM 0 HE2 HIS A 769 -9.537 -2.597 0.565 1.00 1.00 H new ATOM 734 N ASP A 770 -4.804 -0.292 5.136 1.00 1.00 N ATOM 735 CA ASP A 770 -5.293 0.490 6.269 1.00 1.00 C ATOM 736 C ASP A 770 -4.375 1.683 6.515 1.00 1.00 C ATOM 737 O ASP A 770 -3.251 1.710 6.013 1.00 1.00 O ATOM 738 CB ASP A 770 -5.310 -0.402 7.529 1.00 1.00 C ATOM 739 CG ASP A 770 -6.157 0.145 8.677 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.941 1.100 8.453 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.133 -0.475 9.764 1.00 1.00 O ATOM 0 H ASP A 770 -3.845 -0.071 4.869 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.298 0.849 6.050 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.684 -1.389 7.256 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.286 -0.534 7.880 1.00 1.00 H new ATOM 746 N SER A 771 -4.828 2.683 7.270 1.00 1.00 N ATOM 747 CA SER A 771 -3.966 3.799 7.645 1.00 1.00 C ATOM 748 C SER A 771 -3.373 3.487 9.010 1.00 1.00 C ATOM 749 O SER A 771 -4.012 2.839 9.846 1.00 1.00 O ATOM 750 CB SER A 771 -4.718 5.124 7.701 1.00 1.00 C ATOM 751 OG SER A 771 -5.409 5.354 6.491 1.00 1.00 O ATOM 0 H SER A 771 -5.780 2.742 7.631 1.00 1.00 H new ATOM 0 HA SER A 771 -3.190 3.912 6.888 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.423 5.114 8.532 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.018 5.938 7.887 1.00 1.00 H new ATOM 0 HG SER A 771 -5.888 6.208 6.545 1.00 1.00 H new ATOM 757 N SER A 772 -2.206 4.043 9.286 1.00 1.00 N ATOM 758 CA SER A 772 -1.417 3.800 10.484 1.00 1.00 C ATOM 759 C SER A 772 -0.820 5.120 10.964 1.00 1.00 C ATOM 760 O SER A 772 -0.833 6.107 10.227 1.00 1.00 O ATOM 761 CB SER A 772 -0.300 2.816 10.129 1.00 1.00 C ATOM 762 OG SER A 772 -0.813 1.593 9.639 1.00 1.00 O ATOM 0 H SER A 772 -1.761 4.707 8.652 1.00 1.00 H new ATOM 0 HA SER A 772 -2.037 3.383 11.278 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.353 3.263 9.379 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.311 2.626 11.011 1.00 1.00 H new ATOM 0 HG SER A 772 -0.394 0.847 10.118 1.00 1.00 H new ATOM 768 N GLY A 773 -0.305 5.153 12.189 1.00 1.00 N ATOM 769 CA GLY A 773 0.395 6.289 12.760 1.00 1.00 C ATOM 770 C GLY A 773 -0.292 6.777 14.023 1.00 1.00 C ATOM 771 O GLY A 773 -1.470 6.505 14.267 1.00 1.00 O ATOM 0 H GLY A 773 -0.368 4.362 12.829 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.424 6.009 12.987 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.438 7.098 12.030 1.00 1.00 H new ATOM 775 N GLU A 774 0.468 7.532 14.812 1.00 1.00 N ATOM 776 CA GLU A 774 0.062 8.013 16.119 1.00 1.00 C ATOM 777 C GLU A 774 -0.501 9.436 16.045 1.00 1.00 C ATOM 778 O GLU A 774 -1.680 9.644 16.339 1.00 1.00 O ATOM 779 CB GLU A 774 1.285 7.908 17.035 1.00 1.00 C ATOM 780 CG GLU A 774 0.952 8.179 18.501 1.00 1.00 C ATOM 781 CD GLU A 774 2.210 8.147 19.367 1.00 1.00 C ATOM 782 OE1 GLU A 774 3.187 8.879 19.069 1.00 1.00 O ATOM 783 OE2 GLU A 774 2.213 7.466 20.415 1.00 1.00 O ATOM 0 H GLU A 774 1.407 7.831 14.548 1.00 1.00 H new ATOM 0 HA GLU A 774 -0.751 7.408 16.521 1.00 1.00 H new ATOM 0 HB2 GLU A 774 1.717 6.911 16.944 1.00 1.00 H new ATOM 0 HB3 GLU A 774 2.044 8.616 16.703 1.00 1.00 H new ATOM 0 HG2 GLU A 774 0.468 9.151 18.593 1.00 1.00 H new ATOM 0 HG3 GLU A 774 0.241 7.434 18.859 1.00 