USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 hydrogens (23 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 90:sc= 1.3 USER MOD Set 1.2: A 48 THR OG1 : rot -170:sc=-0.00811 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.205 (180deg=-0.877) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -54:sc= 0.55 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -150:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 11:sc= -1.46! USER MOD Single : A 46 MET CE :methyl -106:sc= -1.36 (180deg=-1.95) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -1:sc= 1.22 USER MOD Single : A 79 ASN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Single : A 87 SXA O33 : rot -121:sc= 0.294 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.501 -7.071 -0.875 1.00 4.19 N ATOM 2 CA MET A 1 20.131 -5.798 -1.479 1.00 3.33 C ATOM 3 C MET A 1 18.630 -5.699 -1.588 1.00 2.81 C ATOM 4 O MET A 1 18.009 -6.465 -2.336 1.00 3.10 O ATOM 5 CB MET A 1 20.735 -5.674 -2.883 1.00 3.38 C ATOM 6 CG MET A 1 20.374 -4.380 -3.593 1.00 4.12 C ATOM 7 SD MET A 1 20.903 -4.353 -5.315 1.00 4.79 S ATOM 8 CE MET A 1 19.932 -5.705 -5.984 1.00 5.54 C ATOM 0 H1 MET A 1 21.537 -7.133 -0.803 1.00 4.19 H new ATOM 0 H2 MET A 1 20.083 -7.139 0.075 1.00 4.19 H new ATOM 0 H3 MET A 1 20.148 -7.851 -1.465 1.00 4.19 H new ATOM 0 HA MET A 1 20.514 -4.996 -0.847 1.00 3.33 H new ATOM 0 HB2 MET A 1 21.820 -5.747 -2.809 1.00 3.38 H new ATOM 0 HB3 MET A 1 20.399 -6.516 -3.489 1.00 3.38 H new ATOM 0 HG2 MET A 1 19.295 -4.236 -3.548 1.00 4.12 H new ATOM 0 HG3 MET A 1 20.830 -3.543 -3.065 1.00 4.12 H new ATOM 0 HE1 MET A 1 19.818 -5.574 -7.060 1.00 5.54 H new ATOM 0 HE2 MET A 1 20.438 -6.650 -5.785 1.00 5.54 H new ATOM 0 HE3 MET A 1 18.949 -5.714 -5.514 1.00 5.54 H new ATOM 20 N ALA A 2 18.061 -4.782 -0.809 1.00 2.62 N ATOM 21 CA ALA A 2 16.635 -4.447 -0.803 1.00 2.47 C ATOM 22 C ALA A 2 15.759 -5.502 -0.156 1.00 1.86 C ATOM 23 O ALA A 2 16.044 -6.704 -0.192 1.00 1.91 O ATOM 24 CB ALA A 2 16.114 -4.119 -2.205 1.00 3.03 C ATOM 0 H ALA A 2 18.598 -4.231 -0.140 1.00 2.62 H new ATOM 0 HA ALA A 2 16.565 -3.553 -0.183 1.00 2.47 H new ATOM 0 HB1 ALA A 2 15.053 -3.877 -2.151 1.00 3.03 H new ATOM 0 HB2 ALA A 2 16.661 -3.266 -2.606 1.00 3.03 H new ATOM 0 HB3 ALA A 2 16.257 -4.981 -2.857 1.00 3.03 H new ATOM 30 N THR A 3 14.719 -5.037 0.454 1.00 1.56 N ATOM 31 CA THR A 3 13.690 -5.872 0.972 1.00 1.14 C ATOM 32 C THR A 3 12.487 -5.625 0.091 1.00 0.93 C ATOM 33 O THR A 3 11.891 -4.565 0.133 1.00 1.17 O ATOM 34 CB THR A 3 13.379 -5.448 2.426 1.00 1.54 C ATOM 35 OG1 THR A 3 14.567 -5.606 3.214 1.00 1.88 O ATOM 36 CG2 THR A 3 12.251 -6.288 3.029 1.00 1.93 C ATOM 0 H THR A 3 14.559 -4.042 0.609 1.00 1.56 H new ATOM 0 HA THR A 3 13.971 -6.925 0.979 1.00 1.14 H new ATOM 0 HB THR A 3 13.053 -4.408 2.423 1.00 1.54 H new ATOM 0 HG1 THR A 3 14.384 -5.339 4.139 1.00 1.88 H new ATOM 0 HG21 THR A 3 12.061 -5.961 4.051 1.00 1.93 H new ATOM 0 HG22 THR A 3 11.346 -6.163 2.434 1.00 1.93 H new ATOM 0 HG23 THR A 3 12.541 -7.339 3.032 1.00 1.93 H new ATOM 44 N LEU A 4 12.179 -6.550 -0.752 1.00 0.66 N ATOM 45 CA LEU A 4 11.101 -6.356 -1.669 1.00 0.56 C ATOM 46 C LEU A 4 9.830 -6.901 -1.099 1.00 0.50 C ATOM 47 O LEU A 4 9.678 -8.125 -0.911 1.00 0.76 O ATOM 48 CB LEU A 4 11.414 -6.974 -3.023 1.00 0.65 C ATOM 49 CG LEU A 4 12.661 -6.430 -3.726 1.00 0.79 C ATOM 50 CD1 LEU A 4 12.876 -7.146 -5.034 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.547 -4.927 -3.955 1.00 0.86 C ATOM 0 H LEU A 4 12.656 -7.449 -0.828 1.00 0.66 H new ATOM 0 HA LEU A 4 10.970 -5.285 -1.826 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.532 -8.050 -2.893 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.555 -6.825 -3.678 1.00 0.65 H new ATOM 0 HG LEU A 4 13.521 -6.609 -3.081 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.766 -6.750 -5.524 1.00 0.96 H new ATOM 0 HD12 LEU A 4 13.008 -8.212 -4.848 1.00 0.96 H new ATOM 0 HD13 LEU A 4 12.010 -6.995 -5.678 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.445 -4.566 -4.456 1.00 0.86 H new ATOM 0 HD22 LEU A 4 11.676 -4.719 -4.577 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.437 -4.420 -2.996 1.00 0.86 H new ATOM 63 N LEU A 5 8.945 -6.001 -0.766 1.00 0.36 N ATOM 64 CA LEU A 5 7.670 -6.363 -0.224 1.00 0.36 C ATOM 65 C LEU A 5 6.837 -7.030 -1.281 1.00 0.39 C ATOM 66 O LEU A 5 6.855 -6.623 -2.446 1.00 0.52 O ATOM 67 CB LEU A 5 6.938 -5.150 0.340 1.00 0.42 C ATOM 68 CG LEU A 5 7.666 -4.365 1.430 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.733 -3.344 2.046 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.231 -5.292 2.493 1.00 0.54 C ATOM 0 H LEU A 5 9.091 -4.996 -0.864 1.00 0.36 H new ATOM 0 HA LEU A 5 7.836 -7.060 0.598 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.719 -4.470 -0.483 1.00 0.42 H new ATOM 0 HB3 LEU A 5 5.981 -5.484 0.741 1.00 0.42 H new ATOM 0 HG LEU A 5 8.505 -3.842 0.972 1.00 0.51 H new ATOM 0 HD11 LEU A 5 7.261 -2.790 2.822 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.390 -2.653 1.276 1.00 0.61 H new ATOM 0 HD13 LEU A 5 5.875 -3.853 2.485 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.743 -4.703 3.254 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.419 -5.854 2.954 1.00 0.54 H new ATOM 0 HD23 LEU A 5 8.937 -5.984 2.034 1.00 0.54 H new ATOM 82 N THR A 6 6.142 -8.032 -0.883 1.00 0.36 N ATOM 83 CA THR A 6 5.335 -8.797 -1.758 1.00 0.41 C ATOM 84 C THR A 6 3.865 -8.438 -1.568 1.00 0.30 C ATOM 85 O THR A 6 3.542 -7.494 -0.814 1.00 0.24 O ATOM 86 CB THR A 6 5.574 -10.314 -1.537 1.00 0.56 C ATOM 87 OG1 THR A 6 5.398 -10.647 -0.139 1.00 0.59 O ATOM 88 CG2 THR A 6 6.980 -10.711 -1.974 1.00 0.79 C ATOM 0 H THR A 6 6.119 -8.350 0.086 1.00 0.36 H new ATOM 0 HA THR A 6 5.613 -8.563 -2.786 1.00 0.41 H new ATOM 0 HB THR A 6 4.849 -10.861 -2.139 1.00 0.56 H new ATOM 0 HG1 THR A 6 5.975 -10.075 0.409 1.00 0.59 H new ATOM 0 HG21 THR A 6 7.124 -11.779 -1.810 1.00 0.79 H new ATOM 0 HG22 THR A 6 7.109 -10.486 -3.033 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.713 -10.152 -1.392 1.00 0.79 H new ATOM 96 N THR A 7 2.994 -9.182 -2.218 1.00 0.33 N ATOM 97 CA THR A 7 1.565 -8.997 -2.137 1.00 0.32 C ATOM 98 C THR A 7 1.093 -9.028 -0.666 1.00 0.24 C ATOM 99 O THR A 7 0.432 -8.104 -0.206 1.00 0.26 O ATOM 100 CB THR A 7 0.883 -10.113 -2.935 1.00 0.44 C ATOM 101 OG1 THR A 7 1.484 -10.195 -4.240 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.589 -9.833 -3.095 1.00 0.55 C ATOM 0 H THR A 7 3.269 -9.949 -2.831 1.00 0.33 H new ATOM 0 HA THR A 7 1.299 -8.025 -2.553 1.00 0.32 H new ATOM 0 HB THR A 7 1.008 -11.052 -2.396 1.00 0.44 H new ATOM 0 HG1 THR A 7 1.053 -10.909 -4.755 1.00 0.55 H new ATOM 0 HG21 THR A 7 -1.053 -10.638 -3.665 1.00 0.55 H new ATOM 0 HG22 THR A 7 -1.056 -9.768 -2.112 1.00 0.55 H new ATOM 0 HG23 THR A 7 -0.725 -8.890 -3.624 1.00 0.55 H new ATOM 110 N ASP A 8 1.469 -10.082 0.059 1.00 0.28 N ATOM 111 CA ASP A 8 1.054 -10.278 1.468 1.00 0.31 C ATOM 112 C ASP A 8 1.528 -9.144 2.397 1.00 0.24 C ATOM 113 O ASP A 8 0.832 -8.795 3.358 1.00 0.28 O ATOM 114 CB ASP A 8 1.513 -11.640 1.995 1.00 0.46 C ATOM 115 CG ASP A 8 1.081 -11.911 3.427 1.00 0.94 C ATOM 116 OD1 ASP A 8 -0.092 -12.316 3.655 1.00 1.01 O ATOM 117 OD2 ASP A 8 1.907 -11.767 4.349 1.00 1.61 O ATOM 0 H ASP A 8 2.066 -10.826 -0.302 1.00 0.28 H new ATOM 0 HA ASP A 8 -0.036 -10.252 1.472 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.116 -12.423 1.349 1.00 0.46 H new ATOM 0 HB3 ASP A 8 2.600 -11.697 1.934 1.00 0.46 H new ATOM 122 N ASP A 9 2.669 -8.532 2.076 1.00 0.24 N ATOM 123 CA ASP A 9 3.194 -7.401 2.878 1.00 0.28 C ATOM 124 C ASP A 9 2.240 -6.244 2.765 1.00 0.24 C ATOM 125 O ASP A 9 1.831 -5.641 3.765 1.00 0.30 O ATOM 126 CB ASP A 9 4.585 -6.929 2.391 1.00 0.38 C ATOM 127 CG ASP A 9 5.695 -7.932 2.614 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.319 -7.915 3.685 1.00 1.12 O ATOM 129 OD2 ASP A 9 5.985 -8.750 1.688 1.00 1.78 O ATOM 0 H ASP A 9 3.249 -8.789 1.277 1.00 0.24 H new ATOM 0 HA ASP A 9 3.293 -7.745 3.907 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.526 -6.700 1.327 1.00 0.38 H new ATOM 0 HB3 ASP A 9 4.841 -6.001 2.903 1.00 0.38 H new ATOM 134 N LEU A 10 1.848 -5.970 1.535 1.00 0.19 N ATOM 135 CA LEU A 10 0.919 -4.908 1.243 1.00 0.23 C ATOM 136 C LEU A 10 -0.456 -5.268 1.801 1.00 0.24 C ATOM 137 O LEU A 10 -1.123 -4.438 2.385 1.00 0.30 O ATOM 138 CB LEU A 10 0.852 -4.669 -0.266 1.00 0.27 C ATOM 139 CG LEU A 10 0.012 -3.482 -0.727 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.581 -2.175 -0.188 1.00 0.47 C ATOM 141 CD2 LEU A 10 -0.060 -3.450 -2.233 1.00 0.47 C ATOM 0 H LEU A 10 2.168 -6.481 0.713 1.00 0.19 H new ATOM 0 HA LEU A 10 1.257 -3.986 1.716 1.00 0.23 H new ATOM 0 HB2 LEU A 10 1.868 -4.533 -0.636 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.459 -5.570 -0.738 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.997 -3.598 -0.332 1.00 0.38 H new ATOM 0 HD11 LEU A 10 -0.034 -1.342 -0.529 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.584 -2.201 0.902 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.601 -2.045 -0.550 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.662 -2.599 -2.550 1.00 0.47 H new ATOM 0 HD22 LEU A 10 0.945 -3.357 -2.643 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.516 -4.372 -2.595 1.00 0.47 H new ATOM 153 N ARG A 11 -0.840 -6.525 1.626 1.00 0.24 N ATOM 154 CA ARG A 11 -2.089 -7.086 2.151 1.00 0.30 C ATOM 155 C ARG A 11 -2.238 -6.758 3.634 1.00 0.33 C ATOM 156 O ARG A 11 -3.200 -6.125 4.047 1.00 0.38 O ATOM 157 CB ARG A 11 -2.071 -8.602 1.951 1.00 0.36 C ATOM 158 CG ARG A 11 -3.229 -9.352 2.563 1.00 0.51 C ATOM 159 CD ARG A 11 -3.018 -10.843 2.420 1.00 0.73 C ATOM 160 NE ARG A 11 -4.073 -11.612 3.073 1.00 0.97 N ATOM 161 CZ ARG A 11 -3.866 -12.719 3.799 