USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 907 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 109 SER OG : rot -46:sc= 0.938 USER MOD Set 1.2: A 116 ASN : amide:sc= 1.03 K(o=2,f=-3.8!) USER MOD Set 2.1: A 67 THR OG1 : rot -40:sc= 1.57 USER MOD Set 2.2: A 68 ASN : amide:sc= 0.533 K(o=2.1,f=1.1) USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= 0.804 USER MOD Set 3.2: A 41 LYS NZ :NH3+ 167:sc= 0.909 (180deg=0) USER MOD Set 4.1: A 26 LYS NZ :NH3+ -166:sc= 1.2 (180deg=0.247) USER MOD Set 4.2: A 59 THR OG1 : rot -72:sc= 0.667 USER MOD Set 5.1: A 4 SER OG : rot 180:sc= 0.445 USER MOD Set 5.2: A 7 SER OG : rot -69:sc= 1.06 USER MOD Set 5.3: A 9 THR OG1 : rot -72:sc= 1.34 USER MOD Set 5.4: A 11 LYS NZ :NH3+ 169:sc= 1.94 (180deg=1.19) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00626 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 6 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.23) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -152:sc= 1.15 USER MOD Single : A 24 SER OG : rot -91:sc= 1.21 USER MOD Single : A 25 ASN : amide:sc= 0.975 K(o=0.98,f=0) USER MOD Single : A 37 CYS SG : rot 160:sc= -0.336 USER MOD Single : A 40 CYS SG : rot -60:sc= -0.0841 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 81:sc= 0.969 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= 1.72 (180deg=1.14) USER MOD Single : A 71 THR OG1 : rot 84:sc= 0.497 USER MOD Single : A 74 ASN : amide:sc= 1.11 K(o=1.1,f=-0.96) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 101:sc= 2.05 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.777 K(o=0.78,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 3.32 (180deg=3.11) USER MOD Single : A 99 LYS NZ :NH3+ -152:sc= 0.961 (180deg=0.408) USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= 2.48 (180deg=2.07) USER MOD Single : A 114 ASN : amide:sc= -0.0305 X(o=-0.031,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.891 1.055 18.917 1.00 0.00 N ATOM 2 CA MET A 1 -0.705 1.528 18.155 1.00 0.00 C ATOM 3 C MET A 1 -0.422 0.593 16.975 1.00 0.00 C ATOM 4 O MET A 1 -0.466 -0.625 17.147 1.00 0.00 O ATOM 5 CB MET A 1 0.528 1.668 19.073 1.00 0.00 C ATOM 6 CG MET A 1 1.761 2.226 18.350 1.00 0.00 C ATOM 7 SD MET A 1 3.183 2.542 19.431 1.00 0.00 S ATOM 8 CE MET A 1 4.381 3.094 18.185 1.00 0.00 C ATOM 0 H1 MET A 1 -1.699 1.125 19.937 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.714 1.644 18.678 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.090 0.065 18.670 1.00 0.00 H new ATOM 0 HA MET A 1 -0.925 2.519 17.757 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.278 2.322 19.909 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.772 0.692 19.494 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.060 1.523 17.572 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.485 3.155 17.851 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.326 3.335 18.671 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.540 2.299 17.456 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.997 3.980 17.679 1.00 0.00 H new ATOM 19 N THR A 2 -0.135 1.167 15.796 1.00 0.00 N ATOM 20 CA THR A 2 0.298 0.476 14.555 1.00 0.00 C ATOM 21 C THR A 2 -0.492 -0.813 14.256 1.00 0.00 C ATOM 22 O THR A 2 -1.681 -0.728 13.933 1.00 0.00 O ATOM 23 CB THR A 2 1.833 0.313 14.469 1.00 0.00 C ATOM 24 OG1 THR A 2 2.340 -0.431 15.556 1.00 0.00 O ATOM 25 CG2 THR A 2 2.544 1.670 14.461 1.00 0.00 C ATOM 0 H THR A 2 -0.200 2.177 15.668 1.00 0.00 H new ATOM 0 HA THR A 2 0.034 1.143 13.734 1.00 0.00 H new ATOM 0 HB THR A 2 2.026 -0.215 13.535 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.312 -0.516 15.469 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.621 1.516 14.400 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.211 2.250 13.600 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.306 2.211 15.377 1.00 0.00 H new ATOM 33 N ASP A 3 0.125 -1.992 14.378 1.00 0.00 N ATOM 34 CA ASP A 3 -0.536 -3.299 14.243 1.00 0.00 C ATOM 35 C ASP A 3 0.208 -4.434 14.975 1.00 0.00 C ATOM 36 O ASP A 3 -0.433 -5.280 15.603 1.00 0.00 O ATOM 37 CB ASP A 3 -0.672 -3.654 12.755 1.00 0.00 C ATOM 38 CG ASP A 3 -1.383 -5.002 12.565 1.00 0.00 C ATOM 39 OD1 ASP A 3 -2.590 -5.104 12.884 1.00 0.00 O ATOM 40 OD2 ASP A 3 -0.736 -5.946 12.053 1.00 0.00 O ATOM 0 H ASP A 3 1.122 -2.069 14.578 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.516 -3.208 14.711 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.230 -2.871 12.242 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.316 -3.694 12.297 1.00 0.00 H new ATOM 45 N SER A 4 1.545 -4.451 14.920 1.00 0.00 N ATOM 46 CA SER A 4 2.394 -5.502 15.504 1.00 0.00 C ATOM 47 C SER A 4 3.547 -4.947 16.349 1.00 0.00 C ATOM 48 O SER A 4 3.885 -3.763 16.284 1.00 0.00 O ATOM 49 CB SER A 4 2.922 -6.430 14.399 1.00 0.00 C ATOM 50 OG SER A 4 3.924 -5.807 13.605 1.00 0.00 O ATOM 0 H SER A 4 2.082 -3.717 14.457 1.00 0.00 H new ATOM 0 HA SER A 4 1.766 -6.073 16.188 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.330 -7.334 14.851 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.094 -6.738 13.760 1.00 0.00 H new ATOM 0 HG SER A 4 4.232 -6.433 12.917 1.00 0.00 H new ATOM 56 N GLU A 5 4.186 -5.815 17.139 1.00 0.00 N ATOM 57 CA GLU A 5 5.412 -5.484 17.884 1.00 0.00 C ATOM 58 C GLU A 5 6.630 -5.298 16.951 1.00 0.00 C ATOM 59 O GLU A 5 7.582 -4.592 17.299 1.00 0.00 O ATOM 60 CB GLU A 5 5.650 -6.592 18.926 1.00 0.00 C ATOM 61 CG GLU A 5 6.768 -6.294 19.916 1.00 0.00 C ATOM 62 CD GLU A 5 6.820 -7.345 21.042 1.00 0.00 C ATOM 63 OE1 GLU A 5 7.474 -8.403 20.864 1.00 0.00 O ATOM 64 OE2 GLU A 5 6.215 -7.120 22.120 1.00 0.00 O ATOM 0 H GLU A 5 3.868 -6.774 17.283 1.00 0.00 H new ATOM 0 HA GLU A 5 5.284 -4.526 18.387 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.726 -6.758 19.479 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.881 -7.521 18.405 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.724 -6.273 19.392 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.619 -5.304 20.347 1.00 0.00 H new ATOM 71 N LYS A 6 6.596 -5.901 15.752 1.00 0.00 N ATOM 72 CA LYS A 6 7.698 -5.887 14.775 1.00 0.00 C ATOM 73 C LYS A 6 7.744 -4.625 13.911 1.00 0.00 C ATOM 74 O LYS A 6 8.824 -4.101 13.634 1.00 0.00 O ATOM 75 CB LYS A 6 7.613 -7.158 13.906 1.00 0.00 C ATOM 76 CG LYS A 6 8.885 -7.389 13.072 1.00 0.00 C ATOM 77 CD LYS A 6 8.673 -8.482 12.019 1.00 0.00 C ATOM 78 CE LYS A 6 9.967 -8.691 11.221 1.00 0.00 C ATOM 79 NZ LYS A 6 9.706 -9.393 9.941 1.00 0.00 N ATOM 0 H LYS A 6 5.783 -6.424 15.427 1.00 0.00 H new ATOM 0 HA LYS A 6 8.632 -5.876 15.337 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.442 -8.022 14.548 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.754 -7.081 13.239 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.173 -6.460 12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.707 -7.670 13.730 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.378 -9.413 12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.862 -8.201 11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.432 -7.726 11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.674 -9.268 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.606 -9.564 9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.238 -10.302 10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.091 -8.806 9.342 1.00 0.00 H new ATOM 93 N SER A 7 6.575 -4.168 13.473 1.00 0.00 N ATOM 94 CA SER A 7 6.419 -3.202 12.372 1.00 0.00 C ATOM 95 C SER A 7 5.691 -1.907 12.747 1.00 0.00 C ATOM 96 O SER A 7 4.959 -1.841 13.739 1.00 0.00 O ATOM 97 CB SER A 7 5.734 -3.858 11.163 1.00 0.00 C ATOM 98 OG SER A 7 4.321 -3.876 11.305 1.00 0.00 O ATOM 0 H SER A 7 5.686 -4.461 13.877 1.00 0.00 H new ATOM 0 HA SER A 7 7.436 -2.906 12.116 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.002 -3.317 10.255 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.101 -4.878 11.046 1.00 0.00 H new ATOM 0 HG SER A 7 4.072 -4.494 12.024 1.00 0.00 H new ATOM 104 N ALA A 8 5.847 -0.883 11.901 1.00 0.00 N ATOM 105 CA ALA A 8 5.022 0.328 11.923 1.00 0.00 C ATOM 106 C ALA A 8 3.937 0.340 10.818 1.00 0.00 C ATOM 107 O ALA A 8 3.603 1.398 10.279 1.00 0.00 O ATOM 108 CB ALA A 8 5.934 1.561 11.932 1.00 0.00 C ATOM 0 H ALA A 8 6.560 -0.873 11.172 1.00 0.00 H new ATOM 0 HA ALA A 8 4.439 0.347 12.844 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.324 2.464 11.948 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.570 1.537 12.817 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.557 1.560 11.037 1.00 0.00 H new ATOM 114 N THR A 9 3.373 -0.826 10.475 1.00 0.00 N ATOM 115 CA THR A 9 2.269 -0.936 9.499 1.00 0.00 C ATOM 116 C THR A 9 0.896 -0.694 10.140 1.00 0.00 C ATOM 117 O THR A 9 0.729 -0.812 11.356 1.00 0.00 O ATOM 118 CB THR A 9 2.250 -2.287 8.754 1.00 0.00 C ATOM 119 OG1 THR A 9 2.002 -3.377 9.617 1.00 0.00 O ATOM 120 CG2 THR A 9 3.536 -2.570 7.981 1.00 0.00 C ATOM 0 H THR A 9 3.666 -1.722 10.864 1.00 0.00 H new ATOM 0 HA THR A 9 2.465 -0.149 8.771 1.00 0.00 H new ATOM 0 HB THR A 9 1.429 -2.188 8.044 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.790 -3.536 10.178 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.455 -3.535 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.693 -1.788 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.379 -2.589 8.672 1.00 0.00 H new ATOM 128 N ILE A 10 -0.101 -0.381 9.309 1.00 0.00 N ATOM 129 CA ILE A 10 -1.539 -0.417 9.641 1.00 0.00 C ATOM 130 C ILE A 10 -2.294 -1.302 8.635 1.00 0.00 C ATOM 131 O ILE A 10 -1.760 -1.640 7.575 1.00 0.00 O ATOM 132 CB ILE A 10 -2.145 1.006 9.751 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.102 1.773 8.411 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.459 1.790 10.883 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.857 3.109 8.428 1.00 0.00 C ATOM 0 H ILE A 10 0.071 -0.083 8.349 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.652 -0.865 10.628 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.201 0.898 9.999 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.062 1.960 8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.522 1.140 7.629 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.893 2.787 10.950 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.604 1.267 11.828 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.392 1.872 10.674 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.778 3.584 7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.907 2.931 8.661 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.423 3.763 9.185 1.00 0.00 H new ATOM 147 N LYS A 11 -3.529 -1.710 8.942 1.00 0.00 N ATOM 148 CA LYS A 11 -4.409 -2.427 7.998 1.00 0.00 C ATOM 149 C LYS A 11 -5.739 -1.683 7.820 1.00 0.00 C ATOM 150 O LYS A 11 -6.288 -1.158 8.790 1.00 0.00 O ATOM 151 CB LYS A 11 -4.585 -3.907 8.398 1.00 0.00 C ATOM 152 CG LYS A 11 -3.383 -4.805 8.032 1.00 0.00 C ATOM 153 CD LYS A 11 -2.221 -4.805 9.041 1.00 0.00 C ATOM 154 CE LYS A 11 -1.050 -5.655 8.524 1.00 0.00 C ATOM 155 NZ LYS A 11 0.120 -5.606 9.442 1.00 0.00 N ATOM 0 H LYS A 11 -3.954 -1.554 9.856 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.928 -2.441 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.754 -3.964 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.479 -4.300 7.914 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.739 -5.829 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.998 -4.489 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.885 -3.783 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.565 -5.196 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.376 -6.688 8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.752 -5.300 7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.812 -6.329 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.562 -4.666 9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.195 -5.789 10.416 1.00 0.00 H new ATOM 169 N VAL A 12 -6.223 -1.603 6.576 1.00 0.00 N ATOM 170 CA VAL A 12 -7.346 -0.736 6.150 1.00 0.00 C ATOM 171 C VAL A 12 -8.314 -1.466 5.212 1.00 0.00 C ATOM 172 O VAL A 12 -7.904 -2.356 4.471 1.00 0.00 O ATOM 173 CB VAL A 12 -6.845 0.565 5.480 1.00 0.00 C ATOM 174 CG1 VAL A 12 -5.990 1.404 6.438 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.036 0.327 4.195 1.00 0.00 C ATOM 0 H VAL A 12 -5.838 -2.153 5.808 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.887 -0.472 7.059 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.755 1.103 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.657 2.309 5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.582 1.675 7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.122 0.825 6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.719 1.285 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.159 -0.278 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.656 -0.195 3.466 1.00 0.00 H new ATOM 185 N THR A 13 -9.594 -1.084 5.227 1.00 0.00 N ATOM 186 CA THR A 13 -10.668 -1.641 4.375 1.00 0.00 C ATOM 187 C THR A 13 -11.613 -0.544 3.874 1.00 0.00 C ATOM 188 O THR A 13 -11.671 0.545 4.449 1.00 0.00 O ATOM 189 CB THR A 13 -11.499 -2.705 5.121 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.143 -2.135 6.244 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.668 -3.889 5.616 1.00 0.00 C ATOM 0 H THR A 13 -9.931 -0.352 5.853 1.00 0.00 H new ATOM 0 HA THR A 13 -10.170 -2.108 3.526 1.00 0.00 H new ATOM 0 HB THR A 13 -12.221 -3.071 4.391 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.667 -2.823 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.316 -4.598 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.194 -4.381 4.767 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.901 -3.533 6.303 1.00 0.00 H new ATOM 199 N ASP A 14 -12.390 -0.824 2.823 1.00 0.00 N ATOM 200 CA