USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 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 149:sc= 0.952 USER MOD Set 1.2: A 40 TYR OH : rot 133:sc=-0.00192 USER MOD Set 1.3: A 48 THR OG1 : rot 88:sc= 2.12 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.497 (180deg=-0.531) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -64:sc= 1.24 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00277 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.219 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.372 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 151:sc= -0.389 (180deg=-1.48!) 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 172:sc= -2.09 USER MOD Single : A 79 ASN : amide:sc= -0.679! C(o=-0.68!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.711 -9.959 -0.253 1.00 4.11 N ATOM 2 CA MET A 1 20.656 -8.889 0.049 1.00 3.57 C ATOM 3 C MET A 1 19.886 -7.589 0.148 1.00 2.82 C ATOM 4 O MET A 1 20.454 -6.512 -0.014 1.00 3.20 O ATOM 5 CB MET A 1 21.682 -8.759 -1.089 1.00 4.13 C ATOM 6 CG MET A 1 22.405 -10.041 -1.450 1.00 4.73 C ATOM 7 SD MET A 1 23.308 -10.759 -0.078 1.00 5.41 S ATOM 8 CE MET A 1 23.977 -12.222 -0.878 1.00 6.05 C ATOM 0 H1 MET A 1 20.225 -10.857 -0.359 1.00 4.11 H new ATOM 0 H2 MET A 1 19.023 -10.043 0.522 1.00 4.11 H new ATOM 0 H3 MET A 1 19.210 -9.740 -1.138 1.00 4.11 H new ATOM 0 HA MET A 1 21.174 -9.111 0.982 1.00 3.57 H new ATOM 0 HB2 MET A 1 21.172 -8.385 -1.977 1.00 4.13 H new ATOM 0 HB3 MET A 1 22.422 -8.010 -0.807 1.00 4.13 H new ATOM 0 HG2 MET A 1 21.680 -10.767 -1.818 1.00 4.73 H new ATOM 0 HG3 MET A 1 23.098 -9.841 -2.267 1.00 4.73 H new ATOM 0 HE1 MET A 1 24.571 -12.789 -0.161 1.00 6.05 H new ATOM 0 HE2 MET A 1 23.159 -12.843 -1.244 1.00 6.05 H new ATOM 0 HE3 MET A 1 24.608 -11.923 -1.715 1.00 6.05 H new ATOM 20 N ALA A 2 18.597 -7.674 0.439 1.00 2.27 N ATOM 21 CA ALA A 2 17.776 -6.512 0.403 1.00 2.03 C ATOM 22 C ALA A 2 17.022 -6.300 1.694 1.00 1.61 C ATOM 23 O ALA A 2 16.192 -7.127 2.104 1.00 2.08 O ATOM 24 CB ALA A 2 16.800 -6.593 -0.766 1.00 2.71 C ATOM 0 H ALA A 2 18.116 -8.535 0.699 1.00 2.27 H new ATOM 0 HA ALA A 2 18.437 -5.655 0.269 1.00 2.03 H new ATOM 0 HB1 ALA A 2 16.177 -5.698 -0.783 1.00 2.71 H new ATOM 0 HB2 ALA A 2 17.357 -6.665 -1.700 1.00 2.71 H new ATOM 0 HB3 ALA A 2 16.167 -7.473 -0.651 1.00 2.71 H new ATOM 30 N THR A 3 17.294 -5.195 2.325 1.00 1.31 N ATOM 31 CA THR A 3 16.548 -4.746 3.461 1.00 1.19 C ATOM 32 C THR A 3 15.420 -3.869 2.883 1.00 0.95 C ATOM 33 O THR A 3 15.329 -2.656 3.102 1.00 1.12 O ATOM 34 CB THR A 3 17.460 -3.948 4.408 1.00 1.56 C ATOM 35 OG1 THR A 3 18.645 -4.737 4.654 1.00 2.44 O ATOM 36 CG2 THR A 3 16.765 -3.669 5.743 1.00 2.02 C ATOM 0 H THR A 3 18.055 -4.570 2.058 1.00 1.31 H new ATOM 0 HA THR A 3 16.142 -5.569 4.049 1.00 1.19 H new ATOM 0 HB THR A 3 17.706 -2.992 3.946 1.00 1.56 H new ATOM 0 HG1 THR A 3 19.245 -4.248 5.255 1.00 2.44 H new ATOM 0 HG21 THR A 3 17.435 -3.104 6.391 1.00 2.02 H new ATOM 0 HG22 THR A 3 15.857 -3.092 5.567 1.00 2.02 H new ATOM 0 HG23 THR A 3 16.507 -4.613 6.223 1.00 2.02 H new ATOM 44 N LEU A 4 14.617 -4.526 2.087 1.00 0.80 N ATOM 45 CA LEU A 4 13.599 -3.937 1.287 1.00 0.65 C ATOM 46 C LEU A 4 12.298 -4.586 1.710 1.00 0.68 C ATOM 47 O LEU A 4 12.313 -5.542 2.507 1.00 0.86 O ATOM 48 CB LEU A 4 13.931 -4.302 -0.168 1.00 0.70 C ATOM 49 CG LEU A 4 13.337 -3.450 -1.267 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.904 -2.036 -1.213 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.598 -4.081 -2.623 1.00 1.01 C ATOM 0 H LEU A 4 14.666 -5.539 1.981 1.00 0.80 H new ATOM 0 HA LEU A 4 13.526 -2.855 1.392 1.00 0.65 H new ATOM 0 HB2 LEU A 4 15.015 -4.281 -0.278 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.613 -5.331 -0.335 1.00 0.70 H new ATOM 0 HG LEU A 4 12.259 -3.391 -1.116 1.00 0.69 H new ATOM 0 HD11 LEU A 4 13.465 -1.437 -2.011 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.667 -1.585 -0.249 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.986 -2.073 -1.340 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.165 -3.457 -3.404 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.673 -4.169 -2.783 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.144 -5.072 -2.657 1.00 1.01 H new ATOM 63 N LEU A 5 11.200 -4.107 1.224 1.00 0.60 N ATOM 64 CA LEU A 5 9.939 -4.679 1.597 1.00 0.64 C ATOM 65 C LEU A 5 9.517 -5.722 0.595 1.00 0.59 C ATOM 66 O LEU A 5 9.513 -5.478 -0.612 1.00 0.61 O ATOM 67 CB LEU A 5 8.857 -3.611 1.724 1.00 0.69 C ATOM 68 CG LEU A 5 9.095 -2.525 2.770 1.00 0.90 C ATOM 69 CD1 LEU A 5 7.888 -1.633 2.861 1.00 1.61 C ATOM 70 CD2 LEU A 5 9.415 -3.131 4.121 1.00 1.54 C ATOM 0 H LEU A 5 11.145 -3.325 0.571 1.00 0.60 H new ATOM 0 HA LEU A 5 10.066 -5.150 2.572 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.736 -3.130 0.753 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.914 -4.106 1.954 1.00 0.69 H new ATOM 0 HG LEU A 5 9.954 -1.929 2.463 1.00 0.90 H new ATOM 0 HD11 LEU A 5 8.063 -0.860 3.609 1.00 1.61 H new ATOM 0 HD12 LEU A 5 7.706 -1.167 1.893 1.00 1.61 H new ATOM 0 HD13 LEU A 5 7.019 -2.225 3.148 1.00 1.61 H new ATOM 0 HD21 LEU A 5 9.580 -2.335 4.847 1.00 1.54 H new ATOM 0 HD22 LEU A 5 8.581 -3.753 4.447 1.00 1.54 H new ATOM 0 HD23 LEU A 5 10.314 -3.742 4.042 1.00 1.54 H new ATOM 82 N THR A 6 9.207 -6.873 1.076 1.00 0.61 N ATOM 83 CA THR A 6 8.737 -7.923 0.244 1.00 0.63 C ATOM 84 C THR A 6 7.212 -8.049 0.386 1.00 0.57 C ATOM 85 O THR A 6 6.577 -7.193 1.038 1.00 0.59 O ATOM 86 CB THR A 6 9.464 -9.263 0.516 1.00 0.79 C ATOM 87 OG1 THR A 6 9.263 -9.684 1.875 1.00 0.95 O ATOM 88 CG2 THR A 6 10.956 -9.137 0.248 1.00 0.97 C ATOM 0 H THR A 6 9.273 -7.115 2.065 1.00 0.61 H new ATOM 0 HA THR A 6 8.969 -7.671 -0.791 1.00 0.63 H new ATOM 0 HB THR A 6 9.042 -10.007 -0.159 1.00 0.79 H new ATOM 0 HG1 THR A 6 9.681 -9.039 2.483 1.00 0.95 H new ATOM 0 HG21 THR A 6 11.443 -10.092 0.447 1.00 0.97 H new ATOM 0 HG22 THR A 6 11.116 -8.857 -0.793 1.00 0.97 H new ATOM 0 HG23 THR A 6 11.379 -8.371 0.898 1.00 0.97 H new ATOM 96 N THR A 7 6.632 -9.087 -0.188 1.00 0.60 N ATOM 97 CA THR A 7 5.203 -9.284 -0.168 1.00 0.59 C ATOM 98 C THR A 7 4.653 -9.366 1.279 1.00 0.53 C ATOM 99 O THR A 7 3.692 -8.652 1.631 1.00 0.56 O ATOM 100 CB THR A 7 4.857 -10.558 -0.947 1.00 0.69 C ATOM 101 OG1 THR A 7 5.543 -10.516 -2.216 1.00 0.90 O ATOM 102 CG2 THR A 7 3.359 -10.636 -1.189 1.00 0.81 C ATOM 0 H THR A 7 7.145 -9.817 -0.682 1.00 0.60 H new ATOM 0 HA THR A 7 4.731 -8.423 -0.642 1.00 0.59 H new ATOM 0 HB THR A 7 5.165 -11.432 -0.374 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.334 -11.325 -2.728 1.00 0.90 H new ATOM 0 HG21 THR A 7 3.127 -11.545 -1.743 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.836 -10.650 -0.233 1.00 0.81 H new ATOM 0 HG23 THR A 7 3.038 -9.768 -1.765 1.00 0.81 H new ATOM 110 N ASP A 8 5.267 -10.200 2.121 1.00 0.54 N ATOM 111 CA ASP A 8 4.771 -10.380 3.499 1.00 0.54 C ATOM 112 C ASP A 8 4.963 -9.111 4.320 1.00 0.52 C ATOM 113 O ASP A 8 4.157 -8.823 5.196 1.00 0.54 O ATOM 114 CB ASP A 8 5.410 -11.589 4.226 1.00 0.63 C ATOM 115 CG ASP A 8 6.790 -11.314 4.809 1.00 1.48 C ATOM 116 OD1 ASP A 8 7.783 -11.413 4.086 1.00 2.26 O ATOM 117 OD2 ASP A 8 6.891 -10.999 6.019 1.00 1.98 O ATOM 0 H ASP A 8 6.091 -10.753 1.886 1.00 0.54 H new ATOM 0 HA ASP A 8 3.706 -10.592 3.408 1.00 0.54 H new ATOM 0 HB2 ASP A 8 4.746 -11.907 5.030 1.00 0.63 H new ATOM 0 HB3 ASP A 8 5.484 -12.421 3.526 1.00 0.63 H new ATOM 122 N ASP A 9 6.018 -8.338 4.008 1.00 0.57 N ATOM 123 CA ASP A 9 6.287 -7.060 4.707 1.00 0.64 C ATOM 124 C ASP A 9 5.137 -6.114 4.488 1.00 0.59 C ATOM 125 O ASP A 9 4.626 -5.493 5.418 1.00 0.63 O ATOM 126 CB ASP A 9 7.554 -6.351 4.187 1.00 0.79 C ATOM 127 CG ASP A 9 8.869 -7.026 4.497 1.00 1.60 C ATOM 128 OD1 ASP A 9 9.400 -6.840 5.615 1.00 1.70 O ATOM 129 OD2 ASP A 9 9.362 -7.809 3.662 1.00 2.47 O ATOM 0 H ASP A 9 6.696 -8.570 3.282 1.00 0.57 H new ATOM 0 HA ASP A 9 6.424 -7.309 5.759 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.469 -6.246 3.105 1.00 0.79 H new ATOM 0 HB3 ASP A 9 7.579 -5.344 4.604 1.00 0.79 H new ATOM 134 N LEU A 10 4.734 -6.023 3.242 1.00 0.54 N ATOM 135 CA LEU A 10 3.668 -5.151 2.817 1.00 0.54 C ATOM 136 C LEU A 10 2.338 -5.576 3.419 1.00 0.53 C ATOM 137 O LEU A 10 1.564 -4.736 3.878 1.00 0.59 O ATOM 138 CB LEU A 10 3.560 -5.188 1.302 1.00 0.55 C ATOM 139 CG LEU A 10 2.483 -4.306 0.687 1.00 0.59 C ATOM 140 CD1 LEU A 10 2.847 -2.827 0.797 1.00 0.70 C ATOM 141 CD2 LEU A 10 2.231 -4.709 -0.740 1.00 0.65 C ATOM 0 H LEU A 10 5.147 -6.564 2.482 1.00 0.54 H new ATOM 0 HA LEU A 10 3.897 -4.141 3.157 1.00 0.54 H new ATOM 0 HB2 LEU A 10 4.523 -4.897 0.882 1.00 0.55 H new ATOM 0 HB3 LEU A 10 3.376 -6.218 0.996 1.00 0.55 H new ATOM 0 HG LEU A 10 1.559 -4.450 1.248 1.00 0.59 H new ATOM 0 HD11 LEU A 10 2.058 -2.224 0.349 1.00 0.70 H new ATOM 0 HD12 LEU A 10 2.958 -2.557 1.847 1.00 0.70 H new ATOM 0 HD13 LEU A 10 3.785 -2.643 0.274 1.00 0.70 H new ATOM 0 HD21 LEU A 10 1.458 -4.070 -1.168 1.00 0.65 H new ATOM 0 HD22 LEU A 10 3.150 -4.602 -1.316 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.901 -5.748 -0.772 1.00 0.65 H new ATOM 153 N ARG A 11 2.093 -6.890 3.426 1.00 0.49 N ATOM 154 CA ARG A 11 0.820 -7.457 3.888 1.00 0.50 C ATOM 155 C ARG A 11 0.503 -6.979 5.302 1.00 0.54 C ATOM 156 O ARG A 11 -0.640 -6.665 5.604 1.00 0.63 O ATOM 157 CB ARG A 11 0.860 -8.986 3.892 1.00 0.51 C ATOM 158 CG ARG A 11 -0.524 -9.618 3.947 1.00 0.61 C ATOM 159 CD ARG A 11 -0.485 -11.084 4.327 1.00 0.72 C ATOM 160 NE ARG A 11 0.496 -11.874 3.570 1.00 0.96 N ATOM 161 CZ ARG A 11 1.267 -12.842 4.113 1.00 1.24 C ATOM 162 NH1 ARG A 11 1.189 -13.106 5.414 1.00 1.65 N ATOM 