1.00 1.30 C ATOM 162 NH1 ARG A 11 -2.633 -13.151 4.054 1.00 1.81 N ATOM 163 NH2 ARG A 11 -4.894 -13.381 4.304 1.00 1.98 N ATOM 0 H ARG A 11 -0.284 -7.202 1.104 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.934 -6.651 1.618 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.051 -8.810 0.881 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -1.144 -8.995 2.369 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.325 -9.090 3.617 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -4.159 -9.060 2.076 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -2.982 -11.104 1.362 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -2.053 -11.115 2.849 1.00 0.73 H new ATOM 0 HE ARG A 11 -5.033 -11.284 2.970 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -1.828 -12.637 3.695 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -2.493 -13.996 4.608 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -5.844 -13.049 4.141 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -4.736 -14.224 4.857 1.00 1.98 H new ATOM 177 N ARG A 12 -1.265 -7.185 4.413 1.00 0.33 N ATOM 178 CA ARG A 12 -1.223 -6.926 5.842 1.00 0.39 C ATOM 179 C ARG A 12 -1.221 -5.446 6.167 1.00 0.39 C ATOM 180 O ARG A 12 -1.851 -5.025 7.139 1.00 0.48 O ATOM 181 CB ARG A 12 -0.062 -7.653 6.467 1.00 0.49 C ATOM 182 CG ARG A 12 -0.353 -9.120 6.675 1.00 0.77 C ATOM 183 CD ARG A 12 0.889 -9.953 6.579 1.00 0.90 C ATOM 184 NE ARG A 12 1.997 -9.454 7.385 1.00 1.28 N ATOM 185 CZ ARG A 12 3.268 -9.760 7.139 1.00 1.77 C ATOM 186 NH1 ARG A 12 3.565 -10.556 6.112 1.00 2.08 N ATOM 187 NH2 ARG A 12 4.240 -9.260 7.907 1.00 2.59 N ATOM 0 H ARG A 12 -0.472 -7.727 4.070 1.00 0.33 H new ATOM 0 HA ARG A 12 -2.142 -7.316 6.280 1.00 0.39 H new ATOM 0 HB2 ARG A 12 0.817 -7.545 5.831 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.179 -7.193 7.425 1.00 0.49 H new ATOM 0 HG2 ARG A 12 -0.813 -9.264 7.653 1.00 0.77 H new ATOM 0 HG3 ARG A 12 -1.075 -9.456 5.931 1.00 0.77 H new ATOM 0 HD2 ARG A 12 0.657 -10.972 6.889 1.00 0.90 H new ATOM 0 HD3 ARG A 12 1.203 -10.001 5.536 1.00 0.90 H new ATOM 0 HE ARG A 12 1.788 -8.842 8.174 1.00 1.28 H new ATOM 0 HH11 ARG A 12 2.820 -10.926 5.521 1.00 2.08 H new ATOM 0 HH12 ARG A 12 4.537 -10.795 5.917 1.00 2.08 H new ATOM 0 HH21 ARG A 12 4.009 -8.642 8.685 1.00 2.59 H new ATOM 0 HH22 ARG A 12 5.214 -9.497 7.716 1.00 2.59 H new ATOM 201 N ALA A 13 -0.541 -4.656 5.342 1.00 0.35 N ATOM 202 CA ALA A 13 -0.525 -3.212 5.516 1.00 0.41 C ATOM 203 C ALA A 13 -1.933 -2.653 5.337 1.00 0.42 C ATOM 204 O ALA A 13 -2.376 -1.811 6.113 1.00 0.50 O ATOM 205 CB ALA A 13 0.451 -2.555 4.550 1.00 0.48 C ATOM 0 H ALA A 13 0.004 -4.993 4.549 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.185 -2.986 6.527 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.442 -1.476 4.702 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.455 -2.939 4.730 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.155 -2.779 3.525 1.00 0.48 H new ATOM 211 N LEU A 14 -2.645 -3.163 4.346 1.00 0.41 N ATOM 212 CA LEU A 14 -4.024 -2.774 4.107 1.00 0.49 C ATOM 213 C LEU A 14 -4.951 -3.227 5.227 1.00 0.55 C ATOM 214 O LEU A 14 -5.945 -2.576 5.498 1.00 0.72 O ATOM 215 CB LEU A 14 -4.552 -3.238 2.735 1.00 0.51 C ATOM 216 CG LEU A 14 -4.300 -2.301 1.533 1.00 0.52 C ATOM 217 CD1 LEU A 14 -2.834 -2.057 1.289 1.00 0.93 C ATOM 218 CD2 LEU A 14 -4.948 -2.857 0.289 1.00 0.92 C ATOM 0 H LEU A 14 -2.286 -3.855 3.688 1.00 0.41 H new ATOM 0 HA LEU A 14 -4.022 -1.684 4.094 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -4.104 -4.206 2.510 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.627 -3.396 2.822 1.00 0.51 H new ATOM 0 HG LEU A 14 -4.750 -1.339 1.779 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -2.713 -1.392 0.434 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -2.390 -1.597 2.172 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -2.336 -3.005 1.085 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -4.762 -2.186 -0.549 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.529 -3.839 0.068 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -6.022 -2.949 0.448 1.00 0.92 H new ATOM 230 N VAL A 15 -4.626 -4.325 5.869 1.00 0.51 N ATOM 231 CA VAL A 15 -5.403 -4.788 7.015 1.00 0.60 C ATOM 232 C VAL A 15 -5.250 -3.784 8.163 1.00 0.58 C ATOM 233 O VAL A 15 -6.227 -3.169 8.605 1.00 0.66 O ATOM 234 CB VAL A 15 -4.936 -6.198 7.501 1.00 0.69 C ATOM 235 CG1 VAL A 15 -5.739 -6.647 8.721 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.075 -7.228 6.391 1.00 0.76 C ATOM 0 H VAL A 15 -3.833 -4.918 5.625 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.446 -4.866 6.707 1.00 0.60 H new ATOM 0 HB VAL A 15 -3.885 -6.119 7.779 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -5.396 -7.631 9.041 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -5.599 -5.933 9.532 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -6.796 -6.698 8.462 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -4.744 -8.201 6.754 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.118 -7.292 6.082 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.463 -6.931 5.540 1.00 0.76 H new ATOM 246 N GLU A 16 -4.015 -3.597 8.604 1.00 0.55 N ATOM 247 CA GLU A 16 -3.719 -2.752 9.753 1.00 0.63 C ATOM 248 C GLU A 16 -4.076 -1.266 9.532 1.00 0.58 C ATOM 249 O GLU A 16 -4.432 -0.571 10.484 1.00 0.67 O ATOM 250 CB GLU A 16 -2.262 -2.909 10.192 1.00 0.82 C ATOM 251 CG GLU A 16 -1.239 -2.493 9.157 1.00 1.16 C ATOM 252 CD GLU A 16 0.161 -2.589 9.673 1.00 1.67 C ATOM 253 OE1 GLU A 16 0.540 -1.798 10.559 1.00 1.83 O ATOM 254 OE2 GLU A 16 0.917 -3.467 9.202 1.00 2.43 O ATOM 0 H GLU A 16 -3.193 -4.024 8.178 1.00 0.55 H new ATOM 0 HA GLU A 16 -4.366 -3.101 10.558 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -2.104 -2.320 11.096 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -2.087 -3.952 10.456 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -1.342 -3.123 8.274 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -1.439 -1.468 8.843 1.00 1.16 H new ATOM 261 N SER A 17 -4.008 -0.792 8.290 1.00 0.52 N ATOM 262 CA SER A 17 -4.322 0.607 8.009 1.00 0.62 C ATOM 263 C SER A 17 -5.839 0.834 7.984 1.00 0.70 C ATOM 264 O SER A 17 -6.322 1.910 8.347 1.00 0.94 O ATOM 265 CB SER A 17 -3.695 1.052 6.685 1.00 0.67 C ATOM 266 OG SER A 17 -2.293 0.800 6.666 1.00 1.26 O ATOM 0 H SER A 17 -3.743 -1.345 7.475 1.00 0.52 H new ATOM 0 HA SER A 17 -3.898 1.211 8.811 1.00 0.62 H new ATOM 0 HB2 SER A 17 -4.173 0.525 5.859 1.00 0.67 H new ATOM 0 HB3 SER A 17 -3.878 2.116 6.533 1.00 0.67 H new ATOM 0 HG SER A 17 -2.126 -0.095 6.303 1.00 1.26 H new ATOM 272 N ALA A 18 -6.590 -0.185 7.566 1.00 0.61 N ATOM 273 CA ALA A 18 -8.044 -0.100 7.545 1.00 0.79 C ATOM 274 C ALA A 18 -8.594 -0.245 8.953 1.00 0.97 C ATOM 275 O ALA A 18 -9.696 0.222 9.265 1.00 1.23 O ATOM 276 CB ALA A 18 -8.638 -1.163 6.631 1.00 0.82 C ATOM 0 H ALA A 18 -6.214 -1.075 7.239 1.00 0.61 H new ATOM 0 HA ALA A 18 -8.326 0.877 7.153 1.00 0.79 H new ATOM 0 HB1 ALA A 18 -9.725 -1.078 6.633 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -8.265 -1.021 5.617 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -8.351 -2.152 6.988 1.00 0.82 H new ATOM 282 N GLY A 19 -7.837 -0.913 9.785 1.00 1.02 N ATOM 283 CA GLY A 19 -8.218 -1.111 11.146 1.00 1.29 C ATOM 284 C GLY A 19 -8.904 -2.436 11.326 1.00 1.50 C ATOM 285 O GLY A 19 -8.275 -3.426 11.722 1.00 2.02 O ATOM 0 H GLY A 19 -6.942 -1.332 9.532 1.00 1.02 H new ATOM 0 HA2 GLY A 19 -7.336 -1.064 11.785 1.00 1.29 H new ATOM 0 HA3 GLY A 19 -8.883 -0.307 11.462 1.00 1.29 H new ATOM 289 N GLU A 20 -10.167 -2.477 11.001 1.00 1.87 N ATOM 290 CA GLU A 20 -10.935 -3.680 11.148 1.00 2.49 C ATOM 291 C GLU A 20 -11.105 -4.391 9.830 1.00 2.35 C ATOM 292 O GLU A 20 -10.921 -3.805 8.749 1.00 2.86 O ATOM 293 CB GLU A 20 -12.291 -3.415 11.801 1.00 3.34 C ATOM 294 CG GLU A 20 -12.194 -2.963 13.246 1.00 3.88 C ATOM 295 CD GLU A 20 -11.395 -3.929 14.090 1.00 4.57 C ATOM 296 OE1 GLU A 20 -11.874 -5.049 14.333 1.00 5.20 O ATOM 297 OE2 GLU A 20 -10.277 -3.581 14.535 1.00 4.79 O ATOM 0 H GLU A 20 -10.689 -1.683 10.630 1.00 1.87 H new ATOM 0 HA GLU A 20 -10.372 -4.334 11.814 1.00 2.49 H new ATOM 0 HB2 GLU A 20 -12.819 -2.654 11.226 1.00 3.34 H new ATOM 0 HB3 GLU A 20 -12.891 -4.324 11.753 1.00 3.34 H new ATOM 0 HG2 GLU A 20 -11.731 -1.977 13.287 1.00 3.88 H new ATOM 0 HG3 GLU A 20 -13.196 -2.862 13.662 1.00 3.88 H new ATOM 304 N THR A 21 -11.477 -5.632 9.919 1.00 2.33 N ATOM 305 CA THR A 21 -11.654 -6.473 8.786 1.00 2.61 C ATOM 306 C THR A 21 -13.015 -6.183 8.138 1.00 2.41 C ATOM 307 O THR A 21 -14.037 -6.759 8.510 1.00 3.04 O ATOM 308 CB THR A 21 -11.546 -7.950 9.222 1.00 3.66 C ATOM 309 OG1 THR A 21 -10.314 -8.123 9.957 1.00 4.09 O ATOM 310 CG2 THR A 21 -11.529 -8.879 8.012 1.00 4.35 C ATOM 0 H THR A 21 -11.670 -6.095 10.807 1.00 2.33 H new ATOM 0 HA THR A 21 -10.877 -6.275 8.048 1.00 2.61 H new ATOM 0 HB THR A 21 -12.410 -8.198 9.839 1.00 3.66 H new ATOM 0 HG1 THR A 21 -10.232 -9.057 10.243 1.00 4.09 H new ATOM 0 HG21 THR A 21 -11.452 -9.913 8.348 1.00 4.35 H new ATOM 0 HG22 THR A 21 -12.449 -8.750 7.441 1.00 4.35 H new ATOM 0 HG23 THR A 21 -10.674 -8.638 7.381 1.00 4.35 H new ATOM 318 N ASP A 22 -13.007 -5.173 7.271 1.00 2.19 N ATOM 319 CA ASP A 22 -14.184 -4.732 6.482 1.00 2.51 C ATOM 320 C ASP A 22 -14.916 -5.908 5.865 1.00 2.23 C ATOM 321 O ASP A 22 -16.123 -6.056 6.023 1.00 2.75 O ATOM 322 CB ASP A 22 -13.734 -3.766 5.360 1.00 3.10 C ATOM 323 CG ASP A 22 -14.863 -3.348 4.413 1.00 3.82 C ATOM 324 OD1 ASP A 22 -15.665 -2.462 4.766 1.00 4.16 O ATOM 325 OD2 ASP A 22 -14.976 -3.925 3.311 1.00 4.46 O ATOM 0 H ASP A 22 -12.171 -4.619 7.084 1.00 2.19 H new ATOM 0 HA ASP A 22 -14.866 -4.223 7.163 1.00 2.51 H new ATOM 0 HB2 ASP A 22 -13.304 -2.873 5.813 1.00 3.10 H new ATOM 0 HB3 ASP A 22 -12.943 -4.242 4.780 1.00 3.10 H new ATOM 330 N GLY A 23 -14.172 -6.759 5.218 1.00 2.01 N ATOM 331 CA GLY A 23 -14.758 -7.870 4.546 1.00 2.24 C ATOM 332 C GLY A 23 -14.631 -7.675 3.076 1.00 1.82 C ATOM 333 O GLY A 23 -15.546 -7.158 2.427 1.00 2.14 O ATOM 0 H GLY A 23 -13.156 -6.700 5.145 1.00 2.01 H new ATOM 0 HA2 GLY A 23 -14.264 -8.794 4.846 1.00 2.24 H new ATOM 0 HA3 GLY A 23 -15.808 -7.965 4.823 1.00 2.24 H new ATOM 337 N THR A 24 -13.498 -8.050 2.557 1.00 1.57 N ATOM 338 CA THR A 24 -13.199 -7.868 1.177 1.00 1.43 C ATOM 339 C THR A 24 -12.115 -8.878 0.819 1.00 1.45 C ATOM 340 O THR A 24 -11.366 -9.304 1.711 1.00 1.91 O ATOM 341 CB THR A 24 -12.741 -6.383 0.909 1.00 1.62 C ATOM 342 OG1 THR A 24 -12.740 -6.068 -0.490 1.00 2.20 O ATOM 343 CG2 THR A 24 -11.358 -6.088 1.498 1.00 1.81 C ATOM 0 H THR A 24 -12.751 -8.495 3.091 1.00 1.57 H new ATOM 0 HA THR A 24 -14.076 -8.036 0.552 1.00 1.43 H new ATOM 0 HB THR A 24 -13.473 -5.751 1.412 1.00 1.62 H new ATOM 0 HG1 THR A 24 -12.052 -5.395 -0.673 1.00 2.20 H new ATOM 0 HG21 THR A 24 -11.086 -5.054 1.288 1.00 1.81 H new ATOM 0 HG22 THR A 24 -11.381 -6.245 2.576 1.00 1.81 H new ATOM 0 HG23 THR A 24 -10.622 -6.755 1.049 1.00 1.81 H new ATOM 351 N ASP A 25 -12.034 -9.290 -0.435 1.00 1.48 N ATOM 352 CA ASP A 25 -11.054 -10.299 -0.808 1.00 1.62 C ATOM 353 C ASP A 25 -9.708 -9.641 -0.994 1.00 1.23 C ATOM 354 O ASP A 25 -9.457 -8.967 -1.995 1.00 1.29 O ATOM 355 CB ASP A 25 -11.461 -11.064 -2.066 1.00 2.15 C ATOM 356 CG ASP A 25 -10.613 -12.306 -2.264 1.00 2.70 C ATOM 357 OD1 ASP A 25 -10.971 -13.370 -1.707 1.00 3.20 O ATOM 358 OD2 ASP A 25 -9.588 -12.252 -2.947 1.00 3.10 O ATOM 0 H ASP A 25 -12.620 -8.951 -1.198 1.00 1.48 H new ATOM 0 HA ASP A 25 -10.998 -11.032 -0.003 1.00 1.62 H new ATOM 0 HB2 ASP A 25 -12.511 -11.347 -1.996 1.00 2.15 H new ATOM 0 HB3 ASP A 25 -11.363 -10.414 -2.935 1.00 2.15 H new ATOM 363 N LEU A 26 -8.871 -9.795 -0.009 1.00 1.06 N ATOM 364 CA LEU A 26 -7.596 -9.132 0.026 1.00 0.81 C ATOM 365 C LEU A 26 -6.465 -10.170 -0.052 1.00 0.84 C ATOM 366 O LEU A 26 -5.302 -9.870 0.193 1.00 1.12 O ATOM 367 CB LEU A 26 -7.515 -8.318 1.334 1.00 0.93 C ATOM 368 CG LEU A 26 -6.380 -7.301 1.461 1.00 0.93 C ATOM 369 CD1 LEU A 26 -6.527 -6.215 0.415 1.00 1.12 C ATOM 370 CD2 LEU A 26 -6.371 -6.697 2.851 1.00 1.24 C ATOM 0 H LEU A 26 -9.054 -10.389 0.800 1.00 1.06 H new ATOM 0 HA LEU A 26 -7.487 -8.461 -0.826 1.00 0.81 H new ATOM 0 HB2 LEU A 26 -8.459 -7.787 1.459 1.00 0.93 H new ATOM 0 HB3 LEU A 26 -7.432 -9.020 2.163 1.00 0.93 H new ATOM 0 HG LEU A 26 -5.432 -7.813 1.298 1.00 0.93 H new ATOM 0 HD11 LEU A 26 -5.712 -5.498 0.518 1.00 1.12 H new ATOM 0 HD12 LEU A 26 -6.495 -6.661 -0.579 1.00 1.12 H new ATOM 0 HD13 LEU A 26 -7.480 -5.703 0.553 1.00 1.12 H new ATOM 0 HD21 LEU A 26 -5.558 -5.975 2.929 1.00 1.24 H new ATOM 0 HD22 LEU A 26 -7.321 -6.196 3.036 1.00 1.24 H new ATOM 0 HD23 LEU A 26 -6.227 -7.486 3.589 1.00 1.24 H new ATOM 382 N SER A 27 -6.814 -11.384 -0.405 1.00 0.86 N ATOM 383 CA SER A 27 -5.836 -12.437 -0.530 1.00 0.94 C ATOM 384 C SER A 27 -5.585 -12.724 -1.996 1.00 1.11 C ATOM 385 O SER A 27 -6.508 -12.680 -2.806 1.00 1.82 O ATOM 386 CB SER A 27 -6.320 -13.689 0.182 1.00 1.29 C ATOM 387 OG SER A 27 -6.589 -13.413 1.551 1.00 1.78 O ATOM 0 H SER A 27 -7.772 -11.667 -0.611 1.00 0.86 H new ATOM 0 HA SER A 27 -4.902 -12.118 -0.066 1.00 0.94 H new ATOM 0 HB2 SER A 27 -7.221 -14.064 -0.303 1.00 1.29 H new ATOM 0 HB3 SER A 27 -5.566 -14.473 0.105 1.00 1.29 H new ATOM 0 HG SER A 27 -6.901 -14.229 1.994 1.00 1.78 H new ATOM 393 N GLY A 28 -4.351 -12.984 -2.340 1.00 1.06 N ATOM 394 CA GLY A 28 -4.018 -13.266 -3.706 1.00 1.30 C ATOM 395 C GLY A 28 -3.793 -11.996 -4.449 1.00 1.12 C ATOM 396 O GLY A 28 -3.342 -11.013 -3.861 1.00 1.42 O ATOM 0 H GLY A 28 -3.563 -13.006 -1.692 1.00 1.06 H new ATOM 0 HA2 GLY A 28 -3.122 -13.886 -3.750 1.00 1.30 H new ATOM 0 HA3 GLY A 28 -4.822 -13.834 -4.175 1.00 1.30 H new ATOM 400 N ASP A 29 -4.129 -11.964 -5.710 1.00 1.15 N ATOM 401 CA ASP A 29 -3.921 -10.759 -6.464 1.00 1.06 C ATOM 402 C ASP A 29 -5.059 -9.793 -6.242 1.00 0.95 C ATOM 403 O ASP A 29 -6.055 -9.809 -6.943 1.00 1.46 O ATOM 404 CB ASP A 29 -3.710 -11.011 -7.968 1.00 1.33 C ATOM 405 CG ASP A 29 -3.324 -9.744 -8.738 1.00 1.79 C ATOM 406 OD1 ASP A 29 -4.208 -8.939 -9.081 1.00 2.15 O ATOM 407 OD2 ASP A 29 -2.107 -9.550 -9.020 1.00 2.27 O ATOM 0 H ASP A 29 -4.539 -12.741 -6.228 1.00 1.15 H new ATOM 0 HA ASP A 29 -2.995 -10.319 -6.093 1.00 1.06 H new ATOM 0 HB2 ASP A 29 -2.930 -11.761 -8.099 1.00 1.33 H new ATOM 0 HB3 ASP A 29 -4.625 -11.424 -8.394 1.00 1.33 H new ATOM 412 N PHE A 30 -4.965 -9.047 -5.173 1.00 0.50 N ATOM 413 CA PHE A 30 -5.874 -7.934 -4.948 1.00 0.39 C ATOM 414 C PHE A 30 -5.294 -6.721 -5.665 1.00 0.32 C ATOM 415 O PHE A 30 -5.911 -5.678 -5.778 1.00 0.31 O ATOM 416 CB PHE A 30 -6.063 -7.648 -3.440 1.00 0.39 C ATOM 417 CG PHE A 30 -4.815 -7.213 -2.707 1.00 0.38 C ATOM 418 CD1 PHE A 30 -3.961 -8.143 -2.153 1.00 0.47 C ATOM 419 CD2 PHE A 30 -4.508 -5.868 -2.569 1.00 0.41 C ATOM 420 CE1 PHE A 30 -2.829 -7.746 -1.481 1.00 0.55 C ATOM 421 CE2 PHE A 30 -3.376 -5.468 -1.895 1.00 0.48 C ATOM 422 CZ PHE A 30 -2.535 -6.407 -1.354 1.00 0.53 C ATOM 0 H PHE A 30 -4.270 -9.183 -4.439 1.00 0.50 H new ATOM 0 HA PHE A 30 -6.862 -8.175 -5.339 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.821 -6.873 -3.326 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.451 -8.547 -2.962 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.184 -9.195 -2.248 1.00 0.47 H new ATOM 0 HD2 PHE A 30 -5.165 -5.125 -2.996 1.00 0.41 H new ATOM 0 HE1 PHE A 30 -2.169 -8.486 -1.052 1.00 0.55 H new ATOM 0 HE2 PHE A 30 -3.151 -4.417 -1.792 1.00 0.48 H new ATOM 0 HZ PHE A 30 -1.644 -6.096 -0.829 1.00 0.53 H new ATOM 432 N LEU A 31 -4.067 -6.908 -6.123 1.00 0.33 N ATOM 433 CA LEU A 31 -3.248 -5.916 -6.802 1.00 0.32 C ATOM 434 C LEU A 31 -3.950 -5.280 -8.013 1.00 0.28 C ATOM 435 O LEU A 31 -3.646 -4.159 -8.366 1.00 0.33 O ATOM 436 CB LEU A 31 -1.930 -6.558 -7.235 1.00 0.41 C ATOM 437 CG LEU A 31 -1.152 -7.315 -6.143 1.00 0.61 C ATOM 438 CD1 LEU A 31 0.093 -7.940 -6.724 1.00 1.29 C ATOM 439 CD2 LEU A 31 -0.788 -6.410 -4.973 1.00 0.98 C ATOM 0 H LEU A 31 -3.590 -7.804 -6.026 1.00 0.33 H new ATOM 0 HA LEU A 31 -3.063 -5.109 -6.093 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -2.138 -7.251 -8.050 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.284 -5.777 -7.637 1.00 0.41 H new ATOM 0 HG LEU A 31 -1.805 -8.100 -5.762 1.00 0.61 H new ATOM 0 HD11 LEU A 31 0.633 -8.472 -5.940 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -0.185 -8.640 -7.512 1.00 1.29 H new ATOM 0 HD13 LEU A 31 0.732 -7.160 -7.140 1.00 1.29 H new ATOM 0 HD21 LEU A 31 -0.240 -6.984 -4.226 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -0.165 -5.589 -5.328 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.698 -6.008 -4.527 1.00 0.98 H new ATOM 451 N ASP A 32 -4.874 -6.016 -8.627 1.00 0.32 N ATOM 452 CA ASP A 32 -5.621 -5.557 -9.822 1.00 0.43 C ATOM 453 C ASP A 32 -6.938 -4.849 -9.439 1.00 0.36 C ATOM 454 O ASP A 32 -7.572 -4.178 -10.271 1.00 0.42 O ATOM 455 CB ASP A 32 -5.896 -6.778 -10.735 1.00 0.69 C ATOM 456 CG ASP A 32 -6.832 -6.524 -11.906 1.00 1.22 C ATOM 457 OD1 ASP A 32 -6.396 -5.958 -12.928 1.00 1.74 O ATOM 458 OD2 ASP A 32 -8.019 -6.915 -11.829 1.00 1.99 O ATOM 0 H ASP A 32 -5.135 -6.952 -8.318 1.00 0.32 H new ATOM 0 HA ASP A 32 -5.017 -4.824 -10.356 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -4.944 -7.139 -11.125 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -6.315 -7.578 -10.125 1.00 0.69 H new ATOM 463 N LEU A 33 -7.308 -4.941 -8.181 1.00 0.32 N ATOM 464 CA LEU A 33 -8.529 -4.326 -7.692 1.00 0.33 C ATOM 465 C LEU A 33 -8.297 -2.848 -7.445 1.00 0.31 C ATOM 466 O LEU A 33 -7.206 -2.442 -7.100 1.00 0.45 O ATOM 467 CB LEU A 33 -8.987 -4.998 -6.395 1.00 0.40 C ATOM 468 CG LEU A 33 -9.440 -6.453 -6.508 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.702 -7.022 -5.135 1.00 0.57 C ATOM 470 CD2 LEU A 33 -10.701 -6.543 -7.342 1.00 0.58 C ATOM 0 H LEU A 33 -6.776 -5.441 -7.469 1.00 0.32 H new ATOM 0 HA LEU A 33 -9.307 -4.452 -8.446 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -8.168 -4.950 -5.677 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.809 -4.415 -5.980 1.00 0.40 H new ATOM 0 HG LEU A 33 -8.649 -7.028 -6.990 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -10.024 -8.059 -5.226 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.789 -6.977 -4.542 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.483 -6.441 -4.643 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -11.015 -7.584 -7.416 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -11.491 -5.958 -6.871 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -10.506 -6.151 -8.340 1.00 0.58 H new ATOM 482 N ARG A 34 -9.310 -2.055 -7.634 1.00 0.28 N ATOM 483 CA ARG A 34 -9.212 -0.617 -7.419 1.00 0.31 C ATOM 484 C ARG A 34 -9.237 -0.324 -5.932 1.00 0.29 C ATOM 485 O ARG A 34 -9.975 -0.986 -5.194 1.00 0.34 O ATOM 486 CB ARG A 34 -10.400 0.068 -8.069 1.00 0.48 C ATOM 487 CG ARG A 34 -10.460 -0.061 -9.573 1.00 0.73 C ATOM 488 CD ARG A 34 -11.858 0.239 -10.063 1.00 1.02 C ATOM 489 NE ARG A 34 -12.811 -0.780 -9.572 1.00 1.90 N ATOM 490 CZ ARG A 34 -14.141 -0.721 -9.681 1.00 2.41 C ATOM 491 NH1 ARG A 34 -14.730 0.373 -10.155 1.00 2.17 N ATOM 492 NH2 ARG A 34 -14.881 -1.760 -9.291 1.00 3.51 N ATOM 0 H ARG A 34 -10.230 -2.372 -7.940 1.00 0.28 H new ATOM 0 HA ARG A 34 -8.282 -0.250 -7.854 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -11.316 -0.345 -7.646 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -10.378 1.126 -7.810 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -9.749 