USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 62:sc= 0.114 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 137:sc= -0.733 (180deg=-3.18!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -58:sc= -0.0387 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -19:sc= 0.73 USER MOD Single : A 47 GLN : amide:sc= -0.125 K(o=-0.13,f=0.49) USER MOD Single : A 61 TYR OH : rot 74:sc= 0.247 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -116:sc= -4.28! (180deg=-9.3!) USER MOD Single : A 72 HIS : no HD1:sc= -5.14! C(o=-5.1!,f=-4.8!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.158 USER MOD Single : A 74 HIS : no HE2:sc= -2.72! C(o=-2.7!,f=-11!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.009 -17.886 4.355 1.00 0.00 N ATOM 2 CA GLY A 1 1.092 -16.918 4.330 1.00 0.00 C ATOM 3 C GLY A 1 1.677 -16.715 5.729 1.00 0.00 C ATOM 4 O GLY A 1 0.961 -16.350 6.659 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.371 -18.006 3.395 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.367 -18.799 4.703 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.745 -17.547 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.874 -17.259 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.726 -15.967 3.943 1.00 0.00 H new ATOM 8 N SER A 2 2.975 -16.959 5.833 1.00 0.00 N ATOM 9 CA SER A 2 3.666 -16.808 7.102 1.00 0.00 C ATOM 10 C SER A 2 5.109 -16.360 6.863 1.00 0.00 C ATOM 11 O SER A 2 5.609 -16.435 5.741 1.00 0.00 O ATOM 12 CB SER A 2 3.640 -18.111 7.902 1.00 0.00 C ATOM 13 OG SER A 2 3.135 -17.919 9.221 1.00 0.00 O ATOM 0 H SER A 2 3.567 -17.260 5.059 1.00 0.00 H new ATOM 0 HA SER A 2 3.148 -16.046 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.024 -18.844 7.381 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.648 -18.523 7.956 1.00 0.00 H new ATOM 0 HG SER A 2 3.133 -18.775 9.698 1.00 0.00 H new ATOM 18 N SER A 3 5.740 -15.903 7.936 1.00 0.00 N ATOM 19 CA SER A 3 7.116 -15.444 7.857 1.00 0.00 C ATOM 20 C SER A 3 7.205 -14.213 6.952 1.00 0.00 C ATOM 21 O SER A 3 6.433 -14.078 6.004 1.00 0.00 O ATOM 22 CB SER A 3 8.038 -16.550 7.338 1.00 0.00 C ATOM 23 OG SER A 3 7.967 -17.724 8.144 1.00 0.00 O ATOM 0 H SER A 3 5.323 -15.841 8.865 1.00 0.00 H new ATOM 0 HA SER A 3 7.445 -15.176 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.766 -16.797 6.312 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.065 -16.186 7.317 1.00 0.00 H new ATOM 0 HG SER A 3 8.568 -18.407 7.780 1.00 0.00 H new ATOM 28 N GLY A 4 8.152 -13.346 7.278 1.00 0.00 N ATOM 29 CA GLY A 4 8.353 -12.131 6.507 1.00 0.00 C ATOM 30 C GLY A 4 9.716 -12.140 5.812 1.00 0.00 C ATOM 31 O GLY A 4 10.167 -13.180 5.336 1.00 0.00 O ATOM 0 H GLY A 4 8.789 -13.461 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.562 -12.034 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.282 -11.264 7.163 1.00 0.00 H new ATOM 35 N SER A 5 10.334 -10.969 5.779 1.00 0.00 N ATOM 36 CA SER A 5 11.637 -10.828 5.150 1.00 0.00 C ATOM 37 C SER A 5 12.103 -9.373 5.232 1.00 0.00 C ATOM 38 O SER A 5 11.321 -8.485 5.567 1.00 0.00 O ATOM 39 CB SER A 5 11.599 -11.292 3.694 1.00 0.00 C ATOM 40 OG SER A 5 12.346 -12.490 3.495 1.00 0.00 O ATOM 0 H SER A 5 9.957 -10.109 6.177 1.00 0.00 H new ATOM 0 HA SER A 5 12.345 -11.460 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.564 -11.456 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.997 -10.506 3.053 1.00 0.00 H new ATOM 0 HG SER A 5 11.954 -13.212 4.029 1.00 0.00 H new ATOM 45 N SER A 6 13.375 -9.174 4.918 1.00 0.00 N ATOM 46 CA SER A 6 13.954 -7.842 4.952 1.00 0.00 C ATOM 47 C SER A 6 13.852 -7.192 3.571 1.00 0.00 C ATOM 48 O SER A 6 13.391 -7.820 2.619 1.00 0.00 O ATOM 49 CB SER A 6 15.414 -7.887 5.409 1.00 0.00 C ATOM 50 OG SER A 6 15.529 -7.903 6.829 1.00 0.00 O ATOM 0 H SER A 6 14.020 -9.913 4.639 1.00 0.00 H new ATOM 0 HA SER A 6 13.394 -7.244 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.896 -8.773 4.996 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.945 -7.022 5.012 1.00 0.00 H new ATOM 0 HG SER A 6 16.476 -7.934 7.080 1.00 0.00 H new ATOM 55 N GLY A 7 14.287 -5.942 3.506 1.00 0.00 N ATOM 56 CA GLY A 7 14.249 -5.200 2.258 1.00 0.00 C ATOM 57 C GLY A 7 13.289 -4.012 2.355 1.00 0.00 C ATOM 58 O GLY A 7 12.101 -4.190 2.614 1.00 0.00 O ATOM 0 H GLY A 7 14.668 -5.424 4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.249 -4.844 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.937 -5.859 1.448 1.00 0.00 H new ATOM 62 N LEU A 8 13.842 -2.827 2.141 1.00 0.00 N ATOM 63 CA LEU A 8 13.051 -1.611 2.201 1.00 0.00 C ATOM 64 C LEU A 8 11.814 -1.767 1.314 1.00 0.00 C ATOM 65 O LEU A 8 10.686 -1.609 1.781 1.00 0.00 O ATOM 66 CB LEU A 8 13.909 -0.394 1.849 1.00 0.00 C ATOM 67 CG LEU A 8 14.582 0.315 3.026 1.00 0.00 C ATOM 68 CD1 LEU A 8 15.190 1.648 2.588 1.00 0.00 C ATOM 69 CD2 LEU A 8 13.607 0.486 4.193 1.00 0.00 C ATOM 0 H LEU A 8 14.829 -2.684 1.926 1.00 0.00 H new ATOM 0 HA LEU A 8 12.696 -1.439 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.683 -0.710 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.283 0.328 1.325 1.00 0.00 H new ATOM 0 HG LEU A 8 15.401 -0.312 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.662 2.131 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.937 1.470 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.405 2.294 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.110 0.993 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.753 1.080 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.262 -0.493 4.526 1.00 0.00 H new ATOM 80 N ARG A 9 12.067 -2.077 0.051 1.00 0.00 N ATOM 81 CA ARG A 9 10.988 -2.256 -0.906 1.00 0.00 C ATOM 82 C ARG A 9 10.151 -3.482 -0.537 1.00 0.00 C ATOM 83 O ARG A 9 8.942 -3.506 -0.768 1.00 0.00 O ATOM 84 CB ARG A 9 11.533 -2.428 -2.326 1.00 0.00 C ATOM 85 CG ARG A 9 10.399 -2.674 -3.322 1.00 0.00 C ATOM 86 CD ARG A 9 10.662 -3.933 -4.151 1.00 0.00 C ATOM 87 NE ARG A 9 11.926 -3.786 -4.908 1.00 0.00 N ATOM 88 CZ ARG A 9 12.420 -4.718 -5.734 1.00 0.00 C ATOM 89 NH1 ARG A 9 11.760 -5.869 -5.916 1.00 0.00 N ATOM 90 NH2 ARG A 9 13.574 -4.499 -6.378 1.00 0.00 N ATOM 0 H ARG A 9 13.003 -2.209 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 9 10.365 -1.362 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.090 -1.537 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.233 -3.264 -2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.455 -2.777 -2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.298 -1.813 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.719 -4.803 -3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.834 -4.105 -4.839 1.00 0.00 H new ATOM 0 HE ARG A 9 12.454 -2.921 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.881 -6.036 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.136 -6.579 -6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.077 -3.622 -6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.950 -5.209 -7.007 1.00 0.00 H new ATOM 101 N LYS A 10 10.825 -4.471 0.030 1.00 0.00 N ATOM 102 CA LYS A 10 10.159 -5.698 0.434 1.00 0.00 C ATOM 103 C LYS A 10 9.255 -5.411 1.634 1.00 0.00 C ATOM 104 O LYS A 10 8.261 -6.104 1.848 1.00 0.00 O ATOM 105 CB LYS A 10 11.182 -6.807 0.685 1.00 0.00 C ATOM 106 CG LYS A 10 10.538 -7.997 1.397 1.00 0.00 C ATOM 107 CD LYS A 10 9.314 -8.500 0.628 1.00 0.00 C ATOM 108 CE LYS A 10 9.733 -9.272 -0.625 1.00 0.00 C ATOM 109 NZ LYS A 10 8.654 -10.190 -1.051 1.00 0.00 N ATOM 0 H LYS A 10 11.827 -4.448 0.220 1.00 0.00 H new ATOM 0 HA LYS A 10 9.518 -6.065 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.609 -7.134 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.003 -6.419 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.265 -8.803 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.244 -7.706 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.714 -9.143 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.685 -7.656 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.964 -8.574 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.642 -9.838 -0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.954 -10.707 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.453 -10.867 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.796 -9.642 -1.263 1.00 0.00 H new ATOM 119 N MET A 11 9.632 -4.388 2.387 1.00 0.00 N ATOM 120 CA MET A 11 8.868 -4.001 3.561 1.00 0.00 C ATOM 121 C MET A 11 7.552 -3.332 3.162 1.00 0.00 C ATOM 122 O MET A 11 6.485 -3.719 3.638 1.00 0.00 O ATOM 123 CB MET A 11 9.695 -3.035 4.413 1.00 0.00 C ATOM 124 CG MET A 11 10.856 -3.761 5.095 1.00 0.00 C ATOM 125 SD MET A 11 10.848 -3.414 6.845 1.00 0.00 S ATOM 126 CE MET A 11 12.041 -2.087 6.903 1.00 0.00 C ATOM 0 H MET A 11 10.457 -3.815 2.207 1.00 0.00 H new ATOM 0 HA MET A 11 8.638 -4.899 4.134 1.00 0.00 H new ATOM 0 HB2 MET A 11 10.082 -2.232 3.786 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.058 -2.572 5.167 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.772 -4.835 4.928 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.802 -3.443 4.657 1.00 0.00 H new ATOM 0 HE1 MET A 11 11.678 -1.300 7.564 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.991 -2.468 7.279 1.00 0.00 H new ATOM 0 HE3 MET A 11 12.184 -1.682 5.901 1.00 0.00 H new ATOM 134 N VAL A 12 7.668 -2.339 2.292 1.00 0.00 N ATOM 135 CA VAL A 12 6.501 -1.612 1.824 1.00 0.00 C ATOM 136 C VAL A 12 5.680 -2.515 0.901 1.00 0.00 C ATOM 137 O VAL A 12 4.477 -2.316 0.743 1.00 0.00 O ATOM 138 CB VAL A 12 6.931 -0.305 1.155 1.00 0.00 C ATOM 139 CG1 VAL A 12 8.143 -0.528 0.248 1.00 0.00 C ATOM 140 CG2 VAL A 12 5.771 0.320 0.378 1.00 0.00 C ATOM 0 H VAL A 12 8.554 -2.021 1.899 1.00 0.00 H new ATOM 0 HA VAL A 12 5.861 -1.336 2.662 1.00 0.00 H new ATOM 0 HB VAL A 12 7.223 0.394 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.429 0.416 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.975 -0.908 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.889 -1.251 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.103 1.248 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.434 -0.373 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.948 0.531 1.061 1.00 0.00 H new ATOM 150 N GLU A 13 6.365 -3.487 0.315 1.00 0.00 N ATOM 151 CA GLU A 13 5.714 -4.421 -0.588 1.00 0.00 C ATOM 152 C GLU A 13 4.499 -5.056 0.091 1.00 0.00 C ATOM 153 O GLU A 13 3.426 -5.144 -0.505 1.00 0.00 O ATOM 154 CB GLU A 13 6.695 -5.491 -1.070 1.00 0.00 C ATOM 155 CG GLU A 13 7.483 -5.004 -2.287 1.00 0.00 C ATOM 156 CD GLU A 13 6.928 -5.609 -3.578 1.00 0.00 C ATOM 157 OE1 GLU A 13 5.689 -5.573 -3.735 1.00 0.00 O ATOM 158 OE2 GLU A 13 7.757 -6.093 -4.379 1.00 0.00 O ATOM 0 H GLU A 13 7.363 -3.648 0.448 1.00 0.00 H new ATOM 0 HA GLU A 13 5.370 -3.870 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.384 -5.747 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.151 -6.400 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.438 -3.916 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.533 -5.274 -2.177 1.00 0.00 H new ATOM 163 N GLU A 14 4.706 -5.483 1.328 1.00 0.00 N ATOM 164 CA GLU A 14 3.642 -6.107 2.093 1.00 0.00 C ATOM 165 C GLU A 14 2.669 -5.046 2.613 1.00 0.00 C ATOM 166 O GLU A 14 1.459 -5.270 2.643 1.00 0.00 O ATOM 167 CB GLU A 14 4.210 -6.942 3.243 1.00 0.00 C ATOM 168 CG GLU A 14 4.456 -6.074 4.480 1.00 0.00 C ATOM 169 CD GLU A 14 5.394 -6.776 5.463 1.00 0.00 C ATOM 170 OE1 GLU A 14 6.353 -7.414 4.977 1.00 0.00 O ATOM 171 OE2 GLU A 14 5.131 -6.660 6.680 1.00 0.00 O ATOM 0 H GLU A 14 5.597 -5.409 1.819 1.00 0.00 H new ATOM 0 HA GLU A 14 3.095 -6.781 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.517 -7.746 3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.144 -7.410 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.887 -5.119 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.507 -5.855 4.970 1.00 0.00 H new ATOM 176 N VAL A 15 3.234 -3.916 3.010 1.00 0.00 N ATOM 177 CA VAL A 15 2.432 -2.820 3.527 1.00 0.00 C ATOM 178 C VAL A 15 1.247 -2.574 2.590 1.00 0.00 C ATOM 179 O VAL A 15 0.107 -2.886 2.931 1.00 0.00 O ATOM 180 CB VAL A 15 3.306 -1.579 3.723 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.448 -0.344 4.001 1.00 0.00 C ATOM 182 CG2 VAL A 15 4.328 -1.800 4.840 1.00 0.00 C ATOM 0 H VAL A 15 4.238 -3.735 2.984 1.00 0.00 H new ATOM 0 HA VAL A 15 2.025 -3.073 4.506 1.00 0.00 H new ATOM 0 HB VAL A 15 3.854 -1.405 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.093 0.524 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.777 -0.170 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.861 -0.505 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.936 -0.903 4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.807 -2.011 5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.970 -2.643 4.584 1.00 0.00 H new ATOM 192 N PHE A 16 1.558 -2.018 1.429 1.00 0.00 N ATOM 193 CA PHE A 16 0.533 -1.728 0.441 1.00 0.00 C ATOM 194 C PHE A 16 -0.402 -2.924 0.253 1.00 0.00 C ATOM 195 O PHE A 16 -1.597 -2.751 0.015 1.00 0.00 O ATOM 196 CB PHE A 16 1.252 -1.445 -0.880 1.00 0.00 C ATOM 197 CG PHE A 16 1.872 -0.049 -0.964 1.00 0.00 C ATOM 198 CD1 PHE A 16 1.202 1.023 -0.467 1.00 0.00 C ATOM 199 CD2 PHE A 16 3.093 0.119 -1.540 1.00 0.00 C ATOM 200 CE1 PHE A 16 1.777 2.320 -0.545 1.00 0.00 C ATOM 201 CE2 PHE A 16 3.669 1.414 -1.618 1.00 0.00 C ATOM 202 CZ PHE A 16 2.998 2.488 -1.119 1.00 0.00 C ATOM 0 H PHE A 16 2.505 -1.761 1.150 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.068 -0.879 0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.036 -2.189 -1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.545 -1.567 -1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.232 0.889 -0.012 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.624 -0.733 -1.938 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.244 3.172 -0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.639 1.547 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.435 3.474 -1.179 1.00 0.00 H new ATOM 211 N ASP A 17 0.176 -4.110 0.366 1.00 0.00 N ATOM 212 CA ASP A 17 -0.591 -5.334 0.211 1.00 0.00 C ATOM 213 C ASP A 17 -1.575 -5.466 1.376 1.00 0.00 C ATOM 214 O ASP A 17 -2.788 -5.451 1.173 1.00 0.00 O ATOM 215 CB ASP A 17 0.322 -6.562 0.225 1.00 0.00 C ATOM 216 CG ASP A 17 0.635 -7.150 -1.153 1.00 0.00 C ATOM 217 OD1 ASP A 17 0.497 -6.392 -2.138 1.00 0.00 O ATOM 218 OD2 ASP A 17 1.006 -8.342 -1.191 1.00 0.00 O ATOM 0 H ASP A 17 1.167 -4.250 0.563 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.115 -5.284 -0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.260 -6.293 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.143 -7.335 0.836 1.00 0.00 H new ATOM 222 N VAL A 18 -1.016 -5.589 2.571 1.00 0.00 N ATOM 223 CA VAL A 18 -1.829 -5.721 3.767 1.00 0.00 C ATOM 224 C VAL A 18 -2.908 -4.637 3.768 1.00 0.00 C ATOM 225 O VAL A 18 -4.099 -4.942 3.782 1.00 0.00 O ATOM 226 CB VAL A 18 -0.939 -5.681 5.011 1.00 0.00 C ATOM 227 CG1 VAL A 18 -1.717 -5.168 6.225 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.327 -7.054 5.292 1.00 0.00 C ATOM 0 H VAL A 18 -0.010 -5.600 2.736 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.338 -6.685 3.779 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.123 -4.985 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.062 -5.149 7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.082 -4.161 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.562 -5.828 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.301 -6.997 6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.123 -7.781 5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.278 -7.364 4.440 1.00 0.00 H new ATOM 238 N LEU A 19 -2.452 -3.393 3.755 1.00 0.00 N ATOM 239 CA LEU A 19 -3.364 -2.262 3.754 1.00 0.00 C ATOM 240 C LEU A 19 -4.508 -2.534 2.775 1.00 0.00 C ATOM 241 O LEU A 19 -5.677 -2.507 3.157 1.00 0.00 O ATOM 242 CB LEU A 19 -2.607 -0.964 3.468 1.00 0.00 C ATOM 243 CG LEU A 19 -1.471 -0.623 4.435 1.00 0.00 C ATOM 244 CD1 LEU A 19 -1.116 0.863 4.362 1.00 0.00 C ATOM 245 CD2 LEU A 19 -1.814 -1.060 5.860 1.00 0.00 C ATOM 0 H LEU A 19 -1.463 -3.144 3.745 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.811 -2.134 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.195 -1.021 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.322 -0.141 3.474 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.585 -1.181 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.306 1.078 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.799 1.112 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.990 1.459 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.990 -0.806 6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.718 -0.549 6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.978 -2.137 5.881 1.00 0.00 H new ATOM 256 N TYR A 20 -4.131 -2.792 1.531 1.00 0.00 N ATOM 257 CA TYR A 20 -5.110 -3.070 0.494 1.00 0.00 C ATOM 258 C TYR A 20 -6.025 -4.226 0.900 1.00 0.00 C ATOM 259 O TYR A 20 -7.197 -4.256 0.529 1.00 0.00 O ATOM 260 CB TYR A 20 -4.309 -3.478 -0.743 1.00 0.00 C ATOM 261 CG TYR A 20 -5.172 -3.981 -1.904 1.00 0.00 C ATOM 262 CD1 TYR A 20 -6.273 -3.256 -2.310 1.00 0.00 C ATOM 263 CD2 TYR A 20 -4.848 -5.160 -2.543 1.00 0.00 C ATOM 264 CE1 TYR A 20 -7.084 -3.729 -3.402 1.00 0.00 C ATOM 265 CE2 TYR A 20 -5.659 -5.635 -3.634 1.00 0.00 C ATOM 266 CZ TYR A 20 -6.736 -4.895 -4.010 1.00 0.00 C ATOM 267 OH TYR A 20 -7.502 -5.343 -5.042 1.00 0.00 O ATOM 0 H TYR A 20 -3.160 -2.814 1.218 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.739 -2.198 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.723 -2.624 -1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.602 -4.259 -0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.527 -2.334 -1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.986 -5.727 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.948 -3.171 -3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.418 -6.557 -4.142 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.134 -6.186 -5.380 1.00 0.00 H new ATOM 276 N SER A 21 -5.455 -5.152 1.658 1.00 0.00 N ATOM 277 CA SER A 21 -6.205 -6.308 2.118 1.00 0.00 C ATOM 278 C SER A 21 -7.177 -5.895 3.225 1.00 0.00 C ATOM 279 O SER A 21 -8.368 -6.194 3.154 1.00 0.00 O ATOM 280 CB SER A 21 -5.267 -7.409 2.619 1.00 0.00 C ATOM 281 OG SER A 21 -4.863 -7.193 3.968 1.00 0.00 O ATOM 0 H SER A 21 -4.483 -5.125 1.965 1.00 0.00 H new ATOM 0 HA SER A 21 -6.771 -6.705 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.767 -8.375 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.386 -7.453 1.979 1.00 0.00 H new ATOM 0 HG SER A 21 -4.425 -6.320 4.042 1.00 0.00 H new ATOM 286 N GLU A 22 -6.632 -5.214 4.222 1.00 0.00 N ATOM 287 CA GLU A 22 -7.436 -4.757 5.343 1.00 0.00 C ATOM 288 C GLU A 22 -8.690 -4.038 4.838 1.00 0.00 C ATOM 289 O GLU A 22 -9.769 -4.188 5.411 1.00 0.00 O ATOM 290 CB GLU A 22 -6.622 -3.851 6.269 1.00 0.00 C ATOM 291 CG GLU A 22 -5.857 -4.674 7.308 1.00 0.00 C ATOM 292 CD GLU A 22 -6.374 -4.390 8.720 1.00 0.00 C ATOM 293 OE1 GLU A 22 -5.839 -3.444 9.339 1.00 0.00 O ATOM 294 OE2 GLU A 22 -7.290 -5.123 9.149 1.00 0.00 O ATOM 0 H GLU A 22 -5.644 -4.968 4.277 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.746 -5.628 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.921 -3.259 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.286 -3.149 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.962 -5.736 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.794 -4.440 7.252 1.00 0.00 H new ATOM 299 N ALA A 23 -8.508 -3.275 3.771 1.00 0.00 N ATOM 300 CA ALA A 23 -9.611 -2.535 3.183 1.00 0.00 C ATOM 301 C ALA A 23 -10.557 -3.510 2.480 1.00 0.00 C ATOM 302 O ALA A 23 -11.743 -3.225 2.322 1.00 0.00 O ATOM 303 CB ALA A 23 -9.061 -1.468 2.233 1.00 0.00 C ATOM 0 H ALA A 23 -7.613 -3.153 3.298 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.183 -2.021 3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.888 -0.913 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.419 -0.783 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.483 -1.947 1.443 1.00 0.00 H new ATOM 309 N LEU A 24 -9.997 -4.641 2.078 1.00 0.00 N ATOM 310 CA LEU A 24 -10.777 -5.660 1.395 1.00 0.00 C ATOM 311 C LEU A 24 -11.493 -6.528 2.432 1.00 0.00 C ATOM 312 O LEU A 24 -12.636 -6.932 2.226 1.00 0.00 O ATOM 313 CB LEU A 24 -9.894 -6.456 0.433 1.00 0.00 C ATOM 314 CG LEU A 24 -9.790 -5.908 -0.992 1.00 0.00 C ATOM 315 CD1 LEU A 24 -8.637 -6.567 -1.751 1.00 0.00 C ATOM 316 CD2 LEU A 24 -11.121 -6.054 -1.733 1.00 0.00 C ATOM 0 H LEU A 24 -9.013 -4.875 2.212 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.547 -5.199 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.890 -6.511 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.275 -7.476 0.382 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.568 -4.842 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.586 -6.159 