163 NH2 ARG A 11 2.066 -13.565 3.347 1.00 1.80 N ATOM 0 H ARG A 11 2.767 -7.589 3.113 1.00 0.49 H new ATOM 0 HA ARG A 11 0.048 -7.119 3.196 1.00 0.50 H new ATOM 0 HB2 ARG A 11 1.376 -9.333 2.997 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.443 -9.326 4.748 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.137 -9.077 4.667 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.006 -9.512 2.975 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -0.260 -11.167 5.390 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -1.475 -11.514 4.177 1.00 0.72 H new ATOM 0 HE ARG A 11 0.601 -11.680 2.574 1.00 0.96 H new ATOM 0 HH11 ARG A 11 0.546 -12.577 6.004 1.00 1.65 H new ATOM 0 HH12 ARG A 11 1.772 -13.837 5.822 1.00 1.65 H new ATOM 0 HH21 ARG A 11 2.102 -13.393 2.342 1.00 1.80 H new ATOM 0 HH22 ARG A 11 2.646 -14.295 3.761 1.00 1.80 H new ATOM 177 N ARG A 12 1.540 -6.881 6.127 1.00 0.54 N ATOM 178 CA ARG A 12 1.421 -6.471 7.531 1.00 0.60 C ATOM 179 C ARG A 12 0.739 -5.110 7.630 1.00 0.58 C ATOM 180 O ARG A 12 -0.219 -4.939 8.386 1.00 0.66 O ATOM 181 CB ARG A 12 2.808 -6.381 8.169 1.00 0.68 C ATOM 182 CG ARG A 12 3.660 -7.619 7.984 1.00 0.80 C ATOM 183 CD ARG A 12 5.052 -7.415 8.537 1.00 0.96 C ATOM 184 NE ARG A 12 6.006 -8.409 8.025 1.00 1.50 N ATOM 185 CZ ARG A 12 7.336 -8.281 8.093 1.00 2.02 C ATOM 186 NH1 ARG A 12 7.878 -7.360 8.890 1.00 2.23 N ATOM 187 NH2 ARG A 12 8.112 -9.117 7.418 1.00 2.93 N ATOM 0 H ARG A 12 2.498 -7.085 5.842 1.00 0.54 H new ATOM 0 HA ARG A 12 0.822 -7.215 8.057 1.00 0.60 H new ATOM 0 HB2 ARG A 12 3.335 -5.525 7.747 1.00 0.68 H new ATOM 0 HB3 ARG A 12 2.693 -6.189 9.236 1.00 0.68 H new ATOM 0 HG2 ARG A 12 3.188 -8.466 8.483 1.00 0.80 H new ATOM 0 HG3 ARG A 12 3.720 -7.867 6.924 1.00 0.80 H new ATOM 0 HD2 ARG A 12 5.400 -6.415 8.280 1.00 0.96 H new ATOM 0 HD3 ARG A 12 5.020 -7.472 9.625 1.00 0.96 H new ATOM 0 HE ARG A 12 5.630 -9.251 7.590 1.00 1.50 H new ATOM 0 HH11 ARG A 12 7.279 -6.752 9.448 1.00 2.23 H new ATOM 0 HH12 ARG A 12 8.892 -7.263 8.941 1.00 2.23 H new ATOM 0 HH21 ARG A 12 7.695 -9.854 6.850 1.00 2.93 H new ATOM 0 HH22 ARG A 12 9.127 -9.023 7.467 1.00 2.93 H new ATOM 201 N ALA A 13 1.192 -4.175 6.803 1.00 0.54 N ATOM 202 CA ALA A 13 0.683 -2.814 6.820 1.00 0.58 C ATOM 203 C ALA A 13 -0.743 -2.752 6.307 1.00 0.56 C ATOM 204 O ALA A 13 -1.544 -1.942 6.778 1.00 0.65 O ATOM 205 CB ALA A 13 1.577 -1.902 6.018 1.00 0.66 C ATOM 0 H ALA A 13 1.919 -4.340 6.106 1.00 0.54 H new ATOM 0 HA ALA A 13 0.680 -2.472 7.855 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.179 -0.888 6.043 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.580 -1.909 6.444 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.619 -2.250 4.986 1.00 0.66 H new ATOM 211 N LEU A 14 -1.063 -3.602 5.345 1.00 0.53 N ATOM 212 CA LEU A 14 -2.391 -3.692 4.835 1.00 0.59 C ATOM 213 C LEU A 14 -3.337 -4.241 5.901 1.00 0.75 C ATOM 214 O LEU A 14 -4.460 -3.782 6.030 1.00 1.02 O ATOM 215 CB LEU A 14 -2.422 -4.534 3.560 1.00 0.54 C ATOM 216 CG LEU A 14 -2.152 -3.821 2.216 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.206 -2.760 1.946 1.00 0.62 C ATOM 218 CD2 LEU A 14 -0.761 -3.210 2.158 1.00 1.06 C ATOM 0 H LEU A 14 -0.400 -4.241 4.907 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.736 -2.692 4.574 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.688 -5.332 3.668 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -3.401 -5.008 3.496 1.00 0.54 H new ATOM 0 HG LEU A 14 -2.208 -4.582 1.437 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -2.995 -2.272 0.995 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -4.190 -3.227 1.904 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -3.190 -2.019 2.746 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -0.619 -2.720 1.195 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -0.652 -2.477 2.957 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -0.014 -3.994 2.281 1.00 1.06 H new ATOM 230 N VAL A 15 -2.850 -5.189 6.693 1.00 0.71 N ATOM 231 CA VAL A 15 -3.629 -5.741 7.799 1.00 0.83 C ATOM 232 C VAL A 15 -3.907 -4.636 8.833 1.00 0.85 C ATOM 233 O VAL A 15 -5.020 -4.520 9.337 1.00 0.98 O ATOM 234 CB VAL A 15 -2.912 -6.960 8.459 1.00 0.89 C ATOM 235 CG1 VAL A 15 -3.694 -7.473 9.663 1.00 1.02 C ATOM 236 CG2 VAL A 15 -2.745 -8.086 7.444 1.00 0.91 C ATOM 0 H VAL A 15 -1.919 -5.593 6.591 1.00 0.71 H new ATOM 0 HA VAL A 15 -4.576 -6.108 7.405 1.00 0.83 H new ATOM 0 HB VAL A 15 -1.931 -6.626 8.798 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -3.170 -8.322 10.102 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -3.783 -6.679 10.404 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -4.689 -7.785 9.345 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -2.244 -8.931 7.917 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -3.725 -8.400 7.085 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -2.147 -7.733 6.604 1.00 0.91 H new ATOM 246 N GLU A 16 -2.882 -3.816 9.126 1.00 0.81 N ATOM 247 CA GLU A 16 -3.045 -2.652 10.007 1.00 0.87 C ATOM 248 C GLU A 16 -4.119 -1.703 9.469 1.00 0.89 C ATOM 249 O GLU A 16 -4.886 -1.117 10.238 1.00 1.05 O ATOM 250 CB GLU A 16 -1.744 -1.875 10.115 1.00 0.91 C ATOM 251 CG GLU A 16 -0.598 -2.665 10.677 1.00 1.00 C ATOM 252 CD GLU A 16 0.643 -1.824 10.834 1.00 1.30 C ATOM 253 OE1 GLU A 16 0.568 -0.716 11.437 1.00 1.90 O ATOM 254 OE2 GLU A 16 1.709 -2.227 10.354 1.00 1.91 O ATOM 0 H GLU A 16 -1.936 -3.940 8.766 1.00 0.81 H new ATOM 0 HA GLU A 16 -3.341 -3.029 10.986 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -1.468 -1.511 9.125 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -1.909 -0.999 10.742 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -0.882 -3.077 11.645 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -0.384 -3.509 10.022 1.00 1.00 H new ATOM 261 N SER A 17 -4.142 -1.562 8.164 1.00 0.82 N ATOM 262 CA SER A 17 -5.066 -0.699 7.481 1.00 0.93 C ATOM 263 C SER A 17 -6.500 -1.276 7.509 1.00 1.03 C ATOM 264 O SER A 17 -7.477 -0.538 7.682 1.00 1.22 O ATOM 265 CB SER A 17 -4.573 -0.469 6.035 1.00 0.96 C ATOM 266 OG SER A 17 -5.432 0.375 5.299 1.00 1.58 O ATOM 0 H SER A 17 -3.505 -2.055 7.539 1.00 0.82 H new ATOM 0 HA SER A 17 -5.106 0.261 7.996 1.00 0.93 H new ATOM 0 HB2 SER A 17 -3.574 -0.033 6.060 1.00 0.96 H new ATOM 0 HB3 SER A 17 -4.489 -1.429 5.526 1.00 0.96 H new ATOM 0 HG SER A 17 -4.910 0.877 4.638 1.00 1.58 H new ATOM 272 N ALA A 18 -6.626 -2.579 7.369 1.00 1.04 N ATOM 273 CA ALA A 18 -7.923 -3.208 7.358 1.00 1.24 C ATOM 274 C ALA A 18 -8.444 -3.455 8.760 1.00 1.43 C ATOM 275 O ALA A 18 -8.274 -4.532 9.335 1.00 1.88 O ATOM 276 CB ALA A 18 -7.929 -4.478 6.543 1.00 1.25 C ATOM 0 H ALA A 18 -5.841 -3.222 7.261 1.00 1.04 H new ATOM 0 HA ALA A 18 -8.604 -2.507 6.874 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -8.926 -4.918 6.562 1.00 1.25 H new ATOM 0 HB2 ALA A 18 -7.653 -4.251 5.513 1.00 1.25 H new ATOM 0 HB3 ALA A 18 -7.213 -5.184 6.964 1.00 1.25 H new ATOM 282 N GLY A 19 -9.038 -2.442 9.310 1.00 1.86 N ATOM 283 CA GLY A 19 -9.610 -2.533 10.628 1.00 2.13 C ATOM 284 C GLY A 19 -11.094 -2.757 10.539 1.00 2.09 C ATOM 285 O GLY A 19 -11.575 -3.903 10.606 1.00 2.45 O ATOM 0 H GLY A 19 -9.143 -1.530 8.865 1.00 1.86 H new ATOM 0 HA2 GLY A 19 -9.144 -3.351 11.178 1.00 2.13 H new ATOM 0 HA3 GLY A 19 -9.406 -1.618 11.184 1.00 2.13 H new ATOM 289 N GLU A 20 -11.816 -1.687 10.317 1.00 2.13 N ATOM 290 CA GLU A 20 -13.243 -1.739 10.200 1.00 2.46 C ATOM 291 C GLU A 20 -13.689 -1.152 8.873 1.00 2.48 C ATOM 292 O GLU A 20 -14.179 -0.027 8.773 1.00 3.18 O ATOM 293 CB GLU A 20 -13.968 -1.151 11.420 1.00 3.09 C ATOM 294 CG GLU A 20 -13.472 0.207 11.880 1.00 3.54 C ATOM 295 CD GLU A 20 -14.287 0.729 13.025 1.00 4.23 C ATOM 296 OE1 GLU A 20 -14.070 0.288 14.179 1.00 4.67 O ATOM 297 OE2 GLU A 20 -15.199 1.570 12.788 1.00 4.69 O ATOM 0 H GLU A 20 -11.423 -0.752 10.212 1.00 2.13 H new ATOM 0 HA GLU A 20 -13.542 -2.787 10.198 1.00 2.46 H new ATOM 0 HB2 GLU A 20 -15.030 -1.071 11.187 1.00 3.09 H new ATOM 0 HB3 GLU A 20 -13.876 -1.853 12.249 1.00 3.09 H new ATOM 0 HG2 GLU A 20 -12.427 0.132 12.180 1.00 3.54 H new ATOM 0 HG3 GLU A 20 -13.515 0.912 11.050 1.00 3.54 H new ATOM 304 N THR A 21 -13.400 -1.914 7.874 1.00 2.07 N ATOM 305 CA THR A 21 -13.701 -1.649 6.502 1.00 2.31 C ATOM 306 C THR A 21 -14.028 -3.034 5.914 1.00 2.42 C ATOM 307 O THR A 21 -14.762 -3.797 6.571 1.00 2.89 O ATOM 308 CB THR A 21 -12.470 -0.947 5.807 1.00 2.31 C ATOM 309 OG1 THR A 21 -12.703 -0.754 4.415 1.00 2.58 O ATOM 310 CG2 THR A 21 -11.161 -1.723 6.010 1.00 2.00 C ATOM 0 H THR A 21 -12.913 -2.801 8.000 1.00 2.07 H new ATOM 0 HA THR A 21 -14.535 -0.963 6.354 1.00 2.31 H new ATOM 0 HB THR A 21 -12.362 0.024 6.289 1.00 2.31 H new ATOM 0 HG1 THR A 21 -11.925 -0.316 4.011 1.00 2.58 H new ATOM 0 HG21 THR A 21 -10.346 -1.198 5.512 1.00 2.00 H new ATOM 0 HG22 THR A 21 -10.946 -1.801 7.076 1.00 2.00 H new ATOM 0 HG23 THR A 21 -11.261 -2.722 5.586 1.00 2.00 H new ATOM 318 N ASP A 22 -13.527 -3.400 4.757 1.00 2.59 N ATOM 319 CA ASP A 22 -13.713 -4.769 4.330 1.00 2.92 C ATOM 320 C ASP A 22 -12.537 -5.572 4.809 1.00 2.46 C ATOM 321 O ASP A 22 -11.469 -5.586 4.192 1.00 3.05 O ATOM 322 CB ASP A 22 -13.884 -4.947 2.832 1.00 3.98 C ATOM 323 CG ASP A 22 -14.376 -6.351 2.523 1.00 4.45 C ATOM 324 OD1 ASP A 22 -15.620 -6.561 2.546 1.00 4.62 O ATOM 325 OD2 ASP A 22 -13.571 -7.271 2.326 1.00 4.98 O ATOM 0 H ASP A 22 -13.008 -2.799 4.117 1.00 2.59 H new ATOM 0 HA ASP A 22 -14.650 -5.115 4.767 1.00 2.92 H new ATOM 0 HB2 ASP A 22 -14.593 -4.213 2.450 1.00 3.98 H new ATOM 0 HB3 ASP A 22 -12.935 -4.767 2.326 1.00 3.98 H new ATOM 330 N GLY A 23 -12.702 -6.186 5.943 1.00 