USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 hydrogens (31 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 17 SER OG : rot 98:sc= 1.19 USER MOD Set 1.2: A 48 THR OG1 : rot 84:sc= 1.09 USER MOD Set 2.1: A 1 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Set 2.2: A 6 THR OG1 : rot -74:sc= 1.26 USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.19 (180deg=0.654) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : A 24 THR OG1 : rot -29:sc= 0.296 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -133:sc= -0.409 USER MOD Single : A 46 MET CE :methyl -159:sc= -0.35 (180deg=-0.853) USER MOD Single : A 54 SER OG : rot 78:sc= 0.00151 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 26:sc= 1.08 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.759 K(o=0.76,f=-12!) USER MOD Single : A 87 SXH O33 : rot 11:sc= 0.489 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.781 -17.105 3.248 1.00 5.89 N ATOM 2 CA MET A 1 7.830 -16.271 2.673 1.00 5.39 C ATOM 3 C MET A 1 7.838 -14.915 3.357 1.00 4.66 C ATOM 4 O MET A 1 6.807 -14.269 3.485 1.00 4.91 O ATOM 5 CB MET A 1 7.653 -16.112 1.134 1.00 5.72 C ATOM 6 CG MET A 1 6.418 -15.322 0.674 1.00 6.12 C ATOM 7 SD MET A 1 4.856 -16.002 1.282 1.00 6.79 S ATOM 8 CE MET A 1 3.679 -14.884 0.534 1.00 7.46 C ATOM 0 H1 MET A 1 6.980 -18.105 3.042 1.00 5.89 H new ATOM 0 H2 MET A 1 6.750 -16.963 4.278 1.00 5.89 H new ATOM 0 H3 MET A 1 5.863 -16.843 2.835 1.00 5.89 H new ATOM 0 HA MET A 1 8.789 -16.761 2.839 1.00 5.39 H new ATOM 0 HB2 MET A 1 8.542 -15.623 0.735 1.00 5.72 H new ATOM 0 HB3 MET A 1 7.610 -17.106 0.689 1.00 5.72 H new ATOM 0 HG2 MET A 1 6.511 -14.290 1.011 1.00 6.12 H new ATOM 0 HG3 MET A 1 6.396 -15.301 -0.416 1.00 6.12 H new ATOM 0 HE1 MET A 1 2.667 -15.247 0.714 1.00 7.46 H new ATOM 0 HE2 MET A 1 3.792 -13.892 0.970 1.00 7.46 H new ATOM 0 HE3 MET A 1 3.859 -14.831 -0.540 1.00 7.46 H new ATOM 20 N ALA A 2 8.987 -14.517 3.828 1.00 4.17 N ATOM 21 CA ALA A 2 9.167 -13.238 4.494 1.00 3.77 C ATOM 22 C ALA A 2 10.260 -12.468 3.778 1.00 2.58 C ATOM 23 O ALA A 2 10.894 -11.574 4.330 1.00 2.61 O ATOM 24 CB ALA A 2 9.533 -13.457 5.951 1.00 4.69 C ATOM 0 H ALA A 2 9.841 -15.072 3.764 1.00 4.17 H new ATOM 0 HA ALA A 2 8.240 -12.666 4.462 1.00 3.77 H new ATOM 0 HB1 ALA A 2 9.666 -12.493 6.442 1.00 4.69 H new ATOM 0 HB2 ALA A 2 8.735 -14.010 6.447 1.00 4.69 H new ATOM 0 HB3 ALA A 2 10.461 -14.026 6.012 1.00 4.69 H new ATOM 30 N THR A 3 10.467 -12.828 2.550 1.00 2.17 N ATOM 31 CA THR A 3 11.447 -12.206 1.718 1.00 1.65 C ATOM 32 C THR A 3 10.781 -11.081 0.930 1.00 1.51 C ATOM 33 O THR A 3 9.960 -11.353 0.035 1.00 2.34 O ATOM 34 CB THR A 3 11.984 -13.254 0.747 1.00 2.61 C ATOM 35 OG1 THR A 3 12.456 -14.409 1.494 1.00 3.14 O ATOM 36 CG2 THR A 3 13.116 -12.683 -0.098 1.00 3.14 C ATOM 0 H THR A 3 9.949 -13.577 2.090 1.00 2.17 H new ATOM 0 HA THR A 3 12.260 -11.800 2.319 1.00 1.65 H new ATOM 0 HB THR A 3 11.179 -13.555 0.077 1.00 2.61 H new ATOM 0 HG1 THR A 3 12.799 -15.083 0.871 1.00 3.14 H new ATOM 0 HG21 THR A 3 13.482 -13.449 -0.782 1.00 3.14 H new ATOM 0 HG22 THR A 3 12.749 -11.831 -0.670 1.00 3.14 H new ATOM 0 HG23 THR A 3 13.929 -12.360 0.553 1.00 3.14 H new ATOM 44 N LEU A 4 11.070 -9.838 1.334 1.00 1.02 N ATOM 45 CA LEU A 4 10.554 -8.622 0.701 1.00 0.89 C ATOM 46 C LEU A 4 9.064 -8.467 0.944 1.00 0.82 C ATOM 47 O LEU A 4 8.448 -9.256 1.670 1.00 1.00 O ATOM 48 CB LEU A 4 10.855 -8.600 -0.814 1.00 0.93 C ATOM 49 CG LEU A 4 12.326 -8.643 -1.230 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.438 -8.643 -2.740 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.090 -7.470 -0.644 1.00 1.09 C ATOM 0 H LEU A 4 11.682 -9.647 2.127 1.00 1.02 H new ATOM 0 HA LEU A 4 11.068 -7.778 1.160 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.348 -9.449 -1.272 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.410 -7.698 -1.235 1.00 0.93 H new ATOM 0 HG LEU A 4 12.767 -9.561 -0.841 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.489 -8.674 -3.027 1.00 1.31 H new ATOM 0 HD12 LEU A 4 11.926 -9.517 -3.143 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.979 -7.738 -3.139 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.133 -7.524 -0.955 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.653 -6.537 -1.000 1.00 1.09 H new ATOM 0 HD23 LEU A 4 13.033 -7.506 0.444 1.00 1.09 H new ATOM 63 N LEU A 5 8.498 -7.439 0.382 1.00 0.69 N ATOM 64 CA LEU A 5 7.077 -7.232 0.454 1.00 0.62 C ATOM 65 C LEU A 5 6.467 -8.027 -0.683 1.00 0.51 C ATOM 66 O LEU A 5 6.843 -7.824 -1.853 1.00 0.50 O ATOM 67 CB LEU A 5 6.771 -5.728 0.269 1.00 0.64 C ATOM 68 CG LEU A 5 5.297 -5.291 0.278 1.00 0.71 C ATOM 69 CD1 LEU A 5 4.675 -5.495 1.638 1.00 1.14 C ATOM 70 CD2 LEU A 5 5.167 -3.839 -0.145 1.00 1.01 C ATOM 0 H LEU A 5 9.004 -6.722 -0.138 1.00 0.69 H new ATOM 0 HA LEU A 5 6.672 -7.550 1.415 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.287 -5.181 1.058 1.00 0.64 H new ATOM 0 HB3 LEU A 5 7.209 -5.411 -0.677 1.00 0.64 H new ATOM 0 HG LEU A 5 4.762 -5.915 -0.438 1.00 0.71 H new ATOM 0 HD11 LEU A 5 3.633 -5.177 1.613 1.00 1.14 H new ATOM 0 HD12 LEU A 5 4.726 -6.550 1.907 1.00 1.14 H new ATOM 0 HD13 LEU A 5 5.216 -4.905 2.378 1.00 1.14 H new ATOM 0 HD21 LEU A 5 4.116 -3.549 -0.132 1.00 1.01 H new ATOM 0 HD22 LEU A 5 5.726 -3.207 0.545 1.00 1.01 H new ATOM 0 HD23 LEU A 5 5.565 -3.716 -1.152 1.00 1.01 H new ATOM 82 N THR A 6 5.573 -8.933 -0.384 1.00 0.53 N ATOM 83 CA THR A 6 4.967 -9.680 -1.441 1.00 0.54 C ATOM 84 C THR A 6 3.552 -9.190 -1.676 1.00 0.47 C ATOM 85 O THR A 6 3.091 -8.261 -0.982 1.00 0.45 O ATOM 86 CB THR A 6 4.978 -11.220 -1.192 1.00 0.74 C ATOM 87 OG1 THR A 6 4.121 -11.570 -0.086 1.00 0.84 O ATOM 88 CG2 THR A 6 6.387 -11.714 -0.907 1.00 1.01 C ATOM 0 H THR A 6 5.258 -9.164 0.558 1.00 0.53 H new ATOM 0 HA THR A 6 5.570 -9.511 -2.333 1.00 0.54 H new ATOM 0 HB THR A 6 4.607 -11.698 -2.098 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.552 -11.313 0.756 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.368 -12.790 -0.737 1.00 1.01 H new ATOM 0 HG22 THR A 6 7.029 -11.493 -1.759 1.00 1.01 H new ATOM 0 HG23 THR A 6 6.776 -11.213 -0.020 1.00 1.01 H new ATOM 96 N THR A 7 2.867 -9.814 -2.619 1.00 0.53 N ATOM 97 CA THR A 7 1.485 -9.523 -2.933 1.00 0.55 C ATOM 98 C THR A 7 0.641 -9.631 -1.638 1.00 0.49 C ATOM 99 O THR A 7 -0.065 -8.699 -1.253 1.00 0.47 O ATOM 100 CB THR A 7 1.005 -10.563 -3.961 1.00 0.73 C ATOM 101 OG1 THR A 7 2.023 -10.727 -4.978 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.295 -10.117 -4.619 1.00 0.95 C ATOM 0 H THR A 7 3.268 -10.552 -3.198 1.00 0.53 H new ATOM 0 HA THR A 7 1.380 -8.518 -3.342 1.00 0.55 H new ATOM 0 HB THR A 7 0.827 -11.507 -3.446 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.725 -11.390 -5.636 1.00 0.83 H new ATOM 0 HG21 THR A 7 -0.614 -10.869 -5.341 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.065 -9.996 -3.857 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.137 -9.167 -5.130 1.00 0.95 H new ATOM 110 N ASP A 8 0.775 -10.767 -0.965 1.00 0.57 N ATOM 111 CA ASP A 8 0.066 -11.063 0.293 1.00 0.61 C ATOM 112 C ASP A 8 0.290 -10.006 1.355 1.00 0.54 C ATOM 113 O ASP A 8 -0.663 -9.537 1.983 1.00 0.53 O ATOM 114 CB ASP A 8 0.494 -12.416 0.865 1.00 0.81 C ATOM 115 CG ASP A 8 -0.109 -13.590 0.159 1.00 1.41 C ATOM 116 OD1 ASP A 8 0.463 -14.075 -0.841 1.00 2.14 O ATOM 117 OD2 ASP A 8 -1.174 -14.059 0.597 1.00 1.86 O ATOM 0 H ASP A 8 1.385 -11.524 -1.274 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.993 -11.080 0.035 1.00 0.61 H new ATOM 0 HB2 ASP A 8 1.580 -12.493 0.816 1.00 0.81 H new ATOM 0 HB3 ASP A 8 0.219 -12.457 1.919 1.00 0.81 H new ATOM 122 N ASP A 9 1.533 -9.630 1.543 1.00 0.55 N ATOM 123 CA ASP A 9 1.918 -8.676 2.593 1.00 0.57 C ATOM 124 C ASP A 9 1.376 -7.300 2.296 1.00 0.50 C ATOM 125 O ASP A 9 0.950 -6.571 3.207 1.00 0.57 O ATOM 126 CB ASP A 9 3.434 -8.590 2.732 1.00 0.65 C ATOM 127 CG ASP A 9 4.084 -9.912 2.976 1.00 1.13 C ATOM 128 OD1 ASP A 9 3.858 -10.528 4.035 1.00 1.61 O ATOM 129 OD2 ASP A 9 4.806 -10.383 2.076 1.00 1.61 O ATOM 0 H ASP A 9 2.315 -9.968 0.982 1.00 0.55 H new ATOM 0 HA ASP A 9 1.493 -9.040 3.528 1.00 0.57 H new ATOM 0 HB2 ASP A 9 3.850 -8.151 1.825 1.00 0.65 H new ATOM 0 HB3 ASP A 9 3.678 -7.916 3.553 1.00 0.65 H new ATOM 134 N LEU A 10 1.381 -6.949 1.018 1.00 0.43 N ATOM 135 CA LEU A 10 0.894 -5.659 0.556 1.00 0.43 C ATOM 136 C LEU A 10 -0.613 -5.622 0.822 1.00 0.41 C ATOM 137 O LEU A 10 -1.133 -4.664 1.399 1.00 0.47 O ATOM 138 CB LEU A 10 1.182 -5.534 -0.958 1.00 0.46 C ATOM 139 CG LEU A 10 1.393 -4.124 -1.558 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.641 -4.231 -3.045 1.00 0.88 C ATOM 141 CD2 LEU A 10 0.228 -3.191 -1.294 1.00 0.79 C ATOM 0 H LEU A 10 1.724 -7.553 0.271 1.00 0.43 H new ATOM 0 HA LEU A 10 1.384 -4.833 1.071 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.073 -6.123 -1.175 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.354 -6.000 -1.492 1.00 0.46 H new ATOM 0 HG LEU A 10 2.263 -3.693 -1.063 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.789 -3.235 -3.462 1.00 0.88 H new ATOM 0 HD12 LEU A 10 2.531 -4.835 -3.223 1.00 0.88 H new ATOM 0 HD13 LEU A 10 0.782 -4.701 -3.524 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.434 -2.217 -1.739 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -0.678 -3.607 -1.734 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.090 -3.077 -0.219 1.00 0.79 H new ATOM 153 N ARG A 11 -1.285 -6.704 0.418 1.00 0.39 N ATOM 154 CA ARG A 11 -2.719 -6.899 0.640 1.00 0.44 C ATOM 155 C ARG A 11 -3.092 -6.690 2.101 1.00 0.44 C ATOM 156 O ARG A 11 -4.053 -5.988 2.402 1.00 0.48 O ATOM 157 CB ARG A 11 -3.153 -8.290 0.138 1.00 0.52 C ATOM 158 CG ARG A 11 -4.598 -8.673 0.427 1.00 0.70 C ATOM 159 CD ARG A 11 -5.032 -9.877 -0.404 1.00 0.85 C ATOM 160 NE ARG A 11 -4.141 -11.041 -0.265 1.00 1.22 N ATOM 161 CZ ARG A 11 -3.844 -11.897 -1.271 1.00 1.67 C ATOM 162 NH1 ARG A 11 -4.360 -11.708 -2.482 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.033 -12.933 -1.065 1.00 2.23 N ATOM 0 H ARG A 11 -0.842 -7.478 -0.078 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.258 -6.146 0.065 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.993 -8.334 -0.939 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.501 -9.039 0.588 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.710 -8.901 1.487 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.250 -7.827 0.212 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -6.041 -10.166 -0.111 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -5.076 -9.587 -1.454 1.00 0.85 H new ATOM 0 HE ARG A 11 -3.720 -11.214 0.648 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -4.981 -10.917 -2.654 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -4.135 -12.354 -3.239 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -2.628 -13.088 -0.142 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -2.816 -13.571 -1.831 1.00 2.23 H new ATOM 177 N ARG A 12 -2.312 -7.291 2.999 1.00 0.47 N ATOM 178 CA ARG A 12 -2.514 -7.149 4.437 1.00 0.54 C ATOM 179 C ARG A 12 -2.467 -5.695 4.866 1.00 0.54 C ATOM 180 O ARG A 12 -3.374 -5.214 5.530 1.00 0.62 O ATOM 181 CB ARG A 12 -1.459 -7.916 5.212 1.00 0.64 C ATOM 182 CG ARG A 12 -1.530 -9.413 5.085 1.00 1.04 C ATOM 183 CD ARG A 12 -2.831 -9.962 5.639 1.00 1.27 C ATOM 184 NE ARG A 12 -2.770 -11.411 5.785 1.00 1.78 N ATOM 185 CZ ARG A 12 -3.813 -12.249 5.845 1.00 2.34 C ATOM 186 NH1 ARG A 12 -5.059 -11.828 5.568 1.00 2.59 N ATOM 187 NH2 ARG A 12 -3.595 -13.507 6.161 1.00 3.25 N ATOM 0 H ARG A 12 -1.524 -7.889 2.749 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.501 -7.555 4.656 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.475 -7.586 4.879 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.543 -7.653 6.266 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -1.434 -9.694 4.036 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -0.690 -9.863 5.614 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -3.040 -9.505 6.606 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -3.654 -9.695 4.976 1.00 1.27 H new ATOM 0 HE ARG A 12 -1.841 -11.828 5.848 1.00 1.78 H new ATOM 0 HH11 ARG A 12 -5.223 -10.856 5.307 1.00 2.59 H new ATOM 0 HH12 ARG A 12 -5.841 -12.481 5.619 1.00 2.59 H new ATOM 0 HH21 ARG A 12 -2.646 -13.827 6.355 1.00 3.25 H new ATOM 0 HH22 ARG A 12 -4.375 -14.162 6.212 1.00 3.25 H new ATOM 201 N ALA A 13 -1.434 -4.992 4.431 1.00 0.52 N ATOM 202 CA ALA A 13 -1.223 -3.610 4.829 1.00 0.59 C ATOM 203 C ALA A 13 -2.362 -2.737 4.361 1.00 0.59 C ATOM 204 O ALA A 13 -2.834 -1.870 5.099 1.00 0.69 O ATOM 205 CB ALA A 13 0.092 -3.098 4.279 1.00 0.66 C ATOM 0 H ALA A 13 -0.724 -5.359 3.798 1.00 0.52 H new ATOM 0 HA ALA A 13 -1.187 -3.570 5.918 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.236 -2.062 4.585 1.00 0.66 H new ATOM 0 HB2 ALA A 13 0.910 -3.707 4.664 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.078 -3.156 3.191 1.00 0.66 H new ATOM 211 N LEU A 14 -2.814 -2.995 3.155 1.00 0.52 N ATOM 212 CA LEU A 14 -3.913 -2.268 2.581 1.00 0.55 C ATOM 213 C LEU A 14 -5.207 -2.519 3.328 1.00 0.58 C ATOM 214 O LEU A 14 -5.847 -1.568 3.822 1.00 0.68 O ATOM 215 CB LEU A 14 -4.107 -2.630 1.108 1.00 0.52 C ATOM 216 CG LEU A 14 -3.026 -2.176 0.146 1.00 0.56 C ATOM 217 CD1 LEU A 14 -3.401 -2.571 -1.260 1.00 1.30 C ATOM 218 CD2 LEU A 14 -2.841 -0.675 0.230 1.00 1.05 C ATOM 0 H LEU A 14 -2.427 -3.717 2.547 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.661 -1.211 2.663 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -4.196 -3.714 1.033 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -5.056 -2.209 0.776 1.00 0.52 H new ATOM 0 HG LEU A 14 -2.086 -2.657 0.418 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.623 -2.244 -1.950 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.505 -3.654 -1.318 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -4.346 -2.101 -1.530 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -2.062 -0.365 -0.466 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -3.776 -0.178 -0.027 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -2.551 -0.400 1.244 1.00 1.05 H new ATOM 230 N VAL A 15 -5.577 -3.783 3.449 1.00 0.57 N ATOM 231 CA VAL A 15 -6.860 -4.145 4.008 1.00 0.66 C ATOM 232 C VAL A 15 -6.978 -3.748 5.489 1.00 0.72 C ATOM 233 O VAL A 15 -7.985 -3.165 5.901 1.00 0.91 O ATOM 234 CB VAL A 15 -7.202 -5.661 3.772 1.00 0.70 C ATOM 235 CG1 VAL A 15 -6.315 -6.620 4.563 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.664 -5.937 4.020 1.00 1.01 C ATOM 0 H VAL A 15 -5.001 -4.576 3.165 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.611 -3.568 3.468 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.986 -5.855 2.721 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.609 -7.648 4.350 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -5.274 -6.474 4.275 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -6.428 -6.424 5.629 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.869 -6.994 3.849 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.913 -5.682 5.050 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -9.268 -5.335 3.341 1.00 1.01 H new ATOM 246 N GLU A 16 -5.919 -3.985 6.253 1.00 0.66 N ATOM 247 CA GLU A 16 -5.925 -3.704 7.675 1.00 0.79 C ATOM 248 C GLU A 16 -5.967 -2.206 7.967 1.00 0.83 C ATOM 249 O GLU A 16 -6.570 -1.784 8.950 1.00 0.98 O ATOM 250 CB GLU A 16 -4.717 -4.337 8.351 1.00 0.94 C ATOM 251 CG GLU A 16 -4.699 -5.859 8.316 1.00 1.08 C ATOM 252 CD GLU A 16 -3.424 -6.403 8.889 1.00 1.28 C ATOM 253 OE1 GLU A 16 -3.192 -6.283 10.109 1.00 1.49 O ATOM 254 OE2 GLU A 16 -2.649 -7.035 8.145 1.00 1.71 O ATOM 0 H GLU A 16 -5.042 -4.373 5.905 1.00 0.66 H new ATOM 0 HA GLU A 16 -6.835 -4.143 8.083 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -3.812 -3.964 7.872 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -4.685 -4.010 9.390 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -5.548 -6.248 8.879 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -4.814 -6.203 7.288 1.00 1.08 H new ATOM 261 N SER A 17 -5.340 -1.410 7.131 1.00 0.77 N ATOM 262 CA SER A 17 -5.311 0.018 7.363 1.00 0.91 C ATOM 263 C SER A 17 -6.603 0.692 6.885 1.00 0.95 C ATOM 264 O SER A 17 -7.078 1.642 7.506 1.00 1.24 O ATOM 265 CB SER A 17 -4.094 0.639 6.696 1.00 0.98 C ATOM 266 OG SER A 17 -2.907 -0.037 7.092 1.00 1.24 O ATOM 0 H SER A 17 -4.848 -1.721 6.293 1.00 0.77 H new ATOM 0 HA SER A 17 -5.238 0.182 8.438 1.00 0.91 H new ATOM 0 HB2 SER A 17 -4.202 0.591 5.612 1.00 0.98 H new ATOM 0 HB3 SER A 17 -4.025 1.694 6.963 1.00 0.98 H new ATOM 0 HG SER A 17 -2.656 -0.688 6.404 1.00 1.24 H new ATOM 272 N ALA A 18 -7.176 0.191 5.795 1.00 0.83 N ATOM 273 CA ALA A 18 -8.402 0.771 5.257 1.00 0.94 C ATOM 274 C ALA A 18 -9.615 0.335 6.057 1.00 1.41 C ATOM 275 O ALA A 18 -10.568 1.100 6.229 1.00 2.05 O ATOM 276 CB ALA A 18 -8.576 0.410 3.798 1.00 1.05 C ATOM 0 H ALA A 18 -6.816 -0.607 5.271 1.00 0.83 H new ATOM 0 HA ALA A 18 -8.315 1.855 5.337 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.497 0.854 3.421 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -7.729 0.789 3.226 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.627 -0.674 3.695 1.00 1.05 H new ATOM 282 N GLY A 19 -9.581 -0.887 6.527 1.00 1.80 N ATOM 283 CA GLY A 19 -10.663 -1.409 7.304 1.00 2.47 C ATOM 284 C GLY A 19 -10.159 -2.156 8.503 1.00 2.48 C ATOM 285 O GLY A 19 -9.631 -1.557 9.445 1.00 3.01 O ATOM 0 H GLY A 19 -8.809 -1.537 6.381 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -11.310 -0.593 7.626 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -11.270 -2.072 6.688 1.00 2.47 H new ATOM 289 N GLU A 20 -10.295 -3.450 8.473 1.00 2.56 N ATOM 290 CA GLU A 20 -9.858 -4.304 9.560 1.00 2.99 C ATOM 291 C GLU A 20 -9.156 -5.517 8.974 1.00 3.37 C ATOM 292 O GLU A 20 -8.862 -5.539 7.783 1.00 3.90 O ATOM 293 CB GLU A 20 -11.058 -4.731 10.422 1.00 3.57 C ATOM 294 CG GLU A 20 -11.776 -3.572 11.093 1.00 4.14 C ATOM 295 CD GLU A 20 -12.937 -4.001 11.937 1.00 4.54 C ATOM 296 OE1 GLU A 20 -12.717 -4.437 13.091 1.00 4.96 O ATOM 297 OE2 GLU A 20 -14.094 -3.892 11.480 1.00 4.80 O ATOM 0 H GLU A 20 -10.714 -3.954 7.692 1.00 2.56 H new ATOM 0 HA GLU A 20 -9.166 -3.760 10.202 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -11.768 -5.273 9.797 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -10.714 -5.425 11.188 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -11.067 -3.025 11.714 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -12.128 -2.880 10.328 1.00 4.14 H new ATOM 304 N THR A 21 -8.915 -6.529 9.778 1.00 3.68 N ATOM 305 CA THR A 21 -8.244 -7.741 9.339 1.00 4.48 C ATOM 306 C THR A 21 -9.225 -8.672 8.546 1.00 4.44 C ATOM 307 O THR A 21 -9.052 -9.893 8.486 1.00 4.98 O ATOM 308 CB THR A 21 -7.719 -8.477 10.580 1.00 5.48 C ATOM 309 OG1 THR A 21 -7.456 -7.487 11.602 1.00 5.80 O ATOM 310 CG2 THR A 21 -6.422 -9.216 10.262 1.00 6.23 C ATOM 0 H THR A 21 -9.180 -6.538 10.763 1.00 3.68 H new ATOM 0 HA THR A 21 -7.423 -7.477 8.673 1.00 4.48 H new ATOM 0 HB THR A 21 -8.458 -9.205 10.913 1.00 5.48 H new ATOM 0 HG1 THR A 21 -7.120 -7.931 12.409 1.00 5.80 H new ATOM 0 HG21 THR A 21 -6.068 -9.730 11.155 1.00 6.23 H new ATOM 0 HG22 THR A 21 -6.603 -9.944 9.471 1.00 6.23 H new ATOM 0 HG23 THR A 21 -5.668 -8.502 9.932 1.00 6.23 H new ATOM 318 N ASP A 22 -10.171 -8.060 7.868 1.00 4.14 N ATOM 319 CA ASP A 22 -11.207 -8.730 7.093 1.00 4.35 C ATOM 320 C ASP A 22 -11.530 -7.842 5.940 1.00 4.02 C ATOM 321 O ASP A 22 -11.010 -6.737 5.858 1.00 4.29 O ATOM 322 CB ASP A 22 -12.510 -8.960 7.892 1.00 4.92 C ATOM 323 CG ASP A 22 -12.381 -9.891 9.064 1.00 5.42 C ATOM 324 OD1 ASP A 22 -12.433 -11.128 8.861 1.00 5.76 O ATOM 325 OD2 ASP A 22 -12.183 -9.419 10.210 1.00 5.81 O ATOM 0 