0.625 -10.034 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -10.170 -1.068 -9.872 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -12.165 1.227 -9.720 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -11.870 0.261 -11.153 1.00 1.02 H new ATOM 0 HE ARG A 34 -12.418 -1.600 -9.110 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -14.166 1.174 -10.438 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -15.746 0.411 -10.235 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -14.431 -2.593 -8.912 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -15.897 -1.721 -9.372 1.00 3.51 H new ATOM 506 N PHE A 35 -8.429 0.635 -5.486 1.00 0.30 N ATOM 507 CA PHE A 35 -8.434 1.062 -4.078 1.00 0.34 C ATOM 508 C PHE A 35 -9.843 1.375 -3.588 1.00 0.38 C ATOM 509 O PHE A 35 -10.263 0.879 -2.541 1.00 0.41 O ATOM 510 CB PHE A 35 -7.513 2.256 -3.818 1.00 0.38 C ATOM 511 CG PHE A 35 -6.049 1.936 -3.823 1.00 0.37 C ATOM 512 CD1 PHE A 35 -5.479 1.245 -2.763 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.237 2.344 -4.862 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.128 0.968 -2.745 1.00 0.42 C ATOM 515 CE2 PHE A 35 -3.884 2.075 -4.848 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.330 1.386 -3.789 1.00 0.44 C ATOM 0 H PHE A 35 -7.761 1.134 -6.074 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.046 0.216 -3.511 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.706 3.017 -4.574 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -7.771 2.692 -2.853 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.101 0.920 -1.942 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.666 2.880 -5.696 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -3.697 0.426 -1.916 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.259 2.403 -5.665 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.271 1.174 -3.778 1.00 0.44 H new ATOM 526 N GLU A 36 -10.576 2.161 -4.374 1.00 0.44 N ATOM 527 CA GLU A 36 -11.958 2.556 -4.051 1.00 0.52 C ATOM 528 C GLU A 36 -12.848 1.335 -3.795 1.00 0.52 C ATOM 529 O GLU A 36 -13.745 1.362 -2.961 1.00 0.58 O ATOM 530 CB GLU A 36 -12.563 3.395 -5.198 1.00 0.64 C ATOM 531 CG GLU A 36 -12.634 2.664 -6.540 1.00 1.23 C ATOM 532 CD GLU A 36 -13.311 3.464 -7.613 1.00 1.60 C ATOM 533 OE1 GLU A 36 -14.554 3.537 -7.619 1.00 1.97 O ATOM 534 OE2 GLU A 36 -12.620 4.036 -8.479 1.00 2.06 O ATOM 0 H GLU A 36 -10.234 2.546 -5.255 1.00 0.44 H new ATOM 0 HA GLU A 36 -11.919 3.154 -3.140 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -13.568 3.707 -4.914 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -11.970 4.301 -5.322 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.624 2.414 -6.864 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -13.167 1.723 -6.406 1.00 1.23 H new ATOM 541 N ASP A 37 -12.537 0.262 -4.479 1.00 0.49 N ATOM 542 CA ASP A 37 -13.334 -0.939 -4.469 1.00 0.55 C ATOM 543 C ASP A 37 -12.964 -1.850 -3.299 1.00 0.55 C ATOM 544 O ASP A 37 -13.794 -2.603 -2.797 1.00 0.66 O ATOM 545 CB ASP A 37 -13.169 -1.645 -5.810 1.00 0.62 C ATOM 546 CG ASP A 37 -13.987 -2.892 -5.947 1.00 0.74 C ATOM 547 OD1 ASP A 37 -15.224 -2.826 -5.812 1.00 0.92 O ATOM 548 OD2 ASP A 37 -13.421 -3.950 -6.274 1.00 0.86 O ATOM 0 H ASP A 37 -11.708 0.198 -5.069 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.383 -0.677 -4.328 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.441 -0.955 -6.608 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.117 -1.895 -5.950 1.00 0.62 H new ATOM 553 N ILE A 38 -11.740 -1.742 -2.823 1.00 0.47 N ATOM 554 CA ILE A 38 -11.299 -2.553 -1.684 1.00 0.51 C ATOM 555 C ILE A 38 -11.447 -1.787 -0.377 1.00 0.53 C ATOM 556 O ILE A 38 -10.803 -2.088 0.628 1.00 0.59 O ATOM 557 CB ILE A 38 -9.844 -3.072 -1.832 1.00 0.50 C ATOM 558 CG1 ILE A 38 -8.861 -1.909 -2.047 1.00 0.44 C ATOM 559 CG2 ILE A 38 -9.759 -4.083 -2.960 1.00 0.56 C ATOM 560 CD1 ILE A 38 -7.416 -2.323 -2.179 1.00 0.47 C ATOM 0 H ILE A 38 -11.032 -1.110 -3.196 1.00 0.47 H new ATOM 0 HA ILE A 38 -11.951 -3.426 -1.668 1.00 0.51 H new ATOM 0 HB ILE A 38 -9.559 -3.571 -0.906 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.153 -1.365 -2.946 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -8.951 -1.215 -1.211 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -8.733 -4.439 -3.053 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -10.417 -4.925 -2.744 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.066 -3.613 -3.894 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -6.796 -1.439 -2.328 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.101 -2.839 -1.272 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.306 -2.991 -3.033 1.00 0.47 H new ATOM 572 N GLY A 39 -12.351 -0.828 -0.391 1.00 0.54 N ATOM 573 CA GLY A 39 -12.644 -0.048 0.781 1.00 0.61 C ATOM 574 C GLY A 39 -11.550 0.930 1.135 1.00 0.55 C ATOM 575 O GLY A 39 -11.430 1.347 2.297 1.00 0.69 O ATOM 0 H GLY A 39 -12.897 -0.573 -1.214 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -13.573 0.499 0.622 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -12.809 -0.719 1.624 1.00 0.61 H new ATOM 579 N TYR A 40 -10.743 1.291 0.168 1.00 0.45 N ATOM 580 CA TYR A 40 -9.696 2.241 0.391 1.00 0.48 C ATOM 581 C TYR A 40 -10.023 3.578 -0.182 1.00 0.56 C ATOM 582 O TYR A 40 -9.918 3.813 -1.382 1.00 0.64 O ATOM 583 CB TYR A 40 -8.324 1.719 -0.036 1.00 0.43 C ATOM 584 CG TYR A 40 -7.579 1.166 1.135 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.064 0.086 1.853 1.00 0.73 C ATOM 586 CD2 TYR A 40 -6.420 1.769 1.567 1.00 0.74 C ATOM 587 CE1 TYR A 40 -7.418 -0.360 2.977 1.00 1.00 C ATOM 588 CE2 TYR A 40 -5.756 1.320 2.673 1.00 0.99 C ATOM 589 CZ TYR A 40 -6.259 0.264 3.382 1.00 1.11 C ATOM 590 OH TYR A 40 -5.631 -0.145 4.514 1.00 1.40 O ATOM 0 H TYR A 40 -10.797 0.935 -0.786 1.00 0.45 H new ATOM 0 HA TYR A 40 -9.626 2.384 1.469 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.444 0.946 -0.795 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -7.749 2.525 -0.491 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -8.964 -0.412 1.523 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.028 2.614 1.021 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -7.814 -1.193 3.539 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -4.839 1.796 2.986 1.00 0.99 H new ATOM 0 HH TYR A 40 -6.030 -0.985 4.824 1.00 1.40 H new ATOM 600 N ASP A 41 -10.418 4.435 0.718 1.00 0.74 N ATOM 601 CA ASP A 41 -10.838 5.793 0.441 1.00 0.95 C ATOM 602 C ASP A 41 -9.714 6.624 -0.180 1.00 1.01 C ATOM 603 O ASP A 41 -9.727 6.845 -1.376 1.00 1.89 O ATOM 604 CB ASP A 41 -11.347 6.396 1.736 1.00 1.15 C ATOM 605 CG ASP A 41 -11.750 7.840 1.653 1.00 1.57 C ATOM 606 OD1 ASP A 41 -12.785 8.154 1.030 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.071 8.664 2.278 1.00 2.16 O ATOM 0 H ASP A 41 -10.460 4.202 1.710 1.00 0.74 H new ATOM 0 HA ASP A 41 -11.637 5.789 -0.300 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -12.204 5.815 2.077 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -10.571 6.295 2.495 1.00 1.15 H new ATOM 612 N SER A 42 -8.702 6.991 0.619 1.00 0.71 N ATOM 613 CA SER A 42 -7.557 7.788 0.127 1.00 0.66 C ATOM 614 C SER A 42 -6.589 8.126 1.253 1.00 0.49 C ATOM 615 O SER A 42 -5.392 7.863 1.151 1.00 0.45 O ATOM 616 CB SER A 42 -8.025 9.077 -0.541 1.00 0.86 C ATOM 617 OG SER A 42 -8.927 9.800 0.350 1.00 1.19 O ATOM 0 H SER A 42 -8.648 6.751 1.609 1.00 0.71 H new ATOM 0 HA SER A 42 -7.039 7.174 -0.610 1.00 0.66 H new ATOM 0 HB2 SER A 42 -7.166 9.701 -0.788 1.00 0.86 H new ATOM 0 HB3 SER A 42 -8.532 8.848 -1.478 1.00 0.86 H new ATOM 622 N LEU A 43 -7.092 8.680 2.325 1.00 0.49 N ATOM 623 CA LEU A 43 -6.250 8.980 3.479 1.00 0.49 C ATOM 624 C LEU A 43 -5.773 7.682 4.122 1.00 0.42 C ATOM 625 O LEU A 43 -4.641 7.582 4.590 1.00 0.41 O ATOM 626 CB LEU A 43 -6.972 9.882 4.483 1.00 0.65 C ATOM 627 CG LEU A 43 -7.312 11.291 3.981 1.00 0.79 C ATOM 628 CD1 LEU A 43 -8.026 12.087 5.057 1.00 1.12 C ATOM 629 CD2 LEU A 43 -6.049 12.019 3.536 1.00 1.03 C ATOM 0 H LEU A 43 -8.073 8.936 2.434 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.376 9.535 3.138 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -7.896 9.391 4.787 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -6.352 9.973 5.375 1.00 0.65 H new ATOM 0 HG LEU A 43 -7.979 11.195 3.124 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -8.258 13.083 4.679 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -8.950 11.579 5.332 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -7.384 12.172 5.934 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -6.309 13.017 3.183 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -5.360 12.100 4.377 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -5.573 11.462 2.729 1.00 1.03 H new ATOM 641 N ALA A 44 -6.649 6.689 4.127 1.00 0.40 N ATOM 642 CA ALA A 44 -6.309 5.334 4.564 1.00 0.38 C ATOM 643 C ALA A 44 -5.290 4.702 3.607 1.00 0.32 C ATOM 644 O ALA A 44 -4.457 3.903 4.002 1.00 0.33 O ATOM 645 CB ALA A 44 -7.555 4.475 4.642 1.00 0.43 C ATOM 0 H ALA A 44 -7.619 6.795 3.829 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.864 5.395 5.557 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.285 3.471 4.968 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.254 4.912 5.355 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.023 4.423 3.659 1.00 0.43 H new ATOM 651 N LEU A 45 -5.377 5.078 2.344 1.00 0.30 N ATOM 652 CA LEU A 45 -4.463 4.594 1.312 1.00 0.28 C ATOM 653 C LEU A 45 -3.062 5.148 1.628 1.00 0.28 C ATOM 654 O LEU A 45 -2.059 4.424 1.610 1.00 0.29 O ATOM 655 CB LEU A 45 -5.004 5.069 -0.070 1.00 0.30 C ATOM 656 CG LEU A 45 -4.368 4.552 -1.388 1.00 0.30 C ATOM 657 CD1 LEU A 45 -5.113 5.145 -2.564 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.885 