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.699 -6.369 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.803 -7.643 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.020 -5.657 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.396 -7.108 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.896 -5.501 -1.202 1.00 0.00 H new ATOM 327 N GLY A 25 -10.791 -6.788 3.526 1.00 0.00 N ATOM 328 CA GLY A 25 -11.345 -7.600 4.595 1.00 0.00 C ATOM 329 C GLY A 25 -11.461 -9.065 4.169 1.00 0.00 C ATOM 330 O GLY A 25 -12.532 -9.662 4.271 1.00 0.00 O ATOM 0 H GLY A 25 -9.843 -6.450 3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.712 -7.524 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.328 -7.220 4.873 1.00 0.00 H new ATOM 334 N ARG A 26 -10.345 -9.601 3.697 1.00 0.00 N ATOM 335 CA ARG A 26 -10.308 -10.984 3.254 1.00 0.00 C ATOM 336 C ARG A 26 -9.634 -11.863 4.309 1.00 0.00 C ATOM 337 O ARG A 26 -9.223 -11.371 5.359 1.00 0.00 O ATOM 338 CB ARG A 26 -9.553 -11.118 1.930 1.00 0.00 C ATOM 339 CG ARG A 26 -9.202 -9.744 1.358 1.00 0.00 C ATOM 340 CD ARG A 26 -7.915 -9.201 1.984 1.00 0.00 C ATOM 341 NE ARG A 26 -7.396 -10.161 2.984 1.00 0.00 N ATOM 342 CZ ARG A 26 -7.297 -9.899 4.295 1.00 0.00 C ATOM 343 NH1 ARG A 26 -7.681 -8.707 4.772 1.00 0.00 N ATOM 344 NH2 ARG A 26 -6.814 -10.830 5.129 1.00 0.00 N ATOM 0 H ARG A 26 -9.459 -9.102 3.612 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.337 -11.312 3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.641 -11.695 2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.162 -11.669 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.082 -9.816 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.021 -9.049 1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.168 -9.030 1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.109 -8.239 2.458 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.095 -11.079 2.655 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.049 -7.998 4.137 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.605 -8.508 5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.522 -11.737 4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.738 -10.631 6.127 1.00 0.00 H new ATOM 355 N ALA A 27 -9.542 -13.146 3.994 1.00 0.00 N ATOM 356 CA ALA A 27 -8.923 -14.097 4.902 1.00 0.00 C ATOM 357 C ALA A 27 -7.470 -14.324 4.485 1.00 0.00 C ATOM 358 O ALA A 27 -6.694 -14.928 5.225 1.00 0.00 O ATOM 359 CB ALA A 27 -9.736 -15.394 4.913 1.00 0.00 C ATOM 0 H ALA A 27 -9.886 -13.550 3.123 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.916 -13.707 5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.273 -16.108 5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.753 -15.183 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.762 -15.815 3.908 1.00 0.00 H new ATOM 365 N SER A 28 -7.143 -13.827 3.301 1.00 0.00 N ATOM 366 CA SER A 28 -5.795 -13.968 2.776 1.00 0.00 C ATOM 367 C SER A 28 -5.316 -12.634 2.199 1.00 0.00 C ATOM 368 O SER A 28 -6.120 -11.841 1.711 1.00 0.00 O ATOM 369 CB SER A 28 -5.731 -15.062 1.709 1.00 0.00 C ATOM 370 OG SER A 28 -5.974 -16.355 2.254 1.00 0.00 O ATOM 0 H SER A 28 -7.788 -13.326 2.690 1.00 0.00 H new ATOM 0 HA SER A 28 -5.138 -14.259 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.465 -14.853 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.750 -15.048 1.234 1.00 0.00 H new ATOM 0 HG SER A 28 -5.926 -17.025 1.540 1.00 0.00 H new ATOM 375 N VAL A 29 -4.009 -12.429 2.273 1.00 0.00 N ATOM 376 CA VAL A 29 -3.414 -11.205 1.764 1.00 0.00 C ATOM 377 C VAL A 29 -3.290 -11.298 0.241 1.00 0.00 C ATOM 378 O VAL A 29 -2.712 -12.250 -0.280 1.00 0.00 O ATOM 379 CB VAL A 29 -2.075 -10.946 2.458 1.00 0.00 C ATOM 380 CG1 VAL A 29 -1.379 -9.719 1.867 1.00 0.00 C ATOM 381 CG2 VAL A 29 -2.260 -10.798 3.969 1.00 0.00 C ATOM 0 H VAL A 29 -3.346 -13.090 2.678 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.051 -10.349 1.987 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.434 -11.810 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.430 -9.558 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.196 -9.881 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.014 -8.843 1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.293 -10.615 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.927 -9.961 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.692 -11.713 4.374 1.00 0.00 H new ATOM 391 N VAL A 30 -3.844 -10.297 -0.427 1.00 0.00 N ATOM 392 CA VAL A 30 -3.802 -10.253 -1.879 1.00 0.00 C ATOM 393 C VAL A 30 -2.795 -9.192 -2.325 1.00 0.00 C ATOM 394 O VAL A 30 -2.515 -8.248 -1.587 1.00 0.00 O ATOM 395 CB VAL A 30 -5.207 -10.016 -2.436 1.00 0.00 C ATOM 396 CG1 VAL A 30 -5.959 -11.337 -2.610 1.00 0.00 C ATOM 397 CG2 VAL A 30 -5.994 -9.051 -1.546 1.00 0.00 C ATOM 0 H VAL A 30 -4.324 -9.510 0.010 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.465 -11.209 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.104 -9.557 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.955 -11.139 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.413 -11.978 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.046 -11.836 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.989 -8.900 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.082 -9.470 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.472 -8.095 -1.495 1.00 0.00 H new ATOM 407 N PRO A 31 -2.263 -9.387 -3.561 1.00 0.00 N ATOM 408 CA PRO A 31 -1.293 -8.457 -4.114 1.00 0.00 C ATOM 409 C PRO A 31 -1.971 -7.165 -4.572 1.00 0.00 C ATOM 410 O PRO A 31 -3.195 -7.107 -4.684 1.00 0.00 O ATOM 411 CB PRO A 31 -0.627 -9.214 -5.252 1.00 0.00 C ATOM 412 CG PRO A 31 -1.564 -10.362 -5.593 1.00 0.00 C ATOM 413 CD PRO A 31 -2.571 -10.494 -4.462 1.00 0.00 C ATOM 0 HA PRO A 31 -0.554 -8.135 -3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.473 -8.566 -6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.353 -9.585 -4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.074 -10.171 -6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.003 -11.289 -5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.594 -10.430 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.475 -11.455 -3.956 1.00 0.00 H new ATOM 418 N LEU A 32 -1.148 -6.158 -4.824 1.00 0.00 N ATOM 419 CA LEU A 32 -1.652 -4.870 -5.266 1.00 0.00 C ATOM 420 C LEU A 32 -1.275 -4.656 -6.734 1.00 0.00 C ATOM 421 O LEU A 32 -0.141 -4.293 -7.040 1.00 0.00 O ATOM 422 CB LEU A 32 -1.166 -3.756 -4.338 1.00 0.00 C ATOM 423 CG LEU A 32 -1.382 -2.325 -4.836 1.00 0.00 C ATOM 424 CD1 LEU A 32 -2.748 -2.179 -5.506 1.00 0.00 C ATOM 425 CD2 LEU A 32 -1.188 -1.315 -3.703 1.00 0.00 C ATOM 0 H LEU A 32 -0.134 -6.209 -4.730 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.740 -4.848 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.670 -3.865 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.101 -3.900 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.628 -2.109 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.876 -1.153 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.811 -2.858 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.533 -2.422 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.347 -0.306 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.904 -1.520 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.175 -1.399 -3.310 1.00 0.00 H new ATOM 436 N PRO A 33 -2.274 -4.896 -7.625 1.00 0.00 N ATOM 437 CA PRO A 33 -2.059 -4.734 -9.053 1.00 0.00 C ATOM 438 C PRO A 33 -2.025 -3.253 -9.437 1.00 0.00 C ATOM 439 O PRO A 33 -2.969 -2.743 -10.038 1.00 0.00 O ATOM 440 CB PRO A 33 -3.199 -5.493 -9.711 1.00 0.00 C ATOM 441 CG PRO A 33 -4.264 -5.658 -8.640 1.00 0.00 C ATOM 442 CD PRO A 33 -3.630 -5.327 -7.297 1.00 0.00 C ATOM 0 HA PRO A 33 -1.096 -5.126 -9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.589 -4.945 -10.568 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.862 -6.462 -10.079 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.109 -4.998 -8.837 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.650 -6.677 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.182 -4.541 -6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.621 -6.195 -6.638 1.00 0.00 H new ATOM 447 N TYR A 34 -0.927 -2.606 -9.074 1.00 0.00 N ATOM 448 CA TYR A 34 -0.758 -1.194 -9.373 1.00 0.00 C ATOM 449 C TYR A 34 -1.119 -0.896 -10.830 1.00 0.00 C ATOM 450 O TYR A 34 -1.956 -0.036 -11.102 1.00 0.00 O ATOM 451 CB TYR A 34 0.725 -0.891 -9.155 1.00 0.00 C ATOM 452 CG TYR A 34 1.219 -1.183 -7.737 1.00 0.00 C ATOM 453 CD1 TYR A 34 1.028 -0.253 -6.736 1.00 0.00 C ATOM 454 CD2 TYR A 34 1.853 -2.376 -7.459 1.00 0.00 C ATOM 455 CE1 TYR A 34 1.492 -0.527 -5.400 1.00 0.00 C ATOM 456 CE2 TYR A 34 2.317 -2.651 -6.123 1.00 0.00 C ATOM 457 CZ TYR A 34 2.114 -1.712 -5.160 1.00 0.00 C ATOM 458 OH TYR A 34 2.552 -1.972 -3.899 1.00 0.00 O ATOM 0 H TYR A 34 -0.146 -3.033 -8.576 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.405 -0.587 -8.740 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.313 -1.478 -9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.908 0.159 -9.383 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.531 0.681 -6.954 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.002 -3.104 -8.243 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.349 0.192 -4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.815 -3.581 -5.891 1.00 0.00 H new ATOM 0 HH TYR A 34 2.622 -1.133 -3.397 1.00 0.00 H new ATOM 467 N GLU A 35 -0.470 -1.622 -11.728 1.00 0.00 N ATOM 468 CA GLU A 35 -0.712 -1.446 -13.150 1.00 0.00 C ATOM 469 C GLU A 35 -2.204 -1.231 -13.412 1.00 0.00 C ATOM 470 O GLU A 35 -2.579 -0.544 -14.361 1.00 0.00 O ATOM 471 CB GLU A 35 -0.181 -2.638 -13.948 1.00 0.00 C ATOM 472 CG GLU A 35 -0.919 -3.924 -13.569 1.00 0.00 C ATOM 473 CD GLU A 35 -0.337 -5.129 -14.312 1.00 0.00 C ATOM 474 OE1 GLU A 35 -0.066 -4.973 -15.521 1.00 0.00 O ATOM 475 OE2 GLU A 35 -0.176 -6.178 -13.652 1.00 0.00 O ATOM 0 H GLU A 35 0.224 -2.334 -11.498 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.173 -0.559 -13.483 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.299 -2.448 -15.015 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.886 -2.759 -13.762 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.847 -4.086 -12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.978 -3.823 -13.806 1.00 0.00 H new ATOM 480 N ARG A 36 -3.015 -1.831 -12.553 1.00 0.00 N ATOM 481 CA ARG A 