H ASP A 22 -10.248 -7.043 7.836 1.00 4.14 H new ATOM 0 HA ASP A 22 -10.831 -9.709 6.796 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -12.873 -7.997 8.251 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -13.268 -9.355 7.216 1.00 4.92 H new ATOM 330 N GLY A 23 -12.399 -8.276 5.096 1.00 3.87 N ATOM 331 CA GLY A 23 -12.738 -7.535 3.927 1.00 3.86 C ATOM 332 C GLY A 23 -12.849 -8.468 2.772 1.00 3.70 C ATOM 333 O GLY A 23 -12.074 -9.411 2.668 1.00 4.24 O ATOM 0 H GLY A 23 -12.899 -9.160 5.195 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -13.680 -7.008 4.076 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -11.978 -6.779 3.728 1.00 3.86 H new ATOM 337 N THR A 24 -13.798 -8.259 1.926 1.00 3.36 N ATOM 338 CA THR A 24 -13.972 -9.129 0.801 1.00 3.53 C ATOM 339 C THR A 24 -13.671 -8.374 -0.489 1.00 2.73 C ATOM 340 O THR A 24 -13.759 -8.915 -1.580 1.00 3.11 O ATOM 341 CB THR A 24 -15.395 -9.798 0.784 1.00 4.59 C ATOM 342 OG1 THR A 24 -15.520 -10.786 -0.269 1.00 5.10 O ATOM 343 CG2 THR A 24 -16.498 -8.750 0.639 1.00 5.14 C ATOM 0 H THR A 24 -14.469 -7.494 1.987 1.00 3.36 H new ATOM 0 HA THR A 24 -13.261 -9.950 0.888 1.00 3.53 H new ATOM 0 HB THR A 24 -15.510 -10.305 1.742 1.00 4.59 H new ATOM 0 HG1 THR A 24 -14.929 -10.547 -1.014 1.00 5.10 H new ATOM 0 HG21 THR A 24 -17.470 -9.243 0.630 1.00 5.14 H new ATOM 0 HG22 THR A 24 -16.452 -8.055 1.477 1.00 5.14 H new ATOM 0 HG23 THR A 24 -16.360 -8.204 -0.294 1.00 5.14 H new ATOM 351 N ASP A 25 -13.236 -7.148 -0.339 1.00 2.22 N ATOM 352 CA ASP A 25 -12.928 -6.313 -1.486 1.00 2.06 C ATOM 353 C ASP A 25 -11.418 -6.198 -1.685 1.00 1.66 C ATOM 354 O ASP A 25 -10.886 -6.620 -2.714 1.00 1.97 O ATOM 355 CB ASP A 25 -13.584 -4.939 -1.334 1.00 2.79 C ATOM 356 CG ASP A 25 -13.389 -4.050 -2.533 1.00 3.18 C ATOM 357 OD1 ASP A 25 -13.869 -4.387 -3.624 1.00 3.49 O ATOM 358 OD2 ASP A 25 -12.683 -3.018 -2.409 1.00 3.73 O ATOM 0 H ASP A 25 -13.085 -6.700 0.565 1.00 2.22 H new ATOM 0 HA ASP A 25 -13.338 -6.782 -2.381 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -14.652 -5.071 -1.158 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -13.175 -4.444 -0.453 1.00 2.79 H new ATOM 363 N LEU A 26 -10.728 -5.654 -0.692 1.00 1.45 N ATOM 364 CA LEU A 26 -9.263 -5.533 -0.729 1.00 1.10 C ATOM 365 C LEU A 26 -8.586 -6.869 -0.535 1.00 1.10 C ATOM 366 O LEU A 26 -7.444 -7.076 -0.957 1.00 1.60 O ATOM 367 CB LEU A 26 -8.783 -4.563 0.337 1.00 0.99 C ATOM 368 CG LEU A 26 -9.105 -3.109 0.089 1.00 1.10 C ATOM 369 CD1 LEU A 26 -8.766 -2.293 1.313 1.00 1.49 C ATOM 370 CD2 LEU A 26 -8.323 -2.614 -1.113 1.00 1.62 C ATOM 0 H LEU A 26 -11.155 -5.285 0.157 1.00 1.45 H new ATOM 0 HA LEU A 26 -8.995 -5.154 -1.715 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -9.220 -4.855 1.292 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -7.702 -4.665 0.436 1.00 0.99 H new ATOM 0 HG LEU A 26 -10.170 -3.001 -0.115 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -9.001 -1.245 1.128 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -9.349 -2.651 2.162 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -7.703 -2.393 1.534 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -8.556 -1.564 -1.291 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -7.255 -2.721 -0.922 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -8.595 -3.200 -1.991 1.00 1.62 H new ATOM 382 N SER A 27 -9.269 -7.774 0.103 1.00 1.08 N ATOM 383 CA SER A 27 -8.719 -9.058 0.324 1.00 1.10 C ATOM 384 C SER A 27 -9.070 -9.922 -0.883 1.00 1.13 C ATOM 385 O SER A 27 -10.190 -10.443 -1.009 1.00 1.60 O ATOM 386 CB SER A 27 -9.234 -9.644 1.635 1.00 1.37 C ATOM 387 OG SER A 27 -8.373 -10.647 2.139 1.00 1.84 O ATOM 0 H SER A 27 -10.208 -7.636 0.476 1.00 1.08 H new ATOM 0 HA SER A 27 -7.635 -9.010 0.424 1.00 1.10 H new ATOM 0 HB2 SER A 27 -9.336 -8.848 2.373 1.00 1.37 H new ATOM 0 HB3 SER A 27 -10.228 -10.063 1.479 1.00 1.37 H new ATOM 0 HG SER A 27 -8.735 -10.997 2.980 1.00 1.84 H new ATOM 393 N GLY A 28 -8.157 -9.929 -1.811 1.00 0.95 N ATOM 394 CA GLY A 28 -8.281 -10.647 -3.034 1.00 1.09 C ATOM 395 C GLY A 28 -7.259 -10.115 -3.982 1.00 0.84 C ATOM 396 O GLY A 28 -6.099 -9.931 -3.585 1.00 1.04 O ATOM 0 H GLY A 28 -7.279 -9.416 -1.729 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -8.129 -11.713 -2.868 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -9.283 -10.528 -3.447 1.00 1.09 H new ATOM 400 N ASP A 29 -7.654 -9.814 -5.182 1.00 0.80 N ATOM 401 CA ASP A 29 -6.745 -9.232 -6.151 1.00 0.86 C ATOM 402 C ASP A 29 -6.883 -7.731 -6.076 1.00 0.77 C ATOM 403 O ASP A 29 -7.998 -7.219 -5.976 1.00 1.01 O ATOM 404 CB ASP A 29 -7.026 -9.728 -7.563 1.00 1.28 C ATOM 405 CG ASP A 29 -6.044 -9.165 -8.555 1.00 1.96 C ATOM 406 OD1 ASP A 29 -4.910 -9.657 -8.630 1.00 2.61 O ATOM 407 OD2 ASP A 29 -6.408 -8.225 -9.298 1.00 2.38 O ATOM 0 H ASP A 29 -8.604 -9.959 -5.525 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.725 -9.534 -5.914 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -6.980 -10.817 -7.582 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -8.038 -9.447 -7.853 1.00 1.28 H new ATOM 412 N PHE A 30 -5.776 -7.030 -6.109 1.00 0.58 N ATOM 413 CA PHE A 30 -5.790 -5.598 -5.861 1.00 0.52 C ATOM 414 C PHE A 30 -4.664 -4.869 -6.607 1.00 0.46 C ATOM 415 O PHE A 30 -4.656 -3.647 -6.661 1.00 0.44 O ATOM 416 CB PHE A 30 -5.611 -5.365 -4.342 1.00 0.56 C ATOM 417 CG PHE A 30 -4.284 -5.889 -3.824 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.125 -7.227 -3.541 1.00 0.67 C ATOM 419 CD2 PHE A 30 -3.227 -5.031 -3.575 1.00 0.73 C ATOM 420 CE1 PHE A 30 -2.947 -7.707 -3.024 1.00 0.84 C ATOM 421 CE2 PHE A 30 -2.045 -5.506 -3.063 1.00 0.86 C ATOM 422 CZ PHE A 30 -1.829 -6.840 -2.977 1.00 0.89 C ATOM 0 H PHE A 30 -4.854 -7.420 -6.304 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.739 -5.200 -6.220 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -5.684 -4.298 -4.131 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.425 -5.852 -3.805 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -4.940 -7.910 -3.729 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -3.333 -3.977 -3.786 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -2.875 -8.722 -2.662 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -1.286 -4.814 -2.728 1.00 0.86 H new ATOM 0 HZ PHE A 30 -0.828 -7.233 -2.875 1.00 0.89 H new ATOM 432 N LEU A 31 -3.722 -5.628 -7.157 1.00 0.48 N ATOM 433 CA LEU A 31 -2.495 -5.104 -7.764 1.00 0.49 C ATOM 434 C LEU A 31 -2.718 -3.946 -8.771 1.00 0.43 C ATOM 435 O LEU A 31 -1.968 -2.960 -8.766 1.00 0.46 O ATOM 436 CB LEU A 31 -1.703 -6.252 -8.392 1.00 0.62 C ATOM 437 CG LEU A 31 -0.333 -5.906 -8.950 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.581 -5.374 -7.849 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.287 -7.115 -9.618 1.00 1.53 C ATOM 0 H LEU A 31 -3.788 -6.645 -7.196 1.00 0.48 H new ATOM 0 HA LEU A 31 -1.917 -4.653 -6.958 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.578 -7.031 -7.640 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.301 -6.679 -9.197 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.456 -5.123 -9.698 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.557 -5.133 -8.271 1.00 1.15 H new ATOM 0 HD12 LEU A 31 0.142 -4.476 -7.414 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.698 -6.133 -7.075 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.268 -6.850 -10.012 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.394 -7.918 -8.889 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.354 -7.448 -10.434 1.00 1.53 H new ATOM 451 N ASP A 32 -3.746 -4.052 -9.590 1.00 0.43 N ATOM 452 CA ASP A 32 -4.038 -3.033 -10.603 1.00 0.49 C ATOM 453 C ASP A 32 -5.178 -2.135 -10.179 1.00 0.41 C ATOM 454 O ASP A 32 -5.653 -1.315 -10.970 1.00 0.51 O ATOM 455 CB ASP A 32 -4.397 -3.659 -11.967 1.00 0.68 C ATOM 456 CG ASP A 32 -3.224 -4.205 -12.735 1.00 1.43 C ATOM 457 OD1 ASP A 32 -2.586 -3.441 -13.488 1.00 2.17 O ATOM 458 OD2 ASP A 32 -2.923 -5.425 -12.647 1.00 1.99 O ATOM 0 H ASP A 32 -4.401 -4.834 -9.581 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.125 -2.446 -10.704 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -5.114 -4.464 -11.805 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -4.895 -2.906 -12.578 1.00 0.68 H new ATOM 463 N LEU A 33 -5.614 -2.251 -8.952 1.00 0.36 N ATOM 464 CA LEU A 33 -6.753 -1.482 -8.512 1.00 0.35 C ATOM 465 C LEU A 33 -6.360 -0.079 -8.092 1.00 0.32 C ATOM 466 O LEU A 33 -5.344 0.136 -7.428 1.00 0.38 O ATOM 467 CB LEU A 33 -7.538 -2.197 -7.405 1.00 0.46 C ATOM 468 CG LEU A 33 -8.134 -3.566 -7.771 1.00 0.70 C ATOM 469 CD1 LEU A 33 -8.955 -4.111 -6.620 1.00 1.56 C ATOM 470 CD2 LEU A 33 -8.984 -3.474 -9.028 1.00 1.56 C ATOM 0 H LEU A 33 -5.205 -2.862 -8.245 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.418 -1.391 -9.371 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -6.878 -2.329 -6.548 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.350 -1.544 -7.085 1.00 0.46 H new ATOM 0 HG LEU A 33 -7.309 -4.250 -7.969 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -9.370 -5.081 -6.896 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -8.320 -4.225 -5.742 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -9.767 -3.420 -6.393 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -9.393 -4.457 -9.263 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -9.801 -2.771 -8.864 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -8.369 -3.128 -9.859 1.00 1.56 H new ATOM 482 N ARG A 34 -7.158 0.856 -8.514 1.00 0.39 N ATOM 483 CA ARG A 34 -6.970 2.256 -8.240 1.00 0.49 C ATOM 484 C ARG A 34 -7.438 2.553 -6.826 1.00 0.45 C ATOM 485 O ARG A 34 -8.528 2.133 -6.441 1.00 0.50 O ATOM 486 CB ARG A 34 -7.795 3.078 -9.232 1.00 0.73 C ATOM 487 CG ARG A 34 -7.474 2.820 -10.705 1.00 0.89 C ATOM 488 CD ARG A 34 -6.080 3.290 -11.099 1.00 0.95 C ATOM 489 NE ARG A 34 -5.925 