1.00 H new ATOM 790 N GLY A 775 0.332 10.418 15.687 1.00 1.00 N ATOM 791 CA GLY A 775 0.004 11.839 15.658 1.00 1.00 C ATOM 792 C GLY A 775 -0.072 12.335 14.220 1.00 1.00 C ATOM 793 O GLY A 775 -0.565 11.612 13.350 1.00 1.00 O ATOM 0 H GLY A 775 1.292 10.232 15.398 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.949 12.010 16.159 1.00 1.00 H new ATOM 0 HA3 GLY A 775 0.758 12.404 16.205 1.00 1.00 H new ATOM 797 N LYS A 776 0.431 13.544 13.948 1.00 1.00 N ATOM 798 CA LYS A 776 0.436 14.185 12.624 1.00 1.00 C ATOM 799 C LYS A 776 1.457 13.546 11.664 1.00 1.00 C ATOM 800 O LYS A 776 1.879 14.176 10.687 1.00 1.00 O ATOM 801 CB LYS A 776 0.680 15.705 12.763 1.00 1.00 C ATOM 802 CG LYS A 776 -0.531 16.508 13.265 1.00 1.00 C ATOM 803 CD LYS A 776 -0.796 16.476 14.773 1.00 1.00 C ATOM 804 CE LYS A 776 0.385 17.016 15.582 1.00 1.00 C ATOM 805 NZ LYS A 776 0.024 17.210 16.998 1.00 1.00 N ATOM 0 H LYS A 776 0.861 14.125 14.667 1.00 1.00 H new ATOM 0 HA LYS A 776 -0.548 14.025 12.183 1.00 1.00 H new ATOM 0 HB2 LYS A 776 1.513 15.864 13.448 1.00 1.00 H new ATOM 0 HB3 LYS A 776 0.984 16.100 11.794 1.00 1.00 H new ATOM 0 HG2 LYS A 776 -0.399 17.547 12.964 1.00 1.00 H new ATOM 0 HG3 LYS A 776 -1.420 16.138 12.755 1.00 1.00 H new ATOM 0 HD2 LYS A 776 -1.686 17.065 14.996 1.00 1.00 H new ATOM 0 HD3 LYS A 776 -1.006 15.452 15.081 1.00 1.00 H new ATOM 0 HE2 LYS A 776 1.224 16.324 15.511 1.00 1.00 H new ATOM 0 HE3 LYS A 776 0.717 17.963 15.157 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 0.846 17.577 17.519 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 -0.760 17.889 17.066 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 -0.269 16.301 17.409 1.00 1.00 H new ATOM 818 N ARG A 777 1.837 12.290 11.894 1.00 1.00 N ATOM 819 CA ARG A 777 2.704 11.501 11.030 1.00 1.00 C ATOM 820 C ARG A 777 1.975 10.213 10.666 1.00 1.00 C ATOM 821 O ARG A 777 2.546 9.126 10.747 1.00 1.00 O ATOM 822 CB ARG A 777 4.083 11.282 11.665 1.00 1.00 C ATOM 823 CG ARG A 777 4.819 12.600 11.953 1.00 1.00 C ATOM 824 CD ARG A 777 6.314 12.379 12.201 1.00 1.00 C ATOM 825 NE ARG A 777 6.567 11.620 13.438 1.00 1.00 N ATOM 826 CZ ARG A 777 6.889 10.325 13.546 1.00 1.00 C ATOM 827 NH1 ARG A 777 7.113 9.567 12.476 1.00 1.00 N ATOM 828 NH2 ARG A 777 6.990 9.788 14.753 1.00 1.00 N ATOM 0 H ARG A 777 1.535 11.776 12.722 1.00 1.00 H new ATOM 0 HA ARG A 777 2.914 12.038 10.105 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.966 10.725 12.595 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.691 10.669 11.000 1.00 1.00 H new ATOM 0 HG2 ARG A 777 4.688 13.280 11.111 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.374 13.081 12.824 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.746 11.845 11.355 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.817 13.344 12.260 1.00 1.00 H new ATOM 0 HE ARG A 777 6.488 12.140 14.312 1.00 1.00 H new ATOM 0 HH11 ARG A 777 7.041 9.970 11.542 1.00 1.00 H new ATOM 0 HH12 ARG A 777 7.357 8.583 12.590 1.00 1.00 H new ATOM 0 HH21 ARG A 777 6.823 10.360 15.581 1.00 1.00 H new ATOM 0 HH22 ARG A 777 7.234 8.803 14.854 1.00 1.00 H new ATOM 842 N ARG A 778 0.686 10.325 10.328 1.00 1.00 N ATOM 843 CA ARG A 778 -0.128 9.217 9.840 1.00 1.00 C ATOM 844 C ARG A 778 0.479 8.752 