USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 660 hydrogens (31 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 TYR OH : rot -163:sc= 0.129 USER MOD Set 1.2: A 48 THR OG1 : rot 87:sc= 1.03 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.726 USER MOD Set 2.2: A 24 THR OG1 : rot 131:sc= 0.947 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0775 (180deg=-0.466) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0533 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 46:sc= 0.324 USER MOD Single : A 6 THR OG1 : rot -4:sc= 1.22 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 17 SER OG : rot 79:sc= 1.23 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -153:sc= 0 (180deg=-1.25) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 35:sc=0.000716 USER MOD Single : A 70 THR OG1 : rot -82:sc= -1.66! USER MOD Single : A 79 ASN : amide:sc= 1.34 K(o=1.3,f=-9.1!) USER MOD Single : A 87 SXH O33 : rot 48:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.114 -15.308 5.928 1.00 5.89 N ATOM 2 CA MET A 1 9.422 -13.908 5.673 1.00 5.39 C ATOM 3 C MET A 1 9.593 -13.708 4.192 1.00 4.66 C ATOM 4 O MET A 1 10.153 -14.560 3.500 1.00 4.91 O ATOM 5 CB MET A 1 10.675 -13.430 6.449 1.00 5.72 C ATOM 6 CG MET A 1 11.996 -14.049 6.011 1.00 6.12 C ATOM 7 SD MET A 1 13.403 -13.459 6.977 1.00 6.79 S ATOM 8 CE MET A 1 13.016 -14.132 8.591 1.00 7.46 C ATOM 0 H1 MET A 1 9.633 -15.630 6.770 1.00 5.89 H new ATOM 0 H2 MET A 1 8.092 -15.415 6.090 1.00 5.89 H new ATOM 0 H3 MET A 1 9.396 -15.881 5.107 1.00 5.89 H new ATOM 0 HA MET A 1 8.592 -13.301 6.033 1.00 5.39 H new ATOM 0 HB2 MET A 1 10.751 -12.347 6.349 1.00 5.72 H new ATOM 0 HB3 MET A 1 10.528 -13.643 7.508 1.00 5.72 H new ATOM 0 HG2 MET A 1 11.930 -15.133 6.099 1.00 6.12 H new ATOM 0 HG3 MET A 1 12.165 -13.825 4.958 1.00 6.12 H new ATOM 0 HE1 MET A 1 13.914 -14.137 9.208 1.00 7.46 H new ATOM 0 HE2 MET A 1 12.252 -13.518 9.067 1.00 7.46 H new ATOM 0 HE3 MET A 1 12.646 -15.151 8.481 1.00 7.46 H new ATOM 20 N ALA A 2 9.096 -12.621 3.701 1.00 4.17 N ATOM 21 CA ALA A 2 9.164 -12.336 2.303 1.00 3.77 C ATOM 22 C ALA A 2 10.461 -11.653 1.944 1.00 2.58 C ATOM 23 O ALA A 2 10.771 -10.575 2.466 1.00 2.61 O ATOM 24 CB ALA A 2 7.993 -11.467 1.890 1.00 4.69 C ATOM 0 H ALA A 2 8.631 -11.904 4.257 1.00 4.17 H new ATOM 0 HA ALA A 2 9.119 -13.283 1.766 1.00 3.77 H new ATOM 0 HB1 ALA A 2 8.055 -11.256 0.822 1.00 4.69 H new ATOM 0 HB2 ALA A 2 7.060 -11.989 2.103 1.00 4.69 H new ATOM 0 HB3 ALA A 2 8.021 -10.531 2.447 1.00 4.69 H new ATOM 30 N THR A 3 11.239 -12.302 1.114 1.00 2.17 N ATOM 31 CA THR A 3 12.390 -11.684 0.521 1.00 1.65 C ATOM 32 C THR A 3 11.855 -10.935 -0.689 1.00 1.51 C ATOM 33 O THR A 3 11.530 -11.555 -1.728 1.00 2.34 O ATOM 34 CB THR A 3 13.378 -12.786 0.094 1.00 2.61 C ATOM 35 OG1 THR A 3 12.640 -13.891 -0.492 1.00 3.14 O ATOM 36 CG2 THR A 3 14.192 -13.279 1.284 1.00 3.14 C ATOM 0 H THR A 3 11.090 -13.271 0.833 1.00 2.17 H new ATOM 0 HA THR A 3 12.917 -11.013 1.199 1.00 1.65 H new ATOM 0 HB THR A 3 14.069 -12.372 -0.641 1.00 2.61 H new ATOM 0 HG1 THR A 3 11.982 -13.543 -1.130 1.00 3.14 H new ATOM 0 HG21 THR A 3 14.882 -14.057 0.956 1.00 3.14 H new ATOM 0 HG22 THR A 3 14.756 -12.448 1.708 1.00 3.14 H new ATOM 0 HG23 THR A 3 13.521 -13.685 2.041 1.00 3.14 H new ATOM 44 N LEU A 4 11.762 -9.625 -0.543 1.00 1.02 N ATOM 45 CA LEU A 4 11.004 -8.752 -1.423 1.00 0.89 C ATOM 46 C LEU A 4 9.511 -9.028 -1.204 1.00 0.82 C ATOM 47 O LEU A 4 9.026 -10.167 -1.332 1.00 1.00 O ATOM 48 CB LEU A 4 11.413 -8.833 -2.909 1.00 0.93 C ATOM 49 CG LEU A 4 12.850 -8.408 -3.238 1.00 1.05 C ATOM 50 CD1 LEU A 4 13.121 -8.551 -4.724 1.00 1.31 C ATOM 51 CD2 LEU A 4 13.108 -6.976 -2.788 1.00 1.09 C ATOM 0 H LEU A 4 12.226 -9.124 0.214 1.00 1.02 H new ATOM 0 HA LEU A 4 11.235 -7.720 -1.158 1.00 0.89 H new ATOM 0 HB2 LEU A 4 11.273 -9.859 -3.248 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.730 -8.210 -3.487 1.00 0.93 H new ATOM 0 HG LEU A 4 13.530 -9.065 -2.696 1.00 1.05 H new ATOM 0 HD11 LEU A 4 14.145 -8.245 -4.938 1.00 1.31 H new ATOM 0 HD12 LEU A 4 12.983 -9.591 -5.021 1.00 1.31 H new ATOM 0 HD13 LEU A 4 12.429 -7.920 -5.282 1.00 1.31 H new ATOM 0 HD21 LEU A 4 14.133 -6.697 -3.032 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.418 -6.304 -3.299 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.958 -6.900 -1.711 1.00 1.09 H new ATOM 63 N LEU A 5 8.813 -8.004 -0.864 1.00 0.69 N ATOM 64 CA LEU A 5 7.438 -8.067 -0.454 1.00 0.62 C ATOM 65 C LEU A 5 6.574 -8.329 -1.699 1.00 0.51 C ATOM 66 O LEU A 5 6.791 -7.715 -2.741 1.00 0.50 O ATOM 67 CB LEU A 5 7.136 -6.707 0.236 1.00 0.64 C ATOM 68 CG LEU A 5 5.881 -6.572 1.105 1.00 0.71 C ATOM 69 CD1 LEU A 5 6.005 -5.344 1.985 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.660 -6.418 0.259 1.00 1.01 C ATOM 0 H LEU A 5 9.191 -7.057 -0.861 1.00 0.69 H new ATOM 0 HA LEU A 5 7.221 -8.873 0.247 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.995 -6.457 0.859 1.00 0.64 H new ATOM 0 HB3 LEU A 5 7.077 -5.949 -0.545 1.00 0.64 H new ATOM 0 HG LEU A 5 5.790 -7.474 1.710 1.00 0.71 H new ATOM 0 HD11 LEU A 5 5.112 -5.248 2.603 1.00 1.14 H new ATOM 0 HD12 LEU A 5 6.881 -5.443 2.626 1.00 1.14 H new ATOM 0 HD13 LEU A 5 6.111 -4.457 1.360 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.783 -6.324 0.899 1.00 1.01 H new ATOM 0 HD22 LEU A 5 4.756 -5.525 -0.359 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.549 -7.292 -0.382 1.00 1.01 H new ATOM 82 N THR A 6 5.663 -9.276 -1.628 1.00 0.53 N ATOM 83 CA THR A 6 4.852 -9.569 -2.789 1.00 0.54 C ATOM 84 C THR A 6 3.410 -9.082 -2.643 1.00 0.47 C ATOM 85 O THR A 6 3.055 -8.460 -1.633 1.00 0.45 O ATOM 86 CB THR A 6 4.902 -11.066 -3.204 1.00 0.74 C ATOM 87 OG1 THR A 6 4.523 -11.918 -2.114 1.00 0.84 O ATOM 88 CG2 THR A 6 6.286 -11.455 -3.676 1.00 1.01 C ATOM 0 H THR A 6 5.468 -9.842 -0.802 1.00 0.53 H new ATOM 0 HA THR A 6 5.303 -9.000 -3.602 1.00 0.54 H new ATOM 0 HB THR A 6 4.194 -11.194 -4.023 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.374 -11.376 -1.312 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.291 -12.507 -3.960 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.561 -10.846 -4.537 1.00 1.01 H new ATOM 0 HG23 THR A 6 7.004 -11.293 -2.872 1.00 1.01 H new ATOM 96 N THR A 7 2.599 -9.400 -3.627 1.00 0.53 N ATOM 97 CA THR A 7 1.203 -9.031 -3.707 1.00 0.55 C ATOM 98 C THR A 7 0.446 -9.458 -2.430 1.00 0.49 C ATOM 99 O THR A 7 -0.206 -8.633 -1.773 1.00 0.47 O ATOM 100 CB THR A 7 0.620 -9.741 -4.930 1.00 0.73 C ATOM 101 OG1 THR A 7 1.541 -9.566 -6.029 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.732 -9.156 -5.306 1.00 0.95 C ATOM 0 H THR A 7 2.909 -9.948 -4.430 1.00 0.53 H new ATOM 0 HA THR A 7 1.101 -7.950 -3.797 1.00 0.55 H new ATOM 0 HB THR A 7 0.479 -10.798 -4.703 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.189 -10.015 -6.826 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.125 -9.678 -6.178 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.424 -9.273 -4.472 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.618 -8.097 -5.538 1.00 0.95 H new ATOM 110 N ASP A 8 0.560 -10.741 -2.084 1.00 0.57 N ATOM 111 CA ASP A 8 -0.117 -11.310 -0.902 1.00 0.61 C ATOM 112 C ASP A 8 0.322 -10.611 0.378 1.00 0.54 C ATOM 113 O ASP A 8 -0.490 -10.356 1.266 1.00 0.53 O ATOM 114 CB ASP A 8 0.140 -12.826 -0.750 1.00 0.81 C ATOM 115 CG ASP A 8 -0.358 -13.669 -1.904 1.00 1.41 C ATOM 116 OD1 ASP A 8 -1.583 -13.825 -2.059 1.00 1.86 O ATOM 117 OD2 ASP A 8 0.463 -14.177 -2.695 1.00 2.14 O ATOM 0 H ASP A 8 1.118 -11.416 -2.606 1.00 0.57 H new ATOM 0 HA ASP A 8 -1.183 -11.150 -1.063 1.00 0.61 H new ATOM 0 HB2 ASP A 8 1.211 -12.990 -0.634 1.00 0.81 H new ATOM 0 HB3 ASP A 8 -0.337 -13.172 0.167 1.00 0.81 H new ATOM 122 N ASP A 9 1.609 -10.286 0.457 1.00 0.55 N ATOM 123 CA ASP A 9 2.177 -9.623 1.643 1.00 0.57 C ATOM 124 C ASP A 9 1.628 -8.228 1.770 1.00 0.50 C ATOM 125 O ASP A 9 1.259 -7.793 2.854 1.00 0.57 O ATOM 126 CB ASP A 9 3.705 -9.507 1.577 1.00 0.65 C ATOM 127 CG ASP A 9 4.433 -10.801 1.492 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.724 -11.409 2.535 1.00 1.61 O ATOM 129 OD2 ASP A 9 4.756 -11.226 0.368 1.00 1.61 O ATOM 0 H ASP A 9 2.286 -10.468 -0.284 1.00 0.55 H new ATOM 0 HA ASP A 9 1.902 -10.241 2.498 1.00 0.57 H new ATOM 0 HB2 ASP A 9 3.971 -8.901 0.711 1.00 0.65 H new ATOM 0 HB3 ASP A 9 4.052 -8.970 2.460 1.00 0.65 H new ATOM 134 N LEU A 10 1.566 -7.535 0.649 1.00 0.43 N ATOM 135 CA LEU A 10 1.106 -6.161 0.619 1.00 0.43 C ATOM 136 C LEU A 10 -0.360 -6.113 0.985 1.00 0.41 C ATOM 137 O LEU A 10 -0.794 -5.240 1.727 1.00 0.47 O ATOM 138 CB LEU A 10 1.334 -5.556 -0.776 1.00 0.46 C ATOM 139 CG LEU A 10 1.047 -4.060 -0.925 1.00 0.57 C ATOM 140 CD1 LEU A 10 2.002 -3.235 -0.069 1.00 0.88 C ATOM 141 CD2 LEU A 10 1.137 -3.644 -2.378 1.00 0.79 C ATOM 0 H LEU A 10 1.832 -7.907 -0.263 1.00 0.43 H new ATOM 0 HA LEU A 10 1.672 -5.574 1.343 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.371 -5.735 -1.060 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.710 -6.096 -1.489 1.00 0.46 H new ATOM 0 HG LEU A 10 0.032 -3.872 -0.575 