4.746 -10.926 1.00 1.79 N ATOM 490 CZ ARG A 34 -5.199 5.547 -11.721 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.541 5.053 -12.767 1.00 2.76 N ATOM 492 NH2 ARG A 34 -5.117 6.843 -11.452 1.00 3.48 N ATOM 0 H ARG A 34 -7.986 0.662 -9.077 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.916 2.515 -8.339 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.852 2.870 -9.064 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.641 4.136 -9.021 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -7.564 1.753 -10.910 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -8.212 3.327 -11.327 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -5.337 2.771 -10.494 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -5.887 3.025 -12.138 1.00 0.95 H new ATOM 0 HE ARG A 34 -6.408 5.179 -10.139 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -4.585 4.055 -12.972 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -3.993 5.673 -13.364 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -5.605 7.228 -10.643 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -4.566 7.455 -12.054 1.00 3.48 H new ATOM 506 N PHE A 35 -6.629 3.250 -6.057 1.00 0.43 N ATOM 507 CA PHE A 35 -6.987 3.627 -4.680 1.00 0.43 C ATOM 508 C PHE A 35 -8.338 4.333 -4.572 1.00 0.48 C ATOM 509 O PHE A 35 -9.121 4.050 -3.657 1.00 0.52 O ATOM 510 CB PHE A 35 -5.869 4.390 -3.979 1.00 0.44 C ATOM 511 CG PHE A 35 -4.713 3.499 -3.655 1.00 0.47 C ATOM 512 CD1 PHE A 35 -4.701 2.741 -2.511 1.00 0.52 C ATOM 513 CD2 PHE A 35 -3.618 3.451 -4.492 1.00 0.53 C ATOM 514 CE1 PHE A 35 -3.621 1.951 -2.203 1.00 0.58 C ATOM 515 CE2 PHE A 35 -2.537 2.659 -4.194 1.00 0.59 C ATOM 516 CZ PHE A 35 -2.615 1.798 -3.067 1.00 0.60 C ATOM 0 H PHE A 35 -5.709 3.576 -6.353 1.00 0.43 H new ATOM 0 HA PHE A 35 -7.110 2.687 -4.141 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.531 5.208 -4.616 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -6.253 4.837 -3.062 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -5.551 2.766 -1.845 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -3.611 4.045 -5.394 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -3.585 1.447 -1.249 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -1.646 2.690 -4.804 1.00 0.59 H new ATOM 0 HZ PHE A 35 -1.871 1.031 -2.911 1.00 0.60 H new ATOM 526 N GLU A 36 -8.612 5.224 -5.515 1.00 0.53 N ATOM 527 CA GLU A 36 -9.905 5.929 -5.605 1.00 0.67 C ATOM 528 C GLU A 36 -11.072 4.933 -5.715 1.00 0.73 C ATOM 529 O GLU A 36 -12.149 5.130 -5.154 1.00 0.87 O ATOM 530 CB GLU A 36 -9.929 6.885 -6.821 1.00 0.75 C ATOM 531 CG GLU A 36 -9.777 6.190 -8.176 1.00 1.26 C ATOM 532 CD GLU A 36 -9.879 7.135 -9.339 1.00 1.59 C ATOM 533 OE1 GLU A 36 -10.980 7.629 -9.623 1.00 2.04 O ATOM 534 OE2 GLU A 36 -8.859 7.373 -10.017 1.00 1.90 O ATOM 0 H GLU A 36 -7.950 5.486 -6.245 1.00 0.53 H new ATOM 0 HA GLU A 36 -10.022 6.511 -4.691 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.868 7.439 -6.814 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -9.128 7.615 -6.709 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.813 5.683 -8.211 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -10.544 5.422 -8.272 1.00 1.26 H new ATOM 541 N ASP A 37 -10.806 3.837 -6.378 1.00 0.70 N ATOM 542 CA ASP A 37 -11.799 2.835 -6.691 1.00 0.83 C ATOM 543 C ASP A 37 -11.960 1.861 -5.537 1.00 0.82 C ATOM 544 O ASP A 37 -13.040 1.311 -5.313 1.00 0.98 O ATOM 545 CB ASP A 37 -11.370 2.110 -7.973 1.00 0.94 C ATOM 546 CG ASP A 37 -12.276 0.979 -8.379 1.00 1.41 C ATOM 547 OD1 ASP A 37 -13.404 1.250 -8.857 1.00 1.71 O ATOM 548 OD2 ASP A 37 -11.904 -0.180 -8.190 1.00 2.12 O ATOM 0 H ASP A 37 -9.874 3.609 -6.724 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.768 3.308 -6.849 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -11.324 2.833 -8.787 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -10.361 1.720 -7.836 1.00 0.94 H new ATOM 553 N ILE A 38 -10.908 1.684 -4.771 1.00 0.68 N ATOM 554 CA ILE A 38 -10.948 0.771 -3.645 1.00 0.70 C ATOM 555 C ILE A 38 -11.222 1.462 -2.307 1.00 0.72 C ATOM 556 O ILE A 38 -11.138 0.840 -1.244 1.00 0.82 O ATOM 557 CB ILE A 38 -9.729 -0.173 -3.577 1.00 0.69 C ATOM 558 CG1 ILE A 38 -8.411 0.622 -3.604 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.797 -1.172 -4.713 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.150 -0.229 -3.606 1.00 0.75 C ATOM 0 H ILE A 38 -10.015 2.158 -4.904 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.813 0.135 -3.837 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.754 -0.718 -2.633 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -8.405 1.257 -4.490 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -8.384 1.283 -2.738 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -8.936 -1.838 -4.664 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.713 -1.757 -4.629 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.791 -0.641 -5.665 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.274 0.419 -3.626 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -7.125 -0.845 -2.707 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -7.146 -0.871 -4.487 1.00 0.75 H new ATOM 572 N GLY A 39 -11.606 2.728 -2.379 1.00 0.75 N ATOM 573 CA GLY A 39 -12.078 3.443 -1.202 1.00 0.87 C ATOM 574 C GLY A 39 -11.020 4.186 -0.392 1.00 0.68 C ATOM 575 O GLY A 39 -11.227 4.438 0.786 1.00 0.76 O ATOM 0 H GLY A 39 -11.600 3.280 -3.237 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.833 4.162 -1.519 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -12.573 2.729 -0.544 1.00 0.87 H new ATOM 579 N TYR A 40 -9.910 4.545 -0.989 1.00 0.55 N ATOM 580 CA TYR A 40 -8.884 5.307 -0.266 1.00 0.52 C ATOM 581 C TYR A 40 -8.927 6.753 -0.675 1.00 0.56 C ATOM 582 O TYR A 40 -8.884 7.057 -1.858 1.00 0.71 O ATOM 583 CB TYR A 40 -7.468 4.787 -0.534 1.00 0.60 C ATOM 584 CG TYR A 40 -7.158 3.412 -0.025 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.798 2.301 -0.529 1.00 0.75 C ATOM 586 CD2 TYR A 40 -6.184 3.226 0.937 1.00 0.62 C ATOM 587 CE1 TYR A 40 -7.484 1.049 -0.088 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.867 1.972 1.389 1.00 0.79 C ATOM 589 CZ TYR A 40 -6.523 0.888 0.866 1.00 0.93 C ATOM 590 OH TYR A 40 -6.215 -0.356 1.294 1.00 1.21 O ATOM 0 H TYR A 40 -9.682 4.332 -1.960 1.00 0.55 H new ATOM 0 HA TYR A 40 -9.106 5.190 0.795 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.297 4.800 -1.610 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.758 5.484 -0.090 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -8.560 2.423 -1.285 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.664 4.083 1.339 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.995 0.188 -0.493 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -5.110 1.839 2.148 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.180 -0.366 2.273 1.00 1.21 H new ATOM 600 N ASP A 41 -9.016 7.636 0.285 1.00 0.58 N ATOM 601 CA ASP A 41 -8.986 9.063 0.011 1.00 0.77 C ATOM 602 C ASP A 41 -7.548 9.545 0.029 1.00 0.91 C ATOM 603 O ASP A 41 -7.082 10.198 -0.912 1.00 1.78 O ATOM 604 CB ASP A 41 -9.843 9.837 1.015 1.00 0.86 C ATOM 605 CG ASP A 41 -9.856 11.334 0.758 1.00 1.62 C ATOM 606 OD1 ASP A 41 -10.277 11.759 -0.321 1.00 2.34 O ATOM 607 OD2 ASP A 41 -9.454 12.104 1.654 1.00 2.07 O ATOM 0 H ASP A 41 -9.111 7.398 1.272 1.00 0.58 H new ATOM 0 HA ASP A 41 -9.410 9.245 -0.977 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -10.865 9.459 0.979 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -9.470 9.650 2.022 1.00 0.86 H new ATOM 612 N SER A 42 -6.837 9.139 1.076 1.00 0.59 N ATOM 613 CA SER A 42 -5.412 9.452 1.292 1.00 0.58 C ATOM 614 C SER A 42 -4.986 8.974 2.684 1.00 0.51 C ATOM 615 O SER A 42 -3.905 8.404 2.858 1.00 0.51 O ATOM 616 CB SER A 42 -5.142 10.967 1.187 1.00 0.71 C ATOM 617 OG SER A 42 -5.904 11.660 2.212 1.00 0.97 O ATOM 0 H SER A 42 -7.237 8.569 1.821 1.00 0.59 H new ATOM 0 HA SER A 42 -4.840 8.941 0.518 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.078 11.168 1.310 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.424 11.331 0.199 1.00 0.71 H new ATOM 622 N LEU A 43 -5.867 9.187 3.657 1.00 0.48 N ATOM 623 CA LEU A 43 -5.615 8.862 5.064 1.00 0.51 C ATOM 624 C LEU A 43 -5.279 7.371 5.225 1.00 0.46 C ATOM 625 O LEU A 43 -4.263 7.018 5.814 1.00 0.50 O ATOM 626 CB LEU A 43 -6.855 9.250 5.907 1.00 0.60 C ATOM 627 CG LEU A 43 -6.646 9.575 7.405 1.00 0.76 C ATOM 628 CD1 LEU A 43 -6.164 8.382 8.207 1.00 1.40 C ATOM 629 CD2 LEU A 43 -5.692 10.746 7.560 1.00 1.64 C ATOM 0 H LEU A 43 -6.787 9.595 3.493 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.755 9.430 5.419 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -7.318 10.119 5.439 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.572 8.432 5.840 1.00 0.60 H new ATOM 0 HG LEU A 43 -7.621 9.846 7.810 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -6.036 8.672 9.250 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -6.898 7.579 8.142 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -5.211 8.036 7.807 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -5.553 10.965 8.619 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -4.731 10.494 7.113 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -6.106 11.621 7.060 1.00 1.64 H new ATOM 641 N ALA A 44 -6.091 6.514 4.636 1.00 0.44 N ATOM 642 CA ALA A 44 -5.887 5.070 4.741 1.00 0.45 C ATOM 643 C ALA A 44 -4.586 4.657 4.065 1.00 0.41 C ATOM 644 O ALA A 44 -3.909 3.721 4.496 1.00 0.47 O ATOM 645 CB ALA A 44 -7.052 4.331 4.113 1.00 0.51 C ATOM 0 H ALA A 44 -6.900 6.786 4.078 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.826 4.810 5.798 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.889 3.257 4.197 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.974 4.600 4.629 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -7.132 4.605 3.061 1.00 0.51 H new ATOM 651 N