8.514 1.00 1.00 C ATOM 845 O ARG A 778 1.219 9.516 7.892 1.00 1.00 O ATOM 846 CB ARG A 778 -1.570 9.720 9.671 1.00 1.00 C ATOM 847 CG ARG A 778 -2.666 8.649 9.624 1.00 1.00 C ATOM 848 CD ARG A 778 -4.001 9.365 9.378 1.00 1.00 C ATOM 849 NE ARG A 778 -5.167 8.539 9.728 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.821 8.558 10.896 1.00 1.00 C ATOM 851 NH1 ARG A 778 -5.338 9.211 11.952 1.00 1.00 N ATOM 852 NH2 ARG A 778 -6.982 7.924 10.983 1.00 1.00 N ATOM 0 H ARG A 778 0.174 11.205 10.389 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.145 8.374 10.531 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.793 10.400 10.493 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.623 10.303 8.751 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.465 7.929 8.830 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.697 8.091 10.560 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -4.026 10.286 9.961 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -4.066 9.650 8.328 1.00 1.00 H new ATOM 0 HE ARG A 778 -5.508 7.893 9.016 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -4.452 9.711 11.881 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -5.855 9.211 12.832 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -7.359 7.436 10.170 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -7.499 7.924 11.862 1.00 1.00 H new ATOM 866 N PHE A 779 0.178 7.540 8.069 1.00 1.00 N ATOM 867 CA PHE A 779 0.678 6.955 6.834 1.00 1.00 C ATOM 868 C PHE A 779 -0.308 5.878 6.353 1.00 1.00 C ATOM 869 O PHE A 779 -1.372 5.692 6.956 1.00 1.00 O ATOM 870 CB PHE A 779 2.119 6.447 7.062 1.00 1.00 C ATOM 871 CG PHE A 779 2.346 5.447 8.184 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.517 5.890 9.509 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.489 4.079 7.899 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.828 4.986 10.536 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.770 3.170 8.932 1.00 1.00 C ATOM 876 CZ PHE A 779 2.947 3.618 10.250 1.00 1.00 C ATOM 0 H PHE A 779 -0.445 6.914 8.579 1.00 1.00 H new ATOM 0 HA PHE A 779 0.739 7.691 6.032 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.466 5.994 6.133 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.754 7.313 7.251 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.407 6.940 9.738 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.383 3.726 6.884 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.975 5.343 11.545 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.851 2.116 8.710 1.00 1.00 H new ATOM 0 HZ PHE A 779 3.173 2.915 11.038 1.00 1.00 H new ATOM 886 N ILE A 780 -0.009 5.219 5.234 1.00 1.00 N ATOM 887 CA ILE A 780 -0.736 4.092 4.642 1.00 1.00 C ATOM 888 C ILE A 780 0.061 2.816 4.869 1.00 1.00 C ATOM 889 O ILE A 780 1.283 2.817 4.963 1.00 1.00 O ATOM 890 CB ILE A 780 -1.188 4.393 3.185 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.704 3.189 2.344 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.285 5.314 2.365 1.00 1.00 C ATOM 893 CD1 ILE A 780 -3.156 2.846 2.620 1.00 1.00 C ATOM 0 H ILE A 780 0.805 5.476 4.676 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.690 3.930 5.144 1.00 1.00 H new ATOM 0 HB ILE A 780 -2.077 4.982 3.411 