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.778 -2.175 -0.192 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.883 -3.512 0.979 1.00 0.88 H new ATOM 0 HD13 LEU A 10 3.029 -3.427 -0.381 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.930 -2.577 -2.465 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.139 -3.851 -2.754 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.407 -4.204 -2.963 1.00 0.79 H new ATOM 153 N ARG A 11 -1.101 -7.090 0.479 1.00 0.39 N ATOM 154 CA ARG A 11 -2.525 -7.234 0.734 1.00 0.44 C ATOM 155 C ARG A 11 -2.819 -7.215 2.228 1.00 0.44 C ATOM 156 O ARG A 11 -3.788 -6.588 2.666 1.00 0.48 O ATOM 157 CB ARG A 11 -3.043 -8.513 0.091 1.00 0.52 C ATOM 158 CG ARG A 11 -4.550 -8.627 0.062 1.00 0.70 C ATOM 159 CD ARG A 11 -4.988 -9.874 -0.674 1.00 0.85 C ATOM 160 NE ARG A 11 -4.498 -9.920 -2.074 1.00 1.22 N ATOM 161 CZ ARG A 11 -3.752 -10.927 -2.577 1.00 1.67 C ATOM 162 NH1 ARG A 11 -3.386 -11.923 -1.775 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.397 -10.950 -3.873 1.00 2.23 N ATOM 0 H ARG A 11 -0.722 -7.815 -0.130 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.044 -6.386 0.288 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.666 -8.571 -0.930 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.636 -9.368 0.630 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.936 -8.648 1.081 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -4.975 -7.747 -0.422 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -4.626 -10.752 -0.139 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -6.077 -9.927 -0.673 1.00 0.85 H new ATOM 0 HE ARG A 11 -4.739 -9.146 -2.693 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -3.669 -11.919 -0.795 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -2.822 -12.691 -2.140 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -3.691 -10.198 -4.496 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -2.833 -11.720 -4.234 1.00 2.23 H new ATOM 177 N ARG A 12 -1.953 -7.884 2.997 1.00 0.47 N ATOM 178 CA ARG A 12 -2.052 -7.921 4.453 1.00 0.54 C ATOM 179 C ARG A 12 -2.028 -6.512 5.012 1.00 0.54 C ATOM 180 O ARG A 12 -2.943 -6.100 5.693 1.00 0.62 O ATOM 181 CB ARG A 12 -0.876 -8.672 5.063 1.00 0.64 C ATOM 182 CG ARG A 12 -0.708 -10.105 4.628 1.00 1.04 C ATOM 183 CD ARG A 12 0.519 -10.677 5.286 1.00 1.27 C ATOM 184 NE ARG A 12 0.763 -12.083 4.965 1.00 1.78 N ATOM 185 CZ ARG A 12 1.862 -12.742 5.349 1.00 2.34 C ATOM 186 NH1 ARG A 12 2.782 -12.114 6.084 1.00 2.59 N ATOM 187 NH2 ARG A 12 2.025 -14.027 5.051 1.00 3.25 N ATOM 0 H ARG A 12 -1.165 -8.414 2.624 1.00 0.47 H new ATOM 0 HA ARG A 12 -2.986 -8.425 4.702 1.00 0.54 H new ATOM 0 HB2 ARG A 12 0.039 -8.131 4.822 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -0.982 -8.653 6.148 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -1.588 -10.687 4.902 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -0.614 -10.161 3.543 1.00 1.04 H new ATOM 0 HD2 ARG A 12 1.387 -10.090 4.986 1.00 1.27 H new ATOM 0 HD3 ARG A 12 0.422 -10.573 6.367 1.00 1.27 H new ATOM 0 HE ARG A 12 0.061 -12.586 4.422 1.00 1.78 H new ATOM 0 HH11 ARG A 12 2.644 -11.139 6.349 1.00 2.59 H new ATOM 0 HH12 ARG A 12 3.623 -12.609 6.381 1.00 2.59 H new ATOM 0 HH21 ARG A 12 1.307 -14.523 4.523 1.00 3.25 H new ATOM 0 HH22 ARG A 12 2.868 -14.517 5.350 1.00 3.25 H new ATOM 201 N ALA A 13 -1.011 -5.761 4.630 1.00 0.52 N ATOM 202 CA ALA A 13 -0.781 -4.423 5.155 1.00 0.59 C ATOM 203 C ALA A 13 -1.935 -3.496 4.830 1.00 0.59 C ATOM 204 O ALA A 13 -2.338 -2.689 5.670 1.00 0.69 O ATOM 205 CB ALA A 13 0.510 -3.873 4.599 1.00 0.66 C ATOM 0 H ALA A 13 -0.318 -6.061 3.945 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.707 -4.488 6.241 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.679 -2.871 4.994 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.337 -4.522 4.889 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.448 -3.828 3.512 1.00 0.66 H new ATOM 211 N LEU A 14 -2.468 -3.623 3.634 1.00 0.52 N ATOM 212 CA LEU A 14 -3.613 -2.857 3.215 1.00 0.55 C ATOM 213 C LEU A 14 -4.844 -3.222 4.051 1.00 0.58 C ATOM 214 O LEU A 14 -5.460 -2.353 4.670 1.00 0.68 O ATOM 215 CB LEU A 14 -3.869 -3.113 1.730 1.00 0.52 C ATOM 216 CG LEU A 14 -3.014 -2.346 0.692 1.00 0.56 C ATOM 217 CD1 LEU A 14 -3.477 -0.920 0.554 1.00 1.30 C ATOM 218 CD2 LEU A 14 -1.529 -2.352 1.013 1.00 1.05 C ATOM 0 H LEU A 14 -2.115 -4.265 2.924 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.414 -1.796 3.368 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.733 -4.179 1.549 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.916 -2.886 1.530 1.00 0.52 H new ATOM 0 HG LEU A 14 -3.154 -2.879 -0.248 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.858 -0.406 -0.182 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -4.517 -0.905 0.227 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -3.392 -0.415 1.516 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -0.989 -1.797 0.246 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -1.365 -1.883 1.983 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -1.167 -3.380 1.040 1.00 1.05 H new ATOM 230 N VAL A 15 -5.155 -4.520 4.129 1.00 0.57 N ATOM 231 CA VAL A 15 -6.347 -4.982 4.853 1.00 0.66 C ATOM 232 C VAL A 15 -6.237 -4.759 6.384 1.00 0.72 C ATOM 233 O VAL A 15 -7.234 -4.778 7.107 1.00 0.91 O ATOM 234 CB VAL A 15 -6.753 -6.462 4.496 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.781 -7.488 5.054 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.183 -6.777 4.910 1.00 1.01 C ATOM 0 H VAL A 15 -4.604 -5.265 3.704 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.165 -4.352 4.503 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.700 -6.534 3.410 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.110 -8.489 4.777 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.787 -7.307 4.645 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.747 -7.404 6.140 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.420 -7.807 4.645 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.287 -6.646 5.987 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.868 -6.103 4.395 1.00 1.01 H new ATOM 246 N GLU A 16 -5.028 -4.530 6.860 1.00 0.66 N ATOM 247 CA GLU A 16 -4.809 -4.218 8.261 1.00 0.79 C ATOM 248 C GLU A 16 -5.023 -2.735 8.514 1.00 0.83 C ATOM 249 O GLU A 16 -5.503 -2.346 9.581 1.00 0.98 O ATOM 250 CB GLU A 16 -3.395 -4.566 8.703 1.00 0.94 C ATOM 251 CG GLU A 16 -3.020 -6.031 8.673 1.00 1.08 C ATOM 252 CD GLU A 16 -1.600 -6.219 9.123 1.00 1.28 C ATOM 253 OE1 GLU A 16 -0.679 -6.060 8.300 1.00 1.71 O ATOM 254 OE2 GLU A 16 -1.367 -6.618 10.291 1.00 1.49 O ATOM 0 H GLU A 16 -4.179 -4.554 6.295 1.00 0.66 H new ATOM 0 HA GLU A 16 -5.523 -4.814 8.830 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -2.696 -4.022 8.069 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -3.255 -4.199 9.720 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -3.691 -6.598 9.319 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -3.143 -6.423 7.664 1.00 1.08 H new ATOM 261 N SER A 17 -4.659 -1.920 7.539 1.00 0.77 N ATOM 262 CA SER A 17 -4.735 -0.478 7.669 1.00 0.91 C ATOM 263 C SER A 17 -6.151 0.037 7.397 1.00 0.95 C ATOM 264 O SER A 17 -6.622 0.969 8.058 1.00 1.24 O ATOM 265 CB SER A 17 -3.728 0.180 6.729 1.00 0.98 C ATOM 266 OG SER A 17 -2.416 -0.337 6.953 1.00 1.24 O ATOM 0 H SER A 17 -4.304 -2.240 6.638 1.00 0.77 H new ATOM 0 HA SER A 17 -4.487 -0.213 8.697 1.00 0.91 H new ATOM 0 HB2 SER A 17 -4.021 0.005 5.694 1.00 0.98 H new ATOM 0 HB3 SER A 17 -3.730 1.259 6.883 1.00 0.98 H new ATOM 0 HG SER A 17 -2.331 -1.212 6.520 1.00 1.24 H new ATOM 272 N ALA A 18 -6.814 -0.545 6.422 1.00 0.83 N ATOM 273 CA ALA A 18 -8.174 -0.172 6.119 1.00 0.94 C ATOM 274 C ALA A 18 -9.125 -0.832 7.100 1.00 1.41 C ATOM 275 O ALA A 18 -9.317 -2.053 7.069 1.00 2.05 O ATOM 276 CB ALA A 18 -8.539 -0.548 4.696 1.00 1.05 C ATOM 0 H ALA A 18 -6.431 -1.279 5.826 1.00 0.83 H new ATOM 0 HA ALA A 18 -8.261 0.910 6.213 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -9.570 -0.255 4.495 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -7.874 -0.034 4.002 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.436 -1.625 4.567 1.00 1.05 H new ATOM 282 N GLY A 19 -9.675 -0.049 7.991 1.00 1.80 N ATOM 283 CA GLY A 19 -10.623 -0.570 8.927 1.00 2.47 C ATOM 284 C GLY A 19 -12.014 -0.437 8.381 1.00 2.48 C ATOM 285 O GLY A 19 -12.488 0.691 8.168 1.00 3.01 O ATOM 0 H GLY A 19 -9.481 0.948 8.084 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -10.404 -1.618 9.133 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -10.543 -0.035 9.873 1.00 2.47 H new ATOM 289 N GLU A 20 -12.648 -1.577 8.129 1.00 2.56 N ATOM 290 CA GLU A 20 -13.970 -1.669 7.518 1.00 2.99 C ATOM 291 C GLU A 20 -13.912 -1.280 6.048 1.00 3.37 C ATOM 292 O GLU A 20 -13.913 -0.089 5.682 1.00 3.90 O ATOM 293 CB GLU A 20 -15.064 -0.887 8.299 1.00 3.57 C ATOM 294 CG GLU A 20 -16.429 -0.810 7.602 1.00 4.14 C ATOM 295 CD GLU A 20 -17.018 -2.160 7.266 1.00 4.54 C ATOM 296 OE1 GLU A 20 -16.678 -2.728 6.206 1.00 4.80 O ATOM 297 OE2 GLU A 20 -17.857 -2.663 8.031 1.00 4.96 O ATOM 0 H GLU A 20 -12.246 -2.488 8.350 1.00 2.56 H new ATOM 0 HA GLU A 20 -14.276 -2.714 7.575 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -15.197 -1.355 9.275 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -14.707 0.127 8.478 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -17.125 -0.270 8.244 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -16.326 -0.230 6.685 1.00 4.14 H new ATOM 304 N THR A 21 -13.800 -2.271 5.220 1.00 3.68 N ATOM 305 CA THR A 21 -13.765 -2.069 3.817 1.00 4.48 C ATOM 306 C THR A 21 -14.496 -3.251 3.115 1.00 4.44 C ATOM 307 O THR A 21 -14.080 -3.758 2.072 1.00 4.98 O ATOM 308 CB THR A 21 -12.282 -1.868 3.339 1.00 5.48 C ATOM 309 OG1 THR A 21 -12.219 -1.436 1.976 1.00 5.80 O ATOM 310 CG2 THR A 21 -11.429 -3.121 3.537 1.00 6.23 C ATOM 0 H THR A 21 -13.730 -3.247 5.507 1.00 3.68 H new ATOM 0 HA THR A 21 -14.295 -1.157 3.541 1.00 4.48 H new ATOM 0 HB THR A 21 -11.866 -1.082 3.970 1.00 5.48 H new ATOM 0 HG1 THR A 21 -11.282 -1.320 1.713 1.00 5.80 H new ATOM 0 HG21 THR A 21 -10.414 -2.928 3.191 1.00 6.23 H new ATOM 0 HG22 THR A 21 -11.408 -3.383 4.595 1.00 6.23 H new ATOM 0 HG23 THR A 21 -11.856 -3.946 2.967 1.00 6.23 H new ATOM 318 N ASP A 22 -15.643 -3.630 3.693 1.00 4.14 N ATOM 319 CA ASP A 22 -16.528 -4.715 3.174 1.00 4.35 C ATOM 320 C ASP A 22 -16.929 -4.476 1.718 1.00 4.02 C ATOM 321 O ASP A 22 -16.983 -5.414 0.906 1.00 4.29 O ATOM 322 CB ASP A 22 -17.805 -4.797 4.030 1.00 4.92 C ATOM 323 CG ASP A 22 -18.827 -5.811 3.524 1.00 5.42 C ATOM 324 OD1 ASP A 22 -19.548 -5.507 2.548 1.00 5.76 O ATOM 325 OD2 ASP A 22 -18.896 -6.940 4.060 1.00 5.81 O ATOM 0 H ASP A 22 -15.999 -3.195 4.544 1.00 4.14 H new ATOM 0 HA ASP A 22 -15.967 -5.648 3.229 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -17.529 -5.054 5.053 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -18.271 -3.812 4.064 1.00 4.92 H new ATOM 330 N GLY A 23 -17.189 -3.214 1.395 1.00 3.87 N ATOM 331 CA GLY A 23 -17.609 -2.835 0.052 1.00 3.86 C ATOM 332 C GLY A 23 -16.504 -3.003 -0.971 1.00 3.70 C ATOM 333 O GLY A 23 -16.749 -3.004 -2.172 1.00 4.24 O ATOM 0 H GLY A 23 -17.116 -2.434 2.048 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -18.466 -3.441 -0.241 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -17.939 -1.796 0.058 1.00 3.86 H new ATOM 337 N THR A 24 -15.309 -3.153 -0.496 1.00 3.36 N ATOM 338 CA THR A 24 -14.177 -3.359 -1.325 1.00 3.53 C ATOM 339 C THR A 24 -13.815 -4.836 -1.233 1.00 2.73 C ATOM 340 O THR A 24 -14.265 -5.525 -0.314 1.00 3.11 O ATOM 341 CB THR A 24 -12.996 -2.544 -0.777 1.00 4.59 C ATOM 342 OG1 THR A 24 -13.415 -1.207 -0.483 1.00 5.10 O ATOM 343 CG2 THR A 24 -11.850 -2.503 -1.760 1.00 5.14 C ATOM 0 H THR A 24 -15.094 -3.134 0.501 1.00 3.36 H new ATOM 0 HA THR A 24 -14.390 -3.058 -2.351 1.00 3.53 H new ATOM 0 HB THR A 24 -12.652 -3.033 0.134 1.00 4.59 H new ATOM 0 HG1 THR A 24 -13.115 -0.961 0.417 1.00 5.10 H new ATOM 0 HG21 THR A 24 -11.031 -1.918 -1.340 1.00 5.14 H new ATOM 0 HG22 THR A 24 -11.506 -3.518 -1.960 1.00 5.14 H new ATOM 0 HG23 THR A 24 -12.185 -2.043 -2.690 1.00 5.14 H new ATOM 351 N ASP A 25 -13.039 -5.332 -2.154 1.00 2.22 N ATOM 352 CA ASP A 25 -12.542 -6.670 -2.030 1.00 2.06 C ATOM 353 C ASP A 25 -11.373 -6.635 -1.108 1.00 1.66 C ATOM 354 O ASP A 25 -11.494 -7.021 0.065 1.00 1.97 O ATOM 355 CB ASP A 25 -12.140 -7.282 -3.372 1.00 2.79 C ATOM 356 CG ASP A 25 -13.298 -7.485 -4.280 1.00 3.18 C ATOM 357 OD1 ASP A 25 -13.955 -8.544 -4.203 1.00 3.49 O ATOM 358 OD2 ASP A 25 -13.578 -6.610 -5.104 1.00 3.73 O ATOM 0 H ASP A 25 -12.739 -4.834 -2.992 1.00 2.22 H new ATOM 0 HA ASP A 25 -13.338 -7.303 -1.638 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -11.411 -6.634 -3.859 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -11.648 -8.239 -3.197 1.00 2.79 H new ATOM 363 N LEU A 26 -10.256 -6.093 -1.623 1.00 1.45 N ATOM 364 CA LEU A 26 -8.977 -5.940 -0.923 1.00 1.10 C ATOM 365 C LEU A 26 -8.388 -7.307 -0.558 1.00 1.10 C ATOM 366 O LEU A 26 -7.325 -7.682 -1.048 1.00 1.60 O ATOM 367 CB LEU A 26 -9.106 -5.003 0.292 1.00 0.99 C ATOM 368 CG LEU A 26 -7.796 -4.572 0.949 1.00 1.10 C ATOM 369 CD1 LEU A 26 -6.895 -3.889 -0.072 1.00 1.49 C ATOM 370 CD2 LEU A 26 -8.081 -3.626 2.097 1.00 1.62 C ATOM 0 H LEU A 26 -10.222 -5.736 -2.578 1.00 1.45 H new ATOM 0 HA LEU A 26 -8.271 -5.461 -1.602 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -9.644 -4.108 -0.020 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -9.720 -5.498 1.044 1.00 0.99 H new ATOM 0 HG LEU A 26 -7.288 -5.457 1.332 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -5.965 -3.587 0.409 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -6.675 -4.582 -0.884 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -7.400 -3.009 -0.472 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -7.142 -3.323 2.560 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -8.601 -2.745 1.722 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -8.705 -4.128 2.836 1.00 1.62 H new ATOM 382 N SER A 27 -9.088 -8.048 0.272 1.00 1.08 N ATOM 383 CA SER A 27 -8.733 -9.388 0.571 1.00 1.10 C ATOM 384 C SER A 27 -9.290 -10.235 -0.582 1.00 1.13 C ATOM 385 O SER A 27 -10.459 -10.622 -0.609 1.00 1.60 O ATOM 386 CB SER A 27 -9.291 -9.826 1.942 1.00 1.37 C ATOM 387 OG SER A 27 -8.718 -11.058 2.386 1.00 1.84 O ATOM 0 H SER A 27 -9.925 -7.720 0.755 1.00 1.08 H new ATOM 0 HA SER A 27 -7.653 -9.509 0.653 1.00 1.10 H new ATOM 0 HB2 SER A 27 -9.093 -9.048 2.679 1.00 1.37 H new ATOM 0 HB3 SER A 27 -10.374 -9.933 1.875 1.00 1.37 H new ATOM 0 HG SER A 27 -9.096 -11.299 3.257 1.00 1.84 H new ATOM 393 N GLY A 28 -8.467 -10.360 -1.562 1.00 0.95 N ATOM 394 CA GLY A 28 -8.736 -11.047 -2.788 1.00 1.09 C ATOM 395 C GLY A 28 -7.630 -10.649 -3.689 1.00 0.84 C ATOM 396 O GLY A 28 -6.671 -11.389 -3.866 1.00 1.04 O ATOM 0 H GLY A 28 -7.528 -9.963 -1.533 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -8.758 -12.127 -2.641 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -9.704 -10.761 -3.199 1.00 1.09 H new ATOM 400 N ASP A 29 -7.728 -9.451 -4.194 1.00 0.80 N ATOM 401 CA ASP A 29 -6.634 -8.788 -4.848 1.00 0.86 C ATOM 402 C ASP A 29 -6.944 -7.298 -4.859 1.00 0.77 C ATOM 403 O ASP A 29 -7.979 -6.896 -4.300 1.00 1.01 O ATOM 404 CB ASP A 29 -6.304 -9.335 -6.239 1.00 1.28 C ATOM 405 CG ASP A 29 -4.888 -8.950 -6.625 1.00 1.96 C ATOM 406 OD1 ASP A 29 -3.935 -9.695 -6.289 1.00 2.61 O ATOM 407 OD2 ASP A 29 -4.719 -7.948 -7.335 1.00 2.38 O ATOM 0 H ASP A 29 -8.585 -8.898 -4.162 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.720 -8.983 -4.286 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -6.410 -10.420 -6.247 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -7.009 -8.941 -6.971 1.00 1.28 H new ATOM 412 N PHE A 30 -6.089 -6.490 -5.482 1.00 0.58 N ATOM 413 CA PHE A 30 -6.155 -5.031 -5.363 1.00 0.52 C ATOM 414 C PHE A 30 -4.976 -4.364 -6.108 1.00 0.46 C ATOM 415 O PHE A 30 -5.037 -3.194 -6.437 1.00 0.44 O ATOM 416 CB PHE A 30 -6.041 -4.637 -3.854 1.00 0.56 C ATOM 417 CG PHE A 30 -4.681 -4.923 -3.233 1.00 0.57 C ATOM 418 CD1 PHE A 30 -4.169 -6.213 -3.168 1.00 0.67 C ATOM 419 CD2 PHE A 30 -3.912 -3.891 -2.746 1.00 0.73 C ATOM 420 CE1 PHE A 30 -2.931 -6.453 -2.642 1.00 0.84 C ATOM 421 CE2 PHE A 30 -2.670 -4.132 -2.209 1.00 0.86 C ATOM 422 CZ PHE A 30 -2.180 -5.410 -2.162 1.00 0.89 C ATOM 0 H PHE A 30 -5.334 -6.824 -6.081 1.00 0.58 H new ATOM 0 HA PHE A 30 -7.099 -4.696 -5.794 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.258 -3.574 -3.751 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.804 -5.174 -3.292 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -4.758 -7.038 -3.539 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -4.289 -2.880 -2.786 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -2.545 -7.461 -2.604 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -2.080 -3.313 -1.824 1.00 0.86 H new ATOM 0 HZ PHE A 30 -1.201 -5.597 -1.746 1.00 0.89 H new ATOM 432 N LEU A 31 -3.919 -5.148 -6.363 1.00 0.48 N ATOM 433 CA LEU A 31 -2.620 -4.664 -6.844 1.00 0.49 C ATOM 434 C LEU A 31 -2.690 -3.753 -8.083 1.00 0.43 C ATOM 435 O LEU A 31 -2.009 -2.720 -8.143 1.00 0.46 O ATOM 436 CB LEU A 31 -1.700 -5.851 -7.110 1.00 0.62 C ATOM 437 CG LEU A 31 -0.235 -5.513 -7.341 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.378 -4.932 -6.077 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.529 -6.736 -7.788 1.00 1.53 C ATOM 0 H LEU A 31 -3.946 -6.160 -6.237 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.220 -4.034 -6.049 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.767 -6.535 -6.264 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.072 -6.387 -7.983 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.173 -4.765 -8.132 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.427 -4.695 -6.257 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.157 -4.024 -5.797 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.304 -5.660 -5.269 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.575 -6.473 -7.948 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.462 -7.507 -7.021 1.00 1.53 H new ATOM 0 HD23 LEU A 31 0.103 -7.111 -8.718 1.00 1.53 H new ATOM 451 N ASP A 32 -3.503 -4.132 -9.043 1.00 0.43 N ATOM 452 CA ASP A 32 -3.602 -3.414 -10.316 1.00 0.49 C ATOM 453 C ASP A 32 -4.762 -2.430 -10.318 1.00 0.41 C ATOM 454 O ASP A 32 -4.981 -1.703 -11.306 1.00 0.51 O ATOM 455 CB ASP A 32 -3.766 -4.406 -11.472 1.00 0.68 C ATOM 456 CG ASP A 32 -5.017 -5.250 -11.352 1.00 1.43 C ATOM 457 OD1 ASP A 32 -5.045 -6.181 -10.545 1.00 2.17 O ATOM 458 OD2 ASP A 32 -6.012 -4.965 -12.062 1.00 1.99 O ATOM 0 H ASP A 32 -4.117 -4.943 -8.974 1.00 0.43 H new ATOM 0 HA ASP A 32 -2.679 -2.849 -10.446 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -3.793 -3.857 -12.414 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -2.895 -5.060 -11.509 1.00 0.68 H new ATOM 463 N LEU A 33 -5.490 -2.395 -9.235 1.00 0.36 N ATOM 464 CA LEU A 33 -6.604 -1.486 -9.098 1.00 0.35 C ATOM 465 C LEU A 33 -6.090 -0.164 -8.559 1.00 0.32 C ATOM 466 O LEU A 33 -5.012 -0.108 -7.995 1.00 0.38 O ATOM 467 CB LEU A 33 -7.664 -2.068 -8.150 1.00 0.46 C ATOM 468 CG LEU A 33 -8.271 -3.417 -8.557 1.00 0.70 C ATOM 469 CD1 LEU A 33 -9.262 -3.891 -7.506 1.00 1.56 C ATOM 470 CD2 LEU A 33 -8.950 -3.317 -9.919 1.00 1.56 C ATOM 0 H LEU A 33 -5.332 -2.992 -8.423 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.070 -1.334 -10.071 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.216 -2.178 -7.162 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.473 -1.343 -8.055 1.00 0.46 H new ATOM 0 HG LEU A 33 -7.464 -4.146 -8.630 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -9.684 -4.849 -7.810 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -8.751 -4.006 -6.550 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -10.062 -3.158 -7.404 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -9.373 -4.285 -10.187 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -9.746 -2.573 -9.875 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -8.217 -3.021 -10.670 1.00 1.56 H new ATOM 482 N ARG A 34 -6.832 0.890 -8.748 1.00 0.39 N ATOM 483 CA ARG A 34 -6.454 2.184 -8.205 1.00 0.49 C ATOM 484 C ARG A 34 -6.758 2.154 -6.712 1.00 0.45 C ATOM 485 O ARG A 34 -7.689 1.452 -6.302 1.00 0.50 O ATOM 486 CB ARG A 34 -7.312 3.292 -8.851 1.00 0.73 C ATOM 487 CG ARG A 34 -7.239 3.367 -10.370 1.00 0.89 C ATOM 488 CD ARG A 34 -5.963 4.017 -10.863 1.00 0.95 C ATOM 489 NE ARG A 34 -5.972 5.470 -10.653 1.00 1.79 N ATOM 490 CZ ARG A 34 -5.167 6.344 -11.274 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.253 5.920 -12.161 1.00 2.76 N ATOM 492 NH2 ARG A 34 -5.286 7.642 -11.014 1.00 3.48 N ATOM 0 H ARG A 34 -7.706 0.889 -9.274 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.400 2.383 -8.399 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.352 3.140 -8.560 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.004 4.254 -8.441 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -7.312 2.361 -10.783 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -8.095 3.928 -10.743 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -5.109 3.581 -10.344 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -5.834 3.804 -11.924 1.00 0.95 H new ATOM 0 HE ARG A 34 -6.643 5.844 -9.982 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -4.166 4.925 -12.368 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -3.645 6.593 -12.628 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -5.986 7.966 -10.346 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -4.678 8.314 -11.482 1.00 3.48 H new ATOM 506 N PHE A 35 -5.980 2.864 -5.886 1.00 0.43 N ATOM 507 CA PHE A 35 -6.332 3.023 -4.452 1.00 0.43 C ATOM 508 C PHE A 35 -7.774 3.525 -4.317 1.00 0.48 C ATOM 509 O PHE A 35 -8.503 3.172 -3.387 1.00 0.52 O ATOM 510 CB PHE A 35 -5.364 3.956 -3.705 1.00 0.44 C ATOM 511 CG PHE A 35 -4.023 3.343 -3.392 1.00 0.47 C ATOM 512 CD1 PHE A 35 -3.899 2.427 -2.362 1.00 0.52 C ATOM 513 CD2 PHE A 35 -2.897 3.693 -4.101 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.675 1.871 -2.049 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.668 3.138 -3.797 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.556 2.228 -2.770 1.00 0.60 C ATOM 0 H PHE A 35 -5.119 3.332 -6.168 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.244 2.041 -3.987 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.208 4.853 -4.304 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.831 4.273 -2.773 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.773 2.143 -1.795 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -2.974 4.410 -4.905 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.594 1.158 -1.242 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.794 3.419 -4.366 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.596 1.796 -2.530 1.00 0.60 H new ATOM 526 N GLU A 36 -8.158 4.319 -5.294 1.00 0.53 N ATOM 527 CA GLU A 36 -9.497 4.860 -5.461 1.00 0.67 C ATOM 528 C GLU A 36 -10.559 3.744 -5.454 1.00 0.73 C ATOM 529 O GLU A 36 -11.626 3.899 -4.882 1.00 0.87 O ATOM 530 CB GLU A 36 -9.557 5.588 -6.795 1.00 0.75 C ATOM 531 CG GLU A 36 -8.479 6.643 -6.966 1.00 1.26 C ATOM 532 CD GLU A 36 -8.512 7.273 -8.327 1.00 1.59 C ATOM 533 OE1 GLU A 36 -7.869 6.745 -9.253 1.00 1.90 O ATOM 534 OE2 GLU A 36 -9.189 8.306 -8.500 1.00 2.04 O ATOM 0 H GLU A 36 -7.518 4.621 -6.029 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.707 5.536 -4.632 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -9.470 4.859 -7.601 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -10.534 6.060 -6.897 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.605 7.415 -6.207 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -7.501 6.191 -6.801 1.00 1.26 H new ATOM 541 N ASP A 37 -10.218 2.600 -6.031 1.00 0.70 N ATOM 542 CA ASP A 37 -11.160 1.487 -6.157 1.00 0.83 C ATOM 543 C ASP A 37 -11.193 0.670 -4.903 1.00 0.82 C ATOM 544 O ASP A 37 -12.194 0.003 -4.608 1.00 0.98 O ATOM 545 CB ASP A 37 -10.800 0.551 -7.327 1.00 0.94 C ATOM 546 CG ASP A 37 -11.018 1.152 -8.683 1.00 1.41 C ATOM 547 OD1 ASP A 37 -12.173 1.201 -9.154 1.00 1.71 O ATOM 548 OD2 ASP A 37 -10.039 1.616 -9.298 1.00 2.12 O ATOM 0 H ASP A 37 -9.294 2.414 -6.422 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.136 1.935 -6.345 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -9.754 0.259 -7.235 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -11.394 -0.359 -7.245 1.00 0.94 H new ATOM 553 N ILE A 38 -10.121 0.733 -4.138 1.00 0.68 N ATOM 554 CA ILE A 38 -10.024 -0.057 -2.941 1.00 0.70 C ATOM 555 C ILE A 38 -10.379 0.729 -1.688 1.00 0.72 C ATOM 556 O ILE A 38 -9.983 0.373 -0.576 1.00 0.82 O ATOM 557 CB ILE A 38 -8.666 -0.795 -2.789 1.00 0.69 C ATOM 558 CG1 ILE A 38 -7.489 0.185 -2.706 1.00 0.63 C ATOM 559 CG2 ILE A 38 -8.483 -1.762 -3.952 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.146 -0.483 -2.474 1.00 0.75 C ATOM 0 H ILE A 38 -9.311 1.323 -4.329 1.00 0.68 H new ATOM 0 HA ILE A 38 -10.779 -0.835 -3.058 1.00 0.70 H new ATOM 0 HB ILE A 38 -8.681 -1.352 -1.852 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -7.442 0.760 -3.631 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -7.675 0.893 -1.899 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -7.530 -2.281 -3.847 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.295 -2.490 -3.951 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.493 -1.208 -4.891 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.365 0.276 -2.427 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -6.172 -1.035 -1.535 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -5.935 -1.170 -3.293 1.00 0.75 H new ATOM 572 N GLY A 39 -11.199 1.748 -1.874 1.00 0.75 N ATOM 573 CA GLY A 39 -11.714 2.526 -0.774 1.00 0.87 C ATOM 574 C GLY A 39 -10.673 3.382 -0.085 1.00 0.68 C ATOM 575 O GLY A 39 -10.737 3.584 1.132 1.00 0.76 O ATOM 0 H GLY A 39 -11.523 2.055 -2.791 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.514 3.169 -1.140 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -12.158 1.852 -0.042 1.00 0.87 H new ATOM 579 N TYR A 40 -9.703 3.842 -0.824 1.00 0.55 N ATOM 580 CA TYR A 40 -8.695 4.734 -0.297 1.00 0.52 C ATOM 581 C TYR A 40 -8.867 6.103 -0.901 1.00 0.56 C ATOM 582 O TYR A 40 -8.775 6.272 -2.119 1.00 0.71 O ATOM 583 CB TYR A 40 -7.277 4.215 -0.565 1.00 0.60 C ATOM 584 CG TYR A 40 -6.750 3.178 0.398 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.579 2.161 0.824 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.443 3.202 0.873 1.00 0.62 C ATOM 587 CE1 TYR A 40 -7.137 1.200 1.690 1.00 0.94 C ATOM 588 CE2 TYR A 40 -4.988 2.234 1.747 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.719 1.316 2.173 1.00 0.93 C ATOM 590 OH TYR A 40 -5.411 0.257 3.018 1.00 1.21 O ATOM 0 H TYR A 40 -9.584 3.612 -1.811 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.825 4.788 0.784 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.252 3.793 -1.570 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.595 5.065 -0.559 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -8.597 2.123 0.466 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -4.775 3.988 0.554 