1.97 N ATOM 331 CA GLY A 23 -11.647 -6.938 6.515 1.00 2.01 C ATOM 332 C GLY A 23 -11.652 -8.345 6.009 1.00 1.57 C ATOM 333 O GLY A 23 -12.063 -9.267 6.722 1.00 1.97 O ATOM 0 H GLY A 23 -13.566 -6.175 6.486 1.00 1.97 H new ATOM 0 HA2 GLY A 23 -10.692 -6.467 6.280 1.00 2.01 H new ATOM 0 HA3 GLY A 23 -11.744 -6.938 7.601 1.00 2.01 H new ATOM 337 N THR A 24 -11.254 -8.505 4.772 1.00 1.42 N ATOM 338 CA THR A 24 -11.174 -9.799 4.168 1.00 1.24 C ATOM 339 C THR A 24 -9.859 -10.496 4.593 1.00 1.16 C ATOM 340 O THR A 24 -9.144 -10.009 5.480 1.00 1.49 O ATOM 341 CB THR A 24 -11.338 -9.714 2.605 1.00 1.62 C ATOM 342 OG1 THR A 24 -11.387 -11.030 2.011 1.00 2.43 O ATOM 343 CG2 THR A 24 -10.211 -8.906 1.965 1.00 1.98 C ATOM 0 H THR A 24 -10.977 -7.737 4.160 1.00 1.42 H new ATOM 0 HA THR A 24 -12.003 -10.410 4.524 1.00 1.24 H new ATOM 0 HB THR A 24 -12.283 -9.205 2.415 1.00 1.62 H new ATOM 0 HG1 THR A 24 -11.491 -10.947 1.040 1.00 2.43 H new ATOM 0 HG21 THR A 24 -10.358 -8.869 0.886 1.00 1.98 H new ATOM 0 HG22 THR A 24 -10.216 -7.893 2.367 1.00 1.98 H new ATOM 0 HG23 THR A 24 -9.254 -9.379 2.185 1.00 1.98 H new ATOM 351 N ASP A 25 -9.528 -11.585 3.961 1.00 1.06 N ATOM 352 CA ASP A 25 -8.350 -12.339 4.331 1.00 1.14 C ATOM 353 C ASP A 25 -7.290 -12.193 3.249 1.00 0.91 C ATOM 354 O ASP A 25 -7.414 -12.762 2.159 1.00 1.11 O ATOM 355 CB ASP A 25 -8.713 -13.803 4.548 1.00 1.52 C ATOM 356 CG ASP A 25 -7.597 -14.611 5.154 1.00 1.99 C ATOM 357 OD1 ASP A 25 -6.690 -15.065 4.417 1.00 2.41 O ATOM 358 OD2 ASP A 25 -7.629 -14.840 6.386 1.00 2.49 O ATOM 0 H ASP A 25 -10.056 -11.978 3.182 1.00 1.06 H new ATOM 0 HA ASP A 25 -7.947 -11.949 5.266 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -9.587 -13.861 5.196 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -8.995 -14.245 3.593 1.00 1.52 H new ATOM 363 N LEU A 26 -6.271 -11.428 3.543 1.00 0.84 N ATOM 364 CA LEU A 26 -5.214 -11.091 2.591 1.00 0.77 C ATOM 365 C LEU A 26 -4.097 -12.135 2.549 1.00 0.86 C ATOM 366 O LEU A 26 -2.928 -11.789 2.463 1.00 1.05 O ATOM 367 CB LEU A 26 -4.606 -9.700 2.916 1.00 0.94 C ATOM 368 CG LEU A 26 -5.405 -8.441 2.519 1.00 0.85 C ATOM 369 CD1 LEU A 26 -6.727 -8.333 3.238 1.00 1.22 C ATOM 370 CD2 LEU A 26 -4.575 -7.201 2.761 1.00 1.11 C ATOM 0 H LEU A 26 -6.139 -11.008 4.463 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.685 -11.071 1.608 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -4.430 -9.657 3.991 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -3.631 -9.642 2.431 1.00 0.94 H new ATOM 0 HG LEU A 26 -5.632 -8.531 1.457 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -7.243 -7.428 2.917 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -7.341 -9.203 3.004 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -6.554 -8.290 4.313 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -5.148 -6.318 2.477 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -4.312 -7.139 3.817 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -3.665 -7.250 2.163 1.00 1.11 H new ATOM 382 N SER A 27 -4.431 -13.389 2.559 1.00 0.96 N ATOM 383 CA SER A 27 -3.405 -14.396 2.492 1.00 1.13 C ATOM 384 C SER A 27 -3.057 -14.711 1.036 1.00 1.20 C ATOM 385 O SER A 27 -3.814 -15.388 0.336 1.00 1.66 O ATOM 386 CB SER A 27 -3.809 -15.672 3.242 1.00 1.36 C ATOM 387 OG SER A 27 -2.722 -16.592 3.323 1.00 1.89 O ATOM 0 H SER A 27 -5.387 -13.740 2.612 1.00 0.96 H new ATOM 0 HA SER A 27 -2.519 -13.996 2.985 1.00 1.13 H new ATOM 0 HB2 SER A 27 -4.146 -15.415 4.246 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.650 -16.144 2.734 1.00 1.36 H new ATOM 0 HG SER A 27 -3.008 -17.394 3.807 1.00 1.89 H new ATOM 393 N GLY A 28 -1.954 -14.139 0.568 1.00 1.48 N ATOM 394 CA GLY A 28 -1.417 -14.450 -0.754 1.00 1.67 C ATOM 395 C GLY A 28 -2.117 -13.775 -1.900 1.00 1.54 C ATOM 396 O GLY A 28 -1.566 -12.869 -2.540 1.00 2.30 O ATOM 0 H GLY A 28 -1.409 -13.451 1.088 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -0.364 -14.171 -0.776 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -1.464 -15.529 -0.904 1.00 1.67 H new ATOM 400 N ASP A 29 -3.336 -14.181 -2.107 1.00 1.09 N ATOM 401 CA ASP A 29 -4.205 -13.787 -3.249 1.00 1.07 C ATOM 402 C ASP A 29 -4.349 -12.269 -3.390 1.00 0.87 C ATOM 403 O ASP A 29 -4.580 -11.752 -4.480 1.00 1.13 O ATOM 404 CB ASP A 29 -5.595 -14.426 -3.070 1.00 1.48 C ATOM 405 CG ASP A 29 -6.489 -14.325 -4.295 1.00 2.24 C ATOM 406 OD1 ASP A 29 -7.112 -13.253 -4.491 1.00 2.97 O ATOM 407 OD2 ASP A 29 -6.558 -15.269 -5.089 1.00 2.56 O ATOM 0 H ASP A 29 -3.801 -14.828 -1.470 1.00 1.09 H new ATOM 0 HA ASP A 29 -3.729 -14.146 -4.162 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -5.469 -15.477 -2.812 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -6.096 -13.949 -2.228 1.00 1.48 H new ATOM 412 N PHE A 30 -4.130 -11.572 -2.291 1.00 0.67 N ATOM 413 CA PHE A 30 -4.307 -10.124 -2.206 1.00 0.57 C ATOM 414 C PHE A 30 -3.318 -9.376 -3.120 1.00 0.49 C ATOM 415 O PHE A 30 -3.576 -8.256 -3.524 1.00 0.48 O ATOM 416 CB PHE A 30 -4.115 -9.631 -0.741 1.00 0.59 C ATOM 417 CG PHE A 30 -2.665 -9.455 -0.308 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.850 -10.545 -0.032 1.00 0.64 C ATOM 419 CD2 PHE A 30 -2.119 -8.185 -0.220 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.531 -10.365 0.323 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.798 -8.003 0.128 1.00 0.65 C ATOM 422 CZ PHE A 30 -0.004 -9.094 0.398 1.00 0.73 C ATOM 0 H PHE A 30 -3.820 -11.996 -1.417 1.00 0.67 H new ATOM 0 HA PHE A 30 -5.323 -9.908 -2.537 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.632 -8.679 -0.623 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.596 -10.341 -0.068 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -2.254 -11.544 -0.096 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.738 -7.324 -0.427 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.090 -11.221 0.543 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.387 -7.006 0.189 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.032 -8.954 0.669 1.00 0.73 H new ATOM 432 N LEU A 31 -2.201 -10.030 -3.450 1.00 0.54 N ATOM 433 CA LEU A 31 -1.107 -9.405 -4.193 1.00 0.60 C ATOM 434 C LEU A 31 -1.550 -8.912 -5.576 1.00 0.63 C ATOM 435 O LEU A 31 -1.118 -7.850 -6.037 1.00 0.72 O ATOM 436 CB LEU A 31 0.059 -10.383 -4.321 1.00 0.75 C ATOM 437 CG LEU A 31 1.348 -9.821 -4.916 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.901 -8.713 -4.030 1.00 0.75 C ATOM 439 CD2 LEU A 31 2.369 -10.931 -5.089 1.00 1.43 C ATOM 0 H LEU A 31 -2.031 -11.007 -3.209 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.786 -8.528 -3.631 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.283 -10.780 -3.331 1.00 0.75 H new ATOM 0 HB3 LEU A 31 -0.264 -11.223 -4.936 1.00 0.75 H new ATOM 0 HG LEU A 31 1.129 -9.396 -5.896 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.820 -8.322 -4.467 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.167 -7.911 -3.950 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.112 -9.112 -3.038 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.285 -10.520 -5.514 1.00 1.43 H new ATOM 0 HD22 LEU A 31 2.588 -11.378 -4.119 1.00 1.43 H new ATOM 0 HD23 LEU A 31 1.969 -11.693 -5.758 1.00 1.43 H new ATOM 451 N ASP A 32 -2.425 -9.662 -6.206 1.00 0.66 N ATOM 452 CA ASP A 32 -2.942 -9.311 -7.529 1.00 0.83 C ATOM 453 C ASP A 32 -4.413 -8.948 -7.444 1.00 0.73 C ATOM 454 O ASP A 32 -5.113 -8.856 -8.458 1.00 0.96 O ATOM 455 CB ASP A 32 -2.698 -10.429 -8.560 1.00 1.10 C ATOM 456 CG ASP A 32 -3.311 -11.762 -8.190 1.00 1.70 C ATOM 457 OD1 ASP A 32 -2.655 -12.577 -7.518 1.00 2.33 O ATOM 458 OD2 ASP A 32 -4.486 -11.991 -8.529 1.00 2.26 O ATOM 0 H ASP A 32 -2.803 -10.530 -5.827 1.00 0.66 H new ATOM 0 HA ASP A 32 -2.392 -8.437 -7.879 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -3.099 -10.113 -9.523 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -1.624 -10.560 -8.689 1.00 1.10 H new ATOM 463 N LEU A 33 -4.843 -8.674 -6.244 1.00 0.50 N ATOM 464 CA LEU A 33 -6.192 -8.279 -5.976 1.00 0.50 C ATOM 465 C LEU A 33 -6.217 -6.744 -5.912 1.00 0.50 C ATOM 466 O LEU A 33 -5.206 -6.125 -5.598 1.00 0.78 O ATOM 467 CB LEU A 33 -6.646 -8.932 -4.660 1.00 0.49 C ATOM 468 CG LEU A 33 -8.105 -8.773 -4.258 1.00 0.64 C ATOM 469 CD1 LEU A 33 -9.015 -9.329 -5.343 1.00 0.77 C ATOM 470 CD2 LEU A 33 -8.354 -9.502 -2.944 1.00 0.70 C ATOM 0 H LEU A 33 -4.254 -8.721 -5.413 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.883 -8.605 -6.753 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -6.430 -9.998 -4.723 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -6.031 -8.529 -3.856 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.325 -7.713 -4.130 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -10.056 -9.209 -5.042 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.842 -8.790 -6.274 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.800 -10.387 -5.491 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -9.399 -9.388 -2.657 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -8.125 -10.561 -3.066 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.716 -9.080 -2.167 1.00 0.70 H new ATOM 482 N ARG A 34 -7.338 -6.142 -6.215 1.00 0.34 N ATOM 483 CA ARG A 34 -7.403 -4.689 -6.319 1.00 0.37 C ATOM 484 C ARG A 34 -7.938 -4.087 -5.048 1.00 0.35 C ATOM 485 O ARG A 34 -8.627 -4.760 -4.271 1.00 0.40 O ATOM 486 CB ARG A 34 -8.298 -4.217 -7.487 1.00 0.45 C ATOM 487 CG ARG A 34 -7.805 -4.491 -8.909 1.00 0.60 C ATOM 488 CD ARG A 34 -7.663 -5.959 -9.223 1.00 1.01 C ATOM 489 NE ARG A 34 -8.903 -6.714 -8.985 1.00 1.74 N ATOM 490 CZ ARG A 34 -9.130 -7.950 -9.417 1.00 2.51 C ATOM 491 NH1 ARG A 34 -8.260 -8.553 -10.212 1.00 