36 -4.458 -1.714 -12.680 1.00 0.00 C ATOM 482 C ARG A 36 -4.973 -0.552 -11.828 1.00 0.00 C ATOM 483 O ARG A 36 -5.454 0.447 -12.360 1.00 0.00 O ATOM 484 CB ARG A 36 -5.156 -3.005 -12.246 1.00 0.00 C ATOM 485 CG ARG A 36 -5.228 -4.004 -13.402 1.00 0.00 C ATOM 486 CD ARG A 36 -6.632 -4.039 -14.009 1.00 0.00 C ATOM 487 NE ARG A 36 -6.941 -5.405 -14.489 1.00 0.00 N ATOM 488 CZ ARG A 36 -8.150 -5.795 -14.914 1.00 0.00 C ATOM 489 NH1 ARG A 36 -9.171 -4.926 -14.924 1.00 0.00 N ATOM 490 NH2 ARG A 36 -8.340 -7.055 -15.331 1.00 0.00 N ATOM 0 H ARG A 36 -2.701 -2.399 -11.767 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.685 -1.528 -13.730 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.618 -3.450 -11.409 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.162 -2.778 -11.894 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.503 -3.731 -14.169 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.957 -4.998 -13.046 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.367 -3.731 -13.265 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.698 -3.331 -14.835 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.187 -6.092 -14.497 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.028 -3.967 -14.608 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.091 -5.224 -15.248 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.564 -7.717 -15.325 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.261 -7.352 -15.655 1.00 0.00 H new ATOM 501 N LEU A 37 -4.856 -0.722 -10.519 1.00 0.00 N ATOM 502 CA LEU A 37 -5.304 0.299 -9.588 1.00 0.00 C ATOM 503 C LEU A 37 -4.858 1.673 -10.093 1.00 0.00 C ATOM 504 O LEU A 37 -5.548 2.669 -9.881 1.00 0.00 O ATOM 505 CB LEU A 37 -4.825 -0.020 -8.170 1.00 0.00 C ATOM 506 CG LEU A 37 -5.174 -1.414 -7.643 1.00 0.00 C ATOM 507 CD1 LEU A 37 -5.366 -1.393 -6.125 1.00 0.00 C ATOM 508 CD2 LEU A 37 -6.395 -1.984 -8.366 1.00 0.00 C ATOM 0 H LEU A 37 -4.457 -1.552 -10.081 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.393 0.315 -9.535 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.742 0.098 -8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.247 0.720 -7.490 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.336 -2.078 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.613 -2.395 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.446 -1.059 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.176 -0.710 -5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.621 -2.975 -7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.250 -1.327 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.185 -2.057 -9.433 1.00 0.00 H new ATOM 519 N LEU A 38 -3.709 1.682 -10.750 1.00 0.00 N ATOM 520 CA LEU A 38 -3.162 2.917 -11.286 1.00 0.00 C ATOM 521 C LEU A 38 -4.067 3.424 -12.411 1.00 0.00 C ATOM 522 O LEU A 38 -4.421 4.602 -12.446 1.00 0.00 O ATOM 523 CB LEU A 38 -1.706 2.720 -11.710 1.00 0.00 C ATOM 524 CG LEU A 38 -0.711 2.436 -10.583 1.00 0.00 C ATOM 525 CD1 LEU A 38 0.618 1.924 -11.140 1.00 0.00 C ATOM 526 CD2 LEU A 38 -0.524 3.666 -9.693 1.00 0.00 C ATOM 0 H LEU A 38 -3.140 0.853 -10.924 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.143 3.690 -10.518 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.664 1.895 -12.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.379 3.615 -12.240 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.123 1.645 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.307 1.730 -10.318 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.448 1.002 -11.696 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.048 2.674 -11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.188 3.437 -8.900 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.146 4.494 -10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.481 3.945 -9.252 1.00 0.00 H new ATOM 537 N ARG A 39 -4.416 2.509 -13.304 1.00 0.00 N ATOM 538 CA ARG A 39 -5.273 2.848 -14.427 1.00 0.00 C ATOM 539 C ARG A 39 -6.539 3.552 -13.936 1.00 0.00 C ATOM 540 O ARG A 39 -6.992 4.520 -14.545 1.00 0.00 O ATOM 541 CB ARG A 39 -5.667 1.598 -15.217 1.00 0.00 C ATOM 542 CG ARG A 39 -6.490 1.966 -16.452 1.00 0.00 C ATOM 543 CD ARG A 39 -6.531 0.808 -17.450 1.00 0.00 C ATOM 544 NE ARG A 39 -7.372 1.169 -18.614 1.00 0.00 N ATOM 545 CZ ARG A 39 -7.850 0.286 -19.499 1.00 0.00 C ATOM 546 NH1 ARG A 39 -7.573 -1.019 -19.360 1.00 0.00 N ATOM 547 NH2 ARG A 39 -8.606 0.704 -20.523 1.00 0.00 N ATOM 0 H ARG A 39 -4.121 1.533 -13.272 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.712 3.516 -15.081 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.770 1.058 -15.521 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.242 0.927 -14.579 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.505 2.228 -16.152 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.061 2.847 -16.930 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.521 0.568 -17.782 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.929 -0.085 -16.967 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.602 2.153 -18.750 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.998 -1.338 -18.580 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.937 -1.692 -20.034 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.818 1.696 -20.629 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.970 0.030 -21.197 1.00 0.00 H new ATOM 558 N GLU A 40 -7.075 3.038 -12.838 1.00 0.00 N ATOM 559 CA GLU A 40 -8.280 3.605 -12.258 1.00 0.00 C ATOM 560 C GLU A 40 -8.027 4.017 -10.806 1.00 0.00 C ATOM 561 O GLU A 40 -7.967 3.169 -9.918 1.00 0.00 O ATOM 562 CB GLU A 40 -9.450 2.624 -12.354 1.00 0.00 C ATOM 563 CG GLU A 40 -8.951 1.178 -12.384 1.00 0.00 C ATOM 564 CD GLU A 40 -10.104 0.205 -12.634 1.00 0.00 C ATOM 565 OE1 GLU A 40 -11.244 0.572 -12.275 1.00 0.00 O ATOM 566 OE2 GLU A 40 -9.821 -0.885 -13.178 1.00 0.00 O ATOM 0 H GLU A 40 -6.697 2.235 -12.335 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.549 4.495 -12.826 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.118 2.765 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.030 2.831 -13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.199 1.065 -13.165 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.466 0.937 -11.438 1.00 0.00 H new ATOM 571 N PRO A 41 -7.881 5.354 -10.604 1.00 0.00 N ATOM 572 CA PRO A 41 -7.636 5.889 -9.275 1.00 0.00 C ATOM 573 C PRO A 41 -8.911 5.866 -8.431 1.00 0.00 C ATOM 574 O PRO A 41 -8.849 5.755 -7.208 1.00 0.00 O ATOM 575 CB PRO A 41 -7.102 7.293 -9.508 1.00 0.00 C ATOM 576 CG PRO A 41 -7.504 7.662 -10.927 1.00 0.00 C ATOM 577 CD PRO A 41 -7.944 6.389 -11.632 1.00 0.00 C ATOM 0 HA PRO A 41 -6.920 5.294 -8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.522 7.995 -8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.019 7.324 -9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.313 8.392 -10.917 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.667 8.121 -11.454 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.953 6.487 -12.033 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.289 6.154 -12.471 1.00 0.00 H new ATOM 582 N GLY A 42 -10.039 5.974 -9.118 1.00 0.00 N ATOM 583 CA GLY A 42 -11.328 5.968 -8.447 1.00 0.00 C ATOM 584 C GLY A 42 -11.616 4.599 -7.827 1.00 0.00 C ATOM 585 O GLY A 42 -12.295 4.506 -6.806 1.00 0.00 O ATOM 0 H GLY A 42 -10.087 6.066 -10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.342 6.733 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.114 6.222 -9.159 1.00 0.00 H new ATOM 589 N LEU A 43 -11.086 3.569 -8.471 1.00 0.00 N ATOM 590 CA LEU A 43 -11.277 2.210 -7.995 1.00 0.00 C ATOM 591 C LEU A 43 -10.675 2.074 -6.595 1.00 0.00 C ATOM 592 O LEU A 43 -11.270 1.451 -5.718 1.00 0.00 O ATOM 593 CB LEU A 43 -10.719 1.205 -9.006 1.00 0.00 C ATOM 594 CG LEU A 43 -11.130 -0.253 -8.797 1.00 0.00 C ATOM 595 CD1 LEU A 43 -12.538 -0.509 -9.336 1.00 0.00 C ATOM 596 CD2 LEU A 43 -10.101 -1.206 -9.410 1.00 0.00 C ATOM 0 H LEU A 43 -10.524 3.649 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.339 1.983 -7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.033 1.511 -10.004 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.631 1.262 -8.983 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.154 -0.450 -7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.805 -1.553 -9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.249 0.132 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.565 -0.288 -10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.417 -2.236 -9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.021 -1.016 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.131 -1.046 -8.939 1.00 0.00 H new ATOM 607 N LEU A 44 -9.500 2.666 -6.432 1.00 0.00 N ATOM 608 CA LEU A 44 -8.811 2.619 -5.153 1.00 0.00 C ATOM 609 C LEU A 44 -7.852 3.807 -5.052 1.00 0.00 C ATOM 610 O LEU A 44 -6.858 3.869 -5.775 1.00 0.00 O ATOM 611 CB LEU A 44 -8.131 1.261 -4.961 1.00 0.00 C ATOM 612 CG LEU A 44 -7.085 1.187 -3.848 1.00 0.00 C ATOM 613 CD1 LEU A 44 -7.594 1.858 -2.570 1.00 0.00 C ATOM 614 CD2 LEU A 44 -6.648 -0.258 -3.601 1.00 0.00 C ATOM 0 H LEU A 44 -9.009 3.180 -7.163 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.522 2.712 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.901 0.517 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.654 0.980 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.203 1.739 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.831 1.791 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.815 2.906 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.500 1.355 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.904 -0.282 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.512 -0.854 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.216 -0.669 -4.514 1.00 0.00 H new ATOM 625 N ALA A 45 -8.184 4.718 -4.150 1.00 0.00 N ATOM 626 CA ALA A 45 -7.363 5.901 -3.945 1.00 0.00 C ATOM 627 C ALA A 45 -6.506 5.710 -2.693 1.00 0.00 C ATOM 628 O ALA A 45 -7.021 5.360 -1.631 1.00 0.00 O ATOM 629 CB ALA A 45 -8.262 7.136 -3.855 1.00 0.00 C ATOM 0 H ALA A 45 -9.009 4.662 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.687 6.051 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.647 8.023 -3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.828 7.242 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.952 7.024 -3.019 1.00 0.00 H new ATOM 635 N VAL A 46 -5.213 5.950 -2.857 1.00 0.00 N ATOM 636 CA VAL A 46 -4.280 5.810 -1.753 1.00 0.00 C ATOM 637 C VAL A 46 -4.149 7.151 -1.028 1.00 0.00 C ATOM 638 O VAL A 46 -3.806 8.161 -1.640 1.00 0.00 O ATOM 639 CB VAL A 46 -2.941 5.274 -2.263 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.015 4.913 -1.100 1.00 0.00 C ATOM 641 CG2 VAL A 46 -3.149 4.075 -3.192 1.00 0.00 C ATOM 0 H VAL A 46 -4.790 6.241 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.651 5.084 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.461 6.065 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.070 4.535 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.828 5.800 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.486 4.147 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.182 3.713 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.661 3.279 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.753 4.378 -4.047 1.00 0.00 H new ATOM 651 N GLN A 47 -4.430 7.116 0.268 1.00 0.00 N ATOM 652 CA GLN A 47 -4.348 8.317 1.083 1.00 0.00 C ATOM 653 C GLN A 47 -3.360 8.110 2.232 1.00 0.00 C ATOM 654 O GLN A 47 -2.953 6.984 2.512 1.00 0.00 O ATOM 655 CB GLN A 47 -5.727 8.716 1.610 1.00 0.00 C ATOM 656 CG GLN A 47 -6.674 9.064 0.459 1.00 0.00 C ATOM 657 CD GLN A 47 -6.274 10.385 -0.201 1.00 0.00 C ATOM 658 OE1 GLN A 47 -5.495 10.430 -1.139 1.00 0.00 O ATOM 659 NE2 GLN A 47 -6.848 11.456 0.340 1.00 0.00 N ATOM 0 H GLN A 47 -4.714 6.276 0.772 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.984 9.133 0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.147 7.899 2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.631 9.572 2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.660 8.265 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.695 9.135 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.491 11.348 1.124 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.645 12.385 -0.029 1.00 0.00 H new ATOM 666 N GLY A 48 -3.002 9.217 2.869 1.00 0.00 N ATOM 667 CA GLY A 48 -2.070 9.172 3.982 1.00 0.00 C ATOM 668 C GLY A 48 -0.677 8.742 3.515 1.00 0.00 C ATOM 669 O GLY A 48 0.073 8.129 4.271 1.00 0.00 O ATOM 0 H GLY A 48 -3.341 10.150 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.013 10.153 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.435 8.477 4.738 1.00 0.00 H new ATOM 673 N LEU A 49 -0.376 9.083 2.270 1.00 0.00 N ATOM 674 CA LEU A 49 0.913 8.741 1.692 1.00 0.00 C ATOM 675 C LEU A 49 1.984 9.675 2.257 1.00 0.00 C ATOM 676 O LEU A 49 1.665 10.699 2.858 1.00 0.00 O ATOM 677 CB LEU A 49 0.834 8.749 0.164 1.00 0.00 C ATOM 678 CG LEU A 49 0.456 7.420 -0.495 1.00 0.00 C ATOM 679 CD1 LEU A 49 -0.127 7.646 -1.891 1.00 0.00 C ATOM 680 CD2 LEU A 49 1.648 6.462 -0.521 1.00 0.00 C ATOM 0 H LEU A 49 -1.002 9.592 1.646 1.00 0.00 H new ATOM 0 HA LEU A 49 1.197 7.726 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.106 9.502 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.801 9.064 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.322 6.950 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.387 6.686 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.021 8.265 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.611 8.148 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.352 5.526 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.464 6.912 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.978 6.264 0.499 1.00 0.00 H new ATOM 691 N PRO A 50 3.266 9.278 2.039 1.00 0.00 N ATOM 692 CA PRO A 50 4.387 10.068 2.520 1.00 0.00 C ATOM 693 C PRO A 50 4.590 11.315 1.655 1.00 0.00 C ATOM 694 O PRO A 50 5.138 11.230 0.558 1.00 0.00 O ATOM 695 CB PRO A 50 5.577 9.123 2.488 1.00 0.00 C ATOM 696 CG PRO A 50 5.182 7.986 1.559 1.00 0.00 C ATOM 697 CD PRO A 50 3.682 8.070 1.332 1.00 0.00 C ATOM 0 HA PRO A 50 4.229 10.453 3.527 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.470 9.632 2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.806 8.750 3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.716 8.063 0.612 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.449 7.024 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.445 8.132 0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.173 7.188 1.721 1.00 0.00 H new ATOM 702 N GLU A 51 4.137 12.442 2.183 1.00 0.00 N ATOM 703 CA GLU A 51 4.261 13.704 1.474 1.00 0.00 C ATOM 704 C GLU A 51 5.532 13.710 0.622 1.00 0.00 C ATOM 705 O GLU A 51 6.543 13.124 1.005 1.00 0.00 O ATOM 706 CB GLU A 51 4.248 14.884 2.448 1.00 0.00 C ATOM 707 CG GLU A 51 5.500 14.884 3.326 1.00 0.00 C ATOM 708 CD GLU A 51 5.306 15.771 4.557 1.00 0.00 C ATOM 709 OE1 GLU A 51 4.758 16.880 4.376 1.00 0.00 O ATOM 710 OE2 GLU A 51 5.711 15.321 5.651 1.00 0.00 O ATOM 0 H GLU A 51 3.683 12.508 3.094 1.00 0.00 H new ATOM 0 HA GLU A 51 3.402 13.813 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.190 15.819 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.359 14.832 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.729 13.865 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.354 15.239 2.748 1.00 0.00 H new ATOM 715 N GLY A 52 5.440 14.381 -0.517 1.00 0.00 N ATOM 716 CA GLY A 52 6.569 14.471 -1.427 1.00 0.00 C ATOM 717 C GLY A 52 6.817 13.134 -2.127 1.00 0.00 C ATOM 718 O GLY A 52 7.957 12.679 -2.218 1.00 0.00 O ATOM 0 H GLY A 52 4.600 14.868 -0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.380 15.245 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.462 14.768 -0.876 1.00 0.00 H new ATOM 722 N LEU A 53 5.732 12.541 -2.604 1.00 0.00 N ATOM 723 CA LEU A 53 5.819 11.265 -3.294 1.00 0.00 C ATOM 724 C LEU A 53 4.601 11.098 -4.203 1.00 0.00 C ATOM 725 O LEU A 53 3.847 12.047 -4.417 1.00 0.00 O ATOM 726 CB LEU A 53 5.998 10.125 -2.289 1.00 0.00 C ATOM 727 CG LEU A 53 7.438 9.680 -2.029 1.00 0.00 C ATOM 728 CD1 LEU A 53 7.509 8.725 -0.836 1.00 0.00 C ATOM 729 CD2 LEU A 53 8.061 9.072 -3.287 1.00 0.00 C ATOM 0 H LEU A 53 4.788 12.921 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 53 6.701 11.237 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.556 10.431 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.431 9.264 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 53 8.026 10.561 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.544 8.424 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.132 9.227 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.902 7.843 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.085 8.764 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.479 8.205 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.064 9.813 -4.086 1.00 0.00 H new ATOM 740 N ALA A 54 4.445 9.885 -4.714 1.00 0.00 N ATOM 741 CA ALA A 54 3.331 9.582 -5.595 1.00 0.00 C ATOM 742 C ALA A 54 3.039 8.081 -5.545 1.00 0.00 C ATOM 743 O ALA A 54 3.961 7.267 -5.519 1.00 0.00 O ATOM 744 CB ALA A 54 3.652 10.066 -7.011 1.00 0.00 C ATOM 0 H ALA A 54 5.072 9.101 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 54 2.432 10.104 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.816 9.838 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.821 11.143 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.548 9.562 -7.373 1.00 0.00 H new ATOM 750 N PHE A 55 1.754 7.760 -5.534 1.00 0.00 N ATOM 751 CA PHE A 55 1.330 6.372 -5.486 1.00 0.00 C ATOM 752 C PHE A 55 1.871 5.592 -6.687 1.00 0.00 C ATOM 753 O PHE A 55 1.464 5.833 -7.823 1.00 0.00 O ATOM 754 CB PHE A 55 -0.199 6.368 -5.539 1.00 0.00 C ATOM 755 CG PHE A 55 -0.810 4.990 -5.798 1.00 0.00 C ATOM 756 CD1 PHE A 55 -0.404 3.918 -5.066 1.00 0.00 C ATOM 757 CD2 PHE A 55 -1.759 4.836 -6.760 1.00 0.00 C ATOM 758 CE1 PHE A 55 -0.971 2.638 -5.306 1.00 0.00 C ATOM 759 CE2 PHE A 55 -2.326 3.556 -7.000 1.00 0.00 C ATOM 760 CZ PHE A 55 -1.920 2.484 -6.268 1.00 0.00 C ATOM 0 H PHE A 55 0.992 8.438 -5.558 1.00 0.00 H new ATOM 0 HA PHE A 55 1.707 5.900 -4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.586 6.754 -4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.527 7.052 -6.322 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.350 4.040 -4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.081 5.687 -7.341 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.649 1.787 -4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.080 3.434 -7.764 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.351 1.511 -6.451 1.00 0.00 H new ATOM 769 N ARG A 56 2.781 4.673 -6.394 1.00 0.00 N ATOM 770 CA ARG A 56 3.383 3.858 -7.436 1.00 0.00 C ATOM 771 C ARG A 56 4.079 2.642 -6.821 1.00 0.00 C ATOM 772 O ARG A 56 4.324 2.606 -5.616 1.00 0.00 O ATOM 773 CB ARG A 56 4.397 4.662 -8.249 1.00 0.00 C ATOM 774 CG ARG A 56 5.062 5.738 -7.387 1.00 0.00 C ATOM 775 CD ARG A 56 6.547 5.873 -7.727 1.00 0.00 C ATOM 776 NE ARG A 56 6.706 6.447 -9.082 1.00 0.00 N ATOM 777 CZ ARG A 56 7.850 6.964 -9.550 1.00 0.00 C ATOM 778 NH1 ARG A 56 8.943 6.982 -8.775 1.00 0.00 N ATOM 779 NH2 ARG A 56 7.902 7.463 -10.792 1.00 0.00 N ATOM 0 H ARG A 56 3.115 4.475 -5.451 1.00 0.00 H new ATOM 0 HA ARG A 56 2.585 3.527 -8.101 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.157 3.993 -8.653 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.899 5.128 -9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.562 6.694 -7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.948 5.486 -6.333 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.040 6.510 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.030 4.897 -7.678 1.00 0.00 H new ATOM 0 HE ARG A 56 5.893 6.449 -9.698 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.904 6.602 -7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.814 7.375 -9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.070 7.450 -11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.773 7.856 -11.147 1.00 0.00 H new ATOM 790 N ARG A 57 4.381 1.678 -7.677 1.00 0.00 N ATOM 791 CA ARG A 57 5.045 0.464 -7.233 1.00 0.00 C ATOM 792 C ARG A 57 6.131 0.798 -6.207 1.00 0.00 C ATOM 793 O ARG A 57 6.741 1.864 -6.268 1.00 0.00 O ATOM 794 CB ARG A 57 5.679 -0.279 -8.411 1.00 0.00 C ATOM 795 CG ARG A 57 4.942 -1.589 -8.694 1.00 0.00 C ATOM 796 CD ARG A 57 5.287 -2.124 -10.085 1.00 0.00 C ATOM 797 NE ARG A 57 5.724 -3.535 -9.992 1.00 0.00 N ATOM 798 CZ ARG A 57 6.139 -4.264 -11.037 1.00 0.00 C ATOM 799 NH1 ARG A 57 6.173 -3.720 -12.261 1.00 0.00 N ATOM 800 NH2 ARG A 57 6.517 -5.537 -10.857 1.00 0.00 N ATOM 0 H ARG A 57 4.178 1.712 -8.676 1.00 0.00 H new ATOM 0 HA ARG A 57 4.292 -0.178 -6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.657 0.353 -9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.727 -0.487 -8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.207 -2.330 -7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.866 -1.429 -8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.418 -2.046 -10.739 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.077 -1.519 -10.531 1.00 0.00 H new ATOM 0 HE ARG A 57 5.708 -3.981 -9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.883 -2.752 -12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.489 -4.274 -13.057 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.489 -5.950 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.833 -6.092 -11.652 1.00 0.00 H new ATOM 811 N PRO A 58 6.342 -0.159 -5.264 1.00 0.00 N ATOM 812 CA PRO A 58 7.342 0.024 -4.226 1.00 0.00 C ATOM 813 C PRO A 58 8.755 -0.166 -4.785 1.00 0.00 C ATOM 814 O PRO A 58 9.728 0.294 -4.191 1.00 0.00 O ATOM 815 CB PRO A 58 6.986 -0.993 -3.154 1.00 0.00 C ATOM 816 CG PRO A 58 6.089 -2.017 -3.831 1.00 0.00 C ATOM 817 CD PRO A 58 5.638 -1.433 -5.160 1.00 0.00 C ATOM 0 HA PRO A 58 7.342 1.034 -3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.882 -1.465 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.473 -0.516 -2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.627 -2.952 -3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.228 -2.246 -3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.891 -2.094 -5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.558 -1.291 -5.184 1.00 0.00 H new ATOM 822 N ALA A 59 8.819 -0.846 -5.920 1.00 0.00 N ATOM 823 CA ALA A 59 10.096 -1.102 -6.566 1.00 0.00 C ATOM 824 C ALA A 59 10.443 0.072 -7.484 1.00 0.00 C ATOM 825 O ALA A 59 11.567 0.170 -7.972 1.00 0.00 O ATOM 826 CB ALA A 59 10.029 -2.432 -7.319 1.00 0.00 C ATOM 0 H ALA A 59 8.009 -1.227 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 59 10.891 -1.187 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.986 -2.624 -7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.809 -3.237 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.244 -2.384 -8.073 1.00 0.00 H new ATOM 832 N GLU A 60 9.456 0.931 -7.691 1.00 0.00 N ATOM 833 CA GLU A 60 9.643 2.094 -8.542 1.00 0.00 C ATOM 834 C GLU A 60 9.925 3.334 -7.692 1.00 0.00 C ATOM 835 O GLU A 60 10.318 4.375 -8.216 1.00 0.00 O ATOM 836 CB GLU A 60 8.428 2.314 -9.445 1.00 0.00 C ATOM 837 CG GLU A 60 8.291 1.181 -10.464 1.00 0.00 C ATOM 838 CD GLU A 60 8.266 1.728 -11.893 1.00 0.00 C ATOM 839 OE1 GLU A 60 9.361 2.066 -12.390 1.00 0.00 O ATOM 840 OE2 GLU A 60 7.151 1.797 -12.455 1.00 0.00 O ATOM 0 H GLU A 60 8.525 0.845 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 60 10.505 1.914 -9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.525 2.373 -8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.525 3.267 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.122 0.484 -10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.377 0.621 -10.269 1.00 0.00 H new ATOM 845 N TYR A 61 9.714 3.182 -6.392 1.00 0.00 N ATOM 846 CA TYR A 61 9.941 4.277 -5.465 1.00 0.00 C ATOM 847 C TYR A 61 11.435 4.477 -5.207 1.00 0.00 C ATOM 848 O TYR A 61 12.258 3.678 -5.652 1.00 0.00 O ATOM 849 CB TYR A 61 9.261 3.869 -4.156 1.00 0.00 C ATOM 850 CG TYR A 61 7.879 4.494 -3.951 1.00 0.00 C ATOM 851 CD1 TYR A 61 7.648 5.797 -4.338 1.00 0.00 C ATOM 852 CD2 TYR A 61 6.865 3.753 -3.378 1.00 0.00 C ATOM 853 CE1 TYR A 61 6.349 6.386 -4.145 1.00 0.00 C ATOM 854 CE2 TYR A 61 5.565 4.342 -3.185 1.00 0.00 C ATOM 855 CZ TYR A 61 5.371 5.629 -3.578 1.00 0.00 C ATOM 856 OH TYR A 61 4.143 6.186 -3.395 1.00 0.00 O ATOM 0 H TYR A 61 9.388 2.317 -5.960 1.00 0.00 H new ATOM 0 HA TYR A 61 9.547 5.209 -5.869 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.165 2.784 -4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.903 4.151 -3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.442 6.376 -4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.046 2.732 -3.075 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.155 7.406 -4.443 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.762 3.774 -2.738 1.00 0.00 H new ATOM 0 HH TYR A 61 3.687 6.263 -4.259 1.00 0.00 H new ATOM 865 N ASP A 62 11.743 5.548 -4.490 1.00 0.00 N ATOM 866 CA ASP A 62 13.123 5.863 -4.169 1.00 0.00 C ATOM 867 C ASP A 62 13.525 5.127 -2.889 1.00 0.00 C ATOM 868 O ASP A 62 12.726 4.389 -2.317 1.00 0.00 O ATOM 869 CB ASP A 62 13.304 7.363 -3.927 1.00 0.00 C ATOM 870 CG ASP A 62 12.121 8.234 -4.354 1.00 0.00 C ATOM 871 OD1 ASP A 62 11.974 8.431 -5.579 1.00 0.00 O ATOM 872 OD2 ASP A 62 11.390 8.683 -3.444 1.00 0.00 O ATOM 0 H ASP A 62 11.059 6.209 -4.122 1.00 0.00 H new ATOM 0 HA ASP A 62 13.743 5.556 -5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.490 7.525 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.193 7.697 -4.461 1.00 0.00 H new ATOM 876 N PRO A 63 14.798 5.360 -2.468 1.00 0.00 N ATOM 877 CA PRO A 63 15.316 4.727 -1.267 1.00 0.00 C ATOM 878 C PRO A 63 14.741 5.383 -0.009 1.00 0.00 C ATOM 879 O PRO A 63 14.166 4.707 0.841 1.00 0.00 O ATOM 880 CB PRO A 63 16.825 4.861 -1.371 1.00 0.00 C ATOM 881 CG PRO A 63 17.076 5.965 -2.385 1.00 0.00 C ATOM 882 CD PRO A 63 15.773 6.228 -3.120 1.00 0.00 C ATOM 0 HA PRO A 63 15.028 3.679 -1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.262 5.111 -0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.279 3.924 -1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.422 6.870 -1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.857 5.669 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.482 7.276 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.863 5.995 -4.181 1.00 0.00 H new ATOM 887 N LYS A 64 14.919 6.694 0.068 1.00 0.00 N ATOM 888 CA LYS A 64 14.426 7.450 1.206 1.00 0.00 C ATOM 889 C LYS A 64 12.898 7.393 1.229 1.00 0.00 C ATOM 890 O LYS A 64 12.281 7.564 2.279 1.00 0.00 O ATOM 891 CB LYS A 64 14.989 8.873 1.188 1.00 0.00 C ATOM 892 CG LYS A 64 16.403 8.912 1.769 1.00 0.00 C ATOM 893 CD LYS A 64 17.453 8.921 0.657 1.00 0.00 C ATOM 894 CE LYS A 64 18.671 8.080 1.045 1.00 0.00 C ATOM 895 NZ LYS A 64 19.857 8.498 0.267 1.00 0.00 N ATOM 0 H LYS A 64 15.398 7.251 -0.639 1.00 0.00 H new ATOM 0 HA LYS A 64 14.775 7.006 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.002 9.249 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.338 9.532 1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.520 9.799 2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.559 8.047 2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.017 8.532 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.764 9.946 0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.871 8.189 2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.464 7.025 0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.675 7.918 0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.669 8.372 -0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.063 9.499 0.459 1.00 0.00 H new ATOM 905 N ALA A 65 12.329 7.149 0.057 1.00 0.00 N ATOM 906 CA ALA A 65 10.885 7.066 -0.072 1.00 0.00 C ATOM 907 C ALA A 65 10.371 5.881 0.747 1.00 0.00 C ATOM 908 O ALA A 65 9.590 6.058 1.681 1.00 0.00 O ATOM 909 CB ALA A 65 10.509 6.960 -1.551 1.00 0.00 C ATOM 0 H ALA A 65 12.843 7.006 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 65 10.413 7.967 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.425 6.898 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.871 7.840 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.963 6.066 -1.979 1.00 0.00 H new ATOM 915 N LEU A 66 10.831 4.697 0.368 1.00 0.00 N ATOM 916 CA LEU A 66 10.428 3.482 1.055 1.00 0.00 C ATOM 917 C LEU A 66 10.501 3.709 2.567 1.00 0.00 C ATOM 918 O LEU A 66 9.571 3.366 3.295 1.00 0.00 O ATOM 919 CB LEU A 66 11.258 2.291 0.570 1.00 0.00 C ATOM 920 CG LEU A 66 11.159 1.969 -0.922 1.00 0.00 C ATOM 921 CD1 LEU A 66 12.175 0.896 -1.320 1.00 0.00 C ATOM 922 CD2 LEU A 66 9.731 1.576 -1.305 1.00 0.00 C ATOM 0 H LEU A 66 11.479 4.554 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 66 9.393 3.236 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.304 2.479 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.954 1.408 1.133 1.00 0.00 H new ATOM 0 HG LEU A 66 11.406 2.870 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.083 0.686 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.183 1.252 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.983 -0.015 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.689 1.352 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.431 0.695 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.054 2.400 -1.080 1.00 0.00 H new ATOM 933 N MET A 67 11.616 4.283 2.993 1.00 0.00 N ATOM 934 CA MET A 67 11.824 4.558 4.404 1.00 0.00 C ATOM 935 C MET A 67 10.803 5.576 4.920 1.00 0.00 C ATOM 936 O MET A 67 10.437 5.554 6.094 1.00 0.00 O ATOM 937 CB MET A 67 13.238 5.101 4.617 1.00 0.00 C ATOM 938 CG MET A 67 14.237 3.960 4.822 1.00 0.00 C ATOM 939 SD MET A 67 15.906 4.595 4.787 1.00 0.00 S ATOM 940 CE MET A 67 16.207 4.571 3.027 1.00 0.00 C ATOM 0 H MET A 67 12.385 4.565 2.386 1.00 0.00 H new ATOM 0 HA MET A 67 11.696 3.628 4.958 1.00 0.00 H new ATOM 0 HB2 MET A 67 13.535 5.700 3.756 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.251 5.761 5.484 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.047 3.466 5.775 1.00 0.00 H new ATOM 0 HG3 MET A 67 14.109 3.209 4.043 1.00 0.00 H new ATOM 0 HE1 MET A 67 17.011 3.869 2.805 1.00 0.00 H new ATOM 0 HE2 MET A 67 15.301 4.261 2.507 1.00 0.00 H new ATOM 0 HE3 MET A 67 16.493 5.568 2.693 1.00 0.00 H new ATOM 948 N ALA A 68 10.375 6.446 4.016 1.00 0.00 N ATOM 949 CA ALA A 68 9.405 7.469 4.364 1.00 0.00 C ATOM 950 C ALA A 68 7.999 6.868 4.328 1.00 0.00 C ATOM 951 O ALA A 68 7.063 7.432 4.894 1.00 0.00 O ATOM 952 CB ALA A 68 9.555 8.660 3.415 1.00 0.00 C ATOM 0 H ALA A 68 10.683 6.463 3.044 1.00 0.00 H new ATOM 0 HA ALA A 68 9.581 7.835 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.827 9.428 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.561 9.070 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.384 8.332 2.390 1.00 0.00 H new ATOM 958 N ILE A 69 7.894 5.731 3.657 1.00 0.00 N ATOM 959 CA ILE A 69 6.617 5.046 3.540 1.00 0.00 C ATOM 960 C ILE A 69 6.394 4.176 4.777 1.00 0.00 C ATOM 961 O ILE A 69 5.297 4.149 5.332 1.00 0.00 O ATOM 962 CB ILE A 69 6.545 4.272 2.222 1.00 0.00 C ATOM 963 CG1 ILE A 69 6.664 5.216 1.023 1.00 0.00 C ATOM 