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.779 0.393 2.013 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -3.960 2.273 2.075 1.00 0.79 H new ATOM 0 HH TYR A 40 -4.605 0.473 3.533 1.00 1.21 H new ATOM 600 N ASP A 41 -9.166 7.057 -0.070 1.00 0.58 N ATOM 601 CA ASP A 41 -9.331 8.431 -0.515 1.00 0.77 C ATOM 602 C ASP A 41 -8.013 9.158 -0.505 1.00 0.91 C ATOM 603 O ASP A 41 -7.603 9.722 -1.521 1.00 1.78 O ATOM 604 CB ASP A 41 -10.346 9.168 0.356 1.00 0.86 C ATOM 605 CG ASP A 41 -10.548 10.628 -0.030 1.00 1.62 C ATOM 606 OD1 ASP A 41 -9.819 11.496 0.489 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.394 10.927 -0.902 1.00 2.34 O ATOM 0 H ASP A 41 -9.304 6.918 0.931 1.00 0.58 H new ATOM 0 HA ASP A 41 -9.707 8.407 -1.538 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -11.304 8.651 0.297 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -10.021 9.119 1.395 1.00 0.86 H new ATOM 612 N SER A 42 -7.320 9.065 0.627 1.00 0.59 N ATOM 613 CA SER A 42 -6.079 9.805 0.883 1.00 0.58 C ATOM 614 C SER A 42 -5.564 9.573 2.323 1.00 0.51 C ATOM 615 O SER A 42 -4.409 9.182 2.517 1.00 0.51 O ATOM 616 CB SER A 42 -6.335 11.305 0.595 1.00 0.71 C ATOM 617 OG SER A 42 -5.529 12.187 1.374 1.00 0.97 O ATOM 0 H SER A 42 -7.604 8.468 1.404 1.00 0.59 H new ATOM 0 HA SER A 42 -5.293 9.441 0.222 1.00 0.58 H new ATOM 0 HB2 SER A 42 -6.152 11.499 -0.462 1.00 0.71 H new ATOM 0 HB3 SER A 42 -7.386 11.527 0.782 1.00 0.71 H new ATOM 622 N LEU A 43 -6.416 9.777 3.305 1.00 0.48 N ATOM 623 CA LEU A 43 -6.060 9.599 4.713 1.00 0.51 C ATOM 624 C LEU A 43 -5.621 8.151 4.973 1.00 0.46 C ATOM 625 O LEU A 43 -4.592 7.906 5.594 1.00 0.50 O ATOM 626 CB LEU A 43 -7.254 10.019 5.598 1.00 0.60 C ATOM 627 CG LEU A 43 -7.032 10.126 7.121 1.00 0.76 C ATOM 628 CD1 LEU A 43 -8.107 11.003 7.709 1.00 1.40 C ATOM 629 CD2 LEU A 43 -7.085 8.759 7.801 1.00 1.64 C ATOM 0 H LEU A 43 -7.381 10.072 3.158 1.00 0.48 H new ATOM 0 HA LEU A 43 -5.213 10.236 4.968 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -7.606 10.988 5.244 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -8.061 9.306 5.429 1.00 0.60 H new ATOM 0 HG LEU A 43 -6.042 10.550 7.289 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -7.960 11.086 8.786 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -8.055 11.994 7.258 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -9.084 10.564 7.509 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -6.924 8.879 8.872 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -8.061 8.305 7.629 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -6.308 8.116 7.387 1.00 1.64 H new ATOM 641 N ALA A 44 -6.361 7.202 4.417 1.00 0.44 N ATOM 642 CA ALA A 44 -6.059 5.776 4.576 1.00 0.45 C ATOM 643 C ALA A 44 -4.735 5.417 3.902 1.00 0.41 C ATOM 644 O ALA A 44 -4.084 4.418 4.249 1.00 0.47 O ATOM 645 CB ALA A 44 -7.184 4.926 3.991 1.00 0.51 C ATOM 0 H ALA A 44 -7.184 7.391 3.845 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.971 5.569 5.643 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.945 3.870 4.117 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -8.117 5.151 4.508 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -7.295 5.149 2.930 1.00 0.51 H new ATOM 651 N LEU A 45 -4.324 6.245 2.970 1.00 0.39 N ATOM 652 CA LEU A 45 -3.122 6.006 2.219 1.00 0.42 C ATOM 653 C LEU A 45 -1.892 6.312 3.076 1.00 0.41 C ATOM 654 O LEU A 45 -0.909 5.563 3.036 1.00 0.44 O ATOM 655 CB LEU A 45 -3.144 6.815 0.911 1.00 0.50 C ATOM 656 CG LEU A 45 -1.964 6.636 -0.049 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.797 5.173 -0.430 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.191 7.474 -1.298 1.00 0.90 C ATOM 0 H LEU A 45 -4.816 7.101 2.714 1.00 0.39 H new ATOM 0 HA LEU A 45 -3.067 4.952 1.945 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -4.057 6.561 0.373 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.210 7.872 1.170 1.00 0.50 H new ATOM 0 HG LEU A 45 -1.054 6.967 0.451 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -0.953 5.069 -1.112 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.613 4.582 0.467 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.705 4.818 -0.918 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.351 7.346 -1.980 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.109 7.153 -1.789 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.276 8.525 -1.021 1.00 0.90 H new ATOM 670 N MET A 46 -1.969 7.371 3.903 1.00 0.42 N ATOM 671 CA MET A 46 -0.834 7.712 4.775 1.00 0.48 C ATOM 672 C MET A 46 -0.675 6.636 5.838 1.00 0.46 C ATOM 673 O MET A 46 0.434 6.248 6.160 1.00 0.53 O ATOM 674 CB MET A 46 -0.956 9.103 5.471 1.00 0.57 C ATOM 675 CG MET A 46 -1.992 9.184 6.600 1.00 0.58 C ATOM 676 SD MET A 46 -1.852 10.682 7.586 1.00 1.46 S ATOM 677 CE MET A 46 -3.196 10.445 8.746 1.00 1.78 C ATOM 0 H MET A 46 -2.778 7.987 3.985 1.00 0.42 H new ATOM 0 HA MET A 46 0.040 7.768 4.127 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.019 9.375 5.875 1.00 0.57 H new ATOM 0 HB3 MET A 46 -1.207 9.848 4.716 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.992 9.132 6.170 1.00 0.58 H new ATOM 0 HG3 MET A 46 -1.879 8.317 7.251 1.00 0.58 H new ATOM 0 HE1 MET A 46 -3.557 11.415 9.088 1.00 1.78 H new ATOM 0 HE2 MET A 46 -4.008 9.908 8.257 1.00 1.78 H new ATOM 0 HE3 MET A 46 -2.842 9.868 9.600 1.00 1.78 H new ATOM 687 N GLU A 47 -1.815 6.121 6.321 1.00 0.44 N ATOM 688 CA GLU A 47 -1.855 5.108 7.375 1.00 0.49 C ATOM 689 C GLU A 47 -1.110 3.871 6.915 1.00 0.47 C ATOM 690 O GLU A 47 -0.212 3.386 7.592 1.00 0.51 O ATOM 691 CB GLU A 47 -3.312 4.730 7.662 1.00 0.54 C ATOM 692 CG GLU A 47 -4.198 5.880 8.110 1.00 0.78 C ATOM 693 CD GLU A 47 -3.887 6.369 9.499 1.00 1.06 C ATOM 694 OE1 GLU A 47 -4.491 5.847 10.463 1.00 1.03 O ATOM 695 OE2 GLU A 47 -3.089 7.293 9.663 1.00 1.88 O ATOM 0 H GLU A 47 -2.738 6.400 5.987 1.00 0.44 H new ATOM 0 HA GLU A 47 -1.390 5.507 8.276 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.741 4.290 6.762 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -3.326 3.959 8.432 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -4.089 6.707 7.409 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -5.240 5.563 8.069 1.00 0.78 H new ATOM 702 N THR A 48 -1.470 3.409 5.740 1.00 0.45 N ATOM 703 CA THR A 48 -0.876 2.245 5.142 1.00 0.48 C ATOM 704 C THR A 48 0.639 2.471 4.905 1.00 0.44 C ATOM 705 O THR A 48 1.475 1.711 5.410 1.00 0.46 O ATOM 706 CB THR A 48 -1.592 1.958 3.810 1.00 0.54 C ATOM 707 OG1 THR A 48 -3.020 1.914 4.048 1.00 0.63 O ATOM 708 CG2 THR A 48 -1.145 0.619 3.239 1.00 0.65 C ATOM 0 H THR A 48 -2.195 3.841 5.167 1.00 0.45 H new ATOM 0 HA THR A 48 -0.986 1.391 5.810 1.00 0.48 H new ATOM 0 HB THR A 48 -1.345 2.745 3.098 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.389 2.820 3.989 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.662 0.434 2.298 1.00 0.65 H new ATOM 0 HG22 THR A 48 -0.069 0.639 3.064 1.00 0.65 H new ATOM 0 HG23 THR A 48 -1.383 -0.176 3.946 1.00 0.65 H new ATOM 716 N ALA A 49 0.967 3.525 4.157 1.00 0.45 N ATOM 717 CA ALA A 49 2.349 3.841 3.784 1.00 0.48 C ATOM 718 C ALA A 49 3.277 4.002 4.995 1.00 0.44 C ATOM 719 O ALA A 49 4.342 3.377 5.055 1.00 0.45 O ATOM 720 CB ALA A 49 2.385 5.093 2.918 1.00 0.57 C ATOM 0 H ALA A 49 0.282 4.186 3.791 1.00 0.45 H new ATOM 0 HA ALA A 49 2.725 2.990 3.216 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.416 5.318 2.647 1.00 0.57 H new ATOM 0 HB2 ALA A 49 1.800 4.927 2.013 1.00 0.57 H new ATOM 0 HB3 ALA A 49 1.964 5.932 3.473 1.00 0.57 H new ATOM 726 N ALA A 50 2.855 4.800 5.965 1.00 0.44 N ATOM 727 CA ALA A 50 3.675 5.106 7.140 1.00 0.46 C ATOM 728 C ALA A 50 3.913 3.873 7.998 1.00 0.44 C ATOM 729 O ALA A 50 4.972 3.729 8.627 1.00 0.44 O ATOM 730 CB ALA A 50 3.013 6.189 7.968 1.00 0.56 C ATOM 0 H ALA A 50 1.941 5.254 5.965 1.00 0.44 H new ATOM 0 HA ALA A 50 4.643 5.458 6.784 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.630 6.409 8.839 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.901 7.090 7.365 1.00 0.56 H new ATOM 0 HB3 ALA A 50 2.031 5.847 8.296 1.00 0.56 H new ATOM 736 N ARG A 51 2.939 2.985 7.995 1.00 0.46 N ATOM 737 CA ARG A 51 2.981 1.767 8.776 1.00 0.48 C ATOM 738 C ARG A 51 3.990 0.787 8.164 1.00 0.46 C ATOM 739 O ARG A 51 4.596 -0.032 8.860 1.00 0.49 O ATOM 740 CB ARG A 51 1.591 1.143 8.777 1.00 0.54 C ATOM 741 CG ARG A 51 1.405 -0.012 9.719 1.00 0.78 C ATOM 742 CD ARG A 51 0.057 -0.659 9.498 1.00 0.80 C ATOM 743 NE ARG A 51 -0.202 -1.718 10.469 1.00 1.68 N ATOM 744 CZ ARG A 51 -0.384 -2.997 10.161 1.00 2.07 C ATOM 745 NH1 ARG A 51 -0.309 -3.384 8.887 1.00 1.80 N ATOM 746 NH2 ARG A 51 -0.668 -3.888 11.115 1.00 3.14 N ATOM 0 H ARG A 51 2.087 3.091 7.444 1.00 0.46 H new ATOM 0 HA ARG A 51 3.290 1.992 9.797 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.864 1.916 9.028 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.362 0.806 7.766 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.197 -0.745 9.567 1.00 0.78 H new ATOM 0 HG3 ARG A 51 1.485 0.334 10.749 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.725 0.097 9.568 