ASP A 14 -13.324 0.118 2.178 1.00 0.00 C ATOM 201 C ASP A 14 -14.301 0.818 3.146 1.00 0.00 C ATOM 202 O ASP A 14 -14.655 1.980 2.939 1.00 0.00 O ATOM 203 CB ASP A 14 -14.122 -0.648 1.113 1.00 0.00 C ATOM 204 CG ASP A 14 -14.931 0.303 0.218 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.307 1.077 -0.547 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.183 0.266 0.270 1.00 0.00 O ATOM 0 H ASP A 14 -12.390 -1.742 2.379 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.719 0.915 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.439 -1.234 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.797 -1.352 1.600 1.00 0.00 H new ATOM 211 N ALA A 15 -14.694 0.145 4.234 1.00 0.00 N ATOM 212 CA ALA A 15 -15.602 0.674 5.255 1.00 0.00 C ATOM 213 C ALA A 15 -15.019 1.854 6.071 1.00 0.00 C ATOM 214 O ALA A 15 -15.785 2.628 6.654 1.00 0.00 O ATOM 215 CB ALA A 15 -16.002 -0.490 6.171 1.00 0.00 C ATOM 0 H ALA A 15 -14.381 -0.805 4.432 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.471 1.097 4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.680 -0.128 6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.500 -1.261 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.110 -0.909 6.637 1.00 0.00 H new ATOM 221 N SER A 16 -13.689 2.013 6.091 1.00 0.00 N ATOM 222 CA SER A 16 -12.961 3.044 6.856 1.00 0.00 C ATOM 223 C SER A 16 -11.879 3.764 6.035 1.00 0.00 C ATOM 224 O SER A 16 -11.151 4.600 6.569 1.00 0.00 O ATOM 225 CB SER A 16 -12.336 2.425 8.116 1.00 0.00 C ATOM 226 OG SER A 16 -13.327 1.835 8.948 1.00 0.00 O ATOM 0 H SER A 16 -13.065 1.408 5.557 1.00 0.00 H new ATOM 0 HA SER A 16 -13.697 3.799 7.133 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.604 1.671 7.828 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.800 3.193 8.674 1.00 0.00 H new ATOM 0 HG SER A 16 -12.900 1.448 9.741 1.00 0.00 H new ATOM 232 N PHE A 17 -11.765 3.483 4.731 1.00 0.00 N ATOM 233 CA PHE A 17 -10.670 3.946 3.869 1.00 0.00 C ATOM 234 C PHE A 17 -10.564 5.476 3.805 1.00 0.00 C ATOM 235 O PHE A 17 -9.468 6.032 3.859 1.00 0.00 O ATOM 236 CB PHE A 17 -10.864 3.353 2.466 1.00 0.00 C ATOM 237 CG PHE A 17 -9.612 3.369 1.615 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.265 4.508 0.863 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.790 2.228 1.574 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.097 4.504 0.079 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.646 2.213 0.760 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.296 3.351 0.016 1.00 0.00 C ATOM 0 H PHE A 17 -12.449 2.913 4.233 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.730 3.601 4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.213 2.325 2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.648 3.909 1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.896 5.384 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.039 1.362 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.816 5.388 -0.475 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.034 1.325 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.412 3.340 -0.604 1.00 0.00 H new ATOM 252 N ALA A 18 -11.699 6.175 3.749 1.00 0.00 N ATOM 253 CA ALA A 18 -11.719 7.634 3.772 1.00 0.00 C ATOM 254 C ALA A 18 -11.248 8.220 5.121 1.00 0.00 C ATOM 255 O ALA A 18 -10.620 9.278 5.148 1.00 0.00 O ATOM 256 CB ALA A 18 -13.121 8.113 3.385 1.00 0.00 C ATOM 0 H ALA A 18 -12.623 5.747 3.687 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.999 8.005 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.150 9.203 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.364 7.756 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.848 7.722 4.097 1.00 0.00 H new ATOM 262 N THR A 19 -11.516 7.523 6.229 1.00 0.00 N ATOM 263 CA THR A 19 -11.098 7.900 7.594 1.00 0.00 C ATOM 264 C THR A 19 -9.634 7.549 7.898 1.00 0.00 C ATOM 265 O THR A 19 -9.003 8.222 8.713 1.00 0.00 O ATOM 266 CB THR A 19 -12.023 7.232 8.633 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.380 7.387 8.255 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.894 7.829 10.036 1.00 0.00 C ATOM 0 H THR A 19 -12.046 6.652 6.206 1.00 0.00 H new ATOM 0 HA THR A 19 -11.182 8.985 7.657 1.00 0.00 H new ATOM 0 HB THR A 19 -11.716 6.186 8.659 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.956 6.958 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.572 7.312 10.715 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.869 7.712 10.388 1.00 0.00 H new ATOM 0 HG23 THR A 19 -12.149 8.888 10.005 1.00 0.00 H new ATOM 276 N ASP A 20 -9.070 6.524 7.248 1.00 0.00 N ATOM 277 CA ASP A 20 -7.705 6.032 7.507 1.00 0.00 C ATOM 278 C ASP A 20 -6.654 6.497 6.479 1.00 0.00 C ATOM 279 O ASP A 20 -5.494 6.700 6.842 1.00 0.00 O ATOM 280 CB ASP A 20 -7.715 4.494 7.564 1.00 0.00 C ATOM 281 CG ASP A 20 -8.476 3.908 8.767 1.00 0.00 C ATOM 282 OD1 ASP A 20 -8.446 4.502 9.872 1.00 0.00 O ATOM 283 OD2 ASP A 20 -9.060 2.808 8.623 1.00 0.00 O ATOM 0 H ASP A 20 -9.553 6.003 6.516 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.407 6.464 8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.161 4.111 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.686 4.137 7.592 1.00 0.00 H new ATOM 288 N VAL A 21 -7.038 6.646 5.204 1.00 0.00 N ATOM 289 CA VAL A 21 -6.129 6.935 4.078 1.00 0.00 C ATOM 290 C VAL A 21 -6.386 8.326 3.492 1.00 0.00 C ATOM 291 O VAL A 21 -5.475 9.153 3.433 1.00 0.00 O ATOM 292 CB VAL A 21 -6.240 5.847 2.984 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.174 6.019 1.898 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.090 4.430 3.559 1.00 0.00 C ATOM 0 H VAL A 21 -8.013 6.568 4.916 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.111 6.924 4.467 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.235 5.969 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.287 5.235 1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.292 6.993 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.183 5.952 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.175 3.700 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.115 4.332 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.874 4.251 4.295 1.00 0.00 H new ATOM 304 N LEU A 22 -7.627 8.626 3.098 1.00 0.00 N ATOM 305 CA LEU A 22 -7.972 9.910 2.456 1.00 0.00 C ATOM 306 C LEU A 22 -8.020 11.092 3.448 1.00 0.00 C ATOM 307 O LEU A 22 -8.039 12.253 3.036 1.00 0.00 O ATOM 308 CB LEU A 22 -9.262 9.793 1.625 1.00 0.00 C ATOM 309 CG LEU A 22 -9.333 8.569 0.689 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.669 8.556 -0.054 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.213 8.529 -0.350 1.00 0.00 C ATOM 0 H LEU A 22 -8.420 7.995 3.211 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.158 10.140 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.112 9.759 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.371 10.696 1.024 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.224 7.696 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.711 7.688 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.485 8.504 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.765 9.466 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.326 7.642 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.265 9.420 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.248 8.496 0.156 1.00 0.00 H new ATOM 323 N SER A 23 -8.011 10.801 4.751 1.00 0.00 N ATOM 324 CA SER A 23 -7.920 11.764 5.855 1.00 0.00 C ATOM 325 C SER A 23 -6.536 12.424 5.996 1.00 0.00 C ATOM 326 O SER A 23 -6.398 13.431 6.697 1.00 0.00 O ATOM 327 CB SER A 23 -8.253 11.036 7.159 1.00 0.00 C ATOM 328 OG SER A 23 -7.345 9.965 7.360 1.00 0.00 O ATOM 0 H SER A 23 -8.070 9.838 5.083 1.00 0.00 H new ATOM 0 HA SER A 23 -8.626 12.565 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.200 11.731 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.274 10.657 7.123 1.00 0.00 H new ATOM 0 HG SER A 23 -7.780 9.262 7.886 1.00 0.00 H new ATOM 334 N SER A 24 -5.500 11.858 5.363 1.00 0.00 N ATOM 335 CA SER A 24 -4.102 12.246 5.500 1.00 0.00 C ATOM 336 C SER A 24 -3.776 13.642 4.950 1.00 0.00 C ATOM 337 O SER A 24 -4.354 14.097 3.961 1.00 0.00 O ATOM 338 CB SER A 24 -3.233 11.187 4.806 1.00 0.00 C ATOM 339 OG SER A 24 -3.518 11.090 3.419 1.00 0.00 O ATOM 0 H SER A 24 -5.626 11.082 4.713 1.00 0.00 H new ATOM 0 HA SER A 24 -3.888 12.301 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.181 11.435 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.396 10.218 5.278 1.00 0.00 H new ATOM 0 HG SER A 24 -4.216 10.417 3.275 1.00 0.00 H new ATOM 345 N ASN A 25 -2.787 14.294 5.571 1.00 0.00 N ATOM 346 CA ASN A 25 -2.035 15.424 5.002 1.00 0.00 C ATOM 347 C ASN A 25 -0.575 15.040 4.653 1.00 0.00 C ATOM 348 O ASN A 25 0.074 15.718 3.854 1.00 0.00 O ATOM 349 CB ASN A 25 -2.152 16.614 5.969 1.00 0.00 C ATOM 350 CG ASN A 25 -1.450 17.869 5.468 1.00 0.00 C ATOM 351 OD1 ASN A 25 -0.501 18.355 6.068 1.00 0.00 O ATOM 352 ND2 ASN A 25 -1.890 18.447 4.373 1.00 0.00 N ATOM 0 H ASN A 25 -2.477 14.045 6.510 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.465 15.717 4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.206 16.837 6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.731 16.332 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.441 19.295 4.028 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.681 18.047 3.868 1.00 0.00 H new ATOM 359 N LYS A 26 -0.082 13.919 5.201 1.00 0.00 N ATOM 360 CA LYS A 26 1.205 13.280 4.859 1.00 0.00 C ATOM 361 C LYS A 26 1.031 12.246 3.728 1.00 0.00 C ATOM 362 O LYS A 26 -0.104 11.859 3.439 1.00 0.00 O ATOM 363 CB LYS A 26 1.845 12.671 6.128 1.00 0.00 C ATOM 364 CG LYS A 26 1.060 11.480 6.713 1.00 0.00 C ATOM 365 CD LYS A 26 1.737 10.833 7.931 1.00 0.00 C ATOM 366 CE LYS A 26 3.055 10.117 7.585 1.00 0.00 C ATOM 367 NZ LYS A 26 3.440 9.160 8.655 1.00 0.00 N ATOM 0 H LYS A 26 -0.588 13.409 5.925 1.00 0.00 H new ATOM 0 HA LYS A 26 1.889 14.038 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.858 12.345 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.929 13.447 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.064 11.818 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.930 10.726 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.934 11.601 8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.050 10.117 8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.947 9.586 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.847 10.853 7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.430 8.870 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.335 9.617 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.825 8.323 8.610 1.00 0.00 H new ATOM 381 N PRO A 27 2.113 11.759 3.095 1.00 0.00 N ATOM 382 CA PRO A 27 2.045 10.592 2.218 1.00 0.00 C ATOM 383 C PRO A 27 1.540 9.330 2.940 1.00 0.00 C ATOM 384 O PRO A 27 1.966 9.034 4.062 1.00 0.00 O ATOM 385 CB PRO A 27 3.468 10.381 1.706 1.00 0.00 C ATOM 386 CG PRO A 27 4.124 11.752 1.845 1.00 0.00 C ATOM 387 CD PRO A 27 3.457 12.315 3.098 1.00 0.00 C ATOM 0 HA PRO A 27 1.331 10.767 1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.994 9.627 2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.472 10.041 0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.205 11.674 1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.942 12.379 0.972 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.001 12.026 3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.433 13.405 3.076 1.00 0.00 H new ATOM 395 N VAL A 28 0.681 8.549 2.282 1.00 0.00 N ATOM 396 CA VAL A 28 0.220 7.236 2.752 1.00 0.00 C ATOM 397 C VAL A 28 0.206 6.216 1.611 1.00 0.00 C ATOM 398 O VAL A 28 -0.393 6.432 0.558 1.00 0.00 O ATOM 399 CB VAL A 28 -1.113 7.330 3.519 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.246 7.961 2.709 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.576 5.961 4.034 1.00 0.00 C ATOM 0 H VAL A 28 0.275 8.816 1.385 1.00 0.00 H new ATOM 0 HA VAL A 28 0.940 6.865 3.481 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.897 7.988 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.152 7.993 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.966 8.974 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.429 7.366 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.519 6.073 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.715 5.283 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.823 5.552 4.708 1.00 0.00 H new ATOM 411 N LEU A 29 0.899 5.101 1.821 1.00 0.00 N ATOM 412 CA LEU A 29 1.068 3.988 0.891 1.00 0.00 C ATOM 413 C LEU A 29 0.101 2.868 1.294 1.00 0.00 C ATOM 414 O LEU A 29 0.101 2.464 2.455 1.00 0.00 O ATOM 415 CB LEU A 29 2.545 3.550 0.979 1.00 0.00 C ATOM 416 CG LEU A 29 3.129 2.799 -0.230 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.517 2.288 0.156 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.315 1.587 -0.685 1.00 0.00 C ATOM 0 H LEU A 29 1.389 4.940 2.701 1.00 0.00 H new ATOM 0 HA LEU A 29 0.841 4.259 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.152 4.440 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.657 2.915 1.858 1.00 0.00 H new ATOM 0 HG LEU A 29 3.133 3.511 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.954 1.751 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.155 3.132 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.433 1.617 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.803 1.122 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.248 0.867 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.313 1.908 -0.969 1.00 0.00 H new ATOM 430 N VAL A 30 -0.701 2.344 0.370 1.00 0.00 N ATOM 431 CA VAL A 30 -1.578 1.186 0.593 1.00 0.00 C ATOM 432 C VAL A 30 -1.218 0.047 -0.363 1.00 0.00 C ATOM 433 O VAL A 30 -1.136 0.246 -1.573 1.00 0.00 O ATOM 434 CB VAL A 30 -3.069 1.547 0.472 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.915 0.411 1.066 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.447 2.850 1.190 1.00 0.00 C ATOM 0 H VAL A 30 -0.764 2.717 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.414 0.853 1.618 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.265 1.690 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.972 0.663 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.718 -0.513 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.656 0.276 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.513 3.040 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.220 2.759 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.877 3.677 0.767 1.00 0.00 H new ATOM 446 N ASP A 31 -1.026 -1.157 0.174 1.00 0.00 N ATOM 447 CA ASP A 31 -0.765 -2.383 -0.582 1.00 0.00 C ATOM 448 C ASP A 31 -1.990 -3.317 -0.589 1.00 0.00 C ATOM 449 O ASP A 31 -2.418 -3.813 0.456 1.00 0.00 O ATOM 450 CB ASP A 31 0.492 -3.056 -0.018 1.00 0.00 C ATOM 451 CG ASP A 31 0.684 -4.480 -0.554 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.661 -4.674 -1.789 1.00 0.00 O ATOM 453 OD2 ASP A 31 0.862 -5.399 0.279 1.00 0.00 O ATOM 0 H ASP A 31 -1.048 -1.312 1.182 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.582 -2.136 -1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.366 -2.455 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.428 -3.086 1.070 1.00 0.00 H new ATOM 458 N PHE A 32 -2.540 -3.561 -1.780 1.00 0.00 N ATOM 459 CA PHE A 32 -3.588 -4.543 -2.058 1.00 0.00 C ATOM 460 C PHE A 32 -2.929 -5.898 -2.371 1.00 0.00 C ATOM 461 O PHE A 32 -2.273 -6.050 -3.407 1.00 0.00 O ATOM 462 CB PHE A 32 -4.461 -4.072 -3.240 1.00 0.00 C ATOM 463 CG PHE A 32 -5.069 -2.673 -3.207 1.00 0.00 C ATOM 464 CD1 PHE A 32 -5.269 -1.962 -2.005 1.00 0.00 C ATOM 465 CD2 PHE A 32 -5.473 -2.085 -4.423 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.867 -0.688 -2.022 1.00 0.00 C ATOM 467 CE2 PHE A 32 -6.063 -0.808 -4.442 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.265 -0.110 -3.240 1.00 0.00 C ATOM 0 H PHE A 32 -2.252 -3.054 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.235 -4.650 -1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.856 -4.145 -4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.280 -4.783 -3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.961 -2.398 -1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.328 -2.620 -5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.021 -0.153 -1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.361 -0.364 -5.381 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.724 0.867 -3.252 1.00 0.00 H new ATOM 478 N TRP A 33 -3.098 -6.882 -1.484 1.00 0.00 N ATOM 479 CA TRP A 33 -2.411 -8.183 -1.518 1.00 0.00 C ATOM 480 C TRP A 33 -3.376 -9.356 -1.277 1.00 0.00 C ATOM 481 O TRP A 33 -4.528 -9.141 -0.907 1.00 0.00 O ATOM 482 CB TRP A 33 -1.281 -8.173 -0.479 1.00 0.00 C ATOM 483 CG TRP A 33 -1.716 -8.227 0.955 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.229 -7.195 1.656 1.00 0.00 C ATOM 485 CD2 TRP A 33 -1.725 -9.369 1.867 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.610 -7.626 2.911 1.00 0.00 N ATOM 487 CE2 TRP A 33 -2.311 -8.955 3.102 1.00 0.00 C ATOM 488 CE3 TRP A 33 -1.291 -10.709 1.782 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -2.480 -9.828 4.186 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -1.443 -11.590 2.869 1.00 0.00 C ATOM 491 CH2 TRP A 33 -2.046 -11.158 4.064 1.00 0.00 C ATOM 0 H TRP A 33 -3.738 -6.795 -0.694 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.994 -8.332 -2.514 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.626 -9.023 -0.673 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.686 -7.272 -0.625 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.327 -6.184 1.290 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.058 -7.033 3.610 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.835 -11.064 0.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.937 -9.483 5.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.093 -12.608 2.785 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.175 -11.847 4.885 1.00 0.00 H new ATOM 502 N ALA A 34 -2.917 -10.597 -1.464 1.00 0.00 N ATOM 503 CA ALA A 34 -3.655 -11.808 -1.082 1.00 0.00 C ATOM 504 C ALA A 34 -2.694 -12.926 -0.668 1.00 0.00 C ATOM 505 O ALA A 34 -1.662 -13.121 -1.307 1.00 0.00 O ATOM 506 CB ALA A 34 -4.552 -12.254 -2.241 1.00 0.00 C ATOM 0 H ALA A 34 -2.011 -10.793 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.283 -11.581 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.098 -13.153 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.260 -11.460 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.937 -12.467 -3.116 1.00 0.00 H new ATOM 512 N THR A 35 -3.026 -13.694 0.373 1.00 0.00 N ATOM 513 CA THR A 35 -2.076 -14.633 1.008 1.00 0.00 C ATOM 514 C THR A 35 -1.622 -15.803 0.115 1.00 0.00 C ATOM 515 O THR A 35 -0.626 -16.466 0.412 1.00 0.00 O ATOM 516 CB THR A 35 -2.615 -15.097 2.372 1.00 0.00 C ATOM 517 OG1 THR A 35 -1.546 -15.517 3.196 1.00 0.00 O ATOM 518 CG2 THR A 35 -3.643 -16.225 2.283 1.00 0.00 C ATOM 0 H THR A 35 -3.951 -13.689 0.802 1.00 0.00 H new ATOM 0 HA THR A 35 -1.156 -14.071 1.169 1.00 0.00 H new ATOM 0 HB THR A 35 -3.126 -14.234 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.897 -15.809 4.063 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.974 -16.495 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.499 -15.892 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.190 -17.093 1.804 1.00 0.00 H new ATOM 526 N TRP A 36 -2.291 -16.020 -1.020 1.00 0.00 N ATOM 527 CA TRP A 36 -1.887 -16.990 -2.048 1.00 0.00 C ATOM 528 C TRP A 36 -0.841 -16.452 -3.049 1.00 0.00 C ATOM 529 O TRP A 36 -0.250 -17.237 -3.795 1.00 0.00 O ATOM 530 CB TRP A 36 -3.148 -17.494 -2.765 1.00 0.00 C ATOM 531 CG TRP A 36 -3.975 -16.460 -3.479 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.111 -15.897 -3.005 1.00 0.00 C ATOM 533 CD2 TRP A 36 -3.763 -15.869 -4.802 1.00 0.00 C ATOM 534 NE1 TRP A 36 -5.624 -15.021 -3.941 1.00 0.00 N ATOM 535 CE2 TRP A 36 -4.828 -14.954 -5.064 1.00 0.00 C ATOM 536 CE3 TRP A 36 -2.789 -16.016 -5.816 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -4.921 -14.225 -6.257 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -2.857 -15.267 -7.008 1.00 0.00 C ATOM 539 CH2 TRP A 36 -3.920 -14.374 -7.231 1.00 0.00 C ATOM 0 H TRP A 36 -3.146 -15.518 -1.258 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.380 -17.813 -1.545 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.848 -18.251 -3.490 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.782 -17.990 -2.030 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.550 -16.102 -2.040 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.486 -14.489 -3.817 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.978 -16.715 -5.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.752 -13.557 -6.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.086 -15.380 -7.756 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.967 -13.805 -8.148 1.00 0.00 H new ATOM 550 N CYS A 37 -0.606 -15.135 -3.099 1.00 0.00 N ATOM 551 CA CYS A 37 0.142 -14.473 -4.174 1.00 0.00 C ATOM 552 C CYS A 37 1.653 -14.377 -3.877 1.00 0.00 C ATOM 553 O CYS A 37 2.101 -13.549 -3.078 1.00 0.00 O ATOM 554 CB CYS A 37 -0.528 -13.116 -4.441 1.00 0.00 C ATOM 555 SG CYS A 37 0.265 -12.275 -5.841 1.00 0.00 S ATOM 0 H CYS A 37 -0.936 -14.489 -2.382 1.00 0.00 H new ATOM 0 HA CYS A 37 0.101 -15.072 -5.084 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.587 -13.263 -4.651 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.463 -12.491 -3.550 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.541 -11.374 -6.319 1.00 0.00 H new ATOM 561 N GLY A 38 2.461 -15.192 -4.563 1.00 0.00 N ATOM 562 CA GLY A 38 3.926 -15.220 -4.423 1.00 0.00 C ATOM 563 C GLY A 38 4.602 -13.848 -4.585 1.00 0.00 C ATOM 564 O GLY A 38 5.343 -13.440 -3.690 1.00 0.00 O ATOM 0 H GLY A 38 2.111 -15.865 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.178 -15.623 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.337 -15.905 -5.164 1.00 0.00 H new ATOM 568 N PRO A 39 4.306 -13.068 -5.644 1.00 0.00 N ATOM 569 CA PRO A 39 4.829 -11.709 -5.792 1.00 0.00 C ATOM 570 C PRO A 39 4.422 -10.743 -4.666 1.00 0.00 C ATOM 571 O PRO A 39 5.194 -9.842 -4.334 1.00 0.00 O ATOM 572 CB PRO A 39 4.318 -11.222 -7.148 1.00 0.00 C ATOM 573 CG PRO A 39 4.127 -12.511 -7.945 1.00 0.00 C ATOM 574 CD PRO A 39 3.669 -13.503 -6.880 1.00 0.00 C ATOM 0 HA PRO A 39 5.917 -11.729 -5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.383 -10.670 -7.049 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.033 -10.555 -7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.384 -12.392 -8.734 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.052 -12.831 -8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.583 -13.502 -6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.965 -14.520 -7.137 1.00 0.00 H new ATOM 582 N CYS A 40 3.256 -10.933 -4.028 1.00 0.00 N ATOM 583 CA CYS A 40 2.895 -10.143 -2.845 1.00 0.00 C ATOM 584 C CYS A 40 3.737 -10.550 -1.623 1.00 0.00 C ATOM 585 O CYS A 40 4.228 -9.678 -0.908 1.00 0.00 O ATOM 586 CB CYS A 40 1.375 -10.141 -2.606 1.00 0.00 C ATOM 587 SG CYS A 40 0.852 -11.314 -1.326 1.00 0.00 S ATOM 0 H CYS A 40 2.556 -11.619 -4.309 1.00 0.00 H new ATOM 0 HA CYS A 40 3.149 -9.099 -3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.060 -9.137 -2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.867 -10.381 -3.540 1.00 0.00 H new ATOM 0 HG CYS A 40 1.183 -12.520 -1.681 1.00 0.00 H new ATOM 593 N LYS A 41 4.006 -11.854 -1.441 1.00 0.00 N ATOM 594 CA LYS A 41 4.926 -12.361 -0.401 1.00 0.00 C ATOM 595 C LYS A 41 6.368 -11.880 -0.614 1.00 0.00 C ATOM 596 O LYS A 41 7.087 -11.676 0.362 1.00 0.00 O ATOM 597 CB LYS A 41 4.873 -13.902 -0.338 1.00 0.00 C ATOM 598 CG LYS A 41 3.500 -14.495 0.020 1.00 0.00 C ATOM 599 CD LYS A 41 3.080 -14.246 1.474 1.00 0.00 C ATOM 600 CE LYS A 41 1.717 -14.907 1.707 1.00 0.00 C ATOM 601 NZ LYS A 41 1.281 -14.826 3.126 1.00 0.00 N ATOM 0 H LYS A 41 3.592 -12.591 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 41 4.590 -11.954 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.182 -14.300 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.602 -14.245 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.747 -14.071 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.519 -15.569 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.822 -14.657 2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.021 -13.176 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.971 -14.428 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.768 -15.953 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.276 -15.083 3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.846 -15.483 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.416 -13.856 3.476 1.00 0.00 H new ATOM 615 N MET A 42 6.780 -11.644 -1.864 1.00 0.00 N ATOM 616 CA MET A 42 8.090 -11.070 -2.210 1.00 0.00 C ATOM 617 C MET A 42 8.212 -9.579 -1.845 1.00 0.00 C ATOM 618 O MET A 42 9.245 -9.177 -1.309 1.00 0.00 O ATOM 619 CB MET A 42 8.384 -11.272 -3.705 1.00 0.00 C ATOM 620 CG MET A 42 8.617 -12.740 -4.073 1.00 0.00 C ATOM 621 SD MET A 42 8.701 -13.033 -5.861 1.00 0.00 S ATOM 622 CE MET A 42 8.842 -14.841 -5.858 1.00 0.00 C ATOM 0 H MET A 42 6.204 -11.849 -2.680 1.00 0.00 H new ATOM 0 HA MET A 42 8.830 -11.603 -1.613 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.550 -10.884 -4.290 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.264 -10.690 -3.979 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.546 -13.079 -3.613 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.814 -13.344 -3.651 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.905 -15.203 -6.884 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.739 -15.135 -5.314 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.966 -15.273 -5.374 1.00 0.00 H new ATOM 632 N VAL A 43 7.182 -8.754 -2.096 1.00 0.00 N ATOM 633 CA VAL A 43 7.222 -7.303 -1.778 1.00 0.00 C ATOM 634 C VAL A 43 6.806 -6.959 -0.336 1.00 0.00 C ATOM 635 O VAL A 43 7.230 -5.929 0.187 1.00 0.00 O ATOM 636 CB VAL A 43 6.463 -6.486 -2.844 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.944 -6.642 -2.762 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.810 -4.995 -2.815 1.00 0.00 C ATOM 0 H VAL A 43 6.306 -9.061 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 43 8.270 -7.006 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 43 6.803 -6.910 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.474 -6.041 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.678 -7.690 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.596 -6.307 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.244 -4.475 -3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.556 -4.581 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.877 -4.866 -2.998 1.00 0.00 H new ATOM 648 N ALA A 44 6.056 -7.824 0.355 1.00 0.00 N ATOM 649 CA ALA A 44 5.650 -7.649 1.757 1.00 0.00 C ATOM 650 C ALA A 44 6.796 -7.311 2.743 1.00 0.00 C ATOM 651 O ALA A 44 6.645 -6.328 3.472 1.00 0.00 O ATOM 652 CB ALA A 44 4.864 -8.889 2.206 1.00 0.00 C ATOM 0 H ALA A 44 5.704 -8.689 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 44 5.018 -6.761 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.558 -8.769 3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.980 -9.006 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.495 -9.773 2.113 1.00 0.00 H new ATOM 658 N PRO A 45 7.949 -8.017 2.781 1.00 0.00 N ATOM 659 CA