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.586 3.417 1.285 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.085 2.316 2.553 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.708 5.446 1.369 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.210 6.283 2.858 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.707 4.871 2.282 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.453 1.999 2.002 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.275 2.587 3.672 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.784 3.705 2.384 1.00 1.00 H new ATOM 905 N THR A 781 -0.628 1.702 5.032 1.00 1.00 N ATOM 906 CA THR A 781 -0.053 0.404 5.285 1.00 1.00 C ATOM 907 C THR A 781 -0.862 -0.591 4.489 1.00 1.00 C ATOM 908 O THR A 781 -2.068 -0.423 4.296 1.00 1.00 O ATOM 909 CB THR A 781 -0.146 0.125 6.793 1.00 1.00 C ATOM 910 OG1 THR A 781 0.722 1.028 7.456 1.00 1.00 O ATOM 911 CG2 THR A 781 0.201 -1.313 7.200 1.00 1.00 C ATOM 0 H THR A 781 -1.647 1.682 4.989 1.00 1.00 H new ATOM 0 HA THR A 781 0.995 0.342 4.992 1.00 1.00 H new ATOM 0 HB THR A 781 -1.188 0.262 7.081 1.00 1.00 H new ATOM 0 HG1 THR A 781 0.370 1.224 8.349 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.108 -1.418 8.281 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.483 -2.005 6.708 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.224 -1.539 6.900 1.00 1.00 H new ATOM 919 N VAL A 782 -0.183 -1.617 4.006 1.00 1.00 N ATOM 920 CA VAL A 782 -0.815 -2.718 3.330 1.00 1.00 C ATOM 921 C VAL A 782 -0.120 -3.967 3.848 1.00 1.00 C ATOM 922 O VAL A 782 1.110 -3.996 3.930 1.00 1.00 O ATOM 923 CB VAL A 782 -0.763 -2.580 1.801 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.791 -1.576 1.283 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.571 -2.084 1.250 1.00 1.00 C ATOM 0 H VAL A 782 0.831 -1.703 4.077 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.883 -2.757 3.542 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.954 -3.599 1.464 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.720 -1.510 0.197 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.792 -1.904 1.561 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.596 -0.597 1.720 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.514 -2.018 0.164 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.792 -1.099 1.662 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.362 -2.780 1.530 1.00 1.00 H new ATOM 935 N SER A 783 -0.896 -4.982 4.201 1.00 1.00 N ATOM 936 CA SER A 783 -0.399 -6.249 4.722 1.00 1.00 C ATOM 937 C SER A 783 -0.811 -7.375 3.792 1.00 1.00 C ATOM 938 O SER A 783 -1.881 -7.328 3.192 1.00 1.00 O ATOM 939 CB SER A 783 -0.925 -6.542 6.125 1.00 1.00 C ATOM 940 OG SER A 783 -0.653 -5.513 7.054 1.00 1.00 O ATOM 0 H SER A 783 -1.913 -4.947 4.132 1.00 1.00 H new ATOM 0 HA SER A 783 0.687 -6.176 4.780 1.00 1.00 H new ATOM 0 HB2 SER A 783 -2.002 -6.700 6.075 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.482 -7.471 6.484 1.00 1.00 H new ATOM 0 HG SER A 783 -1.016 -5.759 7.930 1.00 1.00 H new ATOM 946 N LYS A 784 0.027 -8.396 3.696 1.00 1.00 N ATOM 947 CA LYS A 784 -0.129 -9.568 2.850 1.00 1.00 C ATOM 948 C LYS A 784 -0.835 -10.716 3.523 1.00 1.00 C ATOM 949 O LYS A 784 -0.377 -11.184 4.566 1.00 1.00 O ATOM 950 CB LYS A 784 1.249 -10.069 2.383 1.00 1.00 C ATOM 951 CG LYS A 784 1.814 -9.312 1.179 1.00 1.00 C ATOM 952 CD LYS A 784 1.587 -10.011 -0.178 1.00 1.00 C ATOM 953 CE LYS A 784 0.331 -10.894 -0.334 1.00 1.00 C ATOM 954 NZ LYS A 784 0.618 -12.318 -0.066 1.00 1.00 N ATOM 0 H LYS A 784 0.888 -8.430 4.242 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.746 -9.243 2.012 1.00 1.00 H new ATOM 0 HB2 LYS A 784 1.953 -9.989 3.212 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.173 -11.127 2.130 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.361 -8.321 1.143 1.00 1.00 H new ATOM 0 HG3 LYS A 784 2.885 -9.169 1.325 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.553 -9.241 -0.949 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.459 -10.631 -0.385 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.444 -10.546 0.349 1.00 1.00 H new ATOM 0 HE3 LYS A 784 -0.063 -10.788 -1.345 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 -0.192 -12.749 0.424 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.782 -12.814 -0.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.466 -12.395 0.532 1.00 1.00 H new ATOM 967 N ARG A 785 -1.980 -11.134 2.976 1.00 1.00 N ATOM 968 CA ARG A 785 -2.619 -12.326 3.509 1.00 1.00 C ATOM 969 C ARG A 785 -1.698 -13.406 2.930 1.00 1.00 C ATOM 970 O ARG A 785 -1.558 -13.467 1.705 1.00 1.00 O ATOM 971 CB ARG A 785 -4.050 -12.491 2.987 1.00 1.00 C ATOM 972 CG ARG A 785 -5.035 -11.444 3.527 1.00 1.00 C ATOM 973 CD ARG A 785 -6.327 -11.547 2.715 1.00 1.00 C ATOM 974 NE ARG A 785 -7.454 -10.798 3.289 1.00 1.00 N ATOM 975 CZ ARG A 785 -8.704 -10.884 2.814 1.00 1.00 C ATOM 976 NH1 ARG A 785 -8.956 -11.600 1.727 1.00 1.00 N ATOM 977 NH2 ARG A 785 -9.702 -10.266 3.427 1.00 1.00 N ATOM 0 H ARG A 785 -2.462 -10.683 2.198 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.725 -12.334 4.594 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -4.038 -12.436 1.898 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.410 -13.485 3.252 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -5.235 -11.618 4.584 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.611 -10.443 3.443 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.139 -11.184 1.705 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.608 -12.597 2.629 1.00 1.00 H new ATOM 0 HE ARG A 785 -7.277 -10.185 4.085 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -8.197 -12.087 1.250 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -9.909 -11.664 1.368 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -9.523 -9.718 4.269 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -10.650 -10.338 3.057 1.00 1.00 H new ATOM 991 N ALA A 786 -0.963 -14.126 3.775 1.00 1.00 N ATOM 992 CA ALA A 786 0.006 -15.120 3.344 1.00 1.00 C ATOM 993 C ALA A 786 -0.758 -16.340 2.846 1.00 1.00 C ATOM 994 O ALA A 786 -1.034 -16.408 1.629 1.00 1.00 O ATOM 995 CB ALA A 786 0.966 -15.428 4.496 1.00 1.00 C ATOM 0 H ALA A 786 -1.027 -14.031 4.789 1.00 1.00 H new ATOM 0 HA ALA A 786 0.622 -14.757 2.521 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.693 -16.173 4.174 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.486 -14.516 4.790 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.403 -15.814 5.346 1.00 1.00 H new