LEU A 45 -4.220 5.399 3.041 1.00 0.39 N ATOM 652 CA LEU A 45 -3.029 5.123 2.270 1.00 0.42 C ATOM 653 C LEU A 45 -1.778 5.487 3.072 1.00 0.41 C ATOM 654 O LEU A 45 -0.795 4.743 3.068 1.00 0.44 O ATOM 655 CB LEU A 45 -3.087 5.877 0.923 1.00 0.50 C ATOM 656 CG LEU A 45 -1.894 5.707 -0.035 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.665 4.241 -0.370 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.132 6.506 -1.312 1.00 0.90 C ATOM 0 H LEU A 45 -4.743 6.214 2.720 1.00 0.39 H new ATOM 0 HA LEU A 45 -2.978 4.056 2.054 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -3.988 5.560 0.398 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.199 6.940 1.136 1.00 0.50 H new ATOM 0 HG LEU A 45 -1.001 6.084 0.463 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -0.816 4.151 -1.048 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.458 3.687 0.545 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.556 3.833 -0.848 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.283 6.380 -1.984 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.038 6.149 -1.801 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.245 7.562 -1.065 1.00 0.90 H new ATOM 670 N MET A 46 -1.839 6.598 3.800 1.00 0.42 N ATOM 671 CA MET A 46 -0.698 7.043 4.592 1.00 0.48 C ATOM 672 C MET A 46 -0.456 6.096 5.763 1.00 0.46 C ATOM 673 O MET A 46 0.689 5.776 6.089 1.00 0.53 O ATOM 674 CB MET A 46 -0.837 8.535 5.037 1.00 0.57 C ATOM 675 CG MET A 46 -1.836 8.858 6.152 1.00 0.58 C ATOM 676 SD MET A 46 -1.195 8.529 7.807 1.00 1.46 S ATOM 677 CE MET A 46 -2.529 9.167 8.820 1.00 1.78 C ATOM 0 H MET A 46 -2.659 7.202 3.858 1.00 0.42 H new ATOM 0 HA MET A 46 0.188 7.008 3.958 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.146 8.882 5.357 1.00 0.57 H new ATOM 0 HB3 MET A 46 -1.112 9.122 4.161 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.120 9.908 6.082 1.00 0.58 H new ATOM 0 HG3 MET A 46 -2.742 8.272 5.998 1.00 0.58 H new ATOM 0 HE1 MET A 46 -2.154 9.384 9.820 1.00 1.78 H new ATOM 0 HE2 MET A 46 -2.920 10.081 8.373 1.00 1.78 H new ATOM 0 HE3 MET A 46 -3.325 8.425 8.884 1.00 1.78 H new ATOM 687 N GLU A 47 -1.547 5.605 6.359 1.00 0.44 N ATOM 688 CA GLU A 47 -1.451 4.656 7.460 1.00 0.49 C ATOM 689 C GLU A 47 -0.812 3.344 6.998 1.00 0.47 C ATOM 690 O GLU A 47 0.014 2.752 7.708 1.00 0.51 O ATOM 691 CB GLU A 47 -2.818 4.420 8.113 1.00 0.54 C ATOM 692 CG GLU A 47 -3.404 5.668 8.749 1.00 0.78 C ATOM 693 CD GLU A 47 -4.576 5.389 9.658 1.00 1.06 C ATOM 694 OE1 GLU A 47 -5.679 5.108 9.177 1.00 1.88 O ATOM 695 OE2 GLU A 47 -4.399 5.451 10.903 1.00 1.03 O ATOM 0 H GLU A 47 -2.501 5.851 6.095 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.801 5.089 8.220 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.512 4.044 7.361 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.721 3.645 8.873 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -2.625 6.175 9.319 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.720 6.353 7.962 1.00 0.78 H new ATOM 702 N THR A 48 -1.178 2.920 5.797 1.00 0.45 N ATOM 703 CA THR A 48 -0.613 1.737 5.163 1.00 0.48 C ATOM 704 C THR A 48 0.901 1.943 4.970 1.00 0.44 C ATOM 705 O THR A 48 1.722 1.112 5.406 1.00 0.46 O ATOM 706 CB THR A 48 -1.267 1.537 3.773 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.689 1.389 3.906 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.690 0.320 3.064 1.00 0.65 C ATOM 0 H THR A 48 -1.882 3.392 5.230 1.00 0.45 H new ATOM 0 HA THR A 48 -0.798 0.865 5.790 1.00 0.48 H new ATOM 0 HB THR A 48 -1.051 2.421 3.174 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.108 2.274 3.946 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.168 0.205 2.091 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.383 0.453 2.927 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.871 -0.571 3.665 1.00 0.65 H new ATOM 716 N ALA A 49 1.245 3.060 4.318 1.00 0.45 N ATOM 717 CA ALA A 49 2.618 3.415 4.008 1.00 0.48 C ATOM 718 C ALA A 49 3.479 3.413 5.257 1.00 0.44 C ATOM 719 O ALA A 49 4.521 2.758 5.291 1.00 0.45 O ATOM 720 CB ALA A 49 2.663 4.782 3.336 1.00 0.57 C ATOM 0 H ALA A 49 0.563 3.745 3.991 1.00 0.45 H new ATOM 0 HA ALA A 49 3.019 2.667 3.324 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.697 5.041 3.107 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.083 4.753 2.414 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.242 5.531 4.006 1.00 0.57 H new ATOM 726 N ALA A 50 3.002 4.092 6.292 1.00 0.44 N ATOM 727 CA ALA A 50 3.706 4.203 7.563 1.00 0.46 C ATOM 728 C ALA A 50 4.025 2.835 8.169 1.00 0.44 C ATOM 729 O ALA A 50 5.131 2.619 8.687 1.00 0.44 O ATOM 730 CB ALA A 50 2.893 5.036 8.541 1.00 0.56 C ATOM 0 H ALA A 50 2.109 4.585 6.273 1.00 0.44 H new ATOM 0 HA ALA A 50 4.656 4.699 7.367 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.429 5.112 9.487 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.740 6.034 8.129 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.927 4.560 8.709 1.00 0.56 H new ATOM 736 N ARG A 51 3.083 1.900 8.060 1.00 0.46 N ATOM 737 CA ARG A 51 3.257 0.580 8.649 1.00 0.48 C ATOM 738 C ARG A 51 4.334 -0.200 7.903 1.00 0.46 C ATOM 739 O ARG A 51 5.152 -0.895 8.508 1.00 0.49 O ATOM 740 CB ARG A 51 1.938 -0.205 8.657 1.00 0.54 C ATOM 741 CG ARG A 51 1.970 -1.414 9.580 1.00 0.78 C ATOM 742 CD ARG A 51 0.625 -2.119 9.655 1.00 0.80 C ATOM 743 NE ARG A 51 0.441 -3.195 8.665 1.00 1.68 N ATOM 744 CZ ARG A 51 -0.488 -4.174 8.796 1.00 2.07 C ATOM 745 NH1 ARG A 51 -1.304 -4.191 9.859 1.00 1.80 N ATOM 746 NH2 ARG A 51 -0.581 -5.143 7.887 1.00 3.14 N ATOM 0 H ARG A 51 2.198 2.034 7.572 1.00 0.46 H new ATOM 0 HA ARG A 51 3.574 0.715 9.683 1.00 0.48 H new ATOM 0 HB2 ARG A 51 1.129 0.458 8.964 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.712 -0.535 7.643 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.727 -2.116 9.229 1.00 0.78 H new ATOM 0 HG3 ARG A 51 2.268 -1.097 10.580 1.00 0.78 H new ATOM 0 HD2 ARG A 51 0.504 -2.538 10.654 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.166 -1.381 9.521 1.00 0.80 H new ATOM 0 HE ARG A 51 1.042 -3.204 7.841 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.227 -3.466 10.572 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -2.002 -4.929 9.955 1.00 1.80 H new ATOM 0 HH21 ARG A 51 0.049 -5.152 7.085 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -1.283 -5.876 7.993 1.00 3.14 H new ATOM 760 N LEU A 52 4.356 -0.058 6.593 1.00 0.44 N ATOM 761 CA LEU A 52 5.340 -0.749 5.780 1.00 0.46 C ATOM 762 C LEU A 52 6.720 -0.148 5.977 1.00 0.38 C ATOM 763 O LEU A 52 7.731 -0.869 5.984 1.00 0.40 O ATOM 764 CB LEU A 52 4.936 -0.749 4.306 1.00 0.55 C ATOM 765 CG LEU A 52 3.630 -1.482 3.986 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.322 -1.408 2.504 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.707 -2.936 4.440 1.00 0.80 C ATOM 0 H LEU A 52 3.706 0.528 6.069 1.00 0.44 H new ATOM 0 HA LEU A 52 5.380 -1.788 6.107 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.845 0.284 3.971 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.740 -1.203 3.726 1.00 0.55 H new ATOM 0 HG LEU A 52 2.823 -0.991 4.529 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.390 -1.935 2.299 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.222 -0.365 2.205 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.132 -1.871 1.940 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.770 -3.441 4.204 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.528 -3.435 3.925 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.878 -2.973 5.516 1.00 0.80 H new ATOM 779 N GLU A 53 6.759 1.162 6.166 1.00 0.35 N ATOM 780 CA GLU A 53 7.998 1.868 6.429 1.00 0.33 C ATOM 781 C GLU A 53 8.663 1.360 7.690 1.00 0.34 C ATOM 782 O GLU A 53 9.809 0.893 7.647 1.00 0.41 O ATOM 783 CB GLU A 53 7.762 3.360 6.549 1.00 0.34 C ATOM 784 CG GLU A 53 7.426 4.051 5.255 1.00 0.35 C ATOM 785 CD GLU A 53 7.149 5.507 5.474 1.00 0.42 C ATOM 786 OE1 GLU A 53 5.996 5.865 5.837 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.035 6.330 5.245 1.00 0.49 O ATOM 0 H GLU A 53 5.934 1.762 6.141 1.00 0.35 H new ATOM 0 HA GLU A 53 8.659 1.680 5.583 1.00 0.33 H new ATOM 0 HB2 GLU A 53 6.951 3.530 7.257 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.655 3.822 6.971 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.252 3.937 4.554 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.556 3.577 4.802 1.00 0.35 H new ATOM 794 N SER A 54 7.943 1.426 8.796 1.00 0.36 N ATOM 795 CA SER A 54 8.464 1.002 10.076 1.00 0.43 C ATOM 796 C SER A 54 8.804 -0.493 10.098 1.00 0.42 C ATOM 797 O SER A 54 9.798 -0.901 10.695 1.00 0.48 O ATOM 798 CB SER A 54 7.480 1.370 11.184 1.00 0.55 C ATOM 799 OG SER A 54 7.264 2.781 11.197 1.00 1.22 O ATOM 0 H SER A 54 6.985 1.774 8.829 1.00 0.36 H new ATOM 0 HA SER A 54 9.402 1.530 10.250 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.534 0.851 11.029 1.00 0.55 H new ATOM 0 HB3 SER A 54 7.868 1.044 12.149 1.00 0.55 H new ATOM 0 HG SER A 54 6.648 3.024 10.474 1.00 1.22 H new ATOM 805 N ARG A 55 7.998 -1.298 9.440 1.00 0.44 N ATOM 806 CA ARG A 55 8.237 -2.725 9.406 1.00 0.51 C ATOM 807 C ARG A 55 9.491 -3.100 8.613 1.00 0.56 C ATOM 808 O ARG A 55 10.368 -3.793 9.126 1.00 0.64 O ATOM 809 CB ARG A 55 7.021 -3.472 8.875 1.00 0.60 C ATOM 810 CG ARG A 55 7.203 -4.977 8.805 1.00 0.77 C ATOM 811 CD ARG A 55 5.916 -5.654 8.428 1.00 0.95 C ATOM 812 NE ARG A 55 4.870 -5.380 9.412 1.00 1.51 N ATOM 813 CZ ARG A 55 3.643 -5.884 9.400 1.00 1.97 C ATOM 814 NH1 ARG A 55 3.248 -6.664 8.401 1.00 1.87 N ATOM 815 NH2 ARG A 55 2.818 -5.580 10.394 1.00 2.88 N ATOM 0 H ARG A 55 7.174 -0.990 8.923 1.00 0.44 H new ATOM 0 HA ARG A 55 8.413 -3.031 10.437 1.00 0.51 H new ATOM 0 HB2 ARG A 55 6.164 -3.249 9.511 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.784 -3.098 7.879 1.00 0.60 H new ATOM 0 HG2 ARG A 55 7.975 -5.221 8.075 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.547 -5.351 9.769 1.00 0.77 H new ATOM 0 HD2 ARG A 55 5.594 -5.309 7.445 1.00 0.95 H new ATOM 0 HD3 ARG A 55 6.076 -6.730 8.352 1.00 0.95 H new ATOM 0 HE ARG A 55 5.104 -4.745 10.175 1.00 1.51 H new ATOM 0 HH11 ARG A 55 3.889 -6.879 7.637 1.00 1.87 H new ATOM 0 HH12 ARG A 55 2.303 -7.049 8.397 1.00 1.87 H new ATOM 0 HH21 ARG A 55 3.132 -4.969 11.148 1.00 2.88 H new ATOM 0 HH22 ARG A 55 1.870 -5.957 10.404 1.00 2.88 H new ATOM 829 N TYR A 56 9.592 -2.617 7.390 1.00 0.56 N ATOM 830 CA TYR A 56 10.676 -3.032 6.503 1.00 0.67 C ATOM 831 C TYR A 56 11.928 -2.174 6.625 1.00 0.70 C ATOM 832 O TYR A 56 12.967 -2.519 6.071 1.00 0.86 O ATOM 833 CB TYR A 56 10.204 -3.092 5.043 1.00 0.75 C ATOM 834 CG TYR A 56 9.154 -4.149 4.780 1.00 0.85 C ATOM 835 CD1 TYR A 56 9.517 -5.469 4.558 1.00 1.09 C ATOM 836 CD2 TYR A 56 7.806 -3.831 4.762 1.00 0.82 C ATOM 837 CE1 TYR A 56 8.566 -6.439 4.323 1.00 1.24 C ATOM 838 CE2 TYR A 56 6.850 -4.794 4.531 1.00 0.96 C ATOM 839 CZ TYR A 56 7.235 -6.097 4.311 1.00 1.17 C ATOM 840 OH TYR A 56 6.279 -7.062 4.089 1.00 1.33 O ATOM 0 H TYR A 56 8.945 -1.941 6.984 1.00 0.56 H new ATOM 0 HA TYR A 56 10.957 -4.033 6.829 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.804 -2.118 4.761 1.00 0.75 H new ATOM 0 HB3 TYR A 56 11.064 -3.281 4.401 1.00 0.75 H new ATOM 0 HD1 TYR A 56 10.562 -5.742 4.569 1.00 1.09 H new ATOM 0 HD2 TYR A 56 7.500 -2.809 4.932 1.00 0.82 H new ATOM 0 HE1 TYR A 56 8.865 -7.462 4.149 1.00 1.24 H new ATOM 0 HE2 TYR A 56 5.803 -4.529 4.522 1.00 0.96 H new ATOM 0 HH TYR A 56 5.389 -6.653 4.114 1.00 1.33 H new ATOM 850 N GLY A 57 11.840 -1.077 7.338 1.00 0.61 N ATOM 851 CA GLY A 57 12.990 -0.206 7.484 1.00 0.68 C ATOM 852 C GLY A 57 13.196 0.620 6.239 1.00 0.72 C ATOM 853 O GLY A 57 14.309 0.745 5.722 1.00 0.91 O ATOM 0 H GLY A 57 10.998 -0.766 7.822 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.848 0.451 8.342 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.881 -0.802 7.682 1.00 0.68 H new ATOM 857 N VAL A 58 12.119 1.163 5.748 1.00 0.62 N ATOM 858 CA VAL A 58 12.115 1.964 4.537 1.00 0.65 C ATOM 859 C VAL A 58 11.373 3.244 4.795 1.00 0.57 C ATOM 860 O VAL A 58 10.816 3.418 5.872 1.00 0.50 O ATOM 861 CB VAL A 58 11.455 1.240 3.318 1.00 0.67 C ATOM 862 CG1 VAL A 58 12.236 0.014 2.915 1.00 0.81 C ATOM 863 CG2 VAL A 58 10.015 0.855 3.627 1.00 0.57 C ATOM 0 H VAL A 58 11.199 1.066 6.178 1.00 0.62 H new ATOM 0 HA VAL A 58 13.158 2.149 4.279 1.00 0.65 H new ATOM 0 HB VAL A 58 11.462 1.942 2.484 1.00 0.67 H new ATOM 0 HG11 VAL A 58 11.749 -0.464 2.065 1.00 0.81 H new ATOM 0 HG12 VAL A 58 13.249 0.303 2.637 1.00 0.81 H new ATOM 0 HG13 VAL A 58 12.274 -0.684 3.751 1.00 0.81 H new ATOM 0 HG21 VAL A 58 9.579 0.353 2.763 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.994 0.184 4.485 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.439 1.752 3.854 1.00 0.57 H new ATOM 873 N SER A 59 11.382 4.133 3.858 1.00 0.63 N ATOM 874 CA SER A 59 10.593 5.311 3.954 1.00 0.63 C ATOM 875 C SER A 59 10.043 5.641 2.580 1.00 0.62 C ATOM 876 O SER A 59 10.765 5.591 1.584 1.00 0.73 O ATOM 877 CB SER A 59 11.383 6.484 4.544 1.00 0.83 C ATOM 878 OG SER A 59 10.510 7.575 4.866 1.00 1.41 O ATOM 0 H SER A 59 11.937 4.061 3.005 1.00 0.63 H new ATOM 0 HA SER A 59 9.766 5.131 4.641 1.00 0.63 H new ATOM 0 HB2 SER A 59 11.911 6.158 5.440 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.138 6.815 3.831 1.00 0.83 H new ATOM 0 HG SER A 59 9.607 7.233 5.033 1.00 1.41 H new ATOM 884 N ILE A 60 8.765 5.918 2.531 1.00 0.52 N ATOM 885 CA ILE A 60 8.085 6.213 1.293 1.00 0.53 C ATOM 886 C ILE A 60 7.978 7.718 1.122 1.00 0.59 C ATOM 887 O ILE A 60 7.295 8.382 1.907 1.00 0.67 O ATOM 888 CB ILE A 60 6.670 5.576 1.263 1.00 0.51 C ATOM 889 CG1 ILE A 60 6.779 4.064 1.506 1.00 0.50 C ATOM 890 CG2 ILE A 60 5.979 5.857 -0.078 1.00 0.57 C ATOM 891 CD1 ILE A 60 5.452 3.350 1.590 1.00 0.55 C ATOM 0 H ILE A 60 8.162 5.946 3.353 1.00 0.52 H new ATOM 0 HA ILE A 60 8.663 5.788 0.472 1.00 0.53 H new ATOM 0 HB ILE A 60 6.065 6.020 2.054 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.367 3.620 0.702 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.328 3.896 2.432 1.00 0.50 H new ATOM 0 HG21 ILE A 60 4.988 5.402 -0.079 1.00 0.57 H new ATOM 0 HG22 ILE A 60 5.884 6.934 -0.220 1.00 0.57 H new ATOM 0 HG23 ILE A 60 6.573 5.435 -0.889 1.00 0.57 H new ATOM 0 HD11 ILE A 60 5.621 2.287 1.763 1.00 0.55 H new ATOM 0 HD12 ILE A 60 4.868 3.763 2.412 1.00 0.55 H new ATOM 0 HD13 ILE A 60 4.907 3.483 0.655 1.00 0.55 H new ATOM 903 N PRO A 61 8.682 8.287 0.138 1.00 0.62 N ATOM 904 CA PRO A 61 8.633 9.720 -0.138 1.00 0.71 C ATOM 905 C PRO A 61 7.218 10.178 -0.525 1.00 0.65 C ATOM 906 O PRO A 61 6.448 9.433 -1.163 1.00 0.57 O ATOM 907 CB PRO A 61 9.613 9.902 -1.297 1.00 0.78 C ATOM 908 CG PRO A 61 10.493 8.703 -1.233 1.00 0.77 C ATOM 909 CD PRO A 61 9.611 7.593 -0.766 1.00 0.64 C ATOM 0 HA PRO A 61 8.894 10.319 0.734 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.091 9.961 -2.252 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.187 10.822 -1.190 1.00 0.78 H new ATOM 0 HG2 PRO A 61 10.924 8.479 -2.209 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.324 8.861 -0.546 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.090 7.113 -1.594 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.175 6.816 -0.251 1.00 0.64 H new ATOM 917 N ASP A 62 6.914 11.405 -0.173 1.00 0.75 N ATOM 918 CA ASP A 62 5.568 11.995 -0.292 1.00 0.78 C ATOM 919 C ASP A 62 5.028 11.951 -1.719 1.00 0.68 C ATOM 920 O ASP A 62 3.935 11.427 -1.965 1.00 0.67 O ATOM 921 CB ASP A 62 5.595 13.438 0.203 1.00 0.99 C ATOM 922 CG ASP A 62 4.224 14.078 0.300 1.00 1.34 C ATOM 923 OD1 ASP A 62 3.690 14.558 -0.726 1.00 2.03 O ATOM 924 OD2 ASP A 62 3.688 14.166 1.417 1.00 1.88 O ATOM 0 H ASP A 62 7.601 12.051 0.216 1.00 0.75 H new ATOM 0 HA ASP A 62 4.898 11.395 0.323 1.00 0.78 H new ATOM 0 HB2 ASP A 62 6.069 13.467 1.184 1.00 0.99 H new ATOM 0 HB3 ASP A 62 6.216 14.031 -0.469 1.00 0.99 H new ATOM 929 N ASP A 63 5.817 12.429 -2.669 1.00 0.67 N ATOM 930 CA ASP A 63 5.373 12.500 -4.068 1.00 0.67 C ATOM 931 C ASP A 63 5.362 11.118 -4.697 1.00 0.58 C ATOM 932 O ASP A 63 4.680 10.886 -5.702 1.00 0.60 O ATOM 933 CB ASP A 63 6.249 13.440 -4.901 1.00 0.85 C ATOM 934 CG ASP A 63 7.636 12.902 -5.157 1.00 1.44 C ATOM 935 OD1 ASP A 63 8.451 12.878 -4.230 1.00 2.23 O ATOM 936 OD2 ASP A 63 7.947 12.535 -6.306 1.00 1.95 O ATOM 0 H ASP A 63 6.763 12.773 -2.507 1.00 0.67 H new ATOM 0 HA ASP A 63 4.360 12.903 -4.061 1.00 0.67 H new ATOM 0 HB2 ASP A 63 5.759 13.629 -5.856 1.00 0.85 H new ATOM 0 HB3 ASP A 63 6.329 14.399 -4.389 1.00 0.85 H new ATOM 941 N VAL A 64 6.077 10.191 -4.079 1.00 0.60 N ATOM 942 CA VAL A 64 6.090 8.819 -4.536 1.00 0.64 C ATOM 943 C VAL A 64 4.792 8.177 -4.119 1.00 0.60 C ATOM 944 O VAL A 64 4.173 7.486 -4.886 1.00 0.58 O ATOM 945 CB VAL A 64 7.285 8.015 -3.974 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.234 6.570 -4.454 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.581 8.649 -4.406 1.00 0.98 C ATOM 0 H VAL A 64 6.656 10.369 -3.258 1.00 0.60 H new ATOM 0 HA VAL A 64 6.200 8.816 -5.620 1.00 0.64 H new ATOM 0 HB VAL A 64 7.224 8.023 -2.886 1.00 0.84 H new ATOM 0 HG11 VAL A 64 8.084 6.021 -4.047 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.307 6.107 -4.116 1.00 0.97 H new ATOM 0 HG13 VAL A 64 7.275 6.547 -5.543 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.417 8.076 -4.006 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.636 8.659 -5.495 1.00 0.98 H new ATOM 0 HG23 VAL A 64 8.629 9.671 -4.031 1.00 0.98 H new ATOM 957 N ALA A 65 4.373 8.439 -2.910 1.00 0.72 N ATOM 958 CA ALA A 65 3.082 7.965 -2.446 1.00 0.85 C ATOM 959 C ALA A 65 1.962 8.565 -3.308 1.00 0.80 C ATOM 960 O ALA A 65 0.956 7.922 -3.576 1.00 0.90 O ATOM 961 CB ALA A 65 2.892 8.311 -0.993 1.00 1.09 C ATOM 0 H ALA A 65 4.901 8.977 -2.223 1.00 0.72 H new ATOM 0 HA ALA A 65 3.043 6.880 -2.542 1.00 0.85 H new ATOM 0 HB1 ALA A 65 1.920 7.950 -0.657 1.00 1.09 H new ATOM 0 HB2 ALA A 65 3.678 7.841 -0.401 1.00 1.09 H new ATOM 0 HB3 ALA A 65 2.941 9.393 -0.867 1.00 1.09 H new ATOM 967 N GLY A 66 2.192 9.786 -3.784 1.00 0.73 N ATOM 968 CA GLY A 66 1.241 10.464 -4.652 1.00 0.81 C ATOM 969 C GLY A 66 1.147 9.845 -6.053 1.00 0.73 C ATOM 970 O GLY A 66 0.152 10.021 -6.745 1.00 0.92 O ATOM 0 H GLY A 66 3.033 10.326 -3.580 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.256 10.442 -4.186 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.527 11.512 -4.744 1.00 0.81 H new ATOM 974 N ARG A 67 2.181 9.127 -6.470 1.00 0.56 N ATOM 975 CA ARG A 67 2.178 8.467 -7.790 1.00 0.61 C ATOM 976 C ARG A 67 1.743 7.020 -7.667 1.00 0.58 C ATOM 977 O ARG A 67 1.729 6.270 -8.641 1.00 0.79 O ATOM 978 CB ARG A 67 3.545 8.560 -8.506 1.00 0.63 C ATOM 979 CG ARG A 67 4.717 8.190 -7.638 1.00 0.57 C ATOM 980 CD ARG A 67 6.006 8.035 -8.399 1.00 0.87 C ATOM 981 NE ARG A 67 6.045 6.779 -9.139 1.00 1.64 N ATOM 982 CZ ARG A 67 7.159 6.185 -9.569 1.00 2.30 C ATOM 983 NH1 ARG A 67 8.352 6.733 -9.338 1.00 2.40 N ATOM 984 NH2 ARG A 67 7.078 5.028 -10.188 1.00 3.30 N ATOM 0 H ARG A 67 3.031 8.981 -5.926 1.00 0.56 H new ATOM 0 HA ARG A 67 1.457 9.005 -8.406 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.532 7.907 -9.379 1.00 0.63 H new ATOM 0 HB3 ARG A 67 3.684 9.577 -8.872 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.847 8.955 -6.872 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.495 7.256 -7.122 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.123 8.869 -9.091 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.846 8.075 -7.705 1.00 0.87 H new ATOM 0 HE ARG A 67 5.156 6.322 -9.342 1.00 1.64 H new ATOM 0 HH11 ARG A 67 8.418 7.614 -8.828 1.00 2.40 H new ATOM 0 HH12 ARG A 67 9.198 6.271 -9.671 1.00 2.40 H new ATOM 0 HH21 ARG A 67 6.168 4.591 -10.336 1.00 3.30 H new ATOM 0 HH22 ARG A 67 