PRO A 45 9.055 -7.645 3.671 1.00 0.00 C ATOM 660 C PRO A 45 9.703 -6.303 3.289 1.00 0.00 C ATOM 661 O PRO A 45 10.195 -5.590 4.164 1.00 0.00 O ATOM 662 CB PRO A 45 10.053 -8.806 3.593 1.00 0.00 C ATOM 663 CG PRO A 45 9.790 -9.416 2.219 1.00 0.00 C ATOM 664 CD PRO A 45 8.281 -9.243 2.068 1.00 0.00 C ATOM 0 HA PRO A 45 8.697 -7.489 4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.081 -8.457 3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.888 -9.530 4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.339 -8.898 1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.085 -10.464 2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.999 -9.173 1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.746 -10.096 2.486 1.00 0.00 H new ATOM 672 N VAL A 46 9.661 -5.914 2.008 1.00 0.00 N ATOM 673 CA VAL A 46 10.179 -4.616 1.542 1.00 0.00 C ATOM 674 C VAL A 46 9.258 -3.480 1.997 1.00 0.00 C ATOM 675 O VAL A 46 9.731 -2.501 2.571 1.00 0.00 O ATOM 676 CB VAL A 46 10.391 -4.587 0.012 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.201 -3.355 -0.363 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.158 -5.819 -0.484 1.00 0.00 C ATOM 0 H VAL A 46 9.267 -6.489 1.263 1.00 0.00 H new ATOM 0 HA VAL A 46 11.160 -4.471 1.995 1.00 0.00 H new ATOM 0 HB VAL A 46 9.404 -4.573 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.351 -3.333 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.664 -2.458 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.169 -3.390 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.285 -5.758 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.137 -5.855 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.598 -6.721 -0.235 1.00 0.00 H new ATOM 688 N LEU A 47 7.940 -3.638 1.833 1.00 0.00 N ATOM 689 CA LEU A 47 6.921 -2.738 2.387 1.00 0.00 C ATOM 690 C LEU A 47 7.025 -2.619 3.917 1.00 0.00 C ATOM 691 O LEU A 47 6.894 -1.524 4.451 1.00 0.00 O ATOM 692 CB LEU A 47 5.528 -3.282 2.018 1.00 0.00 C ATOM 693 CG LEU A 47 5.048 -2.900 0.611 1.00 0.00 C ATOM 694 CD1 LEU A 47 3.920 -3.839 0.202 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.530 -1.460 0.588 1.00 0.00 C ATOM 0 H LEU A 47 7.543 -4.412 1.300 1.00 0.00 H new ATOM 0 HA LEU A 47 7.080 -1.746 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.543 -4.369 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.804 -2.917 2.747 1.00 0.00 H new ATOM 0 HG LEU A 47 5.886 -2.983 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.572 -3.576 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.284 -4.866 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.096 -3.748 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.195 -1.210 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.696 -1.362 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.330 -0.781 0.883 1.00 0.00 H new ATOM 707 N GLU A 48 7.283 -3.723 4.623 1.00 0.00 N ATOM 708 CA GLU A 48 7.410 -3.756 6.085 1.00 0.00 C ATOM 709 C GLU A 48 8.657 -2.997 6.582 1.00 0.00 C ATOM 710 O GLU A 48 8.577 -2.223 7.539 1.00 0.00 O ATOM 711 CB GLU A 48 7.410 -5.226 6.535 1.00 0.00 C ATOM 712 CG GLU A 48 7.205 -5.393 8.042 1.00 0.00 C ATOM 713 CD GLU A 48 7.186 -6.886 8.421 1.00 0.00 C ATOM 714 OE1 GLU A 48 8.273 -7.508 8.499 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.089 -7.448 8.651 1.00 0.00 O ATOM 0 H GLU A 48 7.412 -4.636 4.188 1.00 0.00 H new ATOM 0 HA GLU A 48 6.562 -3.237 6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.622 -5.762 6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.356 -5.687 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.004 -4.885 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.268 -4.924 8.342 1.00 0.00 H new ATOM 722 N GLU A 49 9.797 -3.136 5.893 1.00 0.00 N ATOM 723 CA GLU A 49 10.982 -2.305 6.135 1.00 0.00 C ATOM 724 C GLU A 49 10.707 -0.827 5.840 1.00 0.00 C ATOM 725 O GLU A 49 10.969 0.020 6.690 1.00 0.00 O ATOM 726 CB GLU A 49 12.165 -2.776 5.281 1.00 0.00 C ATOM 727 CG GLU A 49 12.842 -4.029 5.844 1.00 0.00 C ATOM 728 CD GLU A 49 14.021 -4.492 4.962 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.684 -3.636 4.324 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.313 -5.713 4.926 1.00 0.00 O ATOM 0 H GLU A 49 9.923 -3.827 5.153 1.00 0.00 H new ATOM 0 HA GLU A 49 11.231 -2.410 7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.817 -2.980 4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.899 -1.973 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.201 -3.825 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.110 -4.833 5.923 1.00 0.00 H new ATOM 737 N ILE A 50 10.130 -0.500 4.679 1.00 0.00 N ATOM 738 CA ILE A 50 9.766 0.879 4.314 1.00 0.00 C ATOM 739 C ILE A 50 8.827 1.497 5.366 1.00 0.00 C ATOM 740 O ILE A 50 9.044 2.635 5.783 1.00 0.00 O ATOM 741 CB ILE A 50 9.155 0.882 2.892 1.00 0.00 C ATOM 742 CG1 ILE A 50 10.211 0.615 1.790 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.375 2.163 2.571 1.00 0.00 C ATOM 744 CD1 ILE A 50 11.219 1.741 1.522 1.00 0.00 C ATOM 0 H ILE A 50 9.900 -1.186 3.960 1.00 0.00 H new ATOM 0 HA ILE A 50 10.657 1.507 4.299 1.00 0.00 H new ATOM 0 HB ILE A 50 8.445 0.055 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.766 -0.283 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.686 0.398 0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.973 2.100 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.556 2.278 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.041 3.023 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.904 1.435 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.686 2.640 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.783 1.948 2.431 1.00 0.00 H new ATOM 756 N ALA A 51 7.842 0.740 5.862 1.00 0.00 N ATOM 757 CA ALA A 51 6.950 1.163 6.939 1.00 0.00 C ATOM 758 C ALA A 51 7.715 1.483 8.231 1.00 0.00 C ATOM 759 O ALA A 51 7.516 2.542 8.828 1.00 0.00 O ATOM 760 CB ALA A 51 5.930 0.045 7.200 1.00 0.00 C ATOM 0 H ALA A 51 7.642 -0.199 5.518 1.00 0.00 H new ATOM 0 HA ALA A 51 6.447 2.079 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.257 0.347 8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.354 -0.141 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.454 -0.866 7.490 1.00 0.00 H new ATOM 766 N THR A 52 8.587 0.569 8.660 1.00 0.00 N ATOM 767 CA THR A 52 9.250 0.626 9.971 1.00 0.00 C ATOM 768 C THR A 52 10.398 1.641 9.997 1.00 0.00 C ATOM 769 O THR A 52 10.628 2.294 11.014 1.00 0.00 O ATOM 770 CB THR A 52 9.694 -0.787 10.383 1.00 0.00 C ATOM 771 OG1 THR A 52 8.583 -1.657 10.288 1.00 0.00 O ATOM 772 CG2 THR A 52 10.172 -0.867 11.832 1.00 0.00 C ATOM 0 H THR A 52 8.858 -0.242 8.104 1.00 0.00 H new ATOM 0 HA THR A 52 8.535 0.986 10.710 1.00 0.00 H new ATOM 0 HB THR A 52 10.516 -1.059 9.721 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.465 -1.936 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.471 -1.890 12.060 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.023 -0.200 11.972 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.363 -0.568 12.499 1.00 0.00 H new ATOM 780 N GLU A 53 11.094 1.824 8.872 1.00 0.00 N ATOM 781 CA GLU A 53 12.209 2.766 8.727 1.00 0.00 C ATOM 782 C GLU A 53 11.774 4.196 8.363 1.00 0.00 C ATOM 783 O GLU A 53 12.366 5.153 8.865 1.00 0.00 O ATOM 784 CB GLU A 53 13.208 2.231 7.688 1.00 0.00 C ATOM 785 CG GLU A 53 13.835 0.896 8.120 1.00 0.00 C ATOM 786 CD GLU A 53 15.093 0.584 7.290 1.00 0.00 C ATOM 787 OE1 GLU A 53 14.965 0.301 6.075 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.218 0.621 7.848 1.00 0.00 O ATOM 0 H GLU A 53 10.893 1.309 8.015 1.00 0.00 H new ATOM 0 HA GLU A 53 12.682 2.839 9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.700 2.100 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.996 2.967 7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.094 0.937 9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.108 0.093 8.001 1.00 0.00 H new ATOM 795 N ARG A 54 10.759 4.362 7.497 1.00 0.00 N ATOM 796 CA ARG A 54 10.329 5.668 6.948 1.00 0.00 C ATOM 797 C ARG A 54 8.997 6.172 7.520 1.00 0.00 C ATOM 798 O ARG A 54 8.311 6.955 6.869 1.00 0.00 O ATOM 799 CB ARG A 54 10.345 5.672 5.401 1.00 0.00 C ATOM 800 CG ARG A 54 11.626 5.164 4.708 1.00 0.00 C ATOM 801 CD ARG A 54 12.969 5.606 5.312 1.00 0.00 C ATOM 802 NE ARG A 54 13.061 7.054 5.586 1.00 0.00 N ATOM 803 CZ ARG A 54 14.033 7.669 6.232 1.00 0.00 C ATOM 804 NH1 ARG A 54 15.102 7.055 6.658 1.00 0.00 N ATOM 805 NH2 ARG A 54 13.932 8.942 6.460 1.00 0.00 N ATOM 0 H ARG A 54 10.202 3.581 7.150 1.00 0.00 H new ATOM 0 HA ARG A 54 11.073 6.391 7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.509 5.065 5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.160 6.692 5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.599 4.074 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.600 5.488 3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.134 5.060 6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.772 5.325 4.630 1.00 0.00 H new ATOM 0 HE ARG A 54 12.298 7.636 5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.214 6.054 6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.826 7.576 7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.109 9.454 6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.675 9.431 6.958 1.00 0.00 H new ATOM 819 N ALA A 55 8.635 5.771 8.742 1.00 0.00 N ATOM 820 CA ALA A 55 7.389 6.169 9.419 1.00 0.00 C ATOM 821 C ALA A 55 7.182 7.702 9.523 1.00 0.00 C ATOM 822 O ALA A 55 6.048 8.189 9.549 1.00 0.00 O ATOM 823 CB ALA A 55 7.389 5.530 10.813 1.00 0.00 C ATOM 0 H ALA A 55 9.211 5.145 9.305 1.00 0.00 H new ATOM 0 HA ALA A 55 6.554 5.815 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.476 5.807 11.340 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.437 4.445 10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.254 5.883 11.375 1.00 0.00 H new ATOM 829 N THR A 56 8.272 8.474 9.557 1.00 0.00 N ATOM 830 CA THR A 56 8.275 9.949 9.561 1.00 0.00 C ATOM 831 C THR A 56 8.005 10.576 8.184 1.00 0.00 C ATOM 832 O THR A 56 7.587 11.733 8.115 1.00 0.00 O ATOM 833 CB THR A 56 9.616 10.476 10.097 1.00 0.00 C ATOM 834 OG1 THR A 56 10.691 9.828 9.445 1.00 0.00 O ATOM 835 CG2 THR A 56 9.765 10.214 11.597 1.00 0.00 C ATOM 0 H THR A 56 9.212 8.080 9.584 1.00 0.00 H new ATOM 0 HA THR A 56 7.452 10.244 10.212 1.00 0.00 H new ATOM 0 HB THR A 56 9.632 11.549 9.908 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.540 10.172 9.793 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.725 10.600 11.940 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.959 10.713 12.135 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.717 9.142 11.786 1.00 0.00 H new ATOM 843 N ASP A 57 8.196 9.828 7.092 1.00 0.00 N ATOM 844 CA ASP A 57 7.985 10.278 5.705 1.00 0.00 C ATOM 845 C ASP A 57 6.695 9.713 5.087 1.00 0.00 C ATOM 846 O ASP A 57 6.022 10.397 4.318 1.00 0.00 O ATOM 847 CB ASP A 57 9.170 9.847 4.831 1.00 0.00 C ATOM 848 CG ASP A 57 10.537 10.295 5.361 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.744 11.510 5.585 1.00 0.00 O ATOM 850 OD2 ASP A 57 11.420 9.419 5.512 1.00 0.00 O ATOM 0 H ASP A 57 8.512 8.860 7.147 1.00 0.00 H new ATOM 0 HA ASP A 57 7.898 11.364 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.165 8.761 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.032 10.249 3.827 1.00 0.00 H new ATOM 855 N LEU A 58 6.347 8.471 5.437 1.00 0.00 N ATOM 856 CA LEU A 58 5.216 7.694 4.930 1.00 0.00 C ATOM 857 C LEU A 58 4.401 7.118 6.098 1.00 0.00 C ATOM 858 O LEU A 58 4.957 6.746 7.132 1.00 0.00 O ATOM 859 CB LEU A 58 5.728 6.512 4.075 1.00 0.00 C ATOM 860 CG LEU A 58 6.596 6.825 2.842 1.00 0.00 C ATOM 861 CD1 LEU A 58 7.000 5.516 2.171 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.897 7.695 1.804 1.00 0.00 C ATOM 0 H LEU A 58 6.885 7.949 6.128 1.00 0.00 H new ATOM 0 HA LEU A 58 4.592 8.355 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.302 5.854 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.860 5.947 3.736 1.00 0.00 H new ATOM 0 HG LEU A 58 7.458 7.383 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.615 5.730 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.568 4.907 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.106 4.975 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.570 7.873 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.000 7.188 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.620 8.648 2.255 1.00 0.00 H new ATOM 874 N THR A 59 3.095 6.953 5.910 1.00 0.00 N ATOM 875 CA THR A 59 2.318 5.903 6.599 1.00 0.00 C ATOM 876 C THR A 59 2.145 4.741 5.623 1.00 0.00 C ATOM 877 O THR A 59 1.930 4.980 4.438 1.00 0.00 O ATOM 878 CB THR A 59 0.969 6.438 7.104 1.00 0.00 C ATOM 879 OG1 THR A 59 1.214 7.408 8.100 1.00 0.00 O ATOM 880 CG2 THR A 59 0.093 5.367 7.756 1.00 0.00 C ATOM 0 H THR A 59 2.540 7.534 5.282 1.00 0.00 H new ATOM 0 HA THR A 59 2.850 5.562 7.487 1.00 0.00 H new ATOM 0 HB THR A 59 0.448 6.831 6.231 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.532 6.967 8.915 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.843 5.816 8.089 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.119 4.580 7.032 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.616 4.941 8.612 1.00 0.00 H new ATOM 888 N VAL A 60 2.269 3.488 6.071 1.00 0.00 N ATOM 889 CA VAL A 60 2.197 2.311 5.184 1.00 0.00 C ATOM 890 C VAL A 60 1.128 1.333 5.674 1.00 0.00 C ATOM 891 O VAL A 60 1.117 0.933 6.840 1.00 0.00 O ATOM 892 CB VAL A 60 3.566 1.630 5.034 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.511 0.434 4.072 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.630 2.602 4.504 1.00 0.00 C ATOM 0 H VAL A 60 2.421 3.256 7.053 1.00 0.00 H new ATOM 0 HA VAL A 60 1.907 2.654 4.191 1.00 0.00 H new ATOM 0 HB VAL A 60 3.834 