4.882 -1.518 1.00 0.37 C ATOM 0 H LEU A 45 -6.083 5.729 1.999 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.395 3.506 1.285 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -6.064 4.816 -0.104 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.935 6.157 -0.085 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.449 3.465 -1.373 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.671 4.786 -3.493 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -6.160 4.845 -2.520 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -5.045 6.232 -2.527 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.507 4.491 -2.462 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.749 5.963 -1.493 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.338 4.428 -0.692 1.00 0.37 H new ATOM 670 N MET A 46 -3.023 6.429 1.955 1.00 0.30 N ATOM 671 CA MET A 46 -1.791 7.107 2.337 1.00 0.34 C ATOM 672 C MET A 46 -1.244 6.526 3.609 1.00 0.34 C ATOM 673 O MET A 46 -0.048 6.404 3.766 1.00 0.40 O ATOM 674 CB MET A 46 -2.030 8.593 2.511 1.00 0.39 C ATOM 675 CG MET A 46 -2.350 9.290 1.232 1.00 0.45 C ATOM 676 SD MET A 46 -2.651 11.053 1.446 1.00 0.68 S ATOM 677 CE MET A 46 -2.840 11.531 -0.264 1.00 1.44 C ATOM 0 H MET A 46 -3.846 7.031 1.964 1.00 0.30 H new ATOM 0 HA MET A 46 -1.063 6.960 1.539 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.850 8.743 3.214 1.00 0.39 H new ATOM 0 HB3 MET A 46 -1.144 9.048 2.953 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.526 9.150 0.533 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.230 8.829 0.784 1.00 0.45 H new ATOM 0 HE1 MET A 46 -1.951 12.070 -0.592 1.00 1.44 H new ATOM 0 HE2 MET A 46 -2.972 10.640 -0.878 1.00 1.44 H new ATOM 0 HE3 MET A 46 -3.713 12.175 -0.367 1.00 1.44 H new ATOM 687 N GLU A 47 -2.146 6.158 4.487 1.00 0.32 N ATOM 688 CA GLU A 47 -1.844 5.526 5.758 1.00 0.37 C ATOM 689 C GLU A 47 -0.991 4.269 5.527 1.00 0.32 C ATOM 690 O GLU A 47 0.000 4.060 6.205 1.00 0.33 O ATOM 691 CB GLU A 47 -3.172 5.183 6.407 1.00 0.45 C ATOM 692 CG GLU A 47 -3.112 4.585 7.799 1.00 0.85 C ATOM 693 CD GLU A 47 -2.489 5.495 8.806 1.00 1.22 C ATOM 694 OE1 GLU A 47 -3.080 6.547 9.109 1.00 1.89 O ATOM 695 OE2 GLU A 47 -1.367 5.201 9.271 1.00 1.82 O ATOM 0 H GLU A 47 -3.146 6.293 4.335 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.270 6.187 6.408 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.774 6.091 6.452 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.698 4.483 5.758 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -4.122 4.333 8.123 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -2.547 3.653 7.763 1.00 0.85 H new ATOM 702 N THR A 48 -1.373 3.477 4.536 1.00 0.31 N ATOM 703 CA THR A 48 -0.618 2.305 4.134 1.00 0.30 C ATOM 704 C THR A 48 0.789 2.714 3.650 1.00 0.29 C ATOM 705 O THR A 48 1.809 2.220 4.165 1.00 0.32 O ATOM 706 CB THR A 48 -1.366 1.595 2.992 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.623 1.117 3.475 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.549 0.445 2.417 1.00 0.33 C ATOM 0 H THR A 48 -2.219 3.632 3.988 1.00 0.31 H new ATOM 0 HA THR A 48 -0.514 1.635 4.987 1.00 0.30 H new ATOM 0 HB THR A 48 -1.529 2.313 2.188 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.031 0.532 2.803 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.109 -0.033 1.613 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.393 0.828 2.025 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.346 -0.285 3.201 1.00 0.33 H new ATOM 716 N ALA A 49 0.826 3.609 2.669 1.00 0.29 N ATOM 717 CA ALA A 49 2.070 4.068 2.065 1.00 0.30 C ATOM 718 C ALA A 49 3.022 4.641 3.114 1.00 0.27 C ATOM 719 O ALA A 49 4.177 4.232 3.200 1.00 0.27 O ATOM 720 CB ALA A 49 1.773 5.106 0.998 1.00 0.36 C ATOM 0 H ALA A 49 -0.009 4.038 2.270 1.00 0.29 H new ATOM 0 HA ALA A 49 2.562 3.210 1.606 1.00 0.30 H new ATOM 0 HB1 ALA A 49 2.707 5.445 0.550 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.140 4.665 0.228 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.258 5.954 1.449 1.00 0.36 H new ATOM 726 N ALA A 50 2.500 5.529 3.942 1.00 0.29 N ATOM 727 CA ALA A 50 3.268 6.211 4.976 1.00 0.31 C ATOM 728 C ALA A 50 3.752 5.248 6.040 1.00 0.30 C ATOM 729 O ALA A 50 4.820 5.430 6.635 1.00 0.32 O ATOM 730 CB ALA A 50 2.431 7.296 5.603 1.00 0.39 C ATOM 0 H ALA A 50 1.518 5.802 3.917 1.00 0.29 H new ATOM 0 HA ALA A 50 4.146 6.653 4.505 1.00 0.31 H new ATOM 0 HB1 ALA A 50 3.010 7.802 6.375 1.00 0.39 H new ATOM 0 HB2 ALA A 50 2.137 8.016 4.839 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.539 6.856 6.049 1.00 0.39 H new ATOM 736 N ARG A 51 2.969 4.238 6.281 1.00 0.32 N ATOM 737 CA ARG A 51 3.309 3.220 7.229 1.00 0.37 C ATOM 738 C ARG A 51 4.517 2.455 6.745 1.00 0.32 C ATOM 739 O ARG A 51 5.471 2.244 7.495 1.00 0.36 O ATOM 740 CB ARG A 51 2.130 2.306 7.420 1.00 0.51 C ATOM 741 CG ARG A 51 2.282 1.285 8.499 1.00 1.04 C ATOM 742 CD ARG A 51 0.934 0.710 8.815 1.00 1.15 C ATOM 743 NE ARG A 51 0.003 1.768 9.209 1.00 1.91 N ATOM 744 CZ ARG A 51 -0.957 1.655 10.123 1.00 2.60 C ATOM 745 NH1 ARG A 51 -1.134 0.512 10.787 1.00 2.86 N ATOM 746 NH2 ARG A 51 -1.721 2.696 10.384 1.00 3.47 N ATOM 0 H ARG A 51 2.069 4.097 5.821 1.00 0.32 H new ATOM 0 HA ARG A 51 3.557 3.673 8.189 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.252 2.914 7.639 1.00 0.51 H new ATOM 0 HB3 ARG A 51 1.935 1.790 6.480 1.00 0.51 H new ATOM 0 HG2 ARG A 51 2.963 0.496 8.179 1.00 1.04 H new ATOM 0 HG3 ARG A 51 2.717 1.739 9.390 1.00 1.04 H new ATOM 0 HD2 ARG A 51 0.545 0.181 7.945 1.00 1.15 H new ATOM 0 HD3 ARG A 51 1.024 -0.021 9.619 1.00 1.15 H new ATOM 0 HE ARG A 51 0.098 2.670 8.743 1.00 1.91 H new ATOM 0 HH11 ARG A 51 -0.530 -0.287 10.596 1.00 2.86 H new ATOM 0 HH12 ARG A 51 -1.873 0.437 11.486 1.00 2.86 H new ATOM 0 HH21 ARG A 51 -1.573 3.575 9.888 1.00 3.47 H new ATOM 0 HH22 ARG A 51 -2.461 2.623 11.082 1.00 3.47 H new ATOM 760 N LEU A 52 4.489 2.058 5.486 1.00 0.27 N ATOM 761 CA LEU A 52 5.609 1.357 4.906 1.00 0.25 C ATOM 762 C LEU A 52 6.823 2.296 4.780 1.00 0.21 C ATOM 763 O LEU A 52 7.968 1.842 4.851 1.00 0.23 O ATOM 764 CB LEU A 52 5.235 0.669 3.581 1.00 0.29 C ATOM 765 CG LEU A 52 4.024 -0.278 3.653 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.779 -0.929 2.308 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.225 -1.343 4.728 1.00 0.44 C ATOM 0 H LEU A 52 3.705 2.210 4.852 1.00 0.27 H new ATOM 0 HA LEU A 52 5.896 0.549 5.579 1.00 0.25 H new ATOM 0 HB2 LEU A 52 5.031 1.438 2.836 1.00 0.29 H new ATOM 0 HB3 LEU A 52 6.097 0.104 3.228 1.00 0.29 H new ATOM 0 HG LEU A 52 3.149 0.314 3.920 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.919 -1.595 2.377 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.582 -0.159 1.562 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.659 -1.502 2.015 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.355 -1.999 4.758 1.00 0.44 H new ATOM 0 HD22 LEU A 52 5.114 -1.930 4.497 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.350 -0.862 5.698 1.00 0.44 H new ATOM 779 N GLU A 53 6.564 3.614 4.608 1.00 0.19 N ATOM 780 CA GLU A 53 7.639 4.621 4.636 1.00 0.19 C ATOM 781 C GLU A 53 8.356 4.541 5.950 1.00 0.23 C ATOM 782 O GLU A 53 9.559 4.398 5.997 1.00 0.26 O ATOM 783 CB GLU A 53 7.135 6.058 4.520 1.00 0.22 C ATOM 784 CG GLU A 53 6.440 6.460 3.253 1.00 0.25 C ATOM 785 CD GLU A 53 6.129 7.934 3.286 1.00 0.33 C ATOM 786 OE1 GLU A 53 5.159 8.335 3.951 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.800 8.722 2.606 1.00 0.38 O ATOM 0 H GLU A 53 5.631 3.996 4.451 1.00 0.19 H new ATOM 0 HA GLU A 53 8.276 4.398 3.780 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.450 6.240 5.349 1.00 0.22 H new ATOM 0 HB3 GLU A 53 7.987 6.723 4.659 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.070 6.231 2.394 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.520 5.888 3.135 1.00 0.25 H new ATOM 794 N SER A 54 7.590 4.631 7.007 1.00 0.31 N ATOM 795 CA SER A 54 8.097 4.616 8.353 1.00 0.40 C ATOM 796 C SER A 54 8.802 3.288 8.650 1.00 0.36 C ATOM 797 O SER A 54 9.960 3.261 9.075 1.00 0.39 O ATOM 798 CB SER A 54 6.920 4.831 9.321 1.00 0.53 C ATOM 799 OG SER A 54 7.350 5.026 10.658 1.00 1.17 O ATOM 0 H SER A 54 6.575 4.719 6.954 1.00 0.31 H new ATOM 0 HA SER A 54 8.829 5.414 8.479 1.00 0.40 H new ATOM 0 HB2 SER A 54 6.341 5.696 8.998 1.00 0.53 H new ATOM 0 HB3 SER A 54 6.255 3.968 9.278 1.00 0.53 H new ATOM 0 HG SER A 54 6.570 5.160 11.236 1.00 1.17 H new ATOM 805 N ARG A 55 8.110 2.206 8.380 1.00 0.35 N ATOM 806 CA ARG A 55 8.576 0.869 8.694 1.00 0.37 C ATOM 807 C ARG A 55 9.813 0.446 7.884 1.00 0.31 C ATOM 808 O ARG A 55 10.636 -0.318 8.372 1.00 0.36 O ATOM 809 CB ARG A 55 7.418 -0.122 8.519 1.00 0.48 C ATOM 810 CG ARG A 55 7.662 -1.523 9.063 1.00 0.61 C ATOM 811 CD ARG A 55 6.362 -2.319 9.073 1.00 0.85 C ATOM 812 NE ARG A 55 5.329 -1.647 9.891 1.00 1.35 N ATOM 813 CZ ARG A 55 4.026 -1.975 9.931 1.00 2.03 C ATOM 814 NH1 ARG A 55 3.574 -3.031 9.276 1.00 2.37 N ATOM 815 NH2 ARG A 55 3.178 -1.250 10.650 1.00 2.81 N ATOM 0 H ARG A 55 7.195 2.226 7.930 1.00 0.35 H new ATOM 0 HA ARG A 55 8.905 0.868 9.733 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.535 0.289 9.008 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.187 -0.199 7.457 1.00 0.48 H new ATOM 0 HG2 ARG A 55 8.405 -2.034 8.451 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.068 -1.463 10.073 1.00 0.61 H new ATOM 0 HD2 ARG A 55 5.999 -2.440 8.052 1.00 0.85 H new ATOM 0 HD3 ARG A 55 6.548 -3.318 9.466 1.00 0.85 H new ATOM 0 HE ARG A 55 5.631 -0.867 10.475 1.00 1.35 H new ATOM 0 HH11 ARG A 55 4.216 -3.607 8.732 1.00 2.37 H new ATOM 0 HH12 ARG A 55 2.583 -3.269 9.314 1.00 2.37 H new ATOM 0 HH21 ARG A 55 3.515 -0.442 11.174 1.00 2.81 H new ATOM 0 HH22 ARG A 55 2.190 -1.501 10.679 1.00 