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.013 -1.071 8.490 1.00 0.80 H new ATOM 0 HE ARG A 51 -0.246 -1.457 11.454 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -0.113 -2.699 8.157 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -0.448 -4.365 8.643 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -0.746 -3.587 12.087 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -0.807 -4.869 10.872 1.00 3.14 H new ATOM 760 N LEU A 52 4.156 0.873 6.858 1.00 0.44 N ATOM 761 CA LEU A 52 5.078 0.011 6.139 1.00 0.46 C ATOM 762 C LEU A 52 6.502 0.395 6.431 1.00 0.38 C ATOM 763 O LEU A 52 7.372 -0.478 6.602 1.00 0.40 O ATOM 764 CB LEU A 52 4.821 0.085 4.633 1.00 0.55 C ATOM 765 CG LEU A 52 3.476 -0.446 4.165 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.309 -0.230 2.679 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.357 -1.914 4.496 1.00 0.80 C ATOM 0 H LEU A 52 3.659 1.539 6.267 1.00 0.44 H new ATOM 0 HA LEU A 52 4.913 -1.012 6.476 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.909 1.125 4.319 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.607 -0.470 4.122 1.00 0.55 H new ATOM 0 HG LEU A 52 2.687 0.099 4.683 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.340 -0.616 2.362 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.365 0.836 2.458 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.101 -0.753 2.144 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.390 -2.286 4.157 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.154 -2.465 3.996 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.441 -2.052 5.574 1.00 0.80 H new ATOM 779 N GLU A 53 6.728 1.697 6.521 1.00 0.35 N ATOM 780 CA GLU A 53 8.044 2.262 6.746 1.00 0.33 C ATOM 781 C GLU A 53 8.682 1.719 8.005 1.00 0.34 C ATOM 782 O GLU A 53 9.724 1.069 7.940 1.00 0.41 O ATOM 783 CB GLU A 53 7.973 3.781 6.799 1.00 0.34 C ATOM 784 CG GLU A 53 7.450 4.404 5.526 1.00 0.35 C ATOM 785 CD GLU A 53 7.367 5.900 5.615 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.685 6.415 6.518 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.028 6.592 4.809 1.00 0.49 O ATOM 0 H GLU A 53 5.991 2.397 6.438 1.00 0.35 H new ATOM 0 HA GLU A 53 8.672 1.968 5.906 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.333 4.078 7.629 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.967 4.176 7.006 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.099 4.127 4.695 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.462 4.000 5.306 1.00 0.35 H new ATOM 794 N SER A 54 8.044 1.943 9.127 1.00 0.36 N ATOM 795 CA SER A 54 8.558 1.517 10.405 1.00 0.43 C ATOM 796 C SER A 54 8.645 -0.020 10.525 1.00 0.42 C ATOM 797 O SER A 54 9.621 -0.557 11.065 1.00 0.48 O ATOM 798 CB SER A 54 7.691 2.117 11.502 1.00 0.55 C ATOM 799 OG SER A 54 6.317 1.927 11.199 1.00 1.22 O ATOM 0 H SER A 54 7.149 2.429 9.180 1.00 0.36 H new ATOM 0 HA SER A 54 9.582 1.877 10.508 1.00 0.43 H new ATOM 0 HB2 SER A 54 7.928 1.651 12.459 1.00 0.55 H new ATOM 0 HB3 SER A 54 7.905 3.181 11.604 1.00 0.55 H new ATOM 0 HG SER A 54 5.768 2.315 11.912 1.00 1.22 H new ATOM 805 N ARG A 55 7.641 -0.708 9.993 1.00 0.44 N ATOM 806 CA ARG A 55 7.542 -2.163 10.101 1.00 0.51 C ATOM 807 C ARG A 55 8.645 -2.886 9.318 1.00 0.56 C ATOM 808 O ARG A 55 9.310 -3.790 9.849 1.00 0.64 O ATOM 809 CB ARG A 55 6.165 -2.633 9.622 1.00 0.60 C ATOM 810 CG ARG A 55 5.847 -4.096 9.905 1.00 0.77 C ATOM 811 CD ARG A 55 4.467 -4.447 9.377 1.00 0.95 C ATOM 812 NE ARG A 55 4.010 -5.775 9.810 1.00 1.51 N ATOM 813 CZ ARG A 55 2.790 -6.288 9.562 1.00 1.97 C ATOM 814 NH1 ARG A 55 1.973 -5.691 8.696 1.00 1.87 N ATOM 815 NH2 ARG A 55 2.412 -7.414 10.143 1.00 2.88 N ATOM 0 H ARG A 55 6.874 -0.277 9.476 1.00 0.44 H new ATOM 0 HA ARG A 55 7.673 -2.417 11.153 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.402 -2.014 10.094 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.094 -2.463 8.548 1.00 0.60 H new ATOM 0 HG2 ARG A 55 6.596 -4.735 9.437 1.00 0.77 H new ATOM 0 HG3 ARG A 55 5.892 -4.284 10.978 1.00 0.77 H new ATOM 0 HD2 ARG A 55 3.753 -3.695 9.713 1.00 0.95 H new ATOM 0 HD3 ARG A 55 4.480 -4.410 8.288 1.00 0.95 H new ATOM 0 HE ARG A 55 4.666 -6.351 10.338 1.00 1.51 H new ATOM 0 HH11 ARG A 55 2.270 -4.841 8.217 1.00 1.87 H new ATOM 0 HH12 ARG A 55 1.050 -6.084 8.512 1.00 1.87 H new ATOM 0 HH21 ARG A 55 3.045 -7.896 10.781 1.00 2.88 H new ATOM 0 HH22 ARG A 55 1.487 -7.800 9.953 1.00 2.88 H new ATOM 829 N TYR A 56 8.847 -2.498 8.071 1.00 0.56 N ATOM 830 CA TYR A 56 9.809 -3.200 7.218 1.00 0.67 C ATOM 831 C TYR A 56 11.167 -2.509 7.152 1.00 0.70 C ATOM 832 O TYR A 56 12.137 -3.086 6.646 1.00 0.86 O ATOM 833 CB TYR A 56 9.245 -3.423 5.808 1.00 0.75 C ATOM 834 CG TYR A 56 7.997 -4.287 5.773 1.00 0.85 C ATOM 835 CD1 TYR A 56 8.081 -5.671 5.897 1.00 1.09 C ATOM 836 CD2 TYR A 56 6.741 -3.719 5.623 1.00 0.82 C ATOM 837 CE1 TYR A 56 6.946 -6.462 5.871 1.00 1.24 C ATOM 838 CE2 TYR A 56 5.604 -4.501 5.597 1.00 0.96 C ATOM 839 CZ TYR A 56 5.709 -5.873 5.721 1.00 1.17 C ATOM 840 OH TYR A 56 4.570 -6.651 5.692 1.00 1.33 O ATOM 0 H TYR A 56 8.370 -1.714 7.626 1.00 0.56 H new ATOM 0 HA TYR A 56 9.974 -4.170 7.686 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.017 -2.455 5.361 1.00 0.75 H new ATOM 0 HB3 TYR A 56 10.013 -3.887 5.189 1.00 0.75 H new ATOM 0 HD1 TYR A 56 9.049 -6.135 6.016 1.00 1.09 H new ATOM 0 HD2 TYR A 56 6.651 -2.647 5.525 1.00 0.82 H new ATOM 0 HE1 TYR A 56 7.029 -7.534 5.968 1.00 1.24 H new ATOM 0 HE2 TYR A 56 4.634 -4.041 5.480 1.00 0.96 H new ATOM 0 HH TYR A 56 3.784 -6.076 5.581 1.00 1.33 H new ATOM 850 N GLY A 57 11.245 -1.303 7.661 1.00 0.61 N ATOM 851 CA GLY A 57 12.499 -0.584 7.644 1.00 0.68 C ATOM 852 C GLY A 57 12.733 0.085 6.315 1.00 0.72 C ATOM 853 O GLY A 57 13.844 0.067 5.787 1.00 0.91 O ATOM 0 H GLY A 57 10.466 -0.802 8.088 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.501 0.166 8.435 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.317 -1.272 7.855 1.00 0.68 H new ATOM 857 N VAL A 58 11.685 0.671 5.780 1.00 0.62 N ATOM 858 CA VAL A 58 11.741 1.358 4.502 1.00 0.65 C ATOM 859 C VAL A 58 11.416 2.828 4.703 1.00 0.57 C ATOM 860 O VAL A 58 11.044 3.232 5.810 1.00 0.50 O ATOM 861 CB VAL A 58 10.784 0.753 3.418 1.00 0.67 C ATOM 862 CG1 VAL A 58 11.109 -0.697 3.143 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.322 0.891 3.822 1.00 0.57 C ATOM 0 H VAL A 58 10.764 0.686 6.219 1.00 0.62 H new ATOM 0 HA VAL A 58 12.756 1.230 4.125 1.00 0.65 H new ATOM 0 HB VAL A 58 10.943 1.323 2.503 1.00 0.67 H new ATOM 0 HG11 VAL A 58 10.427 -1.086 2.387 1.00 0.81 H new ATOM 0 HG12 VAL A 58 12.134 -0.778 2.783 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.000 -1.275 4.061 1.00 0.81 H new ATOM 0 HG21 VAL A 58 8.688 0.461 3.047 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.153 0.365 4.762 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.077 1.946 3.947 1.00 0.57 H new ATOM 873 N SER A 59 11.550 3.606 3.676 1.00 0.63 N ATOM 874 CA SER A 59 11.215 4.999 3.713 1.00 0.63 C ATOM 875 C SER A 59 10.534 5.385 2.397 1.00 0.62 C ATOM 876 O SER A 59 11.093 5.192 1.312 1.00 0.73 O ATOM 877 CB SER A 59 12.484 5.824 3.993 1.00 0.83 C ATOM 878 OG SER A 59 13.578 5.372 3.195 1.00 1.41 O ATOM 0 H SER A 59 11.901 3.289 2.772 1.00 0.63 H new ATOM 0 HA SER A 59 10.512 5.210 4.519 1.00 0.63 H new ATOM 0 HB2 SER A 59 12.290 6.877 3.787 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.745 5.749 5.049 1.00 0.83 H new ATOM 0 HG SER A 59 13.246 5.075 2.322 1.00 1.41 H new ATOM 884 N ILE A 60 9.300 5.841 2.485 1.00 0.52 N ATOM 885 CA ILE A 60 8.537 6.202 1.310 1.00 0.53 C ATOM 886 C ILE A 60 8.614 7.709 1.077 1.00 0.59 C ATOM 887 O ILE A 60 8.073 8.491 1.872 1.00 0.67 O ATOM 888 CB ILE A 60 7.053 5.757 1.434 1.00 0.51 C ATOM 889 CG1 ILE A 60 6.983 4.240 1.680 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.266 6.139 0.172 1.00 0.57 C ATOM 891 CD1 ILE A 60 5.583 3.696 1.844 1.00 0.55 C ATOM 0 H ILE A 60 8.803 5.970 3.366 1.00 0.52 H new ATOM 0 HA ILE A 60 8.972 5.681 0.457 1.00 0.53 H new ATOM 0 HB ILE A 60 6.600 6.272 2.281 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.463 3.727 0.847 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.559 4.003 2.575 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.230 5.819 0.279 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.300 7.220 0.035 1.00 0.57 H new ATOM 0 HG23 ILE A 60 6.709 5.650 -0.695 1.00 0.57 H new ATOM 0 HD11 ILE A 60 5.628 2.620 2.013 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.103 4.177 2.696 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.006 3.897 0.941 1.00 0.55 H new ATOM 903 N PRO A 61 9.308 8.144 0.017 1.00 0.62 N ATOM 904 CA PRO A 61 9.435 9.564 -0.319 1.00 0.71 C ATOM 905 C PRO A 61 8.069 10.206 -0.571 1.00 0.65 C ATOM 906 O PRO A 61 7.168 9.576 -1.157 1.00 0.57 O ATOM 907 CB PRO A 61 10.271 9.555 -1.605 1.00 0.78 C ATOM 908 CG PRO A 61 10.984 8.255 -1.581 1.00 0.77 C ATOM 909 CD PRO A 61 10.043 7.294 -0.932 1.00 0.64 C ATOM 0 HA PRO A 61 9.887 10.143 0.486 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.639 9.644 -2.489 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.971 