1.289 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.500 -0.017 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.803 -0.304 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.190 0.774 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.584 2.082 4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.325 2.977 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.737 3.437 5.196 1.00 0.00 H new ATOM 904 N ALA A 61 0.230 0.950 4.770 1.00 0.00 N ATOM 905 CA ALA A 61 -0.991 0.203 5.039 1.00 0.00 C ATOM 906 C ALA A 61 -1.136 -1.048 4.153 1.00 0.00 C ATOM 907 O ALA A 61 -0.637 -1.086 3.026 1.00 0.00 O ATOM 908 CB ALA A 61 -2.177 1.156 4.858 1.00 0.00 C ATOM 0 H ALA A 61 0.342 1.165 3.779 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.956 -0.172 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.106 0.621 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.084 1.989 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.185 1.536 3.837 1.00 0.00 H new ATOM 914 N LYS A 62 -1.875 -2.052 4.639 1.00 0.00 N ATOM 915 CA LYS A 62 -2.200 -3.300 3.921 1.00 0.00 C ATOM 916 C LYS A 62 -3.709 -3.578 3.858 1.00 0.00 C ATOM 917 O LYS A 62 -4.440 -3.298 4.808 1.00 0.00 O ATOM 918 CB LYS A 62 -1.434 -4.480 4.552 1.00 0.00 C ATOM 919 CG LYS A 62 -0.198 -4.878 3.731 1.00 0.00 C ATOM 920 CD LYS A 62 0.492 -6.097 4.367 1.00 0.00 C ATOM 921 CE LYS A 62 1.655 -6.650 3.530 1.00 0.00 C ATOM 922 NZ LYS A 62 1.192 -7.242 2.249 1.00 0.00 N ATOM 0 H LYS A 62 -2.279 -2.021 5.575 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.879 -3.178 2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.125 -4.211 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.101 -5.338 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.492 -5.110 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.499 -4.042 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.864 -5.820 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.246 -6.886 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.364 -5.849 3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.188 -7.406 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.656 -8.161 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.161 -7.376 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.434 -6.604 1.464 1.00 0.00 H new ATOM 936 N LEU A 63 -4.151 -4.160 2.743 1.00 0.00 N ATOM 937 CA LEU A 63 -5.516 -4.640 2.490 1.00 0.00 C ATOM 938 C LEU A 63 -5.470 -6.025 1.822 1.00 0.00 C ATOM 939 O LEU A 63 -4.935 -6.167 0.724 1.00 0.00 O ATOM 940 CB LEU A 63 -6.227 -3.574 1.634 1.00 0.00 C ATOM 941 CG LEU A 63 -7.650 -3.854 1.107 1.00 0.00 C ATOM 942 CD1 LEU A 63 -7.665 -4.541 -0.260 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.531 -4.672 2.047 1.00 0.00 C ATOM 0 H LEU A 63 -3.535 -4.319 1.946 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.079 -4.774 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.270 -2.657 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.593 -3.370 0.771 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.068 -2.851 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.696 -4.709 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.163 -3.907 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.146 -5.497 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.511 -4.818 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.067 -5.641 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.645 -4.142 2.992 1.00 0.00 H new ATOM 955 N ASP A 64 -6.034 -7.042 2.480 1.00 0.00 N ATOM 956 CA ASP A 64 -6.160 -8.393 1.918 1.00 0.00 C ATOM 957 C ASP A 64 -7.413 -8.498 1.025 1.00 0.00 C ATOM 958 O ASP A 64 -8.542 -8.498 1.530 1.00 0.00 O ATOM 959 CB ASP A 64 -6.193 -9.438 3.048 1.00 0.00 C ATOM 960 CG ASP A 64 -5.960 -10.875 2.542 1.00 0.00 C ATOM 961 OD1 ASP A 64 -6.227 -11.153 1.351 1.00 0.00 O ATOM 962 OD2 ASP A 64 -5.539 -11.735 3.350 1.00 0.00 O ATOM 0 H ASP A 64 -6.418 -6.953 3.421 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.290 -8.594 1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.431 -9.190 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.157 -9.388 3.554 1.00 0.00 H new ATOM 967 N VAL A 65 -7.247 -8.617 -0.295 1.00 0.00 N ATOM 968 CA VAL A 65 -8.375 -8.755 -1.239 1.00 0.00 C ATOM 969 C VAL A 65 -9.090 -10.109 -1.154 1.00 0.00 C ATOM 970 O VAL A 65 -10.193 -10.240 -1.679 1.00 0.00 O ATOM 971 CB VAL A 65 -8.014 -8.412 -2.699 1.00 0.00 C ATOM 972 CG1 VAL A 65 -7.471 -6.985 -2.831 1.00 0.00 C ATOM 973 CG2 VAL A 65 -7.023 -9.370 -3.354 1.00 0.00 C ATOM 0 H VAL A 65 -6.332 -8.621 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.084 -7.998 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.961 -8.512 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.229 -6.783 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.225 -6.276 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.572 -6.880 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.830 -9.050 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.090 -9.369 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.441 -10.377 -3.362 1.00 0.00 H new ATOM 983 N ASP A 66 -8.533 -11.111 -0.466 1.00 0.00 N ATOM 984 CA ASP A 66 -9.280 -12.327 -0.107 1.00 0.00 C ATOM 985 C ASP A 66 -10.289 -12.074 1.037 1.00 0.00 C ATOM 986 O ASP A 66 -11.244 -12.836 1.200 1.00 0.00 O ATOM 987 CB ASP A 66 -8.301 -13.459 0.241 1.00 0.00 C ATOM 988 CG ASP A 66 -9.004 -14.824 0.334 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.497 -15.323 -0.706 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.032 -15.423 1.436 1.00 0.00 O ATOM 0 H ASP A 66 -7.565 -11.106 -0.145 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.870 -12.630 -0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.518 -13.506 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.814 -13.237 1.190 1.00 0.00 H new ATOM 995 N THR A 67 -10.108 -10.991 1.808 1.00 0.00 N ATOM 996 CA THR A 67 -10.990 -10.601 2.929 1.00 0.00 C ATOM 997 C THR A 67 -11.962 -9.475 2.554 1.00 0.00 C ATOM 998 O THR A 67 -13.146 -9.547 2.889 1.00 0.00 O ATOM 999 CB THR A 67 -10.187 -10.211 4.190 1.00 0.00 C ATOM 1000 OG1 THR A 67 -9.585 -8.937 4.091 1.00 0.00 O ATOM 1001 CG2 THR A 67 -9.134 -11.243 4.591 1.00 0.00 C ATOM 0 H THR A 67 -9.330 -10.346 1.670 1.00 0.00 H new ATOM 0 HA THR A 67 -11.582 -11.487 3.158 1.00 0.00 H new ATOM 0 HB THR A 67 -10.939 -10.178 4.978 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.229 -8.813 3.187 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.611 -10.901 5.484 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.620 -12.197 4.798 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.419 -11.369 3.778 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.478 -8.441 1.850 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.210 -7.204 1.550 1.00 0.00 C ATOM 1011 C ASN A 68 -11.889 -6.691 0.120 1.00 0.00 C ATOM 1012 O ASN A 68 -11.309 -5.610 -0.035 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.885 -6.173 2.654 1.00 0.00 C ATOM 1014 CG ASN A 68 -12.525 -6.491 3.996 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -13.639 -6.079 4.287 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -11.848 -7.210 4.864 1.00 0.00 N ATOM 0 H ASN A 68 -10.535 -8.444 1.461 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.285 -7.386 1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.804 -6.119 2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.217 -5.188 2.328 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.252 -7.422 5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.919 -7.556 4.625 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.268 -7.434 -0.945 1.00 0.00 N ATOM 1024 CA PRO A 69 -11.946 -7.085 -2.338 1.00 0.00 C ATOM 1025 C PRO A 69 -12.577 -5.767 -2.805 1.00 0.00 C ATOM 1026 O PRO A 69 -12.052 -5.120 -3.713 1.00 0.00 O ATOM 1027 CB PRO A 69 -12.461 -8.255 -3.186 1.00 0.00 C ATOM 1028 CG PRO A 69 -13.568 -8.869 -2.330 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.067 -8.652 -0.904 1.00 0.00 C ATOM 0 HA PRO A 69 -10.872 -6.929 -2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -12.843 -7.914 -4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.670 -8.976 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.527 -8.379 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -13.708 -9.927 -2.551 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.900 -8.550 -0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.471 -9.500 -0.566 1.00 0.00 H new ATOM 1037 N GLU A 70 -13.666 -5.330 -2.165 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.369 -4.080 -2.479 1.00 0.00 C ATOM 1039 C GLU A 70 -13.451 -2.848 -2.392 1.00 0.00 C ATOM 1040 O GLU A 70 -13.645 -1.887 -3.132 1.00 0.00 O ATOM 1041 CB GLU A 70 -15.572 -3.911 -1.537 1.00 0.00 C ATOM 1042 CG GLU A 70 -16.652 -4.992 -1.707 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.319 -4.943 -3.096 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -18.198 -4.078 -3.324 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -16.975 -5.771 -3.974 1.00 0.00 O ATOM 0 H GLU A 70 -14.094 -5.847 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.711 -4.149 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.218 -3.923 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.021 -2.933 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.205 -5.975 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.413 -4.866 -0.937 1.00 0.00 H new ATOM 1052 N THR A 71 -12.406 -2.892 -1.557 1.00 0.00 N ATOM 1053 CA THR A 71 -11.437 -1.794 -1.387 1.00 0.00 C ATOM 1054 C THR A 71 -10.598 -1.565 -2.651 1.00 0.00 C ATOM 1055 O THR A 71 -10.452 -0.431 -3.105 1.00 0.00 O ATOM 1056 CB THR A 71 -10.514 -2.044 -0.187 1.00 0.00 C ATOM 1057 OG1 THR A 71 -11.193 -2.655 0.895 1.00 0.00 O ATOM 1058 CG2 THR A 71 -9.914 -0.743 0.338 1.00 0.00 C ATOM 0 H THR A 71 -12.204 -3.702 -0.970 1.00 0.00 H new ATOM 0 HA THR A 71 -12.021 -0.893 -1.200 1.00 0.00 H new ATOM 0 HB THR A 71 -9.733 -2.708 -0.557 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.226 -3.624 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.266 -0.958 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.332 -0.266 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.715 -0.074 0.653 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.099 -2.644 -3.265 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.395 -2.612 -4.552 1.00 0.00 C ATOM 1068 C ALA A 72 -10.343 -2.377 -5.740 1.00 0.00 C ATOM 1069 O ALA A 72 -9.979 -1.721 -6.722 1.00 0.00 O ATOM 1070 CB ALA A 72 -8.575 -3.900 -4.667 1.00 0.00 C ATOM 0 H ALA A 72 -10.175 -3.583 -2.873 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.720 -1.757 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.039 -3.906 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.860 -3.951 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.242 -4.761 -4.622 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.585 -2.865 -5.632 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.634 -2.709 -6.648 1.00 0.00 C ATOM 1078 C ARG A 73 -13.176 -1.277 -6.753 1.00 0.00 C ATOM 1079 O ARG A 73 -13.498 -0.842 -7.855 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.749 -3.712 -6.318 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.810 -3.904 -7.411 1.00 0.00 C ATOM 1082 CD ARG A 73 -15.914 -4.801 -6.839 1.00 0.00 C ATOM 1083 NE ARG A 73 -16.968 -5.104 -7.821 1.00 0.00 N ATOM 1084 CZ ARG A 73 -18.102 -5.732 -7.556 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -18.413 -6.137 -6.356 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -18.959 -5.970 -8.508 1.00 0.00 N ATOM 0 H ARG A 73 -11.896 -3.392 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.207 -2.912 -7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.293 -4.679 -6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.248 -3.387 -5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.220 -2.942 -7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.368 -4.360 -8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.473 -5.733 -6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.360 -4.313 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.811 -4.806 -8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.772 -5.973 -5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.298 -6.618 -6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.757 -5.672 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.832 -6.454 -8.299 1.00 0.00 H new ATOM 1100 N ASN A 74 -13.219 -0.522 -5.651 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.693 0.871 -5.606 1.00 0.00 C ATOM 1102 C ASN A 74 -12.856 1.799 -6.516 1.00 0.00 C ATOM 1103 O ASN A 74 -13.406 2.591 -7.284 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.694 1.312 -4.126 1.00 0.00 C ATOM 1105 CG ASN A 74 -14.333 2.667 -3.843 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -14.647 3.462 -4.718 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -14.564 2.977 -2.590 1.00 0.00 N ATOM 0 H ASN A 74 -12.918 -0.869 -4.740 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.705 0.942 -6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.215 0.555 -3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.663 1.335 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.999 3.870 -2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.308 2.325 -1.848 1.00 0.00 H new ATOM 1114 N PHE A 75 -11.528 1.629 -6.517 1.00 0.00 N ATOM 1115 CA PHE A 75 -10.609 2.324 -7.434 1.00 0.00 C ATOM 1116 C PHE A 75 -10.504 1.648 -8.817 1.00 0.00 C ATOM 1117 O PHE A 75 -9.897 2.201 -9.736 1.00 0.00 O ATOM 1118 CB PHE A 75 -9.232 2.452 -6.761 1.00 0.00 C ATOM 1119 CG PHE A 75 -9.252 3.294 -5.498 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.299 