2.81 H new ATOM 829 N TYR A 56 9.951 0.936 6.660 1.00 0.28 N ATOM 830 CA TYR A 56 11.062 0.494 5.813 1.00 0.31 C ATOM 831 C TYR A 56 12.051 1.597 5.425 1.00 0.33 C ATOM 832 O TYR A 56 13.146 1.306 4.920 1.00 0.43 O ATOM 833 CB TYR A 56 10.546 -0.250 4.584 1.00 0.34 C ATOM 834 CG TYR A 56 9.832 -1.526 4.942 1.00 0.41 C ATOM 835 CD1 TYR A 56 10.554 -2.660 5.257 1.00 0.53 C ATOM 836 CD2 TYR A 56 8.445 -1.590 4.998 1.00 0.45 C ATOM 837 CE1 TYR A 56 9.928 -3.825 5.612 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.804 -2.758 5.362 1.00 0.57 C ATOM 839 CZ TYR A 56 8.557 -3.877 5.671 1.00 0.66 C ATOM 840 OH TYR A 56 7.939 -5.059 6.034 1.00 0.80 O ATOM 0 H TYR A 56 9.328 1.622 6.235 1.00 0.28 H new ATOM 0 HA TYR A 56 11.641 -0.193 6.430 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.869 0.398 4.028 1.00 0.34 H new ATOM 0 HB3 TYR A 56 11.382 -0.478 3.923 1.00 0.34 H new ATOM 0 HD1 TYR A 56 11.633 -2.628 5.223 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.861 -0.715 4.754 1.00 0.45 H new ATOM 0 HE1 TYR A 56 10.512 -4.703 5.846 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.726 -2.798 5.405 1.00 0.57 H new ATOM 0 HH TYR A 56 6.967 -4.935 6.030 1.00 0.80 H new ATOM 850 N GLY A 57 11.692 2.832 5.649 1.00 0.31 N ATOM 851 CA GLY A 57 12.580 3.928 5.330 1.00 0.38 C ATOM 852 C GLY A 57 12.471 4.348 3.877 1.00 0.38 C ATOM 853 O GLY A 57 13.446 4.275 3.127 1.00 0.53 O ATOM 0 H GLY A 57 10.796 3.109 6.049 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.349 4.779 5.971 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.608 3.636 5.546 1.00 0.38 H new ATOM 857 N VAL A 58 11.296 4.782 3.473 1.00 0.37 N ATOM 858 CA VAL A 58 11.069 5.221 2.095 1.00 0.37 C ATOM 859 C VAL A 58 10.339 6.548 2.085 1.00 0.34 C ATOM 860 O VAL A 58 9.985 7.065 3.150 1.00 0.33 O ATOM 861 CB VAL A 58 10.312 4.183 1.182 1.00 0.38 C ATOM 862 CG1 VAL A 58 11.024 2.856 1.150 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.864 3.989 1.600 1.00 0.33 C ATOM 0 H VAL A 58 10.475 4.844 4.075 1.00 0.37 H new ATOM 0 HA VAL A 58 12.062 5.322 1.658 1.00 0.37 H new ATOM 0 HB VAL A 58 10.312 4.605 0.177 1.00 0.38 H new ATOM 0 HG11 VAL A 58 10.475 2.164 0.511 1.00 0.45 H new ATOM 0 HG12 VAL A 58 12.031 2.993 0.756 1.00 0.45 H new ATOM 0 HG13 VAL A 58 11.082 2.450 2.160 1.00 0.45 H new ATOM 0 HG21 VAL A 58 8.388 3.265 0.939 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.827 3.623 2.626 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.336 4.940 1.535 1.00 0.33 H new ATOM 873 N SER A 59 10.122 7.096 0.917 1.00 0.37 N ATOM 874 CA SER A 59 9.421 8.339 0.789 1.00 0.41 C ATOM 875 C SER A 59 8.366 8.230 -0.325 1.00 0.38 C ATOM 876 O SER A 59 8.694 8.158 -1.502 1.00 0.47 O ATOM 877 CB SER A 59 10.425 9.465 0.480 1.00 0.56 C ATOM 878 OG SER A 59 11.457 9.530 1.476 1.00 1.54 O ATOM 0 H SER A 59 10.427 6.691 0.032 1.00 0.37 H new ATOM 0 HA SER A 59 8.911 8.571 1.724 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.872 9.298 -0.500 1.00 0.56 H new ATOM 0 HB3 SER A 59 9.901 10.420 0.433 1.00 0.56 H new ATOM 0 HG SER A 59 12.081 10.252 1.254 1.00 1.54 H new ATOM 884 N ILE A 60 7.119 8.152 0.068 1.00 0.31 N ATOM 885 CA ILE A 60 6.003 8.085 -0.858 1.00 0.31 C ATOM 886 C ILE A 60 5.250 9.411 -0.788 1.00 0.34 C ATOM 887 O ILE A 60 4.596 9.700 0.213 1.00 0.40 O ATOM 888 CB ILE A 60 5.015 6.916 -0.529 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.739 5.554 -0.508 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.853 6.887 -1.530 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.415 5.175 -1.820 1.00 0.59 C ATOM 0 H ILE A 60 6.841 8.133 1.049 1.00 0.31 H new ATOM 0 HA ILE A 60 6.400 7.897 -1.856 1.00 0.31 H new ATOM 0 HB ILE A 60 4.613 7.098 0.467 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.490 5.569 0.282 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.019 4.778 -0.248 1.00 0.47 H new ATOM 0 HG21 ILE A 60 3.179 6.067 -1.282 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.309 7.830 -1.483 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.244 6.743 -2.537 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.898 4.204 -1.713 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.668 5.124 -2.612 1.00 0.59 H new ATOM 0 HD13 ILE A 60 7.163 5.926 -2.074 1.00 0.59 H new ATOM 903 N PRO A 61 5.367 10.243 -1.815 1.00 0.37 N ATOM 904 CA PRO A 61 4.717 11.553 -1.852 1.00 0.45 C ATOM 905 C PRO A 61 3.181 11.464 -1.911 1.00 0.41 C ATOM 906 O PRO A 61 2.611 10.522 -2.505 1.00 0.35 O ATOM 907 CB PRO A 61 5.271 12.194 -3.132 1.00 0.54 C ATOM 908 CG PRO A 61 6.463 11.385 -3.484 1.00 0.56 C ATOM 909 CD PRO A 61 6.161 10.001 -3.022 1.00 0.43 C ATOM 0 HA PRO A 61 4.922 12.125 -0.947 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.532 12.177 -3.933 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.538 13.238 -2.967 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.648 11.408 -4.558 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.358 11.774 -2.998 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.604 9.435 -3.769 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.068 9.437 -2.806 1.00 0.43 H new ATOM 917 N ASP A 62 2.529 12.458 -1.304 1.00 0.51 N ATOM 918 CA ASP A 62 1.055 12.576 -1.243 1.00 0.55 C ATOM 919 C ASP A 62 0.421 12.502 -2.609 1.00 0.45 C ATOM 920 O ASP A 62 -0.606 11.840 -2.788 1.00 0.46 O ATOM 921 CB ASP A 62 0.610 13.903 -0.585 1.00 0.77 C ATOM 922 CG ASP A 62 0.725 13.932 0.920 1.00 1.28 C ATOM 923 OD1 ASP A 62 1.857 14.071 1.447 1.00 1.64 O ATOM 924 OD2 ASP A 62 -0.309 13.848 1.605 1.00 1.99 O ATOM 0 H ASP A 62 3.012 13.221 -0.830 1.00 0.51 H new ATOM 0 HA ASP A 62 0.722 11.732 -0.639 1.00 0.55 H new ATOM 0 HB2 ASP A 62 1.209 14.715 -0.997 1.00 0.77 H new ATOM 0 HB3 ASP A 62 -0.426 14.099 -0.860 1.00 0.77 H new ATOM 929 N ASP A 63 1.054 13.134 -3.583 1.00 0.44 N ATOM 930 CA ASP A 63 0.488 13.220 -4.931 1.00 0.45 C ATOM 931 C ASP A 63 0.539 11.893 -5.616 1.00 0.40 C ATOM 932 O ASP A 63 -0.309 11.577 -6.412 1.00 0.48 O ATOM 933 CB ASP A 63 1.204 14.262 -5.797 1.00 0.58 C ATOM 934 CG ASP A 63 1.031 15.679 -5.313 1.00 1.37 C ATOM 935 OD1 ASP A 63 -0.051 16.271 -5.533 1.00 1.66 O ATOM 936 OD2 ASP A 63 1.961 16.223 -4.686 1.00 2.18 O ATOM 0 H ASP A 63 1.957 13.595 -3.473 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.549 13.532 -4.811 1.00 0.45 H new ATOM 0 HB2 ASP A 63 2.268 14.026 -5.828 1.00 0.58 H new ATOM 0 HB3 ASP A 63 0.832 14.189 -6.819 1.00 0.58 H new ATOM 941 N VAL A 64 1.517 11.105 -5.266 1.00 0.34 N ATOM 942 CA VAL A 64 1.690 9.784 -5.832 1.00 0.37 C ATOM 943 C VAL A 64 0.672 8.843 -5.213 1.00 0.36 C ATOM 944 O VAL A 64 -0.012 8.102 -5.914 1.00 0.43 O ATOM 945 CB VAL A 64 3.114 9.272 -5.551 1.00 0.45 C ATOM 946 CG1 VAL A 64 3.330 7.912 -6.183 1.00 0.57 C ATOM 947 CG2 VAL A 64 4.145 10.258 -6.072 1.00 0.50 C ATOM 0 H VAL A 64 2.224 11.357 -4.576 1.00 0.34 H new ATOM 0 HA VAL A 64 1.541 9.828 -6.911 1.00 0.37 H new ATOM 0 HB VAL A 64 3.233 9.176 -4.472 1.00 0.45 H new ATOM 0 HG11 VAL A 64 4.343 7.569 -5.972 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.613 7.201 -5.771 1.00 0.57 H new ATOM 0 HG13 VAL A 64 3.189 7.985 -7.261 1.00 0.57 H new ATOM 0 HG21 VAL A 64 5.146 9.881 -5.865 1.00 0.50 H new ATOM 0 HG22 VAL A 64 4.019 10.382 -7.148 1.00 0.50 H new ATOM 0 HG23 VAL A 64 4.011 11.220 -5.578 1.00 0.50 H new ATOM 957 N ALA A 65 0.566 8.900 -3.897 1.00 0.35 N ATOM 958 CA ALA A 65 -0.370 8.073 -3.143 1.00 0.39 C ATOM 959 C ALA A 65 -1.817 8.285 -3.613 1.00 0.41 C ATOM 960 O ALA A 65 -2.601 7.357 -3.648 1.00 0.45 O ATOM 961 CB ALA A 65 -0.239 8.356 -1.655 1.00 0.44 C ATOM 0 H ALA A 65 1.127 9.522 -3.316 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.119 7.028 -3.326 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.943 7.733 -1.103 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.777 8.132 -1.330 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.457 9.407 -1.464 1.00 0.44 H new ATOM 967 N GLY A 66 -2.144 9.504 -4.008 1.00 0.47 N ATOM 968 CA GLY A 66 -3.488 9.786 -4.484 1.00 0.55 C ATOM 969 C GLY A 66 -3.610 9.655 -5.996 1.00 0.58 C ATOM 970 O GLY A 66 -4.651 9.948 -6.568 1.00 0.81 O ATOM 0 H GLY A 66 -1.509 10.302 -4.009 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.190 9.103 -4.005 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.771 10.795 -4.186 1.00 0.55 H new ATOM 974 N ARG A 67 -2.543 9.231 -6.629 1.00 0.54 N ATOM 975 CA ARG A 67 -2.499 9.081 -8.081 1.00 0.61 C ATOM 976 C ARG A 67 -2.601 7.611 -8.500 1.00 0.52 C ATOM 977 O ARG A 67 -3.107 7.295 -9.587 1.00 0.59 O ATOM 978 CB ARG A 67 -1.200 9.694 -8.608 1.00 0.75 C ATOM 979 CG ARG A 67 -0.915 9.452 -10.068 1.00 1.32 C ATOM 980 CD ARG A 67 0.414 10.048 -10.465 1.00 1.55 C ATOM 981 NE ARG A 67 0.848 9.554 -11.769 1.00 1.97 N ATOM 982 CZ ARG A 67 1.751 10.135 -12.559 1.00 2.53 C ATOM 983 NH1 ARG A 67 2.246 11.324 -12.247 1.00 2.73 N ATOM 984 NH2 ARG A 67 2.125 9.538 -13.678 1.00 3.33 N ATOM 0 H ARG A 67 -1.674 8.977 -6.159 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.356 9.601 -8.510 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.230 10.770 -8.435 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -0.369 9.300 -8.023 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -0.912 8.381 -10.269 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -1.709 9.888 -10.674 1.00 1.32 H new ATOM 0 HD2 ARG A 67 0.334 11.135 -10.494 1.00 1.55 H new ATOM 0 HD3 ARG A 67 1.164 9.803 -9.713 1.00 1.55 H new ATOM 0 HE ARG A 67 0.423 8.689 -12.104 1.00 1.97 H new ATOM 0 HH11 ARG A 67 1.936 11.799 -11.399 1.00 2.73 H new ATOM 0 HH12 ARG A 67 2.937 11.764 -12.855 1.00 2.73 H new ATOM 0 HH21 ARG A 67 1.723 8.636 -13.934 1.00 3.33 H new ATOM 0 HH22 ARG A 67 2.816 9.979 -14.285 1.00 3.33 H new ATOM 998 N