7.925 4.567 -10.520 1.00 3.30 H new ATOM 998 N VAL A 68 1.399 6.622 -6.468 1.00 0.45 N ATOM 999 CA VAL A 68 0.908 5.332 -6.222 1.00 0.45 C ATOM 1000 C VAL A 68 -0.604 5.356 -6.449 1.00 0.46 C ATOM 1001 O VAL A 68 -1.381 5.701 -5.561 1.00 0.53 O ATOM 1002 CB VAL A 68 1.257 4.897 -4.777 1.00 0.53 C ATOM 1003 CG1 VAL A 68 0.674 3.570 -4.472 1.00 1.45 C ATOM 1004 CG2 VAL A 68 2.754 4.838 -4.573 1.00 0.85 C ATOM 0 H VAL A 68 1.461 7.210 -5.637 1.00 0.45 H new ATOM 0 HA VAL A 68 1.365 4.607 -6.896 1.00 0.45 H new ATOM 0 HB VAL A 68 0.834 5.642 -4.103 1.00 0.53 H new ATOM 0 HG11 VAL A 68 0.932 3.285 -3.452 1.00 1.45 H new ATOM 0 HG12 VAL A 68 -0.410 3.617 -4.572 1.00 1.45 H new ATOM 0 HG13 VAL A 68 1.071 2.830 -5.167 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.970 4.530 -3.550 1.00 0.85 H new ATOM 0 HG22 VAL A 68 3.188 4.119 -5.268 1.00 0.85 H new ATOM 0 HG23 VAL A 68 3.185 5.823 -4.754 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.996 5.126 -7.685 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.422 5.095 -8.049 1.00 0.53 C ATOM 1016 C ASP A 69 -2.889 3.690 -7.855 1.00 0.42 C ATOM 1017 O ASP A 69 -4.076 3.420 -7.663 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.643 5.387 -9.538 1.00 0.71 C ATOM 1019 CG ASP A 69 -1.920 6.571 -10.097 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -2.398 7.703 -9.960 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -0.880 6.366 -10.760 1.00 2.04 O ATOM 0 H ASP A 69 -0.358 4.956 -8.463 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.943 5.837 -7.445 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -2.347 4.506 -10.107 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -3.711 5.529 -9.704 1.00 0.71 H new ATOM 1026 N THR A 70 -1.930 2.806 -7.918 1.00 0.35 N ATOM 1027 CA THR A 70 -2.121 1.404 -7.810 1.00 0.29 C ATOM 1028 C THR A 70 -1.057 0.860 -6.856 1.00 0.26 C ATOM 1029 O THR A 70 0.062 1.407 -6.802 1.00 0.29 O ATOM 1030 CB THR A 70 -1.967 0.747 -9.202 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.759 1.225 -9.829 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.158 1.048 -10.102 1.00 0.39 C ATOM 0 H THR A 70 -0.953 3.067 -8.052 1.00 0.35 H new ATOM 0 HA THR A 70 -3.119 1.181 -7.432 1.00 0.29 H new ATOM 0 HB THR A 70 -1.917 -0.332 -9.060 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.660 0.807 -10.710 1.00 0.50 H new ATOM 0 HG21 THR A 70 -3.012 0.569 -11.070 1.00 0.39 H new ATOM 0 HG22 THR A 70 -4.068 0.665 -9.641 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.247 2.126 -10.240 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.376 -0.205 -6.091 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.468 -0.799 -5.084 1.00 0.31 C ATOM 1042 C PRO A 71 0.890 -1.198 -5.663 1.00 0.32 C ATOM 1043 O PRO A 71 1.892 -1.240 -4.945 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.231 -2.039 -4.618 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.656 -1.704 -4.862 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.670 -0.917 -6.129 1.00 0.30 C ATOM 0 HA PRO A 71 -0.231 -0.092 -4.289 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -0.929 -2.925 -5.176 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.046 -2.248 -3.564 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.261 -2.606 -4.954 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.070 -1.125 -4.036 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -2.750 -1.562 -7.004 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.511 -0.225 -6.165 1.00 0.30 H new ATOM 1054 N ARG A 72 0.899 -1.481 -6.956 1.00 0.32 N ATOM 1055 CA ARG A 72 2.102 -1.836 -7.710 1.00 0.38 C ATOM 1056 C ARG A 72 3.254 -0.830 -7.478 1.00 0.35 C ATOM 1057 O ARG A 72 4.388 -1.223 -7.202 1.00 0.36 O ATOM 1058 CB ARG A 72 1.750 -1.920 -9.196 1.00 0.45 C ATOM 1059 CG ARG A 72 2.929 -2.142 -10.122 1.00 0.88 C ATOM 1060 CD ARG A 72 2.471 -2.288 -11.560 1.00 0.81 C ATOM 1061 NE ARG A 72 1.702 -3.523 -11.751 1.00 0.86 N ATOM 1062 CZ ARG A 72 0.446 -3.613 -12.211 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -0.278 -2.522 -12.466 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -0.094 -4.807 -12.400 1.00 1.55 N ATOM 0 H ARG A 72 0.054 -1.471 -7.528 1.00 0.32 H new ATOM 0 HA ARG A 72 2.457 -2.804 -7.356 1.00 0.38 H new ATOM 0 HB2 ARG A 72 1.037 -2.732 -9.340 1.00 0.45 H new ATOM 0 HB3 ARG A 72 1.247 -0.998 -9.487 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.622 -1.305 -10.041 1.00 0.88 H new ATOM 0 HG3 ARG A 72 3.472 -3.037 -9.817 1.00 0.88 H new ATOM 0 HD2 ARG A 72 1.860 -1.430 -11.838 1.00 0.81 H new ATOM 0 HD3 ARG A 72 3.337 -2.290 -12.222 1.00 0.81 H new ATOM 0 HE ARG A 72 2.168 -4.398 -11.510 1.00 0.86 H new ATOM 0 HH11 ARG A 72 0.122 -1.597 -12.311 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -1.232 -2.613 -12.816 1.00 1.48 H new ATOM 0 HH21 ARG A 72 0.445 -5.649 -12.196 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -1.049 -4.885 -12.750 1.00 1.55 H new ATOM 1078 N GLU A 73 2.936 0.455 -7.543 1.00 0.34 N ATOM 1079 CA GLU A 73 3.934 1.517 -7.375 1.00 0.36 C ATOM 1080 C GLU A 73 4.498 1.525 -5.966 1.00 0.32 C ATOM 1081 O GLU A 73 5.688 1.768 -5.754 1.00 0.35 O ATOM 1082 CB GLU A 73 3.319 2.872 -7.690 1.00 0.42 C ATOM 1083 CG GLU A 73 2.891 3.031 -9.126 1.00 0.60 C ATOM 1084 CD GLU A 73 4.049 2.959 -10.079 1.00 1.37 C ATOM 1085 OE1 GLU A 73 4.701 3.986 -10.325 1.00 1.78 O ATOM 1086 OE2 GLU A 73 4.342 1.868 -10.584 1.00 2.18 O ATOM 0 H GLU A 73 1.989 0.795 -7.712 1.00 0.34 H new ATOM 0 HA GLU A 73 4.750 1.320 -8.070 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.454 3.026 -7.045 1.00 0.42 H new ATOM 0 HB3 GLU A 73 4.041 3.652 -7.448 1.00 0.42 H new ATOM 0 HG2 GLU A 73 2.169 2.253 -9.376 1.00 0.60 H new ATOM 0 HG3 GLU A 73 2.383 3.988 -9.247 1.00 0.60 H new ATOM 1093 N LEU A 74 3.635 1.238 -5.012 1.00 0.31 N ATOM 1094 CA LEU A 74 4.000 1.221 -3.612 1.00 0.32 C ATOM 1095 C LEU A 74 4.962 0.044 -3.390 1.00 0.30 C ATOM 1096 O LEU A 74 6.016 0.190 -2.770 1.00 0.31 O ATOM 1097 CB LEU A 74 2.704 1.079 -2.768 1.00 0.36 C ATOM 1098 CG LEU A 74 2.733 1.530 -1.290 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.673 0.694 -0.444 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.084 3.010 -1.195 1.00 0.44 C ATOM 0 H LEU A 74 2.657 1.009 -5.188 1.00 0.31 H new ATOM 0 HA LEU A 74 4.501 2.140 -3.308 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.918 1.642 -3.271 1.00 0.36 H new ATOM 0 HB3 LEU A 74 2.408 0.030 -2.789 1.00 0.36 H new ATOM 0 HG LEU A 74 1.732 1.376 -0.886 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.654 1.054 0.585 1.00 0.44 H new ATOM 0 HD12 LEU A 74 3.356 -0.348 -0.469 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.686 0.774 -0.838 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.101 3.314 -0.148 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.065 3.180 -1.638 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.337 3.596 -1.731 1.00 0.44 H new ATOM 1112 N LEU A 75 4.588 -1.096 -3.962 1.00 0.29 N ATOM 1113 CA LEU A 75 5.365 -2.330 -3.917 1.00 0.30 C ATOM 1114 C LEU A 75 6.783 -2.096 -4.435 1.00 0.29 C ATOM 1115 O LEU A 75 7.778 -2.480 -3.790 1.00 0.30 O ATOM 1116 CB LEU A 75 4.671 -3.371 -4.800 1.00 0.33 C ATOM 1117 CG LEU A 75 5.326 -4.740 -4.906 1.00 0.37 C ATOM 1118 CD1 LEU A 75 5.291 -5.463 -3.576 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.646 -5.558 -5.985 1.00 0.45 C ATOM 0 H LEU A 75 3.716 -1.190 -4.482 1.00 0.29 H new ATOM 0 HA LEU A 75 5.428 -2.678 -2.886 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.657 -3.510 -4.425 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.586 -2.958 -5.805 1.00 0.33 H new ATOM 0 HG LEU A 75 6.372 -4.604 -5.179 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.766 -6.439 -3.680 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.826 -4.877 -2.829 1.00 0.41 H new ATOM 0 HD13 LEU A 75 4.256 -5.595 -3.261 1.00 0.41 H new ATOM 0 HD21 LEU A 75 5.121 -6.536 -6.054 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.592 -5.683 -5.737 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.735 -5.043 -6.942 1.00 0.45 H new ATOM 1131 N ASP A 76 6.861 -1.465 -5.604 1.00 0.31 N ATOM 1132 CA ASP A 76 8.135 -1.159 -6.259 1.00 0.34 C ATOM 1133 C ASP A 76 9.047 -0.307 -5.385 1.00 0.32 C ATOM 1134 O ASP A 76 10.228 -0.622 -5.234 1.00 0.34 O ATOM 1135 CB ASP A 76 7.922 -0.495 -7.627 1.00 0.45 C ATOM 1136 CG ASP A 76 9.231 -0.120 -8.311 1.00 0.78 C ATOM 1137 OD1 ASP A 76 10.111 -0.988 -8.472 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.415 1.065 -8.673 1.00 1.25 O ATOM 0 H ASP A 76 6.043 -1.150 -6.126 1.00 0.31 H new ATOM 0 HA ASP A 76 8.635 -2.114 -6.417 1.00 0.34 H new ATOM 0 HB2 ASP A 76 7.362 -1.172 -8.271 1.00 0.45 H new ATOM 0 HB3 ASP A 76 7.314 0.401 -7.500 1.00 0.45 H new ATOM 1143 N LEU A 77 8.488 0.728 -4.773 1.00 0.32 N ATOM 1144 CA LEU A 77 9.271 1.641 -3.931 1.00 0.36 C ATOM 1145 C LEU A 77 9.854 0.895 -2.719 1.00 0.34 C ATOM 1146 O LEU A 77 11.037 1.057 -2.387 1.00 0.40 O ATOM 1147 CB LEU A 77 8.386 2.857 -3.505 1.00 0.41 C ATOM 1148 CG LEU A 77 9.053 4.049 -2.742 1.00 0.53 C ATOM 1149 CD1 LEU A 77 9.402 3.717 -1.293 1.00 0.94 C ATOM 1150 CD2 LEU A 77 10.287 4.549 -3.489 1.00 1.35 C ATOM 0 H LEU A 77 7.497 0.962 -4.840 1.00 0.32 H new ATOM 0 HA LEU A 77 10.116 2.027 -4.502 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.924 3.260 -4.406 1.00 0.41 H new ATOM 0 HB3 LEU A 77 7.580 2.474 -2.878 1.00 0.41 H new ATOM 0 HG LEU A 77 8.308 4.844 -2.708 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.861 4.586 -0.821 1.00 0.94 H new ATOM 0 HD12 LEU A 77 8.494 3.448 -0.753 1.00 0.94 H new ATOM 0 HD13 LEU A 77 10.100 2.880 -1.269 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.734 5.378 -2.940 1.00 1.35 H new ATOM 0 HD22 LEU A 77 11.012 3.740 -3.577 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.998 4.887 -4.484 1.00 1.35 H new ATOM 1162 N