10.390 -1.628 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.242 7.931 -2.589 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.916 8.329 -1.021 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.376 6.829 -1.658 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.574 6.488 -0.425 1.00 0.64 H new ATOM 917 N ASP A 62 7.934 11.453 -0.155 1.00 0.75 N ATOM 918 CA ASP A 62 6.676 12.211 -0.233 1.00 0.78 C ATOM 919 C ASP A 62 6.167 12.306 -1.666 1.00 0.68 C ATOM 920 O ASP A 62 4.969 12.198 -1.920 1.00 0.67 O ATOM 921 CB ASP A 62 6.872 13.610 0.353 1.00 0.99 C ATOM 922 CG ASP A 62 5.615 14.449 0.341 1.00 1.34 C ATOM 923 OD1 ASP A 62 5.346 15.123 -0.665 1.00 2.03 O ATOM 924 OD2 ASP A 62 4.898 14.487 1.362 1.00 1.88 O ATOM 0 H ASP A 62 8.702 11.985 0.255 1.00 0.75 H new ATOM 0 HA ASP A 62 5.925 11.677 0.350 1.00 0.78 H new ATOM 0 HB2 ASP A 62 7.229 13.519 1.379 1.00 0.99 H new ATOM 0 HB3 ASP A 62 7.649 14.126 -0.211 1.00 0.99 H new ATOM 929 N ASP A 63 7.095 12.418 -2.606 1.00 0.67 N ATOM 930 CA ASP A 63 6.748 12.532 -4.027 1.00 0.67 C ATOM 931 C ASP A 63 6.229 11.227 -4.547 1.00 0.58 C ATOM 932 O ASP A 63 5.322 11.188 -5.374 1.00 0.60 O ATOM 933 CB ASP A 63 7.964 12.924 -4.874 1.00 0.85 C ATOM 934 CG ASP A 63 8.371 14.360 -4.750 1.00 1.44 C ATOM 935 OD1 ASP A 63 9.139 14.684 -3.827 1.00 2.23 O ATOM 936 OD2 ASP A 63 7.897 15.198 -5.540 1.00 1.95 O ATOM 0 H ASP A 63 8.097 12.433 -2.416 1.00 0.67 H new ATOM 0 HA ASP A 63 5.985 13.306 -4.104 1.00 0.67 H new ATOM 0 HB2 ASP A 63 8.807 12.295 -4.589 1.00 0.85 H new ATOM 0 HB3 ASP A 63 7.746 12.710 -5.920 1.00 0.85 H new ATOM 941 N VAL A 64 6.767 10.148 -4.036 1.00 0.60 N ATOM 942 CA VAL A 64 6.388 8.852 -4.514 1.00 0.64 C ATOM 943 C VAL A 64 5.031 8.462 -3.948 1.00 0.60 C ATOM 944 O VAL A 64 4.219 7.867 -4.639 1.00 0.58 O ATOM 945 CB VAL A 64 7.451 7.767 -4.210 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.035 6.432 -4.810 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.806 8.187 -4.763 1.00 0.98 C ATOM 0 H VAL A 64 7.465 10.146 -3.292 1.00 0.60 H new ATOM 0 HA VAL A 64 6.317 8.915 -5.600 1.00 0.64 H new ATOM 0 HB VAL A 64 7.530 7.655 -3.129 1.00 0.84 H new ATOM 0 HG11 VAL A 64 7.793 5.681 -4.587 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.081 6.123 -4.383 1.00 0.97 H new ATOM 0 HG13 VAL A 64 6.933 6.535 -5.890 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.544 7.416 -4.542 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.733 8.321 -5.842 1.00 0.98 H new ATOM 0 HG23 VAL A 64 9.113 9.125 -4.301 1.00 0.98 H new ATOM 957 N ALA A 65 4.766 8.889 -2.719 1.00 0.72 N ATOM 958 CA ALA A 65 3.499 8.604 -2.038 1.00 0.85 C ATOM 959 C ALA A 65 2.293 9.186 -2.792 1.00 0.80 C ATOM 960 O ALA A 65 1.178 8.710 -2.645 1.00 0.90 O ATOM 961 CB ALA A 65 3.536 9.125 -0.605 1.00 1.09 C ATOM 0 H ALA A 65 5.419 9.442 -2.163 1.00 0.72 H new ATOM 0 HA ALA A 65 3.376 7.521 -2.020 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.588 8.906 -0.113 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.347 8.640 -0.062 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.699 10.203 -0.614 1.00 1.09 H new ATOM 967 N GLY A 66 2.536 10.203 -3.603 1.00 0.73 N ATOM 968 CA GLY A 66 1.464 10.808 -4.355 1.00 0.81 C ATOM 969 C GLY A 66 1.341 10.258 -5.769 1.00 0.73 C ATOM 970 O GLY A 66 0.305 10.408 -6.408 1.00 0.92 O ATOM 0 H GLY A 66 3.456 10.618 -3.752 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.524 10.650 -3.827 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.625 11.885 -4.403 1.00 0.81 H new ATOM 974 N ARG A 67 2.386 9.604 -6.262 1.00 0.56 N ATOM 975 CA ARG A 67 2.377 9.095 -7.641 1.00 0.61 C ATOM 976 C ARG A 67 2.011 7.621 -7.693 1.00 0.58 C ATOM 977 O ARG A 67 1.891 7.030 -8.770 1.00 0.79 O ATOM 978 CB ARG A 67 3.721 9.343 -8.331 1.00 0.63 C ATOM 979 CG ARG A 67 4.895 8.624 -7.700 1.00 0.57 C ATOM 980 CD ARG A 67 6.215 9.075 -8.304 1.00 0.87 C ATOM 981 NE ARG A 67 6.408 10.529 -8.158 1.00 1.64 N ATOM 982 CZ ARG A 67 7.582 11.178 -8.232 1.00 2.30 C ATOM 983 NH1 ARG A 67 8.731 10.504 -8.332 1.00 2.40 N ATOM 984 NH2 ARG A 67 7.604 12.501 -8.152 1.00 3.30 N ATOM 0 H ARG A 67 3.242 9.412 -5.742 1.00 0.56 H new ATOM 0 HA ARG A 67 1.609 9.647 -8.183 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.641 9.036 -9.374 1.00 0.63 H new ATOM 0 HB3 ARG A 67 3.924 10.414 -8.329 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.903 8.811 -6.626 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.780 7.549 -7.836 1.00 0.57 H new ATOM 0 HD2 ARG A 67 7.037 8.548 -7.820 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.243 8.808 -9.360 1.00 0.87 H new ATOM 0 HE ARG A 67 5.576 11.093 -7.985 1.00 1.64 H new ATOM 0 HH11 ARG A 67 8.724 9.484 -8.353 1.00 2.40 H new ATOM 0 HH12 ARG A 67 9.615 11.009 -8.387 1.00 2.40 H new ATOM 0 HH21 ARG A 67 6.733 13.019 -8.035 1.00 3.30 H new ATOM 0 HH22 ARG A 67 8.492 13.001 -8.207 1.00 3.30 H new ATOM 998 N VAL A 68 1.857 7.027 -6.541 1.00 0.45 N ATOM 999 CA VAL A 68 1.465 5.648 -6.460 1.00 0.45 C ATOM 1000 C VAL A 68 -0.062 5.545 -6.494 1.00 0.46 C ATOM 1001 O VAL A 68 -0.740 5.695 -5.491 1.00 0.53 O ATOM 1002 CB VAL A 68 2.105 4.918 -5.224 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.612 4.853 -5.393 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.783 5.598 -3.900 1.00 0.85 C ATOM 0 H VAL A 68 1.999 7.482 -5.639 1.00 0.45 H new ATOM 0 HA VAL A 68 1.855 5.121 -7.331 1.00 0.45 H new ATOM 0 HB VAL A 68 1.674 3.917 -5.191 1.00 0.53 H new ATOM 0 HG11 VAL A 68 4.053 4.346 -4.534 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.853 4.302 -6.302 1.00 1.45 H new ATOM 0 HG13 VAL A 68 4.014 5.864 -5.464 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.253 5.048 -3.085 1.00 0.85 H new ATOM 0 HG22 VAL A 68 2.162 6.620 -3.914 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.703 5.614 -3.752 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.594 5.369 -7.684 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.047 5.345 -7.866 1.00 0.53 C ATOM 1016 C ASP A 69 -2.552 3.950 -7.649 1.00 0.42 C ATOM 1017 O ASP A 69 -3.661 3.740 -7.145 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.447 5.775 -9.273 1.00 0.71 C ATOM 1019 CG ASP A 69 -1.919 7.117 -9.693 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -2.467 8.141 -9.233 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -0.940 7.194 -10.455 1.00 2.04 O ATOM 0 H ASP A 69 -0.055 5.240 -8.540 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.479 6.040 -7.147 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -2.097 5.024 -9.981 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -3.535 5.791 -9.338 1.00 0.71 H new ATOM 1026 N THR A 70 -1.774 3.000 -8.071 1.00 0.35 N ATOM 1027 CA THR A 70 -2.065 1.627 -7.824 1.00 0.29 C ATOM 1028 C THR A 70 -1.119 1.119 -6.740 1.00 0.26 C ATOM 1029 O THR A 70 0.019 1.627 -6.609 1.00 0.29 O ATOM 1030 CB THR A 70 -1.901 0.774 -9.101 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.595 0.966 -9.645 1.00 0.50 O ATOM 1032 CG2 THR A 70 -2.943 1.142 -10.144 1.00 0.39 C ATOM 0 H THR A 70 -0.916 3.160 -8.599 1.00 0.35 H new ATOM 0 HA THR A 70 -3.102 1.540 -7.501 1.00 0.29 H new ATOM 0 HB THR A 70 -2.039 -0.273 -8.830 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.581 1.787 -10.181 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.803 0.525 -11.032 1.00 0.39 H new ATOM 0 HG22 THR A 70 -3.940 0.972 -9.738 1.00 0.39 H new ATOM 0 HG23 THR A 70 -2.835 2.193 -10.412 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.557 0.146 -5.923 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.717 -0.466 -4.894 1.00 0.31 C ATOM 1042 C PRO A 71 0.567 -1.045 -5.481 1.00 0.32 C ATOM 1043 O PRO A 71 1.576 -1.129 -4.799 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.594 -1.579 -4.341 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.976 -1.112 -4.596 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.920 -0.402 -5.902 1.00 0.30 C ATOM 0 HA PRO A 71 -0.396 0.254 -4.141 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.396 -2.528 -4.840 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.416 -1.735 -3.277 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.673 -1.949 -4.634 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.319 -0.448 -3.802 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.095 -1.080 -6.737 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.672 0.384 -5.966 1.00 0.30 H new ATOM 1054 N ARG A 72 0.502 -1.447 -6.751 1.00 0.32 N ATOM 1055 CA ARG A 72 1.655 -1.957 -7.497 1.00 0.38 C ATOM 1056 C ARG A 72 2.831 -0.980 -7.418 1.00 0.35 C ATOM 1057 O ARG A 72 3.960 -1.365 -7.122 1.00 0.36 O ATOM 1058 CB ARG A 72 1.295 -2.114 -8.955 1.00 0.45 C ATOM 1059 CG ARG A 72 2.388 -2.757 -9.789 1.00 0.88 C ATOM 1060 CD ARG A 72 2.267 -2.342 -11.233 1.00 0.81 C ATOM 1061 NE ARG A 72 0.934 -2.587 -11.766 1.00 0.86 N ATOM 1062 CZ ARG A 72 0.100 -1.649 -12.247 1.00 1.05 C ATOM 1063 NH1 ARG A 72 0.396 -0.346 -12.157 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.042 -2.037 -12.779 1.00 1.55 N ATOM 0 H ARG A 72 -0.360 -1.428 -7.296 