2.74 N ATOM 492 NH2 ARG A 34 -10.233 -8.583 -9.051 1.00 3.50 N ATOM 0 H ARG A 34 -8.219 -6.623 -6.395 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.382 -4.355 -6.503 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.275 -4.687 -7.373 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.447 -3.142 -7.384 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -8.499 -4.041 -9.619 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -6.841 -4.002 -9.052 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -7.366 -6.076 -10.265 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -6.863 -6.381 -8.614 1.00 1.01 H new ATOM 0 HE ARG A 34 -9.641 -6.256 -8.450 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -7.409 -8.069 -10.497 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -8.441 -9.502 -10.540 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -10.906 -8.122 -8.439 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -10.410 -9.532 -9.381 1.00 3.50 H new ATOM 506 N PHE A 35 -7.659 -2.806 -4.857 1.00 0.36 N ATOM 507 CA PHE A 35 -8.169 -2.074 -3.708 1.00 0.39 C ATOM 508 C PHE A 35 -9.685 -1.909 -3.807 1.00 0.47 C ATOM 509 O PHE A 35 -10.375 -1.827 -2.797 1.00 0.54 O ATOM 510 CB PHE A 35 -7.469 -0.718 -3.555 1.00 0.41 C ATOM 511 CG PHE A 35 -5.997 -0.837 -3.274 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.548 -1.138 -1.998 1.00 0.42 C ATOM 513 CD2 PHE A 35 -5.064 -0.665 -4.282 1.00 0.42 C ATOM 514 CE1 PHE A 35 -4.202 -1.262 -1.735 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.716 -0.790 -4.024 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.285 -1.089 -2.750 1.00 0.47 C ATOM 0 H PHE A 35 -7.080 -2.250 -5.486 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.949 -2.654 -2.812 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.612 -0.138 -4.467 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.942 -0.162 -2.746 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.262 -1.277 -1.200 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.396 -0.430 -5.282 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.865 -1.494 -0.735 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.998 -0.654 -4.820 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.229 -1.188 -2.546 1.00 0.47 H new ATOM 526 N GLU A 36 -10.178 -1.906 -5.041 1.00 0.57 N ATOM 527 CA GLU A 36 -11.607 -1.818 -5.338 1.00 0.76 C ATOM 528 C GLU A 36 -12.317 -3.013 -4.708 1.00 0.74 C ATOM 529 O GLU A 36 -13.294 -2.878 -3.968 1.00 0.87 O ATOM 530 CB GLU A 36 -11.799 -1.920 -6.843 1.00 0.97 C ATOM 531 CG GLU A 36 -10.966 -0.967 -7.665 1.00 1.31 C ATOM 532 CD GLU A 36 -11.114 -1.242 -9.138 1.00 1.56 C ATOM 533 OE1 GLU A 36 -10.401 -2.123 -9.656 1.00 1.81 O ATOM 534 OE2 GLU A 36 -11.974 -0.611 -9.790 1.00 2.06 O ATOM 0 H GLU A 36 -9.592 -1.965 -5.874 1.00 0.57 H new ATOM 0 HA GLU A 36 -12.005 -0.879 -4.953 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.569 -2.939 -7.154 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -12.851 -1.747 -7.071 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -11.267 0.059 -7.452 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -9.918 -1.057 -7.379 1.00 1.31 H new ATOM 541 N ASP A 37 -11.765 -4.180 -4.993 1.00 0.66 N ATOM 542 CA ASP A 37 -12.276 -5.471 -4.545 1.00 0.73 C ATOM 543 C ASP A 37 -12.259 -5.577 -3.033 1.00 0.73 C ATOM 544 O ASP A 37 -13.146 -6.161 -2.439 1.00 0.89 O ATOM 545 CB ASP A 37 -11.421 -6.604 -5.130 1.00 0.75 C ATOM 546 CG ASP A 37 -11.455 -6.708 -6.645 1.00 1.29 C ATOM 547 OD1 ASP A 37 -10.871 -5.841 -7.330 1.00 2.20 O ATOM 548 OD2 ASP A 37 -11.994 -7.701 -7.179 1.00 1.28 O ATOM 0 H ASP A 37 -10.921 -4.261 -5.561 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.306 -5.557 -4.892 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -10.388 -6.462 -4.812 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.758 -7.550 -4.707 1.00 0.75 H new ATOM 553 N ILE A 38 -11.249 -4.990 -2.412 1.00 0.63 N ATOM 554 CA ILE A 38 -11.109 -5.069 -0.965 1.00 0.68 C ATOM 555 C ILE A 38 -11.763 -3.884 -0.238 1.00 0.68 C ATOM 556 O ILE A 38 -11.503 -3.648 0.932 1.00 0.73 O ATOM 557 CB ILE A 38 -9.629 -5.275 -0.506 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.724 -4.149 -1.034 1.00 0.55 C ATOM 559 CG2 ILE A 38 -9.119 -6.625 -0.984 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.263 -4.268 -0.630 1.00 0.64 C ATOM 0 H ILE A 38 -10.518 -4.457 -2.882 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.657 -5.964 -0.672 1.00 0.68 H new ATOM 0 HB ILE A 38 -9.603 -5.247 0.583 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.786 -4.131 -2.122 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -9.109 -3.194 -0.677 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -8.087 -6.760 -0.660 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.738 -7.417 -0.563 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.166 -6.667 -2.072 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.701 -3.432 -1.047 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -7.184 -4.253 0.457 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.855 -5.205 -1.010 1.00 0.64 H new ATOM 572 N GLY A 39 -12.655 -3.187 -0.944 1.00 0.69 N ATOM 573 CA GLY A 39 -13.444 -2.105 -0.358 1.00 0.77 C ATOM 574 C GLY A 39 -12.628 -0.914 0.132 1.00 0.65 C ATOM 575 O GLY A 39 -13.103 -0.139 0.968 1.00 0.74 O ATOM 0 H GLY A 39 -12.849 -3.356 -1.931 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -14.163 -1.755 -1.099 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -14.018 -2.504 0.479 1.00 0.77 H new ATOM 579 N TYR A 40 -11.440 -0.741 -0.404 1.00 0.52 N ATOM 580 CA TYR A 40 -10.566 0.337 0.008 1.00 0.47 C ATOM 581 C TYR A 40 -10.927 1.646 -0.632 1.00 0.49 C ATOM 582 O TYR A 40 -10.923 1.785 -1.856 1.00 0.61 O ATOM 583 CB TYR A 40 -9.094 0.016 -0.244 1.00 0.46 C ATOM 584 CG TYR A 40 -8.401 -0.678 0.902 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.935 -1.806 1.506 1.00 0.62 C ATOM 586 CD2 TYR A 40 -7.207 -0.178 1.397 1.00 0.61 C ATOM 587 CE1 TYR A 40 -8.296 -2.419 2.560 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.566 -0.781 2.449 1.00 0.78 C ATOM 589 CZ TYR A 40 -7.112 -1.900 3.027 1.00 0.81 C ATOM 590 OH TYR A 40 -6.475 -2.496 4.075 1.00 1.02 O ATOM 0 H TYR A 40 -11.053 -1.340 -1.134 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.713 0.439 1.083 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -9.019 -0.612 -1.132 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.565 0.943 -0.464 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -9.868 -2.211 1.143 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.773 0.702 0.946 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.722 -3.301 3.016 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.636 -0.377 2.821 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.525 -2.603 3.862 1.00 1.02 H new ATOM 600 N ASP A 41 -11.251 2.593 0.210 1.00 0.48 N ATOM 601 CA ASP A 41 -11.537 3.952 -0.205 1.00 0.56 C ATOM 602 C ASP A 41 -10.263 4.655 -0.616 1.00 0.45 C ATOM 603 O ASP A 41 -9.155 4.261 -0.208 1.00 0.39 O ATOM 604 CB ASP A 41 -12.181 4.770 0.934 1.00 0.75 C ATOM 605 CG ASP A 41 -13.562 4.316 1.316 1.00 1.11 C ATOM 606 OD1 ASP A 41 -13.693 3.340 2.071 1.00 2.01 O ATOM 607 OD2 ASP A 41 -14.542 4.898 0.838 1.00 1.20 O ATOM 0 H ASP A 41 -11.326 2.446 1.217 1.00 0.48 H new ATOM 0 HA ASP A 41 -12.231 3.888 -1.043 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -11.538 4.717 1.812 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -12.225 5.817 0.634 1.00 0.75 H new ATOM 612 N SER A 42 -10.432 5.724 -1.354 1.00 0.57 N ATOM 613 CA SER A 42 -9.360 6.562 -1.838 1.00 0.62 C ATOM 614 C SER A 42 -8.589 7.118 -0.633 1.00 0.53 C ATOM 615 O SER A 42 -7.356 7.040 -0.560 1.00 0.54 O ATOM 616 CB SER A 42 -10.014 7.689 -2.650 1.00 0.83 C ATOM 617 OG SER A 42 -9.069 8.579 -3.297 1.00 1.24 O ATOM 0 H SER A 42 -11.354 6.048 -1.646 1.00 0.57 H new ATOM 0 HA SER A 42 -8.655 6.016 -2.464 1.00 0.62 H new ATOM 0 HB2 SER A 42 -10.659 7.248 -3.410 1.00 0.83 H new ATOM 0 HB3 SER A 42 -10.654 8.274 -1.989 1.00 0.83 H new ATOM 622 N LEU A 43 -9.345 7.595 0.349 1.00 0.53 N ATOM 623 CA LEU A 43 -8.791 8.154 1.574 1.00 0.54 C ATOM 624 C LEU A 43 -8.019 7.102 2.368 1.00 0.45 C ATOM 625 O LEU A 43 -6.948 7.379 2.896 1.00 0.47 O ATOM 626 CB LEU A 43 -9.911 8.761 2.417 1.00 0.68 C ATOM 627 CG LEU A 43 -10.658 9.922 1.761 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.817 10.368 2.622 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.710 11.082 1.506 1.00 0.90 C ATOM 0 H LEU A 43 -10.364 7.604 0.317 1.00 0.53 H new ATOM 0 HA LEU A 43 -8.084 8.939 1.306 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.629 7.977 2.658 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.488 9.107 3.360 1.00 0.68 H new ATOM 0 HG LEU A 43 -11.055 9.578 0.806 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.334 11.195 2.136 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.509 9.537 2.759 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.445 10.694 3.593 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -10.256 11.902 1.039 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.287 11.421 2.452 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.907 10.757 0.845 1.00 0.90 H new ATOM 641 N ALA A 44 -8.531 5.880 2.374 1.00 0.44 N ATOM 642 CA ALA A 44 -7.919 4.778 3.091 1.00 0.41 C ATOM 643 C ALA A 44 -6.566 4.425 2.490 1.00 0.35 C ATOM 644 O ALA A 44 -5.663 4.012 3.198 1.00 0.38 O ATOM 645 CB ALA A 44 -8.834 3.560 3.105 1.00 0.43 C ATOM 0 H ALA A 44 -9.386 5.627 1.879 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.762 5.096 4.122 