4.698 -5.593 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.259 2.680 -4.231 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.366 5.484 -4.428 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.332 3.465 -3.066 1.00 0.00 C ATOM 1124 CZ PHE A 75 -9.392 4.867 -3.165 1.00 0.00 C ATOM 0 H PHE A 75 -11.053 0.997 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.016 3.316 -7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.861 1.456 -6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.529 2.890 -7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.284 5.173 -6.563 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.208 1.604 -4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.397 6.561 -4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.342 2.991 -2.095 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.458 5.469 -2.271 1.00 0.00 H new ATOM 1134 N GLN A 76 -11.094 0.457 -8.968 1.00 0.00 N ATOM 1135 CA GLN A 76 -10.974 -0.451 -10.112 1.00 0.00 C ATOM 1136 C GLN A 76 -9.510 -0.817 -10.443 1.00 0.00 C ATOM 1137 O GLN A 76 -9.084 -0.802 -11.600 1.00 0.00 O ATOM 1138 CB GLN A 76 -11.825 0.059 -11.292 1.00 0.00 C ATOM 1139 CG GLN A 76 -12.191 -1.068 -12.275 1.00 0.00 C ATOM 1140 CD GLN A 76 -13.056 -0.604 -13.451 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -13.418 0.556 -13.606 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -13.427 -1.504 -14.340 1.00 0.00 N ATOM 0 H GLN A 76 -11.708 0.078 -8.247 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.399 -1.418 -9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -12.738 0.515 -10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.278 0.838 -11.823 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.274 -1.511 -12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.720 -1.852 -11.734 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -13.138 -2.476 -14.233 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.003 -1.228 -15.135 1.00 0.00 H new ATOM 1151 N VAL A 77 -8.731 -1.151 -9.405 1.00 0.00 N ATOM 1152 CA VAL A 77 -7.321 -1.581 -9.508 1.00 0.00 C ATOM 1153 C VAL A 77 -7.121 -2.879 -8.711 1.00 0.00 C ATOM 1154 O VAL A 77 -6.404 -2.935 -7.713 1.00 0.00 O ATOM 1155 CB VAL A 77 -6.335 -0.461 -9.102 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -4.941 -0.788 -9.642 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.689 0.924 -9.657 1.00 0.00 C ATOM 0 H VAL A 77 -9.069 -1.131 -8.443 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.092 -1.790 -10.553 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.382 -0.422 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.246 0.001 -9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.603 -1.737 -9.226 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.980 -0.861 -10.729 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.947 1.650 -9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.699 0.888 -10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.674 1.220 -9.295 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.832 -3.932 -9.128 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.978 -5.195 -8.373 1.00 0.00 C ATOM 1169 C VAL A 78 -6.810 -6.184 -8.548 1.00 0.00 C ATOM 1170 O VAL A 78 -6.688 -7.137 -7.780 1.00 0.00 O ATOM 1171 CB VAL A 78 -9.349 -5.819 -8.704 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -9.387 -6.501 -10.078 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.844 -6.796 -7.632 1.00 0.00 C ATOM 0 H VAL A 78 -8.334 -3.937 -10.016 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.938 -4.951 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.029 -4.968 -8.727 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.379 -6.919 -10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.163 -5.769 -10.854 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.646 -7.300 -10.108 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.813 -7.199 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.129 -7.612 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.942 -6.273 -6.681 1.00 0.00 H new ATOM 1183 N SER A 79 -5.943 -5.966 -9.544 1.00 0.00 N ATOM 1184 CA SER A 79 -4.768 -6.815 -9.834 1.00 0.00 C ATOM 1185 C SER A 79 -3.719 -6.791 -8.705 1.00 0.00 C ATOM 1186 O SER A 79 -3.637 -5.823 -7.945 1.00 0.00 O ATOM 1187 CB SER A 79 -4.143 -6.417 -11.174 1.00 0.00 C ATOM 1188 OG SER A 79 -3.201 -7.396 -11.579 1.00 0.00 O ATOM 0 H SER A 79 -6.035 -5.180 -10.187 1.00 0.00 H new ATOM 0 HA SER A 79 -5.124 -7.843 -9.899 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.920 -6.313 -11.931 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.655 -5.447 -11.083 1.00 0.00 H new ATOM 0 HG SER A 79 -2.807 -7.135 -12.438 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.927 -7.864 -8.567 1.00 0.00 N ATOM 1195 CA ILE A 80 -2.227 -8.206 -7.315 1.00 0.00 C ATOM 1196 C ILE A 80 -0.740 -8.561 -7.550 1.00 0.00 C ATOM 1197 O ILE A 80 -0.443 -9.317 -8.480 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.934 -9.396 -6.597 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -4.481 -9.299 -6.586 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -2.430 -9.535 -5.147 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -5.177 -10.573 -6.099 1.00 0.00 C ATOM 0 H ILE A 80 -2.751 -8.525 -9.324 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.266 -7.318 -6.684 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.673 -10.278 -7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.779 -8.467 -5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.828 -9.069 -7.593 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.936 -10.371 -4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.355 -9.715 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.642 -8.617 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.257 -10.428 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.910 -11.405 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.860 -10.794 -5.080 1.00 0.00 H new ATOM 1213 N PRO A 81 0.192 -8.103 -6.684 1.00 0.00 N ATOM 1214 CA PRO A 81 0.015 -7.025 -5.708 1.00 0.00 C ATOM 1215 C PRO A 81 -0.148 -5.674 -6.414 1.00 0.00 C ATOM 1216 O PRO A 81 0.505 -5.437 -7.428 1.00 0.00 O ATOM 1217 CB PRO A 81 1.280 -7.038 -4.846 1.00 0.00 C ATOM 1218 CG PRO A 81 2.349 -7.570 -5.800 1.00 0.00 C ATOM 1219 CD PRO A 81 1.568 -8.576 -6.648 1.00 0.00 C ATOM 0 HA PRO A 81 -0.882 -7.171 -5.107 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.528 -6.042 -4.480 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.165 -7.680 -3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.781 -6.776 -6.409 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.171 -8.044 -5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.983 -8.641 -7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.624 -9.575 -6.215 1.00 0.00 H new ATOM 1227 N THR A 82 -0.965 -4.778 -5.857 1.00 0.00 N ATOM 1228 CA THR A 82 -1.008 -3.358 -6.251 1.00 0.00 C ATOM 1229 C THR A 82 -0.598 -2.489 -5.072 1.00 0.00 C ATOM 1230 O THR A 82 -1.243 -2.513 -4.027 1.00 0.00 O ATOM 1231 CB THR A 82 -2.384 -2.930 -6.793 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.504 -3.360 -8.131 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.595 -1.414 -6.820 1.00 0.00 C ATOM 0 H THR A 82 -1.623 -5.014 -5.114 1.00 0.00 H new ATOM 0 HA THR A 82 -0.302 -3.223 -7.070 1.00 0.00 H new ATOM 0 HB THR A 82 -3.118 -3.376 -6.121 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.048 -4.175 -8.165 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.587 -1.192 -7.214 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.509 -1.017 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.840 -0.953 -7.457 1.00 0.00 H new ATOM 1241 N LEU A 83 0.442 -1.679 -5.256 1.00 0.00 N ATOM 1242 CA LEU A 83 0.867 -0.653 -4.309 1.00 0.00 C ATOM 1243 C LEU A 83 0.398 0.701 -4.851 1.00 0.00 C ATOM 1244 O LEU A 83 0.795 1.092 -5.948 1.00 0.00 O ATOM 1245 CB LEU A 83 2.396 -0.683 -4.129 1.00 0.00 C ATOM 1246 CG LEU A 83 2.995 -1.876 -3.358 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.866 -3.228 -4.061 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.493 -1.625 -3.180 1.00 0.00 C ATOM 0 H LEU A 83 1.027 -1.720 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 83 0.428 -0.832 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.852 -0.658 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.693 0.232 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 83 2.435 -1.936 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.316 -4.004 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.812 -3.456 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.378 -3.188 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.939 -2.457 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.966 -1.536 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.643 -0.703 -2.619 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.432 1.421 -4.101 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.905 2.769 -4.442 1.00 0.00 C ATOM 1262 C ILE A 84 -0.481 3.766 -3.361 1.00 0.00 C ATOM 1263 O ILE A 84 -0.676 3.535 -2.169 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.420 2.785 -4.758 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -2.862 4.223 -5.116 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.279 2.188 -3.627 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -4.254 4.323 -5.745 1.00 0.00 C ATOM 0 H ILE A 84 -0.806 1.079 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.427 3.091 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.585 2.137 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.842 4.831 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.134 4.652 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.331 2.228 -3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.988 1.151 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.126 2.762 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.481 5.367 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.278 3.746 -6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.996 3.928 -5.051 1.00 0.00 H new ATOM 1279 N LEU A 85 0.115 4.882 -3.777 1.00 0.00 N ATOM 1280 CA LEU A 85 0.564 5.959 -2.898 1.00 0.00 C ATOM 1281 C LEU A 85 -0.347 7.177 -3.065 1.00 0.00 C ATOM 1282 O LEU A 85 -0.512 7.682 -4.176 1.00 0.00 O ATOM 1283 CB LEU A 85 2.031 6.287 -3.227 1.00 0.00 C ATOM 1284 CG LEU A 85 2.696 7.297 -2.276 1.00 0.00 C ATOM 1285 CD1 LEU A 85 3.021 6.697 -0.912 1.00 0.00 C ATOM 1286 CD2 LEU A 85 3.998 7.800 -2.893 1.00 0.00 C ATOM 0 H LEU A 85 0.304 5.067 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 85 0.507 5.652 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.607 5.362 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.082 6.678 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 85 1.982 8.108 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.488 7.455 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.102 6.349 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.705 5.857 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.468 8.515 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.672 6.959 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.786 8.285 -3.846 1.00 0.00 H new ATOM 1298 N PHE A 86 -0.885 7.670 -1.954 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.598 8.940 -1.849 1.00 0.00 C ATOM 1300 C PHE A 86 -0.714 9.983 -1.150 1.00 0.00 C ATOM 1301 O PHE A 86 0.111 9.636 -0.304 1.00 0.00 O ATOM 1302 CB PHE A 86 -2.926 8.757 -1.096 1.00 0.00 C ATOM 1303 CG PHE A 86 -3.878 7.721 -1.672 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.715 6.358 -1.355 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -4.950 8.119 -2.495 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.610 5.401 -1.864 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -5.843 7.160 -3.007 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.673 5.800 -2.691 1.00 0.00 C ATOM 0 H PHE A 86 -0.834 7.175 -1.064 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.828 9.296 -2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.702 8.483 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.440 9.718 -1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.900 6.047 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.087 9.163 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.480 4.357 -1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.660 7.468 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.359 5.064 -3.084 1.00 0.00 H new ATOM 1318 N LYS A 87 -0.922 11.264 -1.458 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.386 12.414 -0.717 1.00 0.00 C ATOM 1320 C LYS A 87 -1.503 13.441 -0.532 1.00 0.00 C ATOM 1321 O LYS A 87 -2.224 13.733 -1.484 1.00 0.00 O ATOM 1322 CB LYS A 87 0.835 12.976 -1.458 1.00 0.00 C ATOM 1323 CG LYS A 87 1.700 13.921 -0.612 1.00 0.00 C ATOM 1324 CD LYS A 87 2.999 14.239 -1.375 1.00 0.00 C ATOM 1325 CE LYS A 87 4.030 15.029 -0.554 1.00 0.00 C ATOM 1326 NZ LYS A 87 3.594 16.425 -0.283 1.00 0.00 N ATOM 0 H LYS A 87 -1.489 11.543 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.042 12.121 0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.452 12.146 -1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.494 13.509 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.154 14.841 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.932 13.459 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.452 13.304 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.752 14.807 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.206 14.517 0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.980 15.046 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.324 16.915 