VAL A 68 -2.168 6.728 -7.626 1.00 0.43 N ATOM 999 CA VAL A 68 -2.096 5.315 -7.940 1.00 0.39 C ATOM 1000 C VAL A 68 -3.472 4.655 -7.952 1.00 0.35 C ATOM 1001 O VAL A 68 -4.311 4.875 -7.066 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.082 4.557 -7.030 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.335 4.959 -7.404 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.309 4.869 -5.560 1.00 0.36 C ATOM 0 H VAL A 68 -1.858 6.966 -6.684 1.00 0.43 H new ATOM 0 HA VAL A 68 -1.710 5.243 -8.957 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.230 3.488 -7.184 1.00 0.39 H new ATOM 0 HG11 VAL A 68 1.044 4.429 -6.768 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.522 4.704 -8.447 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.457 6.033 -7.266 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.584 4.323 -4.956 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.188 5.939 -5.392 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.318 4.569 -5.276 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.687 3.870 -8.985 1.00 0.33 N ATOM 1015 CA ASP A 69 -4.982 3.274 -9.295 1.00 0.41 C ATOM 1016 C ASP A 69 -5.164 1.963 -8.569 1.00 0.28 C ATOM 1017 O ASP A 69 -6.139 1.774 -7.826 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.082 3.008 -10.810 1.00 0.62 C ATOM 1019 CG ASP A 69 -4.816 4.230 -11.662 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -3.636 4.611 -11.823 1.00 2.11 O ATOM 1021 OD2 ASP A 69 -5.781 4.837 -12.199 1.00 1.76 O ATOM 0 H ASP A 69 -2.956 3.619 -9.651 1.00 0.33 H new ATOM 0 HA ASP A 69 -5.756 3.971 -8.976 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -4.372 2.226 -11.080 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -6.077 2.627 -11.038 1.00 0.62 H new ATOM 1026 N THR A 70 -4.253 1.043 -8.787 1.00 0.30 N ATOM 1027 CA THR A 70 -4.349 -0.234 -8.151 1.00 0.27 C ATOM 1028 C THR A 70 -3.172 -0.447 -7.186 1.00 0.24 C ATOM 1029 O THR A 70 -2.112 0.195 -7.340 1.00 0.25 O ATOM 1030 CB THR A 70 -4.468 -1.392 -9.190 1.00 0.34 C ATOM 1031 OG1 THR A 70 -3.343 -1.424 -10.080 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.747 -1.262 -10.004 1.00 0.36 C ATOM 0 H THR A 70 -3.445 1.161 -9.398 1.00 0.30 H new ATOM 0 HA THR A 70 -5.268 -0.249 -7.565 1.00 0.27 H new ATOM 0 HB THR A 70 -4.491 -2.323 -8.624 1.00 0.34 H new ATOM 0 HG1 THR A 70 -2.729 -0.693 -9.858 1.00 0.44 H new ATOM 0 HG21 THR A 70 -5.807 -2.081 -10.721 1.00 0.36 H new ATOM 0 HG22 THR A 70 -6.608 -1.300 -9.337 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.743 -0.312 -10.538 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.344 -1.321 -6.153 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.316 -1.611 -5.146 1.00 0.22 C ATOM 1042 C PRO A 71 -0.978 -2.006 -5.747 1.00 0.22 C ATOM 1043 O PRO A 71 0.065 -1.768 -5.137 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.902 -2.781 -4.362 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.365 -2.619 -4.502 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.581 -2.067 -5.873 1.00 0.23 C ATOM 0 HA PRO A 71 -2.100 -0.729 -4.543 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.567 -3.737 -4.765 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.597 -2.751 -3.316 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.878 -3.573 -4.379 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.759 -1.944 -3.742 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.743 -2.861 -6.602 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.456 -1.418 -5.909 1.00 0.23 H new ATOM 1054 N ARG A 72 -1.017 -2.616 -6.930 1.00 0.24 N ATOM 1055 CA ARG A 72 0.185 -3.020 -7.640 1.00 0.28 C ATOM 1056 C ARG A 72 1.143 -1.838 -7.805 1.00 0.27 C ATOM 1057 O ARG A 72 2.323 -1.959 -7.520 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.162 -3.642 -8.985 1.00 0.40 C ATOM 1059 CG ARG A 72 1.032 -4.214 -9.732 1.00 0.70 C ATOM 1060 CD ARG A 72 0.585 -4.927 -10.988 1.00 0.74 C ATOM 1061 NE ARG A 72 -0.306 -6.062 -10.680 1.00 1.18 N ATOM 1062 CZ ARG A 72 -1.564 -6.204 -11.130 1.00 1.71 C ATOM 1063 NH1 ARG A 72 -2.095 -5.273 -11.923 1.00 1.88 N ATOM 1064 NH2 ARG A 72 -2.288 -7.271 -10.765 1.00 2.72 N ATOM 0 H ARG A 72 -1.883 -2.842 -7.419 1.00 0.24 H new ATOM 0 HA ARG A 72 0.693 -3.779 -7.045 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.893 -4.435 -8.828 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.640 -2.887 -9.610 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.724 -3.412 -9.990 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.573 -4.907 -9.087 1.00 0.70 H new ATOM 0 HD2 ARG A 72 0.068 -4.224 -11.641 1.00 0.74 H new ATOM 0 HD3 ARG A 72 1.458 -5.286 -11.533 1.00 0.74 H new ATOM 0 HE ARG A 72 0.063 -6.798 -10.077 1.00 1.18 H new ATOM 0 HH11 ARG A 72 -1.546 -4.455 -12.187 1.00 1.88 H new ATOM 0 HH12 ARG A 72 -3.050 -5.379 -12.266 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -1.884 -7.974 -10.146 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -3.243 -7.380 -11.106 1.00 2.72 H new ATOM 1078 N GLU A 73 0.599 -0.678 -8.196 1.00 0.24 N ATOM 1079 CA GLU A 73 1.401 0.536 -8.371 1.00 0.26 C ATOM 1080 C GLU A 73 2.030 0.961 -7.063 1.00 0.25 C ATOM 1081 O GLU A 73 3.187 1.336 -7.029 1.00 0.32 O ATOM 1082 CB GLU A 73 0.584 1.717 -8.934 1.00 0.33 C ATOM 1083 CG GLU A 73 0.240 1.656 -10.416 1.00 0.50 C ATOM 1084 CD GLU A 73 -0.624 0.498 -10.782 1.00 1.41 C ATOM 1085 OE1 GLU A 73 -1.866 0.589 -10.598 1.00 2.21 O ATOM 1086 OE2 GLU A 73 -0.089 -0.515 -11.282 1.00 1.82 O ATOM 0 H GLU A 73 -0.394 -0.557 -8.397 1.00 0.24 H new ATOM 0 HA GLU A 73 2.174 0.281 -9.096 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.346 1.789 -8.370 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.140 2.636 -8.750 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -0.264 2.579 -10.701 1.00 0.50 H new ATOM 0 HG3 GLU A 73 1.164 1.606 -10.993 1.00 0.50 H new ATOM 1093 N LEU A 74 1.274 0.838 -5.989 1.00 0.23 N ATOM 1094 CA LEU A 74 1.713 1.269 -4.669 1.00 0.26 C ATOM 1095 C LEU A 74 2.844 0.343 -4.200 1.00 0.25 C ATOM 1096 O LEU A 74 3.889 0.807 -3.739 1.00 0.28 O ATOM 1097 CB LEU A 74 0.493 1.244 -3.696 1.00 0.28 C ATOM 1098 CG LEU A 74 0.593 1.985 -2.328 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.592 1.348 -1.371 1.00 1.01 C ATOM 1100 CD2 LEU A 74 0.914 3.458 -2.537 1.00 1.11 C ATOM 0 H LEU A 74 0.337 0.436 -6.004 1.00 0.23 H new ATOM 0 HA LEU A 74 2.099 2.288 -4.694 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.361 1.658 -4.231 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.262 0.199 -3.487 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.386 1.894 -1.857 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.613 1.912 -0.438 1.00 1.01 H new ATOM 0 HD12 LEU A 74 1.295 0.319 -1.166 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.584 1.356 -1.822 1.00 1.01 H new ATOM 0 HD21 LEU A 74 0.979 3.957 -1.570 1.00 1.11 H new ATOM 0 HD22 LEU A 74 1.866 3.552 -3.059 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.127 3.921 -3.132 1.00 1.11 H new ATOM 1112 N LEU A 75 2.627 -0.957 -4.344 1.00 0.24 N ATOM 1113 CA LEU A 75 3.623 -1.968 -3.996 1.00 0.28 C ATOM 1114 C LEU A 75 4.906 -1.745 -4.802 1.00 0.28 C ATOM 1115 O LEU A 75 6.023 -1.782 -4.261 1.00 0.30 O ATOM 1116 CB LEU A 75 3.066 -3.368 -4.271 1.00 0.32 C ATOM 1117 CG LEU A 75 3.949 -4.539 -3.848 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.182 -4.513 -2.346 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.319 -5.855 -4.270 1.00 0.48 C ATOM 0 H LEU A 75 1.755 -1.344 -4.706 1.00 0.24 H new ATOM 0 HA LEU A 75 3.856 -1.882 -2.935 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.106 -3.461 -3.762 1.00 0.32 H new ATOM 0 HB3 LEU A 75 2.870 -3.455 -5.340 1.00 0.32 H new ATOM 0 HG LEU A 75 4.914 -4.445 -4.346 1.00 0.39 H new ATOM 0 HD11 LEU A 75 4.813 -5.355 -2.061 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.674 -3.580 -2.070 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.226 -4.585 -1.828 1.00 0.46 H new ATOM 0 HD21 LEU A 75 3.960 -6.681 -3.962 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.342 -5.958 -3.798 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.202 -5.872 -5.354 1.00 0.48 H new ATOM 1131 N ASP A 76 4.715 -1.484 -6.085 1.00 0.28 N ATOM 1132 CA ASP A 76 5.793 -1.224 -7.043 1.00 0.33 C ATOM 1133 C ASP A 76 6.625 -0.003 -6.631 1.00 0.30 C ATOM 1134 O ASP A 76 7.863 -0.006 -6.761 1.00 0.32 O ATOM 1135 CB ASP A 76 5.187 -1.024 -8.432 1.00 0.43 C ATOM 1136 CG ASP A 76 6.194 -0.754 -9.509 1.00 0.58 C ATOM 1137 OD1 ASP A 76 6.851 -1.688 -9.957 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.385 0.419 -9.878 1.00 0.68 O ATOM 0 H ASP A 76 3.787 -1.445 -6.505 1.00 0.28 H new ATOM 0 HA ASP A 76 6.467 -2.081 -7.059 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.616 -1.914 -8.699 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.482 -0.193 -8.392 1.00 0.43 H new ATOM 1143 N LEU A 77 5.944 1.019 -6.105 1.00 0.29 N ATOM 1144 CA LEU A 77 6.593 2.232 -5.583 1.00 0.30 C ATOM 1145 C LEU A 77 7.510 1.857 -4.430 1.00 0.28 C ATOM 1146 O LEU A 77 8.691 2.201 -4.417 1.00 0.35 O ATOM 1147 CB LEU A 77 5.537 3.221 -5.066 1.00 0.35 C ATOM 1148 CG LEU A 77 4.538 3.760 -6.072 1.00 0.41 C ATOM 1149 CD1 LEU A 77 3.477 4.564 -5.355 1.00 0.49 C ATOM 1150 CD2 LEU A 77 5.234 4.609 -7.126 1.00 0.45 C ATOM 0 H LEU A 77 4.927 1.032 -6.028 1.00 0.29 H new ATOM 0 HA LEU A 77 7.164 2.696 -6.387 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.980 2.733 -4.266 1.00 0.35 H new ATOM 0 HB3 LEU A 77 6.058 4.068 -4.620 1.00 0.35 H new ATOM 0 HG LEU A 77 4.064 2.920 -6.581 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.761 4.950 -6.080 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.960 3.926 -4.638 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.945 