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.351 2.748 3.649 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.773 3.816 3.595 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -9.033 3.243 2.081 1.00 0.43 H new ATOM 651 N LEU A 45 -6.414 4.615 1.188 1.00 0.34 N ATOM 652 CA LEU A 45 -5.147 4.352 0.539 1.00 0.33 C ATOM 653 C LEU A 45 -4.127 5.443 0.889 1.00 0.32 C ATOM 654 O LEU A 45 -2.942 5.169 1.023 1.00 0.36 O ATOM 655 CB LEU A 45 -5.339 4.198 -0.964 1.00 0.48 C ATOM 656 CG LEU A 45 -4.100 3.790 -1.805 1.00 0.50 C ATOM 657 CD1 LEU A 45 -3.097 2.958 -1.016 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.580 2.919 -2.884 1.00 0.37 C ATOM 0 H LEU A 45 -7.151 4.949 0.566 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.746 3.408 0.909 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -6.118 3.454 -1.129 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.714 5.144 -1.354 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.613 4.705 -2.143 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.253 2.703 -1.656 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.743 3.531 -0.159 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -3.577 2.044 -0.667 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.738 2.608 -3.502 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -5.060 2.039 -2.455 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.299 3.462 -3.497 1.00 0.37 H new ATOM 670 N MET A 46 -4.601 6.661 1.112 1.00 0.37 N ATOM 671 CA MET A 46 -3.703 7.762 1.519 1.00 0.46 C ATOM 672 C MET A 46 -3.162 7.420 2.869 1.00 0.48 C ATOM 673 O MET A 46 -1.966 7.454 3.113 1.00 0.54 O ATOM 674 CB MET A 46 -4.445 9.065 1.679 1.00 0.59 C ATOM 675 CG MET A 46 -5.416 9.352 0.608 1.00 0.54 C ATOM 676 SD MET A 46 -6.082 11.002 0.758 1.00 0.89 S ATOM 677 CE MET A 46 -4.581 11.965 0.529 1.00 1.84 C ATOM 0 H MET A 46 -5.583 6.921 1.023 1.00 0.37 H new ATOM 0 HA MET A 46 -2.935 7.876 0.754 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.970 9.055 2.634 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.720 9.878 1.722 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.933 9.240 -0.363 1.00 0.54 H new ATOM 0 HG3 MET A 46 -6.228 8.625 0.646 1.00 0.54 H new ATOM 0 HE1 MET A 46 -4.831 12.930 0.088 1.00 1.84 H new ATOM 0 HE2 MET A 46 -4.098 12.121 1.494 1.00 1.84 H new ATOM 0 HE3 MET A 46 -3.902 11.429 -0.134 1.00 1.84 H new ATOM 687 N GLU A 47 -4.096 7.072 3.719 1.00 0.49 N ATOM 688 CA GLU A 47 -3.870 6.613 5.055 1.00 0.55 C ATOM 689 C GLU A 47 -2.848 5.445 5.077 1.00 0.54 C ATOM 690 O GLU A 47 -1.896 5.448 5.851 1.00 0.71 O ATOM 691 CB GLU A 47 -5.234 6.200 5.587 1.00 0.58 C ATOM 692 CG GLU A 47 -6.100 7.357 6.057 1.00 0.82 C ATOM 693 CD GLU A 47 -7.409 6.907 6.671 1.00 1.48 C ATOM 694 OE1 GLU A 47 -7.389 6.019 7.550 1.00 1.84 O ATOM 695 OE2 GLU A 47 -8.478 7.476 6.340 1.00 2.31 O ATOM 0 H GLU A 47 -5.087 7.106 3.478 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.433 7.389 5.684 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.766 5.657 4.806 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -5.093 5.507 6.417 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -5.545 7.945 6.789 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -6.308 8.014 5.212 1.00 0.82 H new ATOM 702 N THR A 48 -3.049 4.493 4.188 1.00 0.42 N ATOM 703 CA THR A 48 -2.156 3.361 3.995 1.00 0.42 C ATOM 704 C THR A 48 -0.731 3.846 3.575 1.00 0.39 C ATOM 705 O THR A 48 0.277 3.469 4.197 1.00 0.41 O ATOM 706 CB THR A 48 -2.772 2.438 2.906 1.00 0.41 C ATOM 707 OG1 THR A 48 -4.037 1.919 3.374 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.859 1.278 2.527 1.00 0.45 C ATOM 0 H THR A 48 -3.856 4.482 3.564 1.00 0.42 H new ATOM 0 HA THR A 48 -2.046 2.809 4.928 1.00 0.42 H new ATOM 0 HB THR A 48 -2.910 3.045 2.012 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.754 2.546 3.142 1.00 0.44 H new ATOM 0 HG21 THR A 48 -2.343 0.669 1.763 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.918 1.668 2.139 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.663 0.667 3.408 1.00 0.45 H new ATOM 716 N ALA A 49 -0.665 4.675 2.533 1.00 0.39 N ATOM 717 CA ALA A 49 0.599 5.183 2.013 1.00 0.40 C ATOM 718 C ALA A 49 1.364 5.985 3.061 1.00 0.42 C ATOM 719 O ALA A 49 2.554 5.752 3.261 1.00 0.41 O ATOM 720 CB ALA A 49 0.371 6.023 0.761 1.00 0.43 C ATOM 0 H ALA A 49 -1.485 5.011 2.029 1.00 0.39 H new ATOM 0 HA ALA A 49 1.210 4.319 1.749 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.328 6.391 0.391 1.00 0.43 H new ATOM 0 HB2 ALA A 49 -0.104 5.411 -0.006 1.00 0.43 H new ATOM 0 HB3 ALA A 49 -0.274 6.868 1.002 1.00 0.43 H new ATOM 726 N ALA A 50 0.667 6.888 3.755 1.00 0.46 N ATOM 727 CA ALA A 50 1.276 7.758 4.769 1.00 0.51 C ATOM 728 C ALA A 50 1.930 6.940 5.874 1.00 0.49 C ATOM 729 O ALA A 50 3.036 7.278 6.350 1.00 0.49 O ATOM 730 CB ALA A 50 0.237 8.698 5.356 1.00 0.62 C ATOM 0 H ALA A 50 -0.334 7.038 3.631 1.00 0.46 H new ATOM 0 HA ALA A 50 2.051 8.350 4.281 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.705 9.336 6.106 1.00 0.62 H new ATOM 0 HB2 ALA A 50 -0.182 9.318 4.563 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.559 8.116 5.821 1.00 0.62 H new ATOM 736 N ARG A 51 1.254 5.866 6.265 1.00 0.51 N ATOM 737 CA ARG A 51 1.739 4.922 7.266 1.00 0.54 C ATOM 738 C ARG A 51 3.097 4.361 6.828 1.00 0.50 C ATOM 739 O ARG A 51 4.081 4.384 7.577 1.00 0.61 O ATOM 740 CB ARG A 51 0.711 3.778 7.404 1.00 0.62 C ATOM 741 CG ARG A 51 1.103 2.561 8.254 1.00 0.87 C ATOM 742 CD ARG A 51 1.091 2.818 9.749 1.00 1.36 C ATOM 743 NE ARG A 51 -0.152 3.452 10.196 1.00 2.18 N ATOM 744 CZ ARG A 51 -0.979 2.939 11.112 1.00 3.05 C ATOM 745 NH1 ARG A 51 -0.786 1.708 11.563 1.00 3.48 N ATOM 746 NH2 ARG A 51 -2.037 3.623 11.531 1.00 3.91 N ATOM 0 H ARG A 51 0.338 5.622 5.889 1.00 0.51 H new ATOM 0 HA ARG A 51 1.861 5.422 8.227 1.00 0.54 H new ATOM 0 HB2 ARG A 51 -0.203 4.198 7.823 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.469 3.423 6.402 1.00 0.62 H new ATOM 0 HG2 ARG A 51 0.420 1.741 8.032 1.00 0.87 H new ATOM 0 HG3 ARG A 51 2.100 2.233 7.961 1.00 0.87 H new ATOM 0 HD2 ARG A 51 1.225 1.875 10.278 1.00 1.36 H new ATOM 0 HD3 ARG A 51 1.936 3.455 10.012 1.00 1.36 H new ATOM 0 HE ARG A 51 -0.404 4.348 9.779 1.00 2.18 H new ATOM 0 HH11 ARG A 51 -0.006 1.152 11.211 1.00 3.48 H new ATOM 0 HH12 ARG A 51 -1.417 1.316 12.262 1.00 3.48 H new ATOM 0 HH21 ARG A 51 -2.226 4.551 11.153 1.00 3.91 H new ATOM 0 HH22 ARG A 51 -2.660 3.220 12.231 1.00 3.91 H new ATOM 760 N LEU A 52 3.135 3.898 5.599 1.00 0.41 N ATOM 761 CA LEU A 52 4.320 3.311 5.008 1.00 0.39 C ATOM 762 C LEU A 52 5.446 4.337 4.878 1.00 0.36 C ATOM 763 O LEU A 52 6.619 4.033 5.170 1.00 0.38 O ATOM 764 CB LEU A 52 3.968 2.698 3.645 1.00 0.36 C ATOM 765 CG LEU A 52 3.021 1.493 3.688 1.00 0.39 C ATOM 766 CD1 LEU A 52 2.601 1.079 2.292 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.695 0.332 4.388 1.00 0.48 C ATOM 0 H LEU A 52 2.332 3.918 4.971 1.00 0.41 H new ATOM 0 HA LEU A 52 4.682 2.522 5.666 1.00 0.39 H new ATOM 0 HB2 LEU A 52 3.516 3.471 3.024 1.00 0.36 H new ATOM 0 HB3 LEU A 52 4.892 2.394 3.153 1.00 0.36 H new ATOM 0 HG LEU A 52 2.128 1.782 4.242 1.00 0.39 H new ATOM 0 HD11 LEU A 52 1.930 0.222 2.353 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.088 1.908 1.806 1.00 0.41 H new ATOM 0 HD13 LEU A 52 3.483 0.808 1.712 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.016 -0.520 4.415 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.601 0.058 3.848 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.954 0.622 5.406 1.00 0.48 H new ATOM 779 N GLU A 53 5.086 5.550 4.477 1.00 0.35 N ATOM 780 CA GLU A 53 6.045 6.631 4.300 1.00 0.37 C ATOM 781 C GLU A 53 6.764 6.968 5.583 1.00 0.41 C ATOM 782 O GLU A 53 7.993 7.035 5.611 1.00 0.45 O ATOM 783 CB GLU A 53 5.390 7.899 3.804 1.00 0.40 C ATOM 784 CG GLU A 53 4.727 7.829 2.461 1.00 0.44 C ATOM 785 CD GLU A 53 4.251 9.192 2.054 1.00 0.56 C ATOM 786 OE1 GLU A 53 3.309 9.730 2.673 1.00 0.91 O ATOM 787 OE2 GLU A 53 4.873 9.796 1.188 1.00 0.65 O ATOM 0 H GLU A 53 4.123 5.811 4.266 1.00 0.35 H new ATOM 0 HA GLU A 53 6.754 6.262 3.559 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.644 8.207 4.537 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.146 8.683 3.770 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.427 7.443 1.720 1.00 0.44 H new ATOM 0 HG3 GLU A 53 3.886 7.136 2.497 1.00 0.44 H new ATOM 794 N SER A 54 6.005 7.174 6.636 1.00 0.45 N ATOM 795 CA SER A 54 6.564 7.594 7.896 1.00 0.54 C ATOM 796 C SER A 54 7.424 6.487 8.507 1.00 0.52 C ATOM 797 O SER A 54 8.532 6.750 8.997 1.00 0.62 O ATOM 798 CB SER A 54 5.446 8.030 8.858 1.00 0.69 C ATOM 799 OG SER A 54 5.972 8.577 10.060 1.00 1.38 O ATOM 0 H SER A 54 4.992 7.056 6.641 1.00 0.45 H new ATOM 0 HA SER A 54 7.212 8.452 7.719 1.00 0.54 H new ATOM 0 HB2 SER A 54 4.812 8.769 8.368 1.00 0.69 H new ATOM 0 HB3 SER A 54 4.814 7.174 9.094 1.00 0.69 H new ATOM 0 HG SER A 54 5.235 8.845 10.648 1.00 1.38 H new ATOM 805 N ARG A 55 6.947 5.257 8.421 1.00 0.53 N ATOM 806 CA ARG A 55 7.641 4.134 9.015 1.00 0.62 C ATOM 807 C ARG A 55 8.961 3.822 8.302 1.00 0.57 C ATOM 808 O ARG A 55 10.016 3.768 8.931 1.00 0.68 O ATOM 809 CB ARG A 55 6.735 2.891 9.054 1.00 0.78 C ATOM 810 CG ARG A 55 7.376 1.671 9.712 1.00 0.95 C ATOM 811 CD ARG A 55 6.416 0.497 9.783 1.00 1.19 C ATOM 812 NE ARG A 55 5.221 0.790 10.587 1.00 1.42 N ATOM 813 CZ ARG A 55 4.104 0.035 10.606 1.00 1.79 C ATOM 814 NH1 ARG A 55 4.020 -1.064 9.855 1.00 1.97 N ATOM 815 NH2 ARG A 55 3.087 0.364 11.403 1.00 2.41 N ATOM 0 H ARG A 55 6.079 5.013 7.944 1.00 0.53 H new ATOM 0 HA ARG A 55 7.890 4.417 10.038 1.00 0.62 H new ATOM 0 HB2 ARG