964 CG2 ILE A 69 5.276 3.420 2.156 1.00 0.00 C ATOM 965 CD1 ILE A 69 7.403 4.542 -0.134 1.00 0.00 C ATOM 0 H ILE A 69 8.672 5.266 3.189 1.00 0.00 H new ATOM 0 HA ILE A 69 5.799 5.766 3.506 1.00 0.00 H new ATOM 0 HB ILE A 69 7.394 3.590 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.670 5.521 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.194 6.121 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.249 2.880 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.273 2.707 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.400 4.065 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.474 5.234 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.405 4.260 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.858 3.651 -0.444 1.00 0.00 H new ATOM 976 N LEU A 70 7.453 3.484 5.175 1.00 0.00 N ATOM 977 CA LEU A 70 7.387 2.616 6.337 1.00 0.00 C ATOM 978 C LEU A 70 7.193 3.466 7.594 1.00 0.00 C ATOM 979 O LEU A 70 6.715 2.972 8.615 1.00 0.00 O ATOM 980 CB LEU A 70 8.613 1.704 6.395 1.00 0.00 C ATOM 981 CG LEU A 70 8.941 0.937 5.112 1.00 0.00 C ATOM 982 CD1 LEU A 70 10.444 0.678 4.996 1.00 0.00 C ATOM 983 CD2 LEU A 70 8.127 -0.355 5.022 1.00 0.00 C ATOM 0 H LEU A 70 8.362 3.508 4.712 1.00 0.00 H new ATOM 0 HA LEU A 70 6.527 1.951 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.479 2.309 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.466 0.982 7.199 1.00 0.00 H new ATOM 0 HG LEU A 70 8.656 1.557 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.649 0.132 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.977 1.629 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.779 0.089 5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.379 -0.881 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.357 -0.990 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.064 -0.116 5.024 1.00 0.00 H new ATOM 994 N GLU A 71 7.574 4.729 7.480 1.00 0.00 N ATOM 995 CA GLU A 71 7.449 5.654 8.594 1.00 0.00 C ATOM 996 C GLU A 71 6.100 6.374 8.537 1.00 0.00 C ATOM 997 O GLU A 71 5.431 6.528 9.557 1.00 0.00 O ATOM 998 CB GLU A 71 8.605 6.655 8.609 1.00 0.00 C ATOM 999 CG GLU A 71 9.891 6.001 9.115 1.00 0.00 C ATOM 1000 CD GLU A 71 10.929 7.056 9.501 1.00 0.00 C ATOM 1001 OE1 GLU A 71 10.825 7.565 10.638 1.00 0.00 O ATOM 1002 OE2 GLU A 71 11.803 7.331 8.650 1.00 0.00 O ATOM 0 H GLU A 71 7.970 5.135 6.632 1.00 0.00 H new ATOM 0 HA GLU A 71 7.495 5.083 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.764 7.048 7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.349 7.502 9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.668 5.373 9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.300 5.349 8.343 1.00 0.00 H new ATOM 1007 N HIS A 72 5.741 6.796 7.334 1.00 0.00 N ATOM 1008 CA HIS A 72 4.484 7.496 7.130 1.00 0.00 C ATOM 1009 C HIS A 72 3.340 6.484 7.048 1.00 0.00 C ATOM 1010 O HIS A 72 2.170 6.860 7.084 1.00 0.00 O ATOM 1011 CB HIS A 72 4.562 8.406 5.902 1.00 0.00 C ATOM 1012 CG HIS A 72 5.601 9.495 6.010 1.00 0.00 C ATOM 1013 ND1 HIS A 72 5.358 10.804 5.629 1.00 0.00 N ATOM 1014 CD2 HIS A 72 6.889 9.458 6.460 1.00 0.00 C ATOM 1015 CE1 HIS A 72 6.457 11.513 5.842 1.00 0.00 C ATOM 1016 NE2 HIS A 72 7.404 10.677 6.357 1.00 0.00 N ATOM 0 H HIS A 72 6.299 6.667 6.490 1.00 0.00 H new ATOM 0 HA HIS A 72 4.284 8.148 7.980 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.779 7.797 5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.586 8.864 5.739 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.402 8.585 6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.581 12.567 5.643 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.352 10.945 6.620 1.00 0.00 H new ATOM 1023 N SER A 73 3.718 5.219 6.937 1.00 0.00 N ATOM 1024 CA SER A 73 2.740 4.150 6.848 1.00 0.00 C ATOM 1025 C SER A 73 1.619 4.382 7.863 1.00 0.00 C ATOM 1026 O SER A 73 0.440 4.293 7.523 1.00 0.00 O ATOM 1027 CB SER A 73 3.392 2.785 7.078 1.00 0.00 C ATOM 1028 OG SER A 73 3.171 2.305 8.402 1.00 0.00 O ATOM 0 H SER A 73 4.690 4.911 6.907 1.00 0.00 H new ATOM 0 HA SER A 73 2.318 4.155 5.843 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.994 2.067 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.464 2.859 6.893 1.00 0.00 H new ATOM 0 HG SER A 73 3.601 1.431 8.509 1.00 0.00 H new ATOM 1033 N HIS A 74 2.026 4.673 9.090 1.00 0.00 N ATOM 1034 CA HIS A 74 1.071 4.917 10.158 1.00 0.00 C ATOM 1035 C HIS A 74 -0.076 5.783 9.632 1.00 0.00 C ATOM 1036 O HIS A 74 -1.196 5.704 10.133 1.00 0.00 O ATOM 1037 CB HIS A 74 1.765 5.529 11.377 1.00 0.00 C ATOM 1038 CG HIS A 74 1.451 6.989 11.593 1.00 0.00 C ATOM 1039 ND1 HIS A 74 0.217 7.435 12.034 1.00 0.00 N ATOM 1040 CD2 HIS A 74 2.223 8.102 11.426 1.00 0.00 C ATOM 1041 CE1 HIS A 74 0.255 8.755 12.124 1.00 0.00 C ATOM 1042 NE2 HIS A 74 1.499 9.167 11.746 1.00 0.00 N ATOM 0 H HIS A 74 3.005 4.745 9.368 1.00 0.00 H new ATOM 0 HA HIS A 74 0.643 3.972 10.492 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.474 4.970 12.266 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.843 5.412 11.265 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.586 6.846 12.253 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.249 8.114 11.090 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.556 9.393 12.441 1.00 0.00 H new ATOM 1049 N ARG A 75 0.244 6.588 8.630 1.00 0.00 N ATOM 1050 CA ARG A 75 -0.746 7.467 8.030 1.00 0.00 C ATOM 1051 C ARG A 75 -1.352 6.813 6.787 1.00 0.00 C ATOM 1052 O ARG A 75 -2.556 6.908 6.556 1.00 0.00 O ATOM 1053 CB ARG A 75 -0.126 8.810 7.642 1.00 0.00 C ATOM 1054 CG ARG A 75 0.919 9.250 8.669 1.00 0.00 C ATOM 1055 CD ARG A 75 0.983 10.775 8.768 1.00 0.00 C ATOM 1056 NE ARG A 75 0.941 11.192 10.188 1.00 0.00 N ATOM 1057 CZ ARG A 75 0.659 12.436 10.597 1.00 0.00 C ATOM 1058 NH1 ARG A 75 0.395 13.394 9.698 1.00 0.00 N ATOM 1059 NH2 ARG A 75 0.644 12.724 11.906 1.00 0.00 N ATOM 0 H ARG A 75 1.175 6.650 8.218 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.527 7.641 8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.337 8.730 6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.907 9.566 7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.675 8.829 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.897 8.859 8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.897 11.140 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.148 11.218 8.225 1.00 0.00 H new ATOM 0 HE ARG A 75 1.139 10.488 10.899 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.409 13.176 8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.180 14.341 10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.847 11.996 12.591 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.429 13.671 12.217 1.00 0.00 H new ATOM 1070 N ILE A 76 -0.490 6.164 6.018 1.00 0.00 N ATOM 1071 CA ILE A 76 -0.925 5.496 4.804 1.00 0.00 C ATOM 1072 C ILE A 76 -2.262 4.797 5.063 1.00 0.00 C ATOM 1073 O ILE A 76 -2.364 3.957 5.956 1.00 0.00 O ATOM 1074 CB ILE A 76 0.169 4.559 4.286 1.00 0.00 C ATOM 1075 CG1 ILE A 76 1.438 5.339 3.936 1.00 0.00 C ATOM 1076 CG2 ILE A 76 -0.336 3.726 3.107 1.00 0.00 C ATOM 1077 CD1 ILE A 76 2.520 4.406 3.387 1.00 0.00 C ATOM 0 H ILE A 76 0.508 6.087 6.213 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.093 6.222 4.009 1.00 0.00 H new ATOM 0 HB ILE A 76 0.429 3.863 5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.206 6.107 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.810 5.852 4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.461 3.069 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.189 3.126 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.640 4.389 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.412 4.985 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.767 3.654 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.153 3.913 2.487 1.00 0.00 H new ATOM 1088 N ARG A 77 -3.252 5.170 4.266 1.00 0.00 N ATOM 1089 CA ARG A 77 -4.578 4.589 4.398 1.00 0.00 C ATOM 1090 C ARG A 77 -5.207 4.386 3.018 1.00 0.00 C ATOM 1091 O ARG A 77 -5.267 5.316 2.217 1.00 0.00 O ATOM 1092 CB ARG A 77 -5.489 5.484 5.240 1.00 0.00 C ATOM 1093 CG ARG A 77 -5.292 5.216 6.734 1.00 0.00 C ATOM 1094 CD ARG A 77 -6.428 4.354 7.290 1.00 0.00 C ATOM 1095 NE ARG A 77 -5.896 3.401 8.290 1.00 0.00 N ATOM 1096 CZ ARG A 77 -6.634 2.465 8.903 1.00 0.00 C ATOM 1097 NH1 ARG A 77 -7.940 2.351 8.622 1.00 0.00 N ATOM 1098 NH2 ARG A 77 -6.067 1.644 9.797 1.00 0.00 N ATOM 0 H ARG A 77 -3.163 5.867 3.527 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.471 3.626 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.277 6.531 5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.530 5.307 4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.338 4.714 6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.250 6.162 7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.187 4.989 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.914 3.810 6.480 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.906 3.460 8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.372 2.977 7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.502 1.639 9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.074 1.731 10.011 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.629 0.932 10.263 1.00 0.00 H new ATOM 1109 N PHE A 78 -5.660 3.163 2.785 1.00 0.00 N ATOM 1110 CA PHE A 78 -6.284 2.825 1.517 1.00 0.00 C ATOM 1111 C PHE A 78 -7.770 3.188 1.522 1.00 0.00 C ATOM 1112 O PHE A 78 -8.397 3.237 2.579 1.00 0.00 O ATOM 1113 CB PHE A 78 -6.141 1.313 1.336 1.00 0.00 C ATOM 1114 CG PHE A 78 -4.776 0.876 0.798 1.00 0.00 C ATOM 1115 CD1 PHE A 78 -3.643 1.200 1.478 1.00 0.00 C ATOM 1116 CD2 PHE A 78 -4.697 0.164 -0.357 1.00 0.00 C ATOM 1117 CE1 PHE A 78 -2.377 0.795 0.979 1.00 0.00 C ATOM 1118 CE2 PHE A 78 -3.430 -0.241 -0.856 1.00 0.00 C ATOM 1119 CZ PHE A 78 -2.297 0.083 -0.178 1.00 0.00 C ATOM 0 H PHE A 78 -5.607 2.394 3.453 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.806 3.378 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.315 0.825 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.917 0.964 0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.707 1.765 2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.597 -0.094 -0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.477 1.052 1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.367 -0.806 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.334 -0.225 -0.557 1.00 0.00 H new ATOM 1128 