5.396 -4.829 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.497 4.984 -7.836 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.734 5.449 -6.644 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.970 4.003 -7.654 1.00 0.45 H new ATOM 1162 N ILE A 78 6.952 1.113 -3.480 1.00 0.27 N ATOM 1163 CA ILE A 78 7.682 0.657 -2.300 1.00 0.29 C ATOM 1164 C ILE A 78 8.901 -0.164 -2.738 1.00 0.30 C ATOM 1165 O ILE A 78 10.021 0.088 -2.297 1.00 0.31 O ATOM 1166 CB ILE A 78 6.771 -0.220 -1.388 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.499 0.544 -0.964 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.536 -0.689 -0.156 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.753 1.806 -0.156 1.00 0.38 C ATOM 0 H ILE A 78 5.979 0.808 -3.506 1.00 0.27 H new ATOM 0 HA ILE A 78 8.004 1.531 -1.734 1.00 0.29 H new ATOM 0 HB ILE A 78 6.466 -1.092 -1.967 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.936 0.810 -1.859 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.869 -0.125 -0.378 1.00 0.31 H new ATOM 0 HG21 ILE A 78 6.883 -1.299 0.467 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.398 -1.280 -0.466 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.875 0.177 0.413 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.802 2.274 0.096 1.00 0.38 H new ATOM 0 HD12 ILE A 78 6.286 1.550 0.760 1.00 0.38 H new ATOM 0 HD13 ILE A 78 6.354 2.500 -0.744 1.00 0.38 H new ATOM 1181 N ASN A 79 8.664 -1.142 -3.615 1.00 0.34 N ATOM 1182 CA ASN A 79 9.736 -2.003 -4.139 1.00 0.41 C ATOM 1183 C ASN A 79 10.844 -1.191 -4.787 1.00 0.38 C ATOM 1184 O ASN A 79 12.016 -1.397 -4.489 1.00 0.42 O ATOM 1185 CB ASN A 79 9.221 -3.036 -5.157 1.00 0.53 C ATOM 1186 CG ASN A 79 8.580 -4.293 -4.564 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.690 -5.371 -5.152 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.900 -4.185 -3.452 1.00 0.63 N ATOM 0 H ASN A 79 7.737 -1.361 -3.981 1.00 0.34 H new ATOM 0 HA ASN A 79 10.131 -2.534 -3.273 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.491 -2.549 -5.803 1.00 0.53 H new ATOM 0 HB3 ASN A 79 10.054 -3.340 -5.791 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.445 -5.005 -3.051 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.825 -3.281 -2.986 1.00 0.63 H new ATOM 1195 N GLY A 80 10.464 -0.253 -5.644 1.00 0.38 N ATOM 1196 CA GLY A 80 11.432 0.567 -6.352 1.00 0.42 C ATOM 1197 C GLY A 80 12.244 1.445 -5.425 1.00 0.38 C ATOM 1198 O GLY A 80 13.443 1.645 -5.636 1.00 0.46 O ATOM 0 H GLY A 80 9.491 -0.042 -5.865 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.105 -0.079 -6.916 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.911 1.194 -7.075 1.00 0.42 H new ATOM 1202 N ALA A 81 11.601 1.947 -4.392 1.00 0.31 N ATOM 1203 CA ALA A 81 12.256 2.793 -3.416 1.00 0.32 C ATOM 1204 C ALA A 81 13.248 1.983 -2.589 1.00 0.33 C ATOM 1205 O ALA A 81 14.394 2.386 -2.400 1.00 0.45 O ATOM 1206 CB ALA A 81 11.218 3.437 -2.517 1.00 0.33 C ATOM 0 H ALA A 81 10.612 1.781 -4.205 1.00 0.31 H new ATOM 0 HA ALA A 81 12.806 3.575 -3.938 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.715 4.073 -1.784 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.539 4.040 -3.119 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.653 2.661 -2.000 1.00 0.33 H new ATOM 1212 N LEU A 82 12.816 0.816 -2.146 1.00 0.29 N ATOM 1213 CA LEU A 82 13.653 -0.073 -1.349 1.00 0.36 C ATOM 1214 C LEU A 82 14.809 -0.637 -2.160 1.00 0.46 C ATOM 1215 O LEU A 82 15.890 -0.911 -1.623 1.00 0.61 O ATOM 1216 CB LEU A 82 12.809 -1.180 -0.715 1.00 0.42 C ATOM 1217 CG LEU A 82 11.869 -0.703 0.392 1.00 0.55 C ATOM 1218 CD1 LEU A 82 10.918 -1.802 0.814 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.683 -0.236 1.585 1.00 0.67 C ATOM 0 H LEU A 82 11.879 0.456 -2.326 1.00 0.29 H new ATOM 0 HA LEU A 82 14.095 0.514 -0.544 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.218 -1.661 -1.494 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.476 -1.939 -0.306 1.00 0.42 H new ATOM 0 HG LEU A 82 11.276 0.126 0.006 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.262 -1.433 1.602 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.318 -2.112 -0.041 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.488 -2.654 1.185 1.00 0.74 H new ATOM 0 HD21 LEU A 82 12.011 0.104 2.373 1.00 0.67 H new ATOM 0 HD22 LEU A 82 13.290 -1.061 1.957 1.00 0.67 H new ATOM 0 HD23 LEU A 82 13.333 0.585 1.283 1.00 0.67 H new ATOM 1231 N ALA A 83 14.594 -0.808 -3.450 1.00 0.54 N ATOM 1232 CA ALA A 83 15.643 -1.256 -4.359 1.00 0.69 C ATOM 1233 C ALA A 83 16.750 -0.211 -4.443 1.00 0.73 C ATOM 1234 O ALA A 83 17.931 -0.542 -4.633 1.00 0.84 O ATOM 1235 CB ALA A 83 15.076 -1.538 -5.738 1.00 0.88 C ATOM 0 H ALA A 83 13.694 -0.643 -3.900 1.00 0.54 H new ATOM 0 HA ALA A 83 16.064 -2.182 -3.968 1.00 0.69 H new ATOM 0 HB1 ALA A 83 15.876 -1.871 -6.399 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.317 -2.317 -5.667 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.627 -0.629 -6.140 1.00 0.88 H new ATOM 1241 N GLU A 84 16.373 1.034 -4.212 1.00 0.82 N ATOM 1242 CA GLU A 84 17.274 2.155 -4.322 1.00 1.07 C ATOM 1243 C GLU A 84 17.972 2.435 -2.965 1.00 1.53 C ATOM 1244 O GLU A 84 18.691 3.411 -2.807 1.00 1.82 O ATOM 1245 CB GLU A 84 16.487 3.377 -4.834 1.00 1.50 C ATOM 1246 CG GLU A 84 17.345 4.529 -5.320 1.00 2.18 C ATOM 1247 CD GLU A 84 18.317 4.090 -6.379 1.00 2.92 C ATOM 1248 OE1 GLU A 84 17.890 3.798 -7.510 1.00 3.64 O ATOM 1249 OE2 GLU A 84 19.546 4.068 -6.118 1.00 3.21 O ATOM 0 H GLU A 84 15.424 1.292 -3.941 1.00 0.82 H new ATOM 0 HA GLU A 84 18.065 1.928 -5.036 1.00 1.07 H new ATOM 0 HB2 GLU A 84 15.837 3.057 -5.649 1.00 1.50 H new ATOM 0 HB3 GLU A 84 15.841 3.737 -4.033 1.00 1.50 H new ATOM 0 HG2 GLU A 84 16.705 5.317 -5.717 1.00 2.18 H new ATOM 0 HG3 GLU A 84 17.891 4.956 -4.479 1.00 2.18 H new ATOM 1256 N ALA A 85 17.794 1.534 -2.008 1.00 2.09 N ATOM 1257 CA ALA A 85 18.445 1.656 -0.693 1.00 2.99 C ATOM 1258 C ALA A 85 19.869 1.080 -0.742 1.00 3.79 C ATOM 1259 O ALA A 85 20.529 0.865 0.293 1.00 4.38 O ATOM 1260 CB ALA A 85 17.625 0.947 0.373 1.00 3.58 C ATOM 0 H ALA A 85 17.205 0.707 -2.109 1.00 2.09 H new ATOM 0 HA ALA A 85 18.508 2.714 -0.437 1.00 2.99 H new ATOM 0 HB1 ALA A 85 18.120 1.047 1.339 1.00 3.58 H new ATOM 0 HB2 ALA A 85 16.632 1.394 0.426 1.00 3.58 H new ATOM 0 HB3 ALA A 85 17.534 -0.109 0.119 1.00 3.58 H new ATOM 1266 N ALA A 86 20.333 0.847 -1.931 1.00 4.29 N ATOM 1267 CA ALA A 86 21.637 0.333 -2.169 1.00 5.37 C ATOM 1268 C ALA A 86 22.430 1.387 -2.891 1.00 6.06 C ATOM 1269 O ALA A 86 23.255 2.055 -2.247 1.00 6.58 O ATOM 1270 CB ALA A 86 21.564 -0.939 -2.976 1.00 6.00 C ATOM 1271 OXT ALA A 86 22.163 1.625 -4.096 1.00 6.33 O ATOM 0 H ALA A 86 19.797 1.015 -2.782 1.00 4.29 H new ATOM 0 HA ALA A 86 22.125 0.089 -1.225 1.00 5.37 H new ATOM 0 HB1 ALA A 86 22.571 -1.319 -3.149 1.00 6.00 H new ATOM 0 HB2 ALA A 86 20.984 -1.683 -2.430 1.00 6.00 H new ATOM 0 HB3 ALA A 86 21.084 -0.736 -3.933 1.00 6.00 H new TER 1277 ALA A 86 HETATM 1278 P24 SXA A 87 -9.816 10.902 -0.278 1.00 1.37 P HETATM 1279 O26 SXA A 87 -10.613 10.277 -1.482 1.00 2.26 O HETATM 1280 O23 SXA A 87 -10.604 11.617 0.857 1.00 1.84 O HETATM 1281 O27 SXA A 87 -8.791 11.902 -0.873 1.00 1.75 O HETATM 1282 C28 SXA A 87 -7.862 12.571 0.049 1.00 2.13 C HETATM 1283 C29 SXA A 87 -6.865 13.456 -0.706 1.00 3.11 C HETATM 1284 C30 SXA A 87 -6.155 12.559 -1.718 1.00 3.58 C HETATM 1285 C31 SXA A 87 -7.611 14.591 -1.428 1.00 3.66 C HETATM 1286 C32 SXA A 87 -5.848 14.072 0.352 1.00 3.95 C HETATM 1287 O33 SXA A 87 -6.552 14.777 1.354 1.00 4.27 O HETATM 1288 C34 SXA A 87 -4.861 15.073 -0.251 1.00 4.82 C HETATM 1289 O35 SXA A 87 -4.910 16.244 0.119 1.00 5.39 O HETATM 1290 N36 SXA A 87 -3.998 14.641 -1.140 1.00 5.21 N HETATM 1291 C37 SXA A 87 -2.988 15.473 -1.793 1.00 6.20 C HETATM 1292 C38 SXA A 87 -2.229 14.733 -2.897 1.00 6.79 C HETATM 1293 C39 SXA A 87 -2.999 14.591 -4.210 1.00 6.69 C HETATM 1294 O40 SXA A 87 -2.748 13.684 -5.012 1.00 7.13 O HETATM 1295 N41 SXA A 87 -3.938 15.492 -4.408 1.00 6.49 N HETATM 1296 C42 SXA A 87 -4.794 15.552 -5.574 1.00 6.81 C HETATM 1297 C43 SXA A 87 -5.645 16.790 -5.529 1.00 6.95 C HETATM 1298 S1 SXA A 87 -6.550 16.787 -4.059 1.00 7.34 S HETATM 1299 C1 SXA A 87 -7.209 18.378 -4.181 1.00 7.74 C HETATM 1300 O1 SXA A 87 -6.918 19.187 -5.098 1.00 7.80 O HETATM 1301 C2 SXA A 87 -8.166 18.751 -3.071 1.00 8.41 C HETATM 0 HO33 SXA A 87 -6.254 15.710 1.368 1.00 4.27 H new HETATM 0 HN41 SXA A 87 -4.072 16.200 -3.686 1.00 6.49 H new HETATM 0 HN36 SXA A 87 -4.034 13.654 -1.394 1.00 5.21 H new HETATM 0 H43A SXA A 87 -5.019 17.681 -5.586 1.00 6.95 H new HETATM 0 H42A SXA A 87 -4.188 15.551 -6.480 1.00 6.81 H new HETATM 0 H38A SXA A 87 -1.295 15.259 -3.093 1.00 6.79 H new HETATM 0 H37A SXA A 87 -3.470 16.354 -2.218 1.00 6.20 H new HETATM 0 H31B SXA A 87 -8.321 14.166 -2.137 1.00 3.66 H new HETATM 0 H31A SXA A 87 -8.146 15.197 -0.697 1.00 3.66 H new HETATM 0 H30B SXA A 87 -5.638 11.756 -1.193 1.00 3.58 H new HETATM 0 H30A SXA A 87 -6.888 12.132 -2.403 1.00 3.58 H new HETATM 0 H28A SXA A 87 -8.425 13.178 0.758 1.00 2.13 H new HETATM 0 H43 SXA A 87 -6.317 16.818 -6.387 1.00 6.95 H new HETATM 0 H42 SXA A 87 -5.429 14.667 -5.614 1.00 6.81 H new HETATM 0 H38 SXA A 87 -1.965 13.739 -2.536 1.00 6.79 H new HETATM 0 H37 SXA A 87 -2.278 15.827 -1.046 1.00 6.20 H new HETATM 0 H32 SXA A 87 -5.298 13.216 0.743 1.00 3.95 H new HETATM 0 H31 SXA A 87 -6.895 15.215 -1.962 1.00 3.66 H new HETATM 0 H30 SXA A 87 -5.432 13.148 -2.282 1.00 3.58 H new HETATM 0 H2B SXA A 87 -9.009 18.060 -3.070 1.00 8.41 H new HETATM 0 H2A SXA A 87 -7.650 18.696 -2.112 1.00 8.41 H new HETATM 0 H28 SXA A 87 -7.321 11.823 0.629 1.00 2.13 H new HETATM 0 H2 SXA A 87 -8.529 19.766 -3.230 1.00 8.41 H new