A 55 5.819 3.139 9.590 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.448 2.632 8.035 1.00 0.78 H new ATOM 0 HG2 ARG A 55 8.264 1.380 9.151 1.00 0.95 H new ATOM 0 HG3 ARG A 55 7.706 1.932 10.718 1.00 0.95 H new ATOM 0 HD2 ARG A 55 6.111 0.221 8.774 1.00 1.19 H new ATOM 0 HD3 ARG A 55 6.932 -0.364 10.207 1.00 1.19 H new ATOM 0 HE ARG A 55 5.238 1.625 11.173 1.00 1.42 H new ATOM 0 HH11 ARG A 55 4.803 -1.338 9.262 1.00 1.97 H new ATOM 0 HH12 ARG A 55 3.172 -1.631 9.874 1.00 1.97 H new ATOM 0 HH21 ARG A 55 3.153 1.188 12.000 1.00 2.41 H new ATOM 0 HH22 ARG A 55 2.243 -0.209 11.416 1.00 2.41 H new ATOM 829 N TYR A 56 8.919 3.670 6.991 1.00 0.49 N ATOM 830 CA TYR A 56 10.111 3.225 6.265 1.00 0.54 C ATOM 831 C TYR A 56 10.937 4.377 5.712 1.00 0.53 C ATOM 832 O TYR A 56 12.009 4.163 5.144 1.00 0.71 O ATOM 833 CB TYR A 56 9.731 2.222 5.174 1.00 0.57 C ATOM 834 CG TYR A 56 9.007 1.022 5.740 1.00 0.68 C ATOM 835 CD1 TYR A 56 9.691 0.059 6.472 1.00 0.94 C ATOM 836 CD2 TYR A 56 7.639 0.866 5.569 1.00 0.66 C ATOM 837 CE1 TYR A 56 9.031 -1.022 7.020 1.00 1.09 C ATOM 838 CE2 TYR A 56 6.969 -0.214 6.106 1.00 0.82 C ATOM 839 CZ TYR A 56 7.663 -1.152 6.832 1.00 1.02 C ATOM 840 OH TYR A 56 6.990 -2.216 7.381 1.00 1.20 O ATOM 0 H TYR A 56 8.097 3.841 6.412 1.00 0.49 H new ATOM 0 HA TYR A 56 10.755 2.722 6.986 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.098 2.712 4.434 1.00 0.57 H new ATOM 0 HB3 TYR A 56 10.631 1.892 4.655 1.00 0.57 H new ATOM 0 HD1 TYR A 56 10.757 0.158 6.614 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.088 1.604 5.005 1.00 0.66 H new ATOM 0 HE1 TYR A 56 9.575 -1.760 7.590 1.00 1.09 H new ATOM 0 HE2 TYR A 56 5.905 -0.322 5.957 1.00 0.82 H new ATOM 0 HH TYR A 56 6.039 -2.154 7.154 1.00 1.20 H new ATOM 850 N GLY A 57 10.449 5.586 5.897 1.00 0.44 N ATOM 851 CA GLY A 57 11.182 6.752 5.455 1.00 0.45 C ATOM 852 C GLY A 57 11.101 6.962 3.957 1.00 0.45 C ATOM 853 O GLY A 57 12.068 7.402 3.328 1.00 0.60 O ATOM 0 H GLY A 57 9.555 5.785 6.347 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.793 7.634 5.963 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.227 6.651 5.747 1.00 0.45 H new ATOM 857 N VAL A 58 9.952 6.677 3.390 1.00 0.37 N ATOM 858 CA VAL A 58 9.760 6.810 1.956 1.00 0.39 C ATOM 859 C VAL A 58 8.861 8.018 1.639 1.00 0.40 C ATOM 860 O VAL A 58 8.381 8.677 2.564 1.00 0.42 O ATOM 861 CB VAL A 58 9.202 5.511 1.305 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.147 4.361 1.542 1.00 0.49 C ATOM 863 CG2 VAL A 58 7.829 5.157 1.856 1.00 0.38 C ATOM 0 H VAL A 58 9.130 6.350 3.898 1.00 0.37 H new ATOM 0 HA VAL A 58 10.743 6.981 1.516 1.00 0.39 H new ATOM 0 HB VAL A 58 9.107 5.695 0.235 1.00 0.41 H new ATOM 0 HG11 VAL A 58 9.745 3.459 1.082 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.118 4.591 1.102 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.263 4.200 2.614 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.470 4.245 1.379 1.00 0.38 H new ATOM 0 HG22 VAL A 58 7.898 5.001 2.933 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.134 5.971 1.651 1.00 0.38 H new ATOM 873 N SER A 59 8.636 8.299 0.368 1.00 0.46 N ATOM 874 CA SER A 59 7.803 9.427 -0.039 1.00 0.56 C ATOM 875 C SER A 59 7.018 9.093 -1.322 1.00 0.54 C ATOM 876 O SER A 59 7.606 8.907 -2.398 1.00 0.61 O ATOM 877 CB SER A 59 8.673 10.682 -0.248 1.00 0.79 C ATOM 878 OG SER A 59 9.399 11.012 0.948 1.00 1.33 O ATOM 0 H SER A 59 9.020 7.760 -0.408 1.00 0.46 H new ATOM 0 HA SER A 59 7.083 9.628 0.754 1.00 0.56 H new ATOM 0 HB2 SER A 59 9.372 10.512 -1.067 1.00 0.79 H new ATOM 0 HB3 SER A 59 8.042 11.522 -0.538 1.00 0.79 H new ATOM 0 HG SER A 59 9.945 11.811 0.790 1.00 1.33 H new ATOM 884 N ILE A 60 5.710 8.989 -1.195 1.00 0.48 N ATOM 885 CA ILE A 60 4.824 8.673 -2.303 1.00 0.46 C ATOM 886 C ILE A 60 3.796 9.796 -2.461 1.00 0.50 C ATOM 887 O ILE A 60 3.087 10.127 -1.506 1.00 0.58 O ATOM 888 CB ILE A 60 4.062 7.284 -2.132 1.00 0.44 C ATOM 889 CG1 ILE A 60 5.006 6.063 -2.221 1.00 0.47 C ATOM 890 CG2 ILE A 60 2.933 7.122 -3.155 1.00 0.43 C ATOM 891 CD1 ILE A 60 5.969 5.895 -1.072 1.00 1.13 C ATOM 0 H ILE A 60 5.224 9.123 -0.308 1.00 0.48 H new ATOM 0 HA ILE A 60 5.450 8.581 -3.191 1.00 0.46 H new ATOM 0 HB ILE A 60 3.638 7.313 -1.128 1.00 0.44 H new ATOM 0 HG12 ILE A 60 4.398 5.162 -2.296 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.580 6.138 -3.144 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.440 6.162 -3.003 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.209 7.926 -3.028 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.347 7.162 -4.163 1.00 0.43 H new ATOM 0 HD11 ILE A 60 6.582 5.009 -1.237 1.00 1.13 H new ATOM 0 HD12 ILE A 60 6.611 6.773 -1.004 1.00 1.13 H new ATOM 0 HD13 ILE A 60 5.411 5.782 -0.143 1.00 1.13 H new ATOM 903 N PRO A 61 3.727 10.416 -3.656 1.00 0.52 N ATOM 904 CA PRO A 61 2.761 11.484 -3.945 1.00 0.58 C ATOM 905 C PRO A 61 1.314 10.969 -3.896 1.00 0.52 C ATOM 906 O PRO A 61 1.034 9.830 -4.323 1.00 0.45 O ATOM 907 CB PRO A 61 3.118 11.915 -5.375 1.00 0.63 C ATOM 908 CG PRO A 61 4.498 11.404 -5.596 1.00 0.65 C ATOM 909 CD PRO A 61 4.585 10.136 -4.815 1.00 0.56 C ATOM 0 HA PRO A 61 2.814 12.294 -3.217 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.421 11.495 -6.100 1.00 0.63 H new ATOM 0 HB3 PRO A 61 3.076 12.999 -5.483 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.685 11.226 -6.655 1.00 0.65 H new ATOM 0 HG3 PRO A 61 5.242 12.125 -5.257 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.226 9.281 -5.388 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.609 9.913 -4.517 1.00 0.56 H new ATOM 917 N ASP A 62 0.403 11.812 -3.401 1.00 0.64 N ATOM 918 CA ASP A 62 -1.025 11.459 -3.244 1.00 0.72 C ATOM 919 C ASP A 62 -1.668 11.030 -4.544 1.00 0.61 C ATOM 920 O ASP A 62 -2.466 10.091 -4.561 1.00 0.65 O ATOM 921 CB ASP A 62 -1.855 12.579 -2.577 1.00 1.00 C ATOM 922 CG ASP A 62 -1.842 13.905 -3.320 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.918 14.709 -3.084 1.00 1.40 O ATOM 924 OD2 ASP A 62 -2.772 14.197 -4.101 1.00 1.97 O ATOM 0 H ASP A 62 0.627 12.759 -3.096 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.029 10.602 -2.571 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.887 12.241 -2.482 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -1.478 12.740 -1.567 1.00 1.00 H new ATOM 929 N ASP A 63 -1.288 11.676 -5.637 1.00 0.57 N ATOM 930 CA ASP A 63 -1.818 11.325 -6.952 1.00 0.62 C ATOM 931 C ASP A 63 -1.429 9.904 -7.316 1.00 0.52 C ATOM 932 O ASP A 63 -2.262 9.110 -7.723 1.00 0.65 O ATOM 933 CB ASP A 63 -1.294 12.288 -8.022 1.00 0.78 C ATOM 934 CG ASP A 63 -1.827 11.996 -9.414 1.00 1.29 C ATOM 935 OD1 ASP A 63 -1.211 11.182 -10.140 1.00 1.87 O ATOM 936 OD2 ASP A 63 -2.878 12.549 -9.797 1.00 1.94 O ATOM 0 H ASP A 63 -0.617 12.444 -5.642 1.00 0.57 H new ATOM 0 HA ASP A 63 -2.904 11.401 -6.909 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -1.563 13.307 -7.745 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -0.205 12.240 -8.041 1.00 0.78 H new ATOM 941 N VAL A 64 -0.168 9.575 -7.073 1.00 0.42 N ATOM 942 CA VAL A 64 0.389 8.287 -7.467 1.00 0.39 C ATOM 943 C VAL A 64 -0.163 7.138 -6.607 1.00 0.33 C ATOM 944 O VAL A 64 -0.286 6.003 -7.078 1.00 0.37 O ATOM 945 CB VAL A 64 1.946 8.301 -7.469 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.509 7.008 -8.037 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.462 9.483 -8.271 1.00 0.56 C ATOM 0 H VAL A 64 0.495 10.189 -6.600 1.00 0.42 H new ATOM 0 HA VAL A 64 0.068 8.107 -8.493 1.00 0.39 H new ATOM 0 HB VAL A 64 2.279 8.394 -6.435 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.598 7.049 -8.025 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.171 6.167 -7.432 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.162 6.880 -9.062 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.552 9.480 -8.263 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.106 9.409 -9.299 1.00 0.56 H new ATOM 0 HG23 VAL A 64 2.099 10.410 -7.827 1.00 0.56 H new ATOM 957 N ALA A 65 -0.569 7.451 -5.377 1.00 0.35 N ATOM 958 CA ALA A 65 -1.190 6.471 -4.501 1.00 0.38 C ATOM 959 C ALA A 65 -2.498 5.991 -5.119 1.00 0.43 C ATOM 960 O ALA A 65 -2.871 4.835 -4.992 1.00 0.47 O ATOM 961 CB ALA A 65 -1.442 7.067 -3.120 1.00 0.44 C ATOM 0 H ALA A 65 -0.476 8.381 -4.968 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.516 5.623 -4.385 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.907 6.318 -2.480 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.495 7.382 -2.681 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.104 7.928 -3.211 1.00 0.44 H new ATOM 967 N GLY A 66 -3.153 6.882 -5.844 1.00 0.49 N ATOM 968 CA GLY A 66 -4.392 6.550 -6.488 1.00 0.59 C ATOM 969 C GLY A 66 -4.189 6.084 -7.921 1.00 0.53 C ATOM 970 O GLY A 66 -5.160 5.858 -8.648 1.00 0.69 O ATOM 0 H GLY A 66 -2.838 7.840 -5.996 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -4.895 5.767 -5.921 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.048 7.421 -6.481 1.00 0.59 H new ATOM 974 N ARG A 67 -2.934 5.938 -8.331 1.00 0.45 N ATOM 975 CA ARG A 67 -2.616 5.491 -9.673 1.00 0.45 C ATOM 976 C ARG A 67 -2.296 4.017 -9.672 1.00 0.39 C ATOM 977 O ARG A 67 -2.076 3.424 -10.724 1.00 0.51 O ATOM 978 CB ARG A 67 -1.426 6.262 -10.255 1.00 0.56 C ATOM 979 CG ARG A 67 -1.635 7.757 -10.392 1.00 1.08 C ATOM 980 CD ARG A 67 -2.798 8.092 -11.294 1.00 1.48 C ATOM 981 NE ARG A 67 -3.083 9.530 -11.293 1.00 2.15 N ATOM 982 CZ ARG A 67 -4.166 10.098 -11.831 1.00 2.93 C ATOM 983 NH1 ARG A 67 -5.001 9.383 -12.590 1.00 3.24 N ATOM 984 NH2 ARG A 67 -4.394 11.382 -11.628 1.00 3.83 N ATOM 0 H ARG A 67 -2.120 6.125 -7.746 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.491 