N LYS A 79 -8.291 3.434 0.328 1.00 0.00 N ATOM 1129 CA LYS A 79 -9.692 3.791 0.182 1.00 0.00 C ATOM 1130 C LYS A 79 -10.282 3.044 -1.017 1.00 0.00 C ATOM 1131 O LYS A 79 -9.858 3.256 -2.152 1.00 0.00 O ATOM 1132 CB LYS A 79 -9.852 5.309 0.101 1.00 0.00 C ATOM 1133 CG LYS A 79 -10.094 5.911 1.487 1.00 0.00 C ATOM 1134 CD LYS A 79 -11.589 5.974 1.805 1.00 0.00 C ATOM 1135 CE LYS A 79 -12.222 7.235 1.213 1.00 0.00 C ATOM 1136 NZ LYS A 79 -13.698 7.125 1.218 1.00 0.00 N ATOM 0 H LYS A 79 -7.768 3.393 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.258 3.481 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.957 5.749 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.685 5.556 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.583 5.313 2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.667 6.913 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.087 5.091 1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.736 5.962 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.914 8.108 1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.866 7.384 0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.112 7.989 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.987 6.303 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.034 7.005 2.195 1.00 0.00 H new ATOM 1146 N LEU A 80 -11.250 2.189 -0.724 1.00 0.00 N ATOM 1147 CA LEU A 80 -11.902 1.411 -1.763 1.00 0.00 C ATOM 1148 C LEU A 80 -13.127 2.172 -2.271 1.00 0.00 C ATOM 1149 O LEU A 80 -13.820 2.829 -1.494 1.00 0.00 O ATOM 1150 CB LEU A 80 -12.219 0.001 -1.259 1.00 0.00 C ATOM 1151 CG LEU A 80 -11.095 -1.028 -1.395 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -11.561 -2.412 -0.941 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -10.541 -1.049 -2.821 1.00 0.00 C ATOM 0 H LEU A 80 -11.599 2.018 0.219 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.234 1.277 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.499 0.067 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.091 -0.369 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.279 -0.731 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.743 -3.125 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.869 -2.368 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.403 -2.732 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.743 -1.789 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.338 -1.308 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.146 -0.065 -3.072 1.00 0.00 H new ATOM 1164 N LYS A 81 -13.358 2.059 -3.570 1.00 0.00 N ATOM 1165 CA LYS A 81 -14.489 2.729 -4.191 1.00 0.00 C ATOM 1166 C LYS A 81 -15.749 2.467 -3.363 1.00 0.00 C ATOM 1167 O LYS A 81 -15.938 1.367 -2.847 1.00 0.00 O ATOM 1168 CB LYS A 81 -14.619 2.313 -5.657 1.00 0.00 C ATOM 1169 CG LYS A 81 -15.077 0.858 -5.776 1.00 0.00 C ATOM 1170 CD LYS A 81 -16.031 0.678 -6.958 1.00 0.00 C ATOM 1171 CE LYS A 81 -16.941 -0.533 -6.748 1.00 0.00 C ATOM 1172 NZ LYS A 81 -16.740 -1.527 -7.827 1.00 0.00 N ATOM 0 H LYS A 81 -12.781 1.513 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.333 3.808 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.332 2.965 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.661 2.439 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.210 0.209 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.573 0.553 -4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.637 1.576 -7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.458 0.552 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.731 -0.990 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -17.983 -0.213 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.366 -2.343 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.963 -1.093 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.750 -1.845 -7.826 1.00 0.00 H new ATOM 1182 N ARG A 82 -16.577 3.496 -3.263 1.00 0.00 N ATOM 1183 CA ARG A 82 -17.813 3.391 -2.507 1.00 0.00 C ATOM 1184 C ARG A 82 -17.516 3.021 -1.051 1.00 0.00 C ATOM 1185 O ARG A 82 -16.393 2.642 -0.721 1.00 0.00 O ATOM 1186 CB ARG A 82 -18.742 2.338 -3.114 1.00 0.00 C ATOM 1187 CG ARG A 82 -20.028 2.979 -3.641 1.00 0.00 C ATOM 1188 CD ARG A 82 -19.857 3.440 -5.089 1.00 0.00 C ATOM 1189 NE ARG A 82 -21.154 3.374 -5.797 1.00 0.00 N ATOM 1190 CZ ARG A 82 -21.292 3.501 -7.125 1.00 0.00 C ATOM 1191 NH1 ARG A 82 -20.214 3.699 -7.894 1.00 0.00 N ATOM 1192 NH2 ARG A 82 -22.509 3.427 -7.681 1.00 0.00 N ATOM 0 H ARG A 82 -16.416 4.407 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 82 -18.308 4.361 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -18.230 1.821 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -18.987 1.588 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.848 2.263 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -20.298 3.829 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -19.472 4.460 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.124 2.812 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 82 -21.996 3.223 -5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.288 3.753 -7.470 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.319 3.796 -8.904 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -23.329 3.274 -7.094 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.615 3.523 -8.691 1.00 0.00 H new ATOM 1203 N PRO A 83 -18.569 3.146 -0.200 1.00 0.00 N ATOM 1204 CA PRO A 83 -18.431 2.830 1.211 1.00 0.00 C ATOM 1205 C PRO A 83 -18.389 1.316 1.432 1.00 0.00 C ATOM 1206 O PRO A 83 -17.420 0.792 1.980 1.00 0.00 O ATOM 1207 CB PRO A 83 -19.622 3.495 1.882 1.00 0.00 C ATOM 1208 CG PRO A 83 -20.628 3.763 0.774 1.00 0.00 C ATOM 1209 CD PRO A 83 -19.912 3.592 -0.556 1.00 0.00 C ATOM 0 HA PRO A 83 -17.496 3.197 1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.049 2.849 2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -19.326 4.422 2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -21.469 3.073 0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -21.034 4.771 0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -20.418 2.861 -1.187 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -19.883 4.528 -1.113 1.00 0.00 H new ATOM 1214 N SER A 84 -19.451 0.657 0.995 1.00 0.00 N ATOM 1215 CA SER A 84 -19.548 -0.785 1.138 1.00 0.00 C ATOM 1216 C SER A 84 -19.589 -1.163 2.620 1.00 0.00 C ATOM 1217 O SER A 84 -19.284 -0.340 3.482 1.00 0.00 O ATOM 1218 CB SER A 84 -18.378 -1.487 0.444 1.00 0.00 C ATOM 1219 OG SER A 84 -18.820 -2.527 -0.425 1.00 0.00 O ATOM 0 H SER A 84 -20.253 1.095 0.541 1.00 0.00 H new ATOM 0 HA SER A 84 -20.471 -1.114 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 84 -17.804 -0.757 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.707 -1.903 1.196 1.00 0.00 H new ATOM 0 HG SER A 84 -18.045 -2.950 -0.850 1.00 0.00 H new ATOM 1224 N SER A 85 -19.968 -2.408 2.870 1.00 0.00 N ATOM 1225 CA SER A 85 -20.052 -2.905 4.233 1.00 0.00 C ATOM 1226 C SER A 85 -19.449 -4.308 4.318 1.00 0.00 C ATOM 1227 O SER A 85 -19.544 -5.087 3.370 1.00 0.00 O ATOM 1228 CB SER A 85 -21.501 -2.919 4.725 1.00 0.00 C ATOM 1229 OG SER A 85 -22.116 -1.640 4.612 1.00 0.00 O ATOM 0 H SER A 85 -20.220 -3.087 2.152 1.00 0.00 H new ATOM 0 HA SER A 85 -19.484 -2.234 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 85 -22.072 -3.648 4.150 1.00 0.00 H new ATOM 0 HB3 SER A 85 -21.527 -3.243 5.765 1.00 0.00 H new ATOM 0 HG SER A 85 -23.040 -1.692 4.935 1.00 0.00 H new ATOM 1234 N GLY A 86 -18.841 -4.588 5.461 1.00 0.00 N ATOM 1235 CA GLY A 86 -18.222 -5.884 5.682 1.00 0.00 C ATOM 1236 C GLY A 86 -17.222 -5.825 6.838 1.00 0.00 C ATOM 1237 O GLY A 86 -16.289 -5.024 6.817 1.00 0.00 O ATOM 0 H GLY A 86 -18.764 -3.939 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.991 -6.626 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.714 -6.208 4.774 1.00 0.00 H new ATOM 1241 N PRO A 87 -17.458 -6.706 7.847 1.00 0.00 N ATOM 1242 CA PRO A 87 -16.589 -6.762 9.010 1.00 0.00 C ATOM 1243 C PRO A 87 -15.265 -7.449 8.673 1.00 0.00 C ATOM 1244 O PRO A 87 -15.165 -8.156 7.671 1.00 0.00 O ATOM 1245 CB PRO A 87 -17.391 -7.505 10.065 1.00 0.00 C ATOM 1246 CG PRO A 87 -18.488 -8.241 9.313 1.00 0.00 C ATOM 1247 CD PRO A 87 -18.553 -7.670 7.906 1.00 0.00 C ATOM 0 HA PRO A 87 -16.303 -5.773 9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.760 -8.202 10.616 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -17.813 -6.813 10.794 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -18.278 -9.310 9.282 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -19.446 -8.119 9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -18.434 -8.451 7.155 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -19.513 -7.191 7.717 1.00 0.00 H new ATOM 1252 N SER A 88 -14.280 -7.216 9.528 1.00 0.00 N ATOM 1253 CA SER A 88 -12.965 -7.803 9.333 1.00 0.00 C ATOM 1254 C SER A 88 -12.740 -8.930 10.344 1.00 0.00 C ATOM 1255 O SER A 88 -13.124 -8.811 11.506 1.00 0.00 O ATOM 1256 CB SER A 88 -11.865 -6.747 9.463 1.00 0.00 C ATOM 1257 OG SER A 88 -11.289 -6.420 8.202 1.00 0.00 O ATOM 0 H SER A 88 -14.366 -6.629 10.358 1.00 0.00 H new ATOM 0 HA SER A 88 -12.920 -8.213 8.324 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.278 -5.847 9.917 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.087 -7.114 10.133 1.00 0.00 H new ATOM 0 HG SER A 88 -10.593 -5.742 8.326 1.00 0.00 H new ATOM 1262 N SER A 89 -12.119 -9.998 9.863 1.00 0.00 N ATOM 1263 CA SER A 89 -11.840 -11.145 10.709 1.00 0.00 C ATOM 1264 C SER A 89 -13.043 -11.438 11.609 1.00 0.00 C ATOM 1265 O SER A 89 -13.068 -11.030 12.769 1.00 0.00 O ATOM 1266 CB SER A 89 -10.588 -10.912 11.557 1.00 0.00 C ATOM 1267 OG SER A 89 -9.454 -10.586 10.756 1.00 0.00 O ATOM 0 H SER A 89 -11.802 -10.092 8.898 1.00 0.00 H new ATOM 0 HA SER A 89 -11.657 -12.006 10.067 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.775 -10.106 12.266 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.374 -11.807 12.141 1.00 0.00 H new ATOM 0 HG SER A 89 -8.676 -10.443 11.334 1.00 0.00 H new ATOM 1272 N GLY A 90 -14.010 -12.142 11.040 1.00 0.00 N ATOM 1273 CA GLY A 90 -15.211 -12.495 11.775 1.00 0.00 C ATOM 1274 C GLY A 90 -15.306 -14.008 11.979 1.00 0.00 C ATOM 1275 O GLY A 90 -16.287 -14.632 11.577 1.00 0.00 O ATOM 0 H GLY A 90 -13.986 -12.478 10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.209 -11.994 12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -16.089 -12.142 11.234 1.00 0.00 H new TER 1279 GLY A 90