0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.451 16.925 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.702 16.413 0.251 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.697 13.933 0.690 1.00 0.00 N ATOM 1341 CA ASP A 88 -2.857 14.768 1.060 1.00 0.00 C ATOM 1342 C ASP A 88 -4.215 14.140 0.642 1.00 0.00 C ATOM 1343 O ASP A 88 -5.102 14.814 0.112 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.629 16.216 0.579 1.00 0.00 C ATOM 1345 CG ASP A 88 -3.596 17.233 1.214 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -3.642 17.320 2.464 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -4.251 18.000 0.469 1.00 0.00 O ATOM 0 H ASP A 88 -1.053 13.767 1.463 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.935 14.809 2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.604 16.509 0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.737 16.252 -0.505 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.338 12.810 0.785 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.521 12.020 0.417 1.00 0.00 C ATOM 1354 C GLY A 89 -5.824 11.931 -1.088 1.00 0.00 C ATOM 1355 O GLY A 89 -6.936 11.558 -1.458 1.00 0.00 O ATOM 0 H GLY A 89 -3.589 12.237 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.394 11.009 0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.390 12.446 0.919 1.00 0.00 H new ATOM 1359 N GLN A 90 -4.872 12.280 -1.959 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.009 12.278 -3.426 1.00 0.00 C ATOM 1361 C GLN A 90 -3.920 11.387 -4.060 1.00 0.00 C ATOM 1362 O GLN A 90 -2.790 11.396 -3.570 1.00 0.00 O ATOM 1363 CB GLN A 90 -4.915 13.727 -3.932 1.00 0.00 C ATOM 1364 CG GLN A 90 -6.124 14.584 -3.509 1.00 0.00 C ATOM 1365 CD GLN A 90 -5.763 16.063 -3.411 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -5.848 16.823 -4.369 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -5.337 16.525 -2.254 1.00 0.00 N ATOM 0 H GLN A 90 -3.948 12.584 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.976 11.866 -3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.001 14.182 -3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.840 13.724 -5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.932 14.454 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.497 14.236 -2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.263 15.900 -1.451 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.081 17.508 -2.160 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.209 10.591 -5.107 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.267 9.602 -5.641 1.00 0.00 C ATOM 1378 C PRO A 91 -2.054 10.242 -6.344 1.00 0.00 C ATOM 1379 O PRO A 91 -2.182 11.241 -7.057 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.089 8.715 -6.579 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.217 9.639 -7.041 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.483 10.499 -5.806 1.00 0.00 C ATOM 0 HA PRO A 91 -2.819 9.019 -4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.493 8.357 -7.419 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.475 7.835 -6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.918 10.244 -7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.102 9.077 -7.340 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.847 11.487 -6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.246 10.048 -5.172 1.00 0.00 H new ATOM 1390 N VAL A 92 -0.874 9.640 -6.150 1.00 0.00 N ATOM 1391 CA VAL A 92 0.438 10.123 -6.634 1.00 0.00 C ATOM 1392 C VAL A 92 1.220 9.053 -7.415 1.00 0.00 C ATOM 1393 O VAL A 92 1.834 9.385 -8.431 1.00 0.00 O ATOM 1394 CB VAL A 92 1.272 10.679 -5.454 1.00 0.00 C ATOM 1395 CG1 VAL A 92 2.662 11.163 -5.887 1.00 0.00 C ATOM 1396 CG2 VAL A 92 0.573 11.887 -4.825 1.00 0.00 C ATOM 0 H VAL A 92 -0.797 8.766 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 92 0.243 10.929 -7.341 1.00 0.00 H new ATOM 0 HB VAL A 92 1.371 9.852 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.202 11.542 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.216 10.333 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.557 11.958 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.173 12.265 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.455 12.670 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.408 11.588 -4.455 1.00 0.00 H new ATOM 1406 N LYS A 93 1.172 7.776 -7.001 1.00 0.00 N ATOM 1407 CA LYS A 93 1.797 6.635 -7.711 1.00 0.00 C ATOM 1408 C LYS A 93 0.919 5.384 -7.648 1.00 0.00 C ATOM 1409 O LYS A 93 0.262 5.150 -6.635 1.00 0.00 O ATOM 1410 CB LYS A 93 3.177 6.274 -7.114 1.00 0.00 C ATOM 1411 CG LYS A 93 4.322 7.271 -7.343 1.00 0.00 C ATOM 1412 CD LYS A 93 4.720 7.375 -8.824 1.00 0.00 C ATOM 1413 CE LYS A 93 6.040 8.131 -9.017 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.203 7.332 -8.560 1.00 0.00 N ATOM 0 H LYS A 93 0.689 7.497 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 93 1.915 6.956 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.056 6.140 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.481 5.311 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.022 8.254 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.189 6.966 -6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.812 6.374 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.929 7.882 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.164 8.384 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.005 9.071 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.084 7.807 -8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.177 7.242 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.165 6.386 -8.991 1.00 0.00 H new ATOM 1428 N ARG A 94 0.992 4.539 -8.683 1.00 0.00 N ATOM 1429 CA ARG A 94 0.550 3.132 -8.660 1.00 0.00 C ATOM 1430 C ARG A 94 1.641 2.216 -9.225 1.00 0.00 C ATOM 1431 O ARG A 94 2.239 2.521 -10.257 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.809 2.989 -9.374 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.422 1.577 -9.284 1.00 0.00 C ATOM 1434 CD ARG A 94 -1.019 0.660 -10.450 1.00 0.00 C ATOM 1435 NE ARG A 94 -1.562 -0.705 -10.288 1.00 0.00 N ATOM 1436 CZ ARG A 94 -2.031 -1.496 -11.236 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -2.046 -1.155 -12.493 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -2.499 -2.668 -10.929 1.00 0.00 N ATOM 0 H ARG A 94 1.371 4.819 -9.588 1.00 0.00 H new ATOM 0 HA ARG A 94 0.392 2.812 -7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.510 3.706 -8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.685 3.253 -10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.115 1.115 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.508 1.662 -9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.378 1.085 -11.387 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.068 0.613 -10.517 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.576 -1.078 -9.339 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.686 -0.245 -12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.418 -1.798 -13.192 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.504 -2.976 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.862 -3.280 -11.660 1.00 0.00 H new ATOM 1452 N ILE A 95 1.870 1.090 -8.555 1.00 0.00 N ATOM 1453 CA ILE A 95 2.834 0.035 -8.898 1.00 0.00 C ATOM 1454 C ILE A 95 2.110 -1.323 -8.857 1.00 0.00 C ATOM 1455 O ILE A 95 1.229 -1.522 -8.019 1.00 0.00 O ATOM 1456 CB ILE A 95 4.047 0.041 -7.925 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.515 1.451 -7.478 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.216 -0.732 -8.558 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.603 1.442 -6.395 1.00 0.00 C ATOM 0 H ILE A 95 1.356 0.871 -7.701 1.00 0.00 H new ATOM 0 HA ILE A 95 3.225 0.216 -9.899 1.00 0.00 H new ATOM 0 HB ILE A 95 3.704 -0.448 -7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.890 1.989 -8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.654 2.006 -7.106 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.066 -0.728 -7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.910 -1.760 -8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.501 -0.256 -9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.872 2.467 -6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.228 0.935 -5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.483 0.918 -6.768 1.00 0.00 H new ATOM 1471 N VAL A 96 2.475 -2.266 -9.729 1.00 0.00 N ATOM 1472 CA VAL A 96 2.008 -3.669 -9.688 1.00 0.00 C ATOM 1473 C VAL A 96 3.162 -4.661 -9.876 1.00 0.00 C ATOM 1474 O VAL A 96 4.157 -4.362 -10.544 1.00 0.00 O ATOM 1475 CB VAL A 96 0.793 -3.922 -10.617 1.00 0.00 C ATOM 1476 CG1 VAL A 96 0.949 -3.258 -11.995 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.440 -5.395 -10.863 1.00 0.00 C ATOM 0 H VAL A 96 3.115 -2.080 -10.501 1.00 0.00 H new ATOM 0 HA VAL A 96 1.627 -3.854 -8.684 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.020 -3.469 -10.050 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.069 -3.469 -12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.054 -2.180 -11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.835 -3.653 -12.491 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.424 -5.456 -11.525 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.288 -5.900 -11.325 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.204 -5.876 -9.914 1.00 0.00 H new ATOM 1487 N GLY A 97 3.046 -5.831 -9.242 1.00 0.00 N ATOM 1488 CA GLY A 97 4.070 -6.883 -9.232 1.00 0.00 C ATOM 1489 C GLY A 97 5.200 -6.620 -8.228 1.00 0.00 C ATOM 1490 O GLY A 97 5.368 -5.499 -7.740 1.00 0.00 O ATOM 0 H GLY A 97 2.215 -6.081 -8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.599 -7.837 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.495 -6.976 -10.231 1.00 0.00 H new ATOM 1494 N ALA A 98 5.991 -7.653 -7.925 1.00 0.00 N ATOM 1495 CA ALA A 98 7.041 -7.598 -6.902 1.00 0.00 C ATOM 1496 C ALA A 98 8.109 -6.519 -7.180 1.00 0.00 C ATOM 1497 O ALA A 98 8.446 -6.237 -8.335 1.00 0.00 O ATOM 1498 CB ALA A 98 7.682 -8.984 -6.763 1.00 0.00 C ATOM 0 H ALA A 98 5.921 -8.560 -8.387 1.00 0.00 H new ATOM 0 HA ALA A 98 6.570 -7.309 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.463 -8.949 -6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.922 -9.708 -6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.117 -9.281 -7.717 1.00 0.00 H new ATOM 1504 N LYS A 99 8.643 -5.926 -6.105 1.00 0.00 N ATOM 1505 CA LYS A 99 9.755 -4.957 -6.105 1.00 0.00 C ATOM 1506 C LYS A 99 10.745 -5.292 -4.984 1.00 0.00 C ATOM 1507 O LYS A 99 10.326 -5.730 -3.913 1.00 0.00 O ATOM 1508 CB LYS A 99 9.223 -3.515 -5.931 1.00 0.00 C ATOM 1509 CG LYS A 99 8.232 -3.032 -7.001 1.00 0.00 C ATOM 1510 CD LYS A 99 8.880 -2.886 -8.386 1.00 0.00 C ATOM 1511 CE LYS A 99 7.858 -2.811 -9.528 1.00 0.00 C ATOM 1512 NZ LYS A 99 7.046 -4.053 -9.646 1.00 0.00 N ATOM 0 H LYS A 99 8.297 -6.116 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 99 10.269 -5.021 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.740 -3.442 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.074 -2.834 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.402 -3.735 -7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.814 -2.072 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.496 -1.987 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.547 -3.731 -8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.195 -1.961 -9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.380 -2.631 -10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.739 -4.175 -10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.620 -4.871 -9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.211 -3.982 -9.030 1.00 0.00 H new ATOM 1526 N GLY A 100 12.036 -5.050 -5.214 1.00 0.00 N ATOM 1527 CA GLY A 100 13.064 -5.041 -4.170 1.00 0.00 C ATOM 1528 C GLY A 100 13.176 -3.665 -3.511 1.00 0.00 C ATOM 1529 O GLY A 100 12.655 -2.675 -4.032 1.00 0.00 O ATOM 0 H GLY A 100 12.403 -4.852 -6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.825 -5.790 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.026 -5.319 -4.601 1.00 0.00 H new ATOM 1533 N LYS A 101 13.888 -3.587 -2.382 1.00 0.00 N ATOM 1534 CA LYS A 101 14.121 -2.345 -1.611 1.00 0.00 C ATOM 1535 C LYS A 101 14.636 -1.187 -2.455 1.00 0.00 C ATOM 1536 O LYS A 101 14.196 -0.059 -2.264 1.00 0.00 O ATOM 1537 CB LYS A 101 15.093 -2.654 -0.459 1.00 0.00 C ATOM 1538 CG LYS A 101 15.187 -1.568 0.627 1.00 0.00 C ATOM 1539 CD LYS A 101 13.885 -1.408 1.429 1.00 0.00 C ATOM 1540 CE LYS A 101 14.031 -0.448 2.615 1.00 0.00 C ATOM 1541 NZ LYS A 101 14.997 -0.953 3.624 1.00 0.00 N ATOM 0 H LYS A 101 14.333 -4.403 -1.962 1.00 0.00 H new ATOM 0 HA LYS A 101 13.157 -2.014 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.789 -3.590 0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.087 -2.815 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.000 -1.814 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.439 -0.616 0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.099 -1.044 0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.567 -2.384 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.360 0.527 2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.059 -0.302 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.860 -0.445 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.841 -1.970 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.967 -0.798 3.283 1.00 0.00 H new ATOM 1555 N ALA A 102 15.507 -1.476 -3.417 1.00 0.00 N ATOM 1556 CA ALA A 102 16.059 -0.463 -4.315 1.00 0.00 C ATOM 1557 C ALA A 102 14.968 0.152 -5.215 1.00 0.00 C ATOM 1558 O ALA A 102 14.765 1.365 -5.202 1.00 0.00 O ATOM 1559 CB ALA A 102 17.203 -1.089 -5.124 1.00 0.00 C ATOM 0 H ALA A 102 15.851 -2.419 -3.597 1.00 0.00 H new ATOM 0 HA ALA A 