5.680 -10.295 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -0.556 6.089 -9.622 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.192 5.852 -11.237 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -1.806 8.190 -9.406 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -0.728 8.214 -10.788 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -2.578 7.765 -12.310 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -3.682 7.545 -10.967 1.00 1.48 H new ATOM 0 HE ARG A 67 -2.402 10.144 -10.847 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -4.814 8.395 -12.763 1.00 3.24 H new ATOM 0 HH12 ARG A 67 -5.825 9.825 -12.997 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -3.746 11.932 -11.064 1.00 3.83 H new ATOM 0 HH22 ARG A 67 -5.218 11.824 -12.035 1.00 3.83 H new ATOM 998 N VAL A 68 -2.254 3.419 -8.496 1.00 0.35 N ATOM 999 CA VAL A 68 -1.932 2.019 -8.416 1.00 0.34 C ATOM 1000 C VAL A 68 -3.152 1.136 -8.640 1.00 0.39 C ATOM 1001 O VAL A 68 -4.218 1.625 -9.040 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.118 1.613 -7.145 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.216 2.323 -7.129 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.865 1.897 -5.858 1.00 0.36 C ATOM 0 H VAL A 68 -2.436 3.876 -7.602 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.247 1.838 -9.245 1.00 0.34 H new ATOM 0 HB VAL A 68 -0.964 0.535 -7.200 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.773 2.031 -6.239 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.784 2.050 -8.018 1.00 0.33 H new ATOM 0 HG13 VAL A 68 0.054 3.401 -7.119 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.253 1.596 -5.008 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.080 2.963 -5.790 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.800 1.337 -5.849 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.011 -0.132 -8.371 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.059 -1.097 -8.676 1.00 0.49 C ATOM 1016 C ASP A 69 -4.068 -2.183 -7.648 1.00 0.40 C ATOM 1017 O ASP A 69 -5.035 -2.374 -6.907 1.00 0.39 O ATOM 1018 CB ASP A 69 -3.777 -1.703 -10.054 1.00 0.68 C ATOM 1019 CG ASP A 69 -4.773 -2.730 -10.492 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -5.988 -2.510 -10.279 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -4.367 -3.796 -10.964 1.00 0.86 O ATOM 0 H ASP A 69 -2.179 -0.534 -7.939 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.029 -0.600 -8.673 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -3.751 -0.901 -10.792 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -2.786 -2.157 -10.042 1.00 0.68 H new ATOM 1026 N THR A 70 -2.978 -2.876 -7.600 1.00 0.38 N ATOM 1027 CA THR A 70 -2.794 -3.948 -6.711 1.00 0.35 C ATOM 1028 C THR A 70 -1.726 -3.549 -5.689 1.00 0.33 C ATOM 1029 O THR A 70 -0.949 -2.604 -5.942 1.00 0.33 O ATOM 1030 CB THR A 70 -2.367 -5.185 -7.534 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.187 -4.866 -8.294 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.474 -5.549 -8.505 1.00 0.47 C ATOM 0 H THR A 70 -2.174 -2.697 -8.201 1.00 0.38 H new ATOM 0 HA THR A 70 -3.709 -4.191 -6.171 1.00 0.35 H new ATOM 0 HB THR A 70 -2.169 -6.017 -6.858 1.00 0.42 H new ATOM 0 HG1 THR A 70 -0.839 -5.680 -8.715 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.175 -6.421 -9.087 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.384 -5.777 -7.950 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.659 -4.711 -9.177 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.679 -4.207 -4.518 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.702 -3.912 -3.458 1.00 0.33 C ATOM 1042 C PRO A 71 0.750 -3.939 -3.951 1.00 0.29 C ATOM 1043 O PRO A 71 1.587 -3.180 -3.479 1.00 0.28 O ATOM 1044 CB PRO A 71 -0.935 -5.038 -2.457 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.364 -5.368 -2.630 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.614 -5.267 -4.100 1.00 0.39 C ATOM 0 HA PRO A 71 -0.838 -2.909 -3.054 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.297 -5.897 -2.665 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.718 -4.719 -1.438 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.584 -6.370 -2.261 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -2.998 -4.677 -2.074 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.412 -6.209 -4.610 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.649 -5.002 -4.317 1.00 0.39 H new ATOM 1054 N ARG A 72 1.021 -4.771 -4.941 1.00 0.31 N ATOM 1055 CA ARG A 72 2.376 -4.922 -5.467 1.00 0.31 C ATOM 1056 C ARG A 72 2.824 -3.637 -6.184 1.00 0.29 C ATOM 1057 O ARG A 72 4.002 -3.310 -6.196 1.00 0.31 O ATOM 1058 CB ARG A 72 2.450 -6.139 -6.390 1.00 0.36 C ATOM 1059 CG ARG A 72 1.781 -5.953 -7.732 1.00 0.48 C ATOM 1060 CD ARG A 72 1.377 -7.264 -8.349 1.00 0.58 C ATOM 1061 NE ARG A 72 2.447 -8.260 -8.409 1.00 1.01 N ATOM 1062 CZ ARG A 72 2.226 -9.555 -8.620 1.00 1.40 C ATOM 1063 NH1 ARG A 72 0.997 -9.972 -8.932 1.00 1.35 N ATOM 1064 NH2 ARG A 72 3.226 -10.417 -8.575 1.00 2.47 N ATOM 0 H ARG A 72 0.323 -5.355 -5.401 1.00 0.31 H new ATOM 0 HA ARG A 72 3.063 -5.089 -4.637 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.498 -6.392 -6.553 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.992 -6.990 -5.885 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.900 -5.322 -7.613 1.00 0.48 H new ATOM 0 HG3 ARG A 72 2.460 -5.430 -8.406 1.00 0.48 H new ATOM 0 HD2 ARG A 72 0.544 -7.678 -7.781 1.00 0.58 H new ATOM 0 HD3 ARG A 72 1.013 -7.079 -9.359 1.00 0.58 H new ATOM 0 HE ARG A 72 3.409 -7.946 -8.283 1.00 1.01 H new ATOM 0 HH11 ARG A 72 0.234 -9.299 -9.007 1.00 1.35 H new ATOM 0 HH12 ARG A 72 0.821 -10.963 -9.095 1.00 1.35 H new ATOM 0 HH21 ARG A 72 4.172 -10.091 -8.378 1.00 2.47 H new ATOM 0 HH22 ARG A 72 3.052 -11.409 -8.737 1.00 2.47 H new ATOM 1078 N GLU A 73 1.859 -2.888 -6.723 1.00 0.28 N ATOM 1079 CA GLU A 73 2.150 -1.630 -7.398 1.00 0.28 C ATOM 1080 C GLU A 73 2.514 -0.588 -6.344 1.00 0.25 C ATOM 1081 O GLU A 73 3.410 0.230 -6.530 1.00 0.25 O ATOM 1082 CB GLU A 73 0.926 -1.141 -8.184 1.00 0.33 C ATOM 1083 CG GLU A 73 0.332 -2.151 -9.150 1.00 0.45 C ATOM 1084 CD GLU A 73 1.301 -2.616 -10.196 1.00 1.15 C ATOM 1085 OE1 GLU A 73 1.437 -1.947 -11.230 1.00 1.24 O ATOM 1086 OE2 GLU A 73 1.922 -3.671 -10.015 1.00 2.06 O ATOM 0 H GLU A 73 0.870 -3.135 -6.703 1.00 0.28 H new ATOM 0 HA GLU A 73 2.974 -1.780 -8.095 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.154 -0.843 -7.475 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.206 -0.248 -8.743 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -0.026 -3.013 -8.588 1.00 0.45 H new ATOM 0 HG3 GLU A 73 -0.535 -1.708 -9.640 1.00 0.45 H new ATOM 1093 N LEU A 74 1.807 -0.657 -5.223 1.00 0.27 N ATOM 1094 CA LEU A 74 2.005 0.252 -4.093 1.00 0.27 C ATOM 1095 C LEU A 74 3.398 -0.020 -3.533 1.00 0.25 C ATOM 1096 O LEU A 74 4.209 0.883 -3.360 1.00 0.25 O ATOM 1097 CB LEU A 74 0.962 -0.083 -3.009 1.00 0.30 C ATOM 1098 CG LEU A 74 0.545 1.024 -2.000 1.00 0.34 C ATOM 1099 CD1 LEU A 74 -0.434 0.469 -0.990 1.00 0.98 C ATOM 1100 CD2 LEU A 74 1.724 1.650 -1.281 1.00 1.00 C ATOM 0 H LEU A 74 1.074 -1.349 -5.068 1.00 0.27 H new ATOM 0 HA LEU A 74 1.902 1.293 -4.399 1.00 0.27 H new ATOM 0 HB2 LEU A 74 0.059 -0.425 -3.515 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.344 -0.926 -2.434 1.00 0.30 H new ATOM 0 HG LEU A 74 0.073 1.814 -2.585 1.00 0.34 H new ATOM 0 HD11 LEU A 74 -0.718 1.254 -0.289 1.00 0.98 H new ATOM 0 HD12 LEU A 74 -1.322 0.105 -1.506 1.00 0.98 H new ATOM 0 HD13 LEU A 74 0.032 -0.352 -0.445 1.00 0.98 H new ATOM 0 HD21 LEU A 74 1.366 2.414 -0.592 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.260 0.882 -0.724 1.00 1.00 H new ATOM 0 HD23 LEU A 74 2.395 2.105 -2.010 1.00 1.00 H new ATOM 1112 N LEU A 75 3.654 -1.296 -3.297 1.00 0.29 N ATOM 1113 CA LEU A 75 4.902 -1.799 -2.766 1.00 0.34 C ATOM 1114 C LEU A 75 6.076 -1.406 -3.653 1.00 0.29 C ATOM 1115 O LEU A 75 7.169 -1.104 -3.163 1.00 0.30 O ATOM 1116 CB LEU A 75 4.796 -3.303 -2.709 1.00 0.49 C ATOM 1117 CG LEU A 75 6.021 -4.050 -2.267 1.00 0.42 C ATOM 1118 CD1 LEU A 75 6.334 -3.787 -0.803 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.859 -5.513 -2.558 1.00 0.90 C ATOM 0 H LEU A 75 2.972 -2.033 -3.478 1.00 0.29 H new ATOM 0 HA LEU A 75 5.078 -1.375 -1.777 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.979 -3.561 -2.035 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.518 -3.662 -3.700 1.00 0.49 H new ATOM 0 HG LEU A 75 6.878 -3.687 -2.834 1.00 0.42 H new ATOM 0 HD11 LEU A 75 7.227 -4.343 -0.516 1.00 0.43 H new ATOM 0 HD12 LEU A 75 6.507 -2.721 -0.654 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.493 -4.108 -0.188 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.751 -6.049 -2.235 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.991 -5.897 -2.022 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.717 -5.657 -3.629 1.00 0.90 H new ATOM 1131 N ASP A 76 5.825 -1.381 -4.947 1.00 0.29 N ATOM 1132 CA ASP A 76 6.836 -1.041 -5.939 1.00 0.33 C ATOM 1133 C ASP A 76 7.253 0.404 -5.777 1.00 0.29 C ATOM 1134 O ASP A 76 8.436 0.741 -5.893 1.00 0.33 O ATOM 1135 CB ASP A 76 6.305 -1.272 -7.357 1.00 0.40 C ATOM 1136 CG ASP A 76 7.376 -1.123 -8.402 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.207 -2.031 -8.573 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.396 -0.091 -9.094 1.00 0.63 O ATOM 0 H ASP A 76 4.911 -1.596 -5.346 1.00 0.29 H new ATOM 0 HA ASP A 76 7.701 -1.686 -5.783 1.00 0.33 H new ATOM 0 HB2 ASP A 76 5.874 -2.271 -7.422 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.501 -0.564 -7.561 1.00 0.40 H new ATOM 1143 N LEU A 77 6.277 1.244 -5.478 