ILE A 78 9.042 0.049 -2.105 1.00 0.30 N ATOM 1163 CA ILE A 78 9.454 -0.698 -0.916 1.00 0.32 C ATOM 1164 C ILE A 78 10.589 -1.651 -1.270 1.00 0.33 C ATOM 1165 O ILE A 78 11.707 -1.532 -0.744 1.00 0.39 O ATOM 1166 CB ILE A 78 8.263 -1.528 -0.335 1.00 0.33 C ATOM 1167 CG1 ILE A 78 7.104 -0.612 0.079 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.707 -2.391 0.854 1.00 0.38 C ATOM 1169 CD1 ILE A 78 7.457 0.396 1.149 1.00 0.42 C ATOM 0 H ILE A 78 8.087 -0.142 -2.409 1.00 0.30 H new ATOM 0 HA ILE A 78 9.786 0.021 -0.167 1.00 0.32 H new ATOM 0 HB ILE A 78 7.916 -2.193 -1.126 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.746 -0.079 -0.802 1.00 0.36 H new ATOM 0 HG13 ILE A 78 6.279 -1.229 0.436 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.854 -2.954 1.233 1.00 0.38 H new ATOM 0 HG22 ILE A 78 9.485 -3.083 0.531 1.00 0.38 H new ATOM 0 HG23 ILE A 78 9.098 -1.749 1.644 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.581 1.002 1.381 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.785 -0.127 2.047 1.00 0.42 H new ATOM 0 HD13 ILE A 78 8.259 1.041 0.791 1.00 0.42 H new ATOM 1181 N ASN A 79 10.312 -2.584 -2.165 1.00 0.33 N ATOM 1182 CA ASN A 79 11.298 -3.598 -2.525 1.00 0.38 C ATOM 1183 C ASN A 79 12.516 -3.011 -3.211 1.00 0.38 C ATOM 1184 O ASN A 79 13.602 -3.570 -3.128 1.00 0.42 O ATOM 1185 CB ASN A 79 10.692 -4.758 -3.325 1.00 0.46 C ATOM 1186 CG ASN A 79 9.675 -5.543 -2.512 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.738 -5.578 -1.281 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.777 -6.214 -3.172 1.00 0.82 N ATOM 0 H ASN A 79 9.421 -2.664 -2.654 1.00 0.33 H new ATOM 0 HA ASN A 79 11.645 -4.020 -1.582 1.00 0.38 H new ATOM 0 HB2 ASN A 79 10.214 -4.368 -4.223 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.488 -5.427 -3.653 1.00 0.46 H new ATOM 0 HD21 ASN A 79 8.100 -6.789 -2.671 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.750 -6.165 -4.190 1.00 0.82 H new ATOM 1195 N GLY A 80 12.344 -1.859 -3.848 1.00 0.38 N ATOM 1196 CA GLY A 80 13.454 -1.180 -4.483 1.00 0.46 C ATOM 1197 C GLY A 80 14.480 -0.740 -3.459 1.00 0.50 C ATOM 1198 O GLY A 80 15.684 -0.967 -3.630 1.00 0.62 O ATOM 0 H GLY A 80 11.447 -1.381 -3.935 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.922 -1.843 -5.210 1.00 0.46 H new ATOM 0 HA3 GLY A 80 13.088 -0.312 -5.032 1.00 0.46 H new ATOM 1202 N ALA A 81 14.002 -0.175 -2.361 1.00 0.47 N ATOM 1203 CA ALA A 81 14.876 0.279 -1.294 1.00 0.57 C ATOM 1204 C ALA A 81 15.477 -0.915 -0.555 1.00 0.62 C ATOM 1205 O ALA A 81 16.662 -0.909 -0.205 1.00 0.80 O ATOM 1206 CB ALA A 81 14.116 1.181 -0.334 1.00 0.59 C ATOM 0 H ALA A 81 13.009 -0.020 -2.187 1.00 0.47 H new ATOM 0 HA ALA A 81 15.691 0.856 -1.732 1.00 0.57 H new ATOM 0 HB1 ALA A 81 14.785 1.513 0.460 1.00 0.59 H new ATOM 0 HB2 ALA A 81 13.735 2.048 -0.874 1.00 0.59 H new ATOM 0 HB3 ALA A 81 13.282 0.629 0.101 1.00 0.59 H new ATOM 1212 N LEU A 82 14.666 -1.948 -0.360 1.00 0.54 N ATOM 1213 CA LEU A 82 15.105 -3.168 0.319 1.00 0.61 C ATOM 1214 C LEU A 82 16.210 -3.873 -0.452 1.00 0.74 C ATOM 1215 O LEU A 82 17.268 -4.173 0.103 1.00 0.89 O ATOM 1216 CB LEU A 82 13.932 -4.124 0.541 1.00 0.54 C ATOM 1217 CG LEU A 82 12.868 -3.666 1.532 1.00 0.58 C ATOM 1218 CD1 LEU A 82 11.727 -4.670 1.582 1.00 0.63 C ATOM 1219 CD2 LEU A 82 13.484 -3.500 2.912 1.00 0.68 C ATOM 0 H LEU A 82 13.693 -1.967 -0.664 1.00 0.54 H new ATOM 0 HA LEU A 82 15.504 -2.869 1.288 1.00 0.61 H new ATOM 0 HB2 LEU A 82 13.450 -4.304 -0.420 1.00 0.54 H new ATOM 0 HB3 LEU A 82 14.329 -5.080 0.882 1.00 0.54 H new ATOM 0 HG LEU A 82 12.470 -2.706 1.204 1.00 0.58 H new ATOM 0 HD11 LEU A 82 10.974 -4.330 2.294 1.00 0.63 H new ATOM 0 HD12 LEU A 82 11.277 -4.759 0.593 1.00 0.63 H new ATOM 0 HD13 LEU A 82 12.110 -5.641 1.895 1.00 0.63 H new ATOM 0 HD21 LEU A 82 12.718 -3.173 3.615 1.00 0.68 H new ATOM 0 HD22 LEU A 82 13.897 -4.453 3.243 1.00 0.68 H new ATOM 0 HD23 LEU A 82 14.279 -2.755 2.868 1.00 0.68 H new ATOM 1231 N ALA A 83 15.976 -4.103 -1.742 1.00 0.83 N ATOM 1232 CA ALA A 83 16.945 -4.786 -2.594 1.00 1.07 C ATOM 1233 C ALA A 83 18.239 -3.989 -2.701 1.00 1.28 C ATOM 1234 O ALA A 83 19.320 -4.562 -2.866 1.00 1.46 O ATOM 1235 CB ALA A 83 16.362 -5.050 -3.972 1.00 1.27 C ATOM 0 H ALA A 83 15.120 -3.825 -2.221 1.00 0.83 H new ATOM 0 HA ALA A 83 17.178 -5.745 -2.132 1.00 1.07 H new ATOM 0 HB1 ALA A 83 17.102 -5.560 -4.589 1.00 1.27 H new ATOM 0 HB2 ALA A 83 15.475 -5.676 -3.878 1.00 1.27 H new ATOM 0 HB3 ALA A 83 16.090 -4.104 -4.439 1.00 1.27 H new ATOM 1241 N GLU A 84 18.120 -2.681 -2.594 1.00 1.34 N ATOM 1242 CA GLU A 84 19.260 -1.795 -2.628 1.00 1.64 C ATOM 1243 C GLU A 84 20.088 -1.962 -1.355 1.00 1.75 C ATOM 1244 O GLU A 84 21.286 -2.275 -1.431 1.00 2.12 O ATOM 1245 CB GLU A 84 18.786 -0.356 -2.767 1.00 1.67 C ATOM 1246 CG GLU A 84 19.893 0.669 -2.810 1.00 1.99 C ATOM 1247 CD GLU A 84 19.350 2.054 -2.913 1.00 2.14 C ATOM 1248 OE1 GLU A 84 19.047 2.499 -4.037 1.00 2.25 O ATOM 1249 OE2 GLU A 84 19.203 2.734 -1.870 1.00 2.82 O ATOM 0 H GLU A 84 17.226 -2.204 -2.481 1.00 1.34 H new ATOM 0 HA GLU A 84 19.886 -2.045 -3.485 1.00 1.64 H new ATOM 0 HB2 GLU A 84 18.193 -0.269 -3.677 1.00 1.67 H new ATOM 0 HB3 GLU A 84 18.125 -0.123 -1.932 1.00 1.67 H new ATOM 0 HG2 GLU A 84 20.505 0.583 -1.912 1.00 1.99 H new ATOM 0 HG3 GLU A 84 20.544 0.468 -3.661 1.00 1.99 H new ATOM 1256 N ALA A 85 19.424 -1.767 -0.201 1.00 1.60 N ATOM 1257 CA ALA A 85 20.025 -1.871 1.129 1.00 1.87 C ATOM 1258 C ALA A 85 21.210 -0.928 1.299 1.00 2.41 C ATOM 1259 O ALA A 85 22.364 -1.290 1.035 1.00 2.97 O ATOM 1260 CB ALA A 85 20.395 -3.310 1.484 1.00 2.27 C ATOM 0 H ALA A 85 18.433 -1.528 -0.173 1.00 1.60 H new ATOM 0 HA ALA A 85 19.260 -1.554 1.838 1.00 1.87 H new ATOM 0 HB1 ALA A 85 20.837 -3.337 2.480 1.00 2.27 H new ATOM 0 HB2 ALA A 85 19.499 -3.931 1.468 1.00 2.27 H new ATOM 0 HB3 ALA A 85 21.113 -3.691 0.758 1.00 2.27 H new ATOM 1266 N ALA A 86 20.913 0.283 1.697 1.00 2.92 N ATOM 1267 CA ALA A 86 21.902 1.305 1.899 1.00 3.83 C ATOM 1268 C ALA A 86 21.312 2.378 2.781 1.00 4.59 C ATOM 1269 O ALA A 86 21.503 2.311 4.008 1.00 5.16 O ATOM 1270 CB ALA A 86 22.364 1.891 0.569 1.00 4.34 C ATOM 1271 OXT ALA A 86 20.600 3.263 2.260 1.00 4.98 O ATOM 0 H ALA A 86 19.960 0.589 1.892 1.00 2.92 H new ATOM 0 HA ALA A 86 22.778 0.872 2.382 1.00 3.83 H new ATOM 0 HB1 ALA A 86 23.112 2.662 0.752 1.00 4.34 H new ATOM 0 HB2 ALA A 86 22.798 1.102 -0.045 1.00 4.34 H new ATOM 0 HB3 ALA A 86 21.512 2.328 0.049 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -5.811 13.191 2.339 1.00 1.09 P HETATM 1279 O26 SXH A 87 -6.217 13.824 0.969 1.00 1.22 O HETATM 1280 O23 SXH A 87 -6.637 13.585 3.606 1.00 1.42 O HETATM 1281 O27 SXH A 87 -4.308 13.515 2.614 1.00 1.10 O HETATM 1282 C28 SXH A 87 -3.661 12.925 3.814 1.00 1.13 C HETATM 1283 C29 SXH A 87 -2.259 13.535 4.076 1.00 1.27 C HETATM 1284 C30 SXH A 87 -1.586 12.624 5.082 1.00 1.36 C HETATM 1285 C31 SXH A 87 -1.429 13.556 2.783 1.00 1.28 C HETATM 1286 C32 SXH A 87 -2.416 15.026 4.664 1.00 1.57 C HETATM 1287 O33 SXH A 87 -3.323 15.795 3.886 1.00 1.62 O HETATM 1288 C34 SXH A 87 -1.121 15.806 4.674 1.00 1.82 C HETATM 1289 O35 SXH A 87 -1.009 16.781 3.921 1.00 2.00 O HETATM 1290 N36 SXH A 87 -0.186 15.424 5.490 1.00 1.99 N HETATM 1291 C37 SXH A 87 1.115 16.096 5.610 1.00 2.29 C HETATM 1292 C38 SXH A 87 2.267 15.197 5.183 1.00 2.49 C HETATM 1293 C39 SXH A 87 2.570 14.071 6.160 1.00 2.41 C HETATM 1294 O40 SXH A 87 2.338 14.163 7.383 1.00 2.91 O HETATM 1295 N41 SXH A 87 3.102 13.015 5.602 1.00 2.12 N HETATM 1296 C42 SXH A 87 3.490 11.807 6.308 1.00 2.36 C HETATM 1297 C43 SXH A 87 2.862 10.598 5.668 1.00 2.13 C HETATM 1298 S1 SXH A 87 3.043 10.714 3.950 1.00 1.95 S HETATM 1299 C1 SXH A 87 2.370 9.167 3.534 1.00 1.93 C HETATM 1300 O1 SXH A 87 2.345 8.190 4.294 1.00 2.69 O HETATM 1301 C2 SXH A 87 1.766 9.092 2.151 1.00 1.85 C HETATM 1302 C3 SXH A 87 0.562 10.009 1.977 1.00 2.13 C HETATM 1303 C4 SXH A 87 -0.028 9.883 0.582 1.00 2.00 C HETATM 1304 C5 SXH A 87 -1.241 10.779 0.407 1.00 2.32 C HETATM 1305 C6 SXH A 87 -1.780 10.638 -0.997 1.00 2.32 C HETATM 0 HO33 SXH A 87 -3.792 15.209 3.256 1.00 1.62 H new HETATM 0 HN41 SXH A 87 3.256 13.042 4.594 1.00 2.12 H new HETATM 0 HN36 SXH A 87 -0.365 14.612 6.081 1.00 1.99 H new HETATM 0 H43A SXH A 87 3.336 9.688 6.036 1.00 2.13 H new HETATM 0 H42A SXH A 87 4.575 11.707 6.301 1.00 2.36 H new HETATM 0 H38A SXH A 87 2.036 14.766 4.209 1.00 2.49 H new HETATM 0 H37A SXH A 87 1.114 16.998 4.998 1.00 2.29 H new HETATM 0 H31B SXH A 87 -1.308 12.538 2.412 1.00 1.28 H new HETATM 0 H31A SXH A 87 -1.941 14.157 2.032 1.00 1.28 H new HETATM 0 H30B SXH A 87 -2.178 12.592 5.997 1.00 1.36 H new HETATM 0 H30A SXH A 87 -1.506 11.619 4.667 1.00 1.36 H new HETATM 0 H28A SXH A 87 -4.296 13.087 4.685 1.00 1.13 H new HETATM 0 H6B SXH A 87 -1.011 10.928 -1.713 1.00 2.32 H new HETATM 0 H6A SXH A 87 -2.068 9.602 -1.174 1.00 2.32 H new HETATM 0 H6 SXH A 87 -2.651 11.282 -1.119 1.00 2.32 H new HETATM 0 H5A SXH A 87 -2.011 10.511 1.131 1.00 2.32 H new HETATM 0 H5 SXH A 87 -0.969 11.817 0.600 1.00 2.32 H new HETATM 0 H4A SXH A 87 0.728 10.144 -0.159 1.00 2.00 H new HETATM 0 H43 SXH A 87 1.806 10.537 5.932 1.00 2.13 H new HETATM 0 H42 SXH A 87 3.183 11.874 7.352 1.00 2.36 H new HETATM 0 H4 SXH A 87 -0.311 8.847 0.398 1.00 2.00 H new HETATM 0 H3A SXH A 87 -0.197 9.762 2.719 1.00 2.13 H new HETATM 0 H38 SXH A 87 3.162 15.806 5.058 1.00 2.49 H new HETATM 0 H37 SXH A 87 1.266 16.411 6.642 1.00 2.29 H new HETATM 0 H32 SXH A 87 -2.771 14.878 5.684 1.00 1.57 H new HETATM 0 H31 SXH A 87 -0.449 13.987 2.987 1.00 1.28 H new HETATM 0 H30 SXH A 87 -0.590 13.004 5.307 1.00 1.36 H new HETATM 0 H3 SXH A 87 0.859 11.042 2.157 1.00 2.13 H new HETATM 0 H2A SXH A 87 2.525 9.354 1.414 1.00 1.85 H new HETATM 0 H28 SXH A 87 -3.569 11.847 3.683 1.00 1.13 H new HETATM 0 H2 SXH A 87 1.466 8.064 1.947 1.00 1.85 H new