102 16.459 0.365 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.623 -0.342 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.979 -1.442 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.821 -1.928 -5.705 1.00 0.00 H new ATOM 1565 N ALA A 103 14.208 -0.678 -5.938 1.00 0.00 N ATOM 1566 CA ALA A 103 13.180 -0.208 -6.868 1.00 0.00 C ATOM 1567 C ALA A 103 11.971 0.410 -6.145 1.00 0.00 C ATOM 1568 O ALA A 103 11.522 1.501 -6.522 1.00 0.00 O ATOM 1569 CB ALA A 103 12.769 -1.378 -7.771 1.00 0.00 C ATOM 0 H ALA A 103 14.290 -1.694 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 103 13.594 0.596 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.003 -1.045 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.638 -1.732 -8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.374 -2.189 -7.159 1.00 0.00 H new ATOM 1575 N LEU A 104 11.482 -0.237 -5.072 1.00 0.00 N ATOM 1576 CA LEU A 104 10.376 0.306 -4.287 1.00 0.00 C ATOM 1577 C LEU A 104 10.787 1.633 -3.638 1.00 0.00 C ATOM 1578 O LEU A 104 10.044 2.609 -3.749 1.00 0.00 O ATOM 1579 CB LEU A 104 9.870 -0.721 -3.254 1.00 0.00 C ATOM 1580 CG LEU A 104 8.652 -0.233 -2.435 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.494 0.248 -3.312 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.112 -1.354 -1.548 1.00 0.00 C ATOM 0 H LEU A 104 11.838 -1.132 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 104 9.539 0.513 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.603 -1.642 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.682 -0.965 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 104 9.019 0.604 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.670 0.577 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.829 1.079 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.157 -0.569 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.256 -0.989 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.803 -2.194 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.891 -1.680 -0.859 1.00 0.00 H new ATOM 1594 N LEU A 105 11.990 1.724 -3.046 1.00 0.00 N ATOM 1595 CA LEU A 105 12.440 3.006 -2.514 1.00 0.00 C ATOM 1596 C LEU A 105 12.608 4.047 -3.612 1.00 0.00 C ATOM 1597 O LEU A 105 12.240 5.161 -3.319 1.00 0.00 O ATOM 1598 CB LEU A 105 13.699 2.931 -1.638 1.00 0.00 C ATOM 1599 CG LEU A 105 14.081 4.295 -0.998 1.00 0.00 C ATOM 1600 CD1 LEU A 105 13.007 4.878 -0.074 1.00 0.00 C ATOM 1601 CD2 LEU A 105 15.335 4.074 -0.158 1.00 0.00 C ATOM 0 H LEU A 105 12.644 0.950 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 105 11.637 3.321 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.541 2.198 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.533 2.574 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 105 14.218 5.002 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.353 5.829 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.088 5.036 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.815 4.184 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.632 5.014 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 105 15.129 3.335 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 105 16.142 3.714 -0.797 1.00 0.00 H new ATOM 1613 N ARG A 106 13.065 3.778 -4.846 1.00 0.00 N ATOM 1614 CA ARG A 106 13.113 4.849 -5.872 1.00 0.00 C ATOM 1615 C ARG A 106 11.720 5.391 -6.225 1.00 0.00 C ATOM 1616 O ARG A 106 11.482 6.612 -6.168 1.00 0.00 O ATOM 1617 CB ARG A 106 13.885 4.423 -7.133 1.00 0.00 C ATOM 1618 CG ARG A 106 15.402 4.248 -6.939 1.00 0.00 C ATOM 1619 CD ARG A 106 16.129 5.390 -6.203 1.00 0.00 C ATOM 1620 NE ARG A 106 15.945 6.718 -6.829 1.00 0.00 N ATOM 1621 CZ ARG A 106 16.541 7.171 -7.919 1.00 0.00 C ATOM 1622 NH1 ARG A 106 17.327 6.427 -8.650 1.00 0.00 N ATOM 1623 NH2 ARG A 106 16.364 8.397 -8.312 1.00 0.00 N ATOM 0 H ARG A 106 13.397 2.865 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 106 13.669 5.669 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.469 3.483 -7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.717 5.167 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.573 3.322 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.861 4.125 -7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.772 5.431 -5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 106 17.194 5.163 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 106 15.289 7.351 -6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 106 17.501 5.457 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.767 6.816 -9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.760 9.022 -7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 106 16.829 8.735 -9.155 1.00 0.00 H new ATOM 1637 N GLU A 107 10.783 4.475 -6.487 1.00 0.00 N ATOM 1638 CA GLU A 107 9.385 4.827 -6.775 1.00 0.00 C ATOM 1639 C GLU A 107 8.728 5.637 -5.644 1.00 0.00 C ATOM 1640 O GLU A 107 7.921 6.528 -5.921 1.00 0.00 O ATOM 1641 CB GLU A 107 8.562 3.565 -7.068 1.00 0.00 C ATOM 1642 CG GLU A 107 8.866 2.961 -8.447 1.00 0.00 C ATOM 1643 CD GLU A 107 8.531 3.896 -9.631 1.00 0.00 C ATOM 1644 OE1 GLU A 107 7.650 4.780 -9.497 1.00 0.00 O ATOM 1645 OE2 GLU A 107 9.155 3.749 -10.709 1.00 0.00 O ATOM 0 H GLU A 107 10.969 3.472 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 107 9.400 5.466 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.762 2.820 -6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.501 3.807 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.923 2.699 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.303 2.034 -8.559 1.00 0.00 H new ATOM 1652 N LEU A 108 9.117 5.383 -4.389 1.00 0.00 N ATOM 1653 CA LEU A 108 8.726 6.181 -3.222 1.00 0.00 C ATOM 1654 C LEU A 108 9.634 7.399 -2.977 1.00 0.00 C ATOM 1655 O LEU A 108 9.178 8.381 -2.405 1.00 0.00 O ATOM 1656 CB LEU A 108 8.702 5.269 -1.986 1.00 0.00 C ATOM 1657 CG LEU A 108 7.700 4.102 -2.079 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.901 3.177 -0.885 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.249 4.576 -2.099 1.00 0.00 C ATOM 0 H LEU A 108 9.726 4.600 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 108 7.735 6.589 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.701 4.863 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.461 5.871 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 108 7.890 3.582 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.195 2.348 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.919 2.788 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.733 3.732 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.585 3.714 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.034 5.130 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.090 5.224 -2.961 1.00 0.00 H new ATOM 1671 N SER A 109 10.890 7.380 -3.426 1.00 0.00 N ATOM 1672 CA SER A 109 11.896 8.443 -3.256 1.00 0.00 C ATOM 1673 C SER A 109 11.497 9.681 -4.063 1.00 0.00 C ATOM 1674 O SER A 109 11.831 10.808 -3.700 1.00 0.00 O ATOM 1675 CB SER A 109 13.328 8.029 -3.634 1.00 0.00 C ATOM 1676 OG SER A 109 13.575 8.048 -5.033 1.00 0.00 O ATOM 0 H SER A 109 11.257 6.583 -3.946 1.00 0.00 H new ATOM 0 HA SER A 109 11.911 8.662 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.033 8.698 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.520 7.026 -3.253 1.00 0.00 H new ATOM 0 HG SER A 109 12.835 7.608 -5.502 1.00 0.00 H new ATOM 1682 N ASP A 110 10.704 9.484 -5.126 1.00 0.00 N ATOM 1683 CA ASP A 110 9.993 10.602 -5.779 1.00 0.00 C ATOM 1684 C ASP A 110 9.096 11.436 -4.821 1.00 0.00 C ATOM 1685 O ASP A 110 8.823 12.605 -5.102 1.00 0.00 O ATOM 1686 CB ASP A 110 9.165 10.077 -6.959 1.00 0.00 C ATOM 1687 CG ASP A 110 10.023 9.612 -8.147 1.00 0.00 C ATOM 1688 OD1 ASP A 110 11.015 10.294 -8.502 1.00 0.00 O ATOM 1689 OD2 ASP A 110 9.655 8.585 -8.765 1.00 0.00 O ATOM 0 H ASP A 110 10.537 8.572 -5.551 1.00 0.00 H new ATOM 0 HA ASP A 110 10.765 11.286 -6.130 1.00 0.00 H new ATOM 0 HB2 ASP A 110 8.547 9.246 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.487 10.861 -7.295 1.00 0.00 H new ATOM 1694 N VAL A 111 8.676 10.873 -3.677 1.00 0.00 N ATOM 1695 CA VAL A 111 7.939 11.523 -2.574 1.00 0.00 C ATOM 1696 C VAL A 111 8.778 11.618 -1.279 1.00 0.00 C ATOM 1697 O VAL A 111 8.524 12.484 -0.441 1.00 0.00 O ATOM 1698 CB VAL A 111 6.605 10.771 -2.367 1.00 0.00 C ATOM 1699 CG1 VAL A 111 5.833 11.209 -1.123 1.00 0.00 C ATOM 1700 CG2 VAL A 111 5.690 11.007 -3.580 1.00 0.00 C ATOM 0 H VAL A 111 8.852 9.887 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 111 7.726 12.558 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 111 6.873 9.722 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.909 10.636 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.442 11.034 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.596 12.270 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.749 10.477 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.493 12.074 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.179 10.638 -4.482 1.00 0.00 H new ATOM 1710 N VAL A 112 9.820 10.790 -1.139 1.00 0.00 N ATOM 1711 CA VAL A 112 10.849 10.803 -0.079 1.00 0.00 C ATOM 1712 C VAL A 112 12.189 11.279 -0.677 1.00 0.00 C ATOM 1713 O VAL A 112 13.111 10.475 -0.855 1.00 0.00 O ATOM 1714 CB VAL A 112 10.939 9.425 0.632 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.828 9.503 1.882 1.00 0.00 C ATOM 1716 CG2 VAL A 112 9.556 8.925 1.084 1.00 0.00 C ATOM 0 H VAL A 112 9.983 10.038 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 112 10.572 11.511 0.702 1.00 0.00 H new ATOM 0 HB VAL A 112 11.364 8.736 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.872 8.524 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.833 9.813 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.411 10.228 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.662 7.959 1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.120 9.641 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.905 8.820 0.216 1.00 0.00 H new ATOM 1726 N PRO A 113 12.334 12.585 -1.004 1.00 0.00 N ATOM 1727 CA PRO A 113 13.531 13.129 -1.657 1.00 0.00 C ATOM 1728 C PRO A 113 14.795 13.016 -0.791 1.00 0.00 C ATOM 1729 O PRO A 113 15.909 13.149 -1.298 1.00 0.00 O ATOM 1730 CB PRO A 113 13.195 14.590 -1.977 1.00 0.00 C ATOM 1731 CG PRO A 113 12.187 14.960 -0.893 1.00 0.00 C ATOM 1732 CD PRO A 113 11.391 13.667 -0.750 1.00 0.00 C ATOM 0 HA PRO A 113 13.769 12.558 -2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 113 14.080 15.225 -1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.770 14.696 -2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.675 15.244 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.556 15.797 -1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.960 13.583 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.563 13.638 -1.459 1.00 0.00 H new ATOM 1740 N ASN A 114 14.636 12.716 0.503 1.00 0.00 N ATOM 1741 CA ASN A 114 15.730 12.464 1.442 1.00 0.00 C ATOM 1742 C ASN A 114 16.601 11.250 1.046 1.00 0.00 C ATOM 1743 O ASN A 114 17.766 11.190 1.442 1.00 0.00 O ATOM 1744 CB ASN A 114 15.122 12.272 2.844 1.00 0.00 C ATOM 1745 CG ASN A 114 14.356 13.498 3.317 1.00 0.00 C ATOM 1746 OD1 ASN A 114 13.173 13.656 3.048 1.00 0.00 O ATOM 1747 ND2 ASN A 114 15.006 14.418 3.993 1.00 0.00 N ATOM 0 H ASN A 114 13.716 12.640 0.936 1.00 0.00 H new ATOM 0 HA ASN A 114 16.403 13.322 1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.453 11.411 2.832 1.00 0.00 H new ATOM 0 HB3 ASN A 114 15.918 12.048 3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 114 14.524 15.265 4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 114 15.992 14.285 4.217 1.00 0.00 H new ATOM 1754 N LEU A 115 16.056 10.301 0.267 1.00 0.00 N ATOM 1755 CA LEU A 115 16.731 9.076 -0.186 1.00 0.00 C ATOM 1756 C LEU A 115 16.676 8.900 -1.724 1.00 0.00 C ATOM 1757 O LEU A 115 16.703 7.774 -2.228 1.00 0.00 O ATOM 1758 CB LEU A 115 16.146 7.872 0.582 1.00 0.00 C ATOM 1759 CG LEU A 115 16.272 7.930 2.119 1.00 0.00 C ATOM 1760 CD1 LEU A 115 15.499 6.776 2.756 1.00 0.00 C ATOM 1761 CD2 LEU A 115 17.726 7.826 2.587 1.00 0.00 C ATOM 0 H LEU A 115 15.098 10.370 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 115 17.794 9.150 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 115 15.090 7.780 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 115 16.639 6.966 0.230 1.00 0.00 H new ATOM 0 HG LEU A 115 15.866 8.894 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 115 15.596 6.828 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 115 14.447 6.848 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 115 15.903 5.828 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 115 17.762 7.872 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.150 6.880 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 115 18.302 8.652 2.170 1.00 0.00 H new ATOM 1773 N ASN A 116 16.570 10.011 -2.471 1.00 0.00 N ATOM 1774 CA ASN A 116 16.450 10.053 -3.939 1.00 0.00 C ATOM 1775 C ASN A 116 17.794 10.375 -4.630 1.00 0.00 C ATOM 1776 O ASN A 116 18.410 9.447 -5.201 1.00 0.00 O ATOM 1777 CB ASN A 116 15.302 11.022 -4.305 1.00 0.00 C ATOM 1778 CG ASN A 116 14.807 10.928 -5.743 1.00 0.00 C ATOM 1779 OD1 ASN A 116 15.485 10.481 -6.658 1.00 0.00 O ATOM 1780 ND2 ASN A 116 13.591 11.352 -5.991 1.00 0.00 N ATOM 1781 OXT ASN A 116 18.248 11.542 -4.563 1.00 0.00 O ATOM 0 H ASN A 116 16.565 10.941 -2.053 1.00 0.00 H new ATOM 0 HA ASN A 116 16.194 9.065 -4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 116 14.462 10.834 -3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 116 15.636 12.043 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 116 13.219 11.307 -6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 116 13.017 11.726 -5.235 1.00 0.00 H new TER 1788 ASN A 116