1.00 0.25 N ATOM 1144 CA LEU A 77 6.519 2.653 -5.229 1.00 0.25 C ATOM 1145 C LEU A 77 7.282 2.830 -3.924 1.00 0.26 C ATOM 1146 O LEU A 77 8.196 3.653 -3.830 1.00 0.32 O ATOM 1147 CB LEU A 77 5.202 3.402 -5.121 1.00 0.26 C ATOM 1148 CG LEU A 77 4.272 3.345 -6.318 1.00 0.31 C ATOM 1149 CD1 LEU A 77 3.009 4.114 -6.008 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.947 3.899 -7.566 1.00 0.38 C ATOM 0 H LEU A 77 5.298 0.969 -5.401 1.00 0.25 H new ATOM 0 HA LEU A 77 7.103 3.050 -6.059 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.663 3.015 -4.256 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.425 4.449 -4.916 1.00 0.26 H new ATOM 0 HG LEU A 77 4.020 2.304 -6.518 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.339 4.075 -6.867 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.516 3.671 -5.143 1.00 0.35 H new ATOM 0 HD13 LEU A 77 3.259 5.152 -5.791 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.256 3.845 -8.408 1.00 0.38 H new ATOM 0 HD22 LEU A 77 5.231 4.937 -7.395 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.837 3.311 -7.789 1.00 0.38 H new ATOM 1162 N ILE A 78 6.897 2.043 -2.919 1.00 0.25 N ATOM 1163 CA ILE A 78 7.537 2.083 -1.611 1.00 0.29 C ATOM 1164 C ILE A 78 9.011 1.763 -1.763 1.00 0.34 C ATOM 1165 O ILE A 78 9.857 2.584 -1.441 1.00 0.40 O ATOM 1166 CB ILE A 78 6.901 1.066 -0.613 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.396 1.321 -0.440 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.609 1.138 0.741 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.052 2.704 0.074 1.00 0.46 C ATOM 0 H ILE A 78 6.138 1.366 -2.991 1.00 0.25 H new ATOM 0 HA ILE A 78 7.396 3.086 -1.207 1.00 0.29 H new ATOM 0 HB ILE A 78 7.027 0.066 -1.027 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.901 1.169 -1.399 1.00 0.36 H new ATOM 0 HG13 ILE A 78 4.991 0.579 0.248 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.155 0.423 1.427 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.664 0.898 0.613 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.513 2.144 1.149 1.00 0.43 H new ATOM 0 HD11 ILE A 78 3.970 2.799 0.167 1.00 0.46 H new ATOM 0 HD12 ILE A 78 5.514 2.855 1.049 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.424 3.454 -0.624 1.00 0.46 H new ATOM 1181 N ASN A 79 9.299 0.566 -2.256 1.00 0.37 N ATOM 1182 CA ASN A 79 10.675 0.119 -2.464 1.00 0.46 C ATOM 1183 C ASN A 79 11.427 1.045 -3.396 1.00 0.40 C ATOM 1184 O ASN A 79 12.617 1.298 -3.196 1.00 0.45 O ATOM 1185 CB ASN A 79 10.741 -1.315 -2.981 1.00 0.62 C ATOM 1186 CG ASN A 79 10.300 -2.338 -1.954 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.398 -2.119 -0.744 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.890 -3.479 -2.416 1.00 0.56 N ATOM 0 H ASN A 79 8.593 -0.120 -2.522 1.00 0.37 H new ATOM 0 HA ASN A 79 11.158 0.146 -1.487 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.113 -1.405 -3.867 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.762 -1.537 -3.290 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.637 -4.229 -1.772 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.821 -3.626 -3.423 1.00 0.56 H new ATOM 1195 N GLY A 80 10.723 1.573 -4.393 1.00 0.38 N ATOM 1196 CA GLY A 80 11.311 2.527 -5.303 1.00 0.41 C ATOM 1197 C GLY A 80 11.814 3.749 -4.567 1.00 0.45 C ATOM 1198 O GLY A 80 12.968 4.132 -4.715 1.00 0.55 O ATOM 0 H GLY A 80 9.746 1.351 -4.584 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.135 2.059 -5.842 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.573 2.826 -6.047 1.00 0.41 H new ATOM 1202 N ALA A 81 10.972 4.309 -3.729 1.00 0.44 N ATOM 1203 CA ALA A 81 11.320 5.481 -2.943 1.00 0.51 C ATOM 1204 C ALA A 81 12.324 5.137 -1.835 1.00 0.54 C ATOM 1205 O ALA A 81 13.119 5.982 -1.408 1.00 0.69 O ATOM 1206 CB ALA A 81 10.066 6.100 -2.353 1.00 0.52 C ATOM 0 H ALA A 81 10.024 3.968 -3.570 1.00 0.44 H new ATOM 0 HA ALA A 81 11.797 6.204 -3.605 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.335 6.978 -1.765 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.392 6.395 -3.158 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.568 5.373 -1.712 1.00 0.52 H new ATOM 1212 N LEU A 82 12.294 3.890 -1.392 1.00 0.44 N ATOM 1213 CA LEU A 82 13.151 3.404 -0.349 1.00 0.50 C ATOM 1214 C LEU A 82 14.590 3.282 -0.845 1.00 0.60 C ATOM 1215 O LEU A 82 15.543 3.443 -0.075 1.00 0.70 O ATOM 1216 CB LEU A 82 12.621 2.061 0.172 1.00 0.48 C ATOM 1217 CG LEU A 82 13.411 1.423 1.298 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.449 2.333 2.522 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.846 0.062 1.654 1.00 0.66 C ATOM 0 H LEU A 82 11.658 3.183 -1.761 1.00 0.44 H new ATOM 0 HA LEU A 82 13.151 4.117 0.475 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.595 2.206 0.512 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.585 1.360 -0.662 1.00 0.48 H new ATOM 0 HG LEU A 82 14.435 1.282 0.951 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.022 1.852 3.315 1.00 0.60 H new ATOM 0 HD12 LEU A 82 13.920 3.280 2.257 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.433 2.518 2.869 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.431 -0.374 2.464 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.809 0.170 1.972 1.00 0.66 H new ATOM 0 HD23 LEU A 82 12.892 -0.590 0.782 1.00 0.66 H new ATOM 1231 N ALA A 83 14.745 3.054 -2.136 1.00 0.64 N ATOM 1232 CA ALA A 83 16.060 2.926 -2.742 1.00 0.79 C ATOM 1233 C ALA A 83 16.834 4.240 -2.659 1.00 0.95 C ATOM 1234 O ALA A 83 18.062 4.242 -2.556 1.00 1.13 O ATOM 1235 CB ALA A 83 15.948 2.444 -4.178 1.00 0.86 C ATOM 0 H ALA A 83 13.970 2.953 -2.791 1.00 0.64 H new ATOM 0 HA ALA A 83 16.619 2.178 -2.180 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.944 2.356 -4.611 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.456 1.471 -4.198 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.363 3.158 -4.757 1.00 0.86 H new ATOM 1241 N GLU A 84 16.114 5.359 -2.680 1.00 0.95 N ATOM 1242 CA GLU A 84 16.718 6.652 -2.528 1.00 1.17 C ATOM 1243 C GLU A 84 16.646 7.124 -1.068 1.00 1.25 C ATOM 1244 O GLU A 84 17.074 8.227 -0.744 1.00 1.52 O ATOM 1245 CB GLU A 84 16.041 7.695 -3.425 1.00 1.23 C ATOM 1246 CG GLU A 84 16.311 7.591 -4.932 1.00 1.40 C ATOM 1247 CD GLU A 84 15.550 6.485 -5.624 1.00 1.80 C ATOM 1248 OE1 GLU A 84 14.372 6.703 -5.974 1.00 2.17 O ATOM 1249 OE2 GLU A 84 16.120 5.407 -5.865 1.00 2.47 O ATOM 0 H GLU A 84 15.102 5.381 -2.803 1.00 0.95 H new ATOM 0 HA GLU A 84 17.762 6.553 -2.826 1.00 1.17 H new ATOM 0 HB2 GLU A 84 14.964 7.631 -3.268 1.00 1.23 H new ATOM 0 HB3 GLU A 84 16.354 8.684 -3.091 1.00 1.23 H new ATOM 0 HG2 GLU A 84 16.056 8.541 -5.402 1.00 1.40 H new ATOM 0 HG3 GLU A 84 17.378 7.435 -5.088 1.00 1.40 H new ATOM 1256 N ALA A 85 16.112 6.296 -0.198 1.00 1.13 N ATOM 1257 CA ALA A 85 15.956 6.663 1.199 1.00 1.31 C ATOM 1258 C ALA A 85 17.060 6.070 2.061 1.00 1.69 C ATOM 1259 O ALA A 85 17.496 6.710 3.027 1.00 2.07 O ATOM 1260 CB ALA A 85 14.601 6.236 1.724 1.00 1.28 C ATOM 0 H ALA A 85 15.777 5.361 -0.430 1.00 1.13 H new ATOM 0 HA ALA A 85 16.028 7.749 1.256 1.00 1.31 H new ATOM 0 HB1 ALA A 85 14.510 6.523 2.772 1.00 1.28 H new ATOM 0 HB2 ALA A 85 13.816 6.723 1.145 1.00 1.28 H new ATOM 0 HB3 ALA A 85 14.500 5.154 1.634 1.00 1.28 H new ATOM 1266 N ALA A 86 17.482 4.845 1.704 1.00 1.91 N ATOM 1267 CA ALA A 86 18.551 4.082 2.383 1.00 2.53 C ATOM 1268 C ALA A 86 18.066 3.384 3.654 1.00 2.95 C ATOM 1269 O ALA A 86 17.805 2.164 3.588 1.00 3.39 O ATOM 1270 CB ALA A 86 19.829 4.895 2.615 1.00 3.21 C ATOM 1271 OXT ALA A 86 17.924 4.032 4.716 1.00 3.44 O ATOM 0 H ALA A 86 17.080 4.342 0.913 1.00 1.91 H new ATOM 0 HA ALA A 86 18.827 3.293 1.683 1.00 2.53 H new ATOM 0 HB1 ALA A 86 20.570 4.273 3.117 1.00 3.21 H new ATOM 0 HB2 ALA A 86 20.226 5.230 1.657 1.00 3.21 H new ATOM 0 HB3 ALA A 86 19.601 5.761 3.236 1.00 3.21 H new TER 1277 ALA A 86 HETATM 1278 P24 SDO A 101 -9.696 9.679 -4.199 1.00 1.71 P HETATM 1279 O26 SDO A 101 -11.029 10.154 -3.553 1.00 2.14 O HETATM 1280 O23 SDO A 101 -9.761 9.131 -5.665 1.00 2.28 O HETATM 1281 O27 SDO A 101 -8.710 10.861 -4.161 1.00 1.72 O HETATM 1282 C28 SDO A 101 -8.402 11.456 -2.849 1.00 1.71 C HETATM 1283 C29 SDO A 101 -7.421 12.627 -2.999 1.00 1.77 C HETATM 1284 C30 SDO A 101 -7.117 13.140 -1.610 1.00 1.95 C HETATM 1285 C31 SDO A 101 -6.125 12.137 -3.660 1.00 1.99 C HETATM 1286 C32 SDO A 101 -8.036 13.801 -3.864 1.00 2.08 C HETATM 1287 O33 SDO A 101 -7.013 14.788 -4.162 1.00 2.35 O HETATM 1288 C34 SDO A 101 -9.168 14.526 -3.111 1.00 2.45 C HETATM 1289 O35 SDO A 101 -10.127 13.940 -2.573 1.00 3.01 O HETATM 1290 N36 SDO A 101 -9.000 15.815 -3.069 1.00 2.76 N HETATM 1291 C37 SDO A 101 -9.881 16.779 -2.410 1.00 3.46 C HETATM 1292 C38 SDO A 101 -9.076 17.667 -1.452 1.00 3.69 C HETATM 1293 C39 SDO A 101 -8.474 16.874 -0.296 1.00 3.12 C HETATM 1294 O40 SDO A 101 -9.101 15.973 0.272 1.00 3.47 O HETATM 1295 N41 SDO A 101 -7.254 17.225 0.061 1.00 2.75 N HETATM 1296 C42 SDO A 101 -6.538 16.567 1.138 1.00 2.56 C HETATM 1297 C43 SDO A 101 -5.040 16.730 1.073 1.00 3.16 C HETATM 1298 S1 SDO A 101 -4.002 15.610 2.072 1.00 3.65 S HETATM 1299 C1 SDO A 101 -4.887 14.374 3.088 1.00 3.41 C HETATM 1300 C2 SDO A 101 -6.414 14.341 3.051 1.00 3.06 C HETATM 1301 C3 SDO A 101 -7.223 13.282 3.915 1.00 3.84 C HETATM 1302 O3 SDO A 101 -8.455 13.344 3.841 1.00 4.23 O HETATM 1303 C4 SDO A 101 -6.623 12.177 4.879 1.00 4.62 C HETATM 1304 C5 SDO A 101 -5.115 12.056 5.037 1.00 4.78 C HETATM 1305 C6 SDO A 101 -4.743 10.866 5.916 1.00 5.75 C HETATM 1306 C7 SDO A 101 -3.233 10.666 6.100 1.00 6.28 C HETATM 1307 O7 SDO A 101 -2.808 9.737 6.786 1.00 7.10 O HETATM 1308 C8 SDO A 101 -2.265 11.628 5.409 1.00 6.09 C