1.00 0.32 H new ATOM 0 HA ARG A 72 1.934 -2.915 -7.058 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.389 -2.716 -9.033 1.00 0.45 H new ATOM 0 HB3 ARG A 72 1.063 -1.133 -9.370 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.365 -2.468 -9.403 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.322 -3.842 -9.710 1.00 0.88 H new ATOM 0 HD2 ARG A 72 2.504 -1.282 -11.326 1.00 0.81 H new ATOM 0 HD3 ARG A 72 3.000 -2.886 -11.828 1.00 0.81 H new ATOM 0 HE ARG A 72 0.605 -3.553 -11.775 1.00 0.86 H new ATOM 0 HH11 ARG A 72 1.268 -0.050 -11.717 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -0.250 0.351 -12.528 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -1.275 -3.029 -12.818 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -1.692 -1.345 -13.151 1.00 1.55 H new ATOM 1078 N GLU A 73 2.539 0.287 -7.677 1.00 0.34 N ATOM 1079 CA GLU A 73 3.555 1.327 -7.704 1.00 0.36 C ATOM 1080 C GLU A 73 4.154 1.502 -6.312 1.00 0.32 C ATOM 1081 O GLU A 73 5.364 1.722 -6.151 1.00 0.35 O ATOM 1082 CB GLU A 73 2.941 2.648 -8.161 1.00 0.42 C ATOM 1083 CG GLU A 73 2.133 2.569 -9.445 1.00 0.60 C ATOM 1084 CD GLU A 73 2.913 2.044 -10.618 1.00 1.37 C ATOM 1085 OE1 GLU A 73 3.866 2.713 -11.045 1.00 1.78 O ATOM 1086 OE2 GLU A 73 2.605 0.931 -11.123 1.00 2.18 O ATOM 0 H GLU A 73 1.595 0.621 -7.873 1.00 0.34 H new ATOM 0 HA GLU A 73 4.338 1.034 -8.403 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.297 3.026 -7.367 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.741 3.376 -8.297 1.00 0.42 H new ATOM 0 HG2 GLU A 73 1.267 1.928 -9.280 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.754 3.562 -9.687 1.00 0.60 H new ATOM 1093 N LEU A 74 3.299 1.391 -5.312 1.00 0.31 N ATOM 1094 CA LEU A 74 3.702 1.515 -3.926 1.00 0.32 C ATOM 1095 C LEU A 74 4.591 0.318 -3.563 1.00 0.30 C ATOM 1096 O LEU A 74 5.644 0.480 -2.948 1.00 0.31 O ATOM 1097 CB LEU A 74 2.429 1.623 -3.031 1.00 0.36 C ATOM 1098 CG LEU A 74 2.590 2.023 -1.541 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.213 0.920 -0.708 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.397 3.311 -1.414 1.00 0.44 C ATOM 0 H LEU A 74 2.303 1.212 -5.440 1.00 0.31 H new ATOM 0 HA LEU A 74 4.287 2.420 -3.760 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.760 2.347 -3.496 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.923 0.658 -3.060 1.00 0.36 H new ATOM 0 HG LEU A 74 1.587 2.192 -1.148 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.303 1.252 0.326 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.583 0.032 -0.751 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.202 0.682 -1.100 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.499 3.574 -0.361 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.386 3.165 -1.849 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.884 4.115 -1.941 1.00 0.44 H new ATOM 1112 N LEU A 75 4.164 -0.866 -3.988 1.00 0.29 N ATOM 1113 CA LEU A 75 4.899 -2.117 -3.792 1.00 0.30 C ATOM 1114 C LEU A 75 6.304 -1.995 -4.359 1.00 0.29 C ATOM 1115 O LEU A 75 7.290 -2.343 -3.699 1.00 0.30 O ATOM 1116 CB LEU A 75 4.162 -3.271 -4.489 1.00 0.33 C ATOM 1117 CG LEU A 75 4.797 -4.652 -4.368 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.845 -5.082 -2.924 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.044 -5.669 -5.206 1.00 0.45 C ATOM 0 H LEU A 75 3.283 -0.989 -4.487 1.00 0.29 H new ATOM 0 HA LEU A 75 4.963 -2.321 -2.723 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.151 -3.323 -4.086 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.071 -3.028 -5.548 1.00 0.33 H new ATOM 0 HG LEU A 75 5.818 -4.594 -4.746 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.301 -6.070 -2.853 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.436 -4.368 -2.351 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.833 -5.120 -2.522 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.516 -6.646 -5.103 1.00 0.45 H new ATOM 0 HD22 LEU A 75 3.010 -5.728 -4.865 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.064 -5.365 -6.252 1.00 0.45 H new ATOM 1131 N ASP A 76 6.376 -1.470 -5.576 1.00 0.31 N ATOM 1132 CA ASP A 76 7.639 -1.235 -6.272 1.00 0.34 C ATOM 1133 C ASP A 76 8.571 -0.352 -5.448 1.00 0.32 C ATOM 1134 O ASP A 76 9.753 -0.639 -5.336 1.00 0.34 O ATOM 1135 CB ASP A 76 7.391 -0.601 -7.649 1.00 0.45 C ATOM 1136 CG ASP A 76 8.671 -0.210 -8.366 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.263 -1.067 -9.056 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.120 0.962 -8.240 1.00 1.25 O ATOM 0 H ASP A 76 5.555 -1.193 -6.113 1.00 0.31 H new ATOM 0 HA ASP A 76 8.122 -2.202 -6.412 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.834 -1.303 -8.270 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.765 0.283 -7.527 1.00 0.45 H new ATOM 1143 N LEU A 77 8.022 0.697 -4.840 1.00 0.32 N ATOM 1144 CA LEU A 77 8.813 1.616 -4.021 1.00 0.36 C ATOM 1145 C LEU A 77 9.385 0.874 -2.801 1.00 0.34 C ATOM 1146 O LEU A 77 10.561 1.064 -2.432 1.00 0.40 O ATOM 1147 CB LEU A 77 7.942 2.846 -3.614 1.00 0.41 C ATOM 1148 CG LEU A 77 8.617 4.032 -2.860 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.953 3.704 -1.411 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.858 4.507 -3.605 1.00 1.35 C ATOM 0 H LEU A 77 7.031 0.933 -4.898 1.00 0.32 H new ATOM 0 HA LEU A 77 9.659 1.992 -4.596 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.493 3.247 -4.523 1.00 0.41 H new ATOM 0 HB3 LEU A 77 7.127 2.480 -2.990 1.00 0.41 H new ATOM 0 HG LEU A 77 7.885 4.839 -2.834 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.420 4.569 -0.941 1.00 0.94 H new ATOM 0 HD12 LEU A 77 8.039 3.449 -0.874 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.640 2.859 -1.379 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.314 5.335 -3.062 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.572 3.687 -3.682 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.577 4.839 -4.604 1.00 1.35 H new ATOM 1162 N ILE A 78 8.565 0.014 -2.214 1.00 0.30 N ATOM 1163 CA ILE A 78 8.957 -0.774 -1.048 1.00 0.32 C ATOM 1164 C ILE A 78 10.065 -1.741 -1.451 1.00 0.33 C ATOM 1165 O ILE A 78 11.135 -1.759 -0.849 1.00 0.39 O ATOM 1166 CB ILE A 78 7.744 -1.592 -0.488 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.584 -0.662 -0.095 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.156 -2.461 0.706 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.932 0.364 0.964 1.00 0.42 C ATOM 0 H ILE A 78 7.611 -0.159 -2.530 1.00 0.30 H new ATOM 0 HA ILE A 78 9.305 -0.094 -0.271 1.00 0.32 H new ATOM 0 HB ILE A 78 7.404 -2.252 -1.286 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.235 -0.141 -0.987 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.754 -1.270 0.265 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.290 -3.015 1.069 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.931 -3.162 0.396 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.540 -1.825 1.503 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.056 0.976 1.179 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.251 -0.145 1.873 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.739 1.001 0.602 1.00 0.42 H new ATOM 1181 N ASN A 79 9.807 -2.520 -2.483 1.00 0.33 N ATOM 1182 CA ASN A 79 10.761 -3.520 -2.972 1.00 0.38 C ATOM 1183 C ASN A 79 12.040 -2.907 -3.466 1.00 0.38 C ATOM 1184 O ASN A 79 13.117 -3.470 -3.260 1.00 0.42 O ATOM 1185 CB ASN A 79 10.144 -4.430 -4.029 1.00 0.46 C ATOM 1186 CG ASN A 79 9.142 -5.363 -3.416 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.273 -5.732 -2.254 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.155 -5.755 -4.161 1.00 0.82 N ATOM 0 H ASN A 79 8.935 -2.485 -3.011 1.00 0.33 H new ATOM 0 HA ASN A 79 11.016 -4.138 -2.111 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.661 -3.826 -4.797 1.00 0.46 H new ATOM 0 HB3 ASN A 79 10.928 -5.005 -4.522 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.454 -6.392 -3.784 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.080 -5.426 -5.123 1.00 0.82 H new ATOM 1195 N GLY A 80 11.931 -1.748 -4.095 1.00 0.38 N ATOM 1196 CA GLY A 80 13.098 -1.020 -4.542 1.00 0.46 C ATOM 1197 C GLY A 80 13.991 -0.666 -3.377 1.00 0.50 C ATOM 1198 O GLY A 80 15.215 -0.800 -3.457 1.00 0.62 O ATOM 0 H GLY A 80 11.042 -1.294 -4.306 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.653 -1.622 -5.261 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.789 -0.111 -5.058 1.00 0.46 H new ATOM 1202 N ALA A 81 13.371 -0.284 -2.270 1.00 0.47 N ATOM 1203 CA ALA A 81 14.090 0.058 -1.064 1.00 0.57 C ATOM 1204 C ALA A 81 14.678 -1.198 -0.443 1.00 0.62 C ATOM 1205 O ALA A 81 15.836 -1.216 -0.074 1.00 0.80 O ATOM 1206 CB ALA A 81 13.177 0.762 -0.068 1.00 0.59 C ATOM 0 H ALA A 81 12.357 -0.204 -2.188 1.00 0.47 H new ATOM 0 HA ALA A 81 14.898 0.742 -1.323 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.741 1.009 0.831 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.788 1.677 -0.515 1.00 0.59 H new ATOM 0 HB3 ALA A 81 12.348 0.104 0.193 1.00 0.59 H new ATOM 1212 N LEU A 82 13.881 -2.253 -0.356 1.00 0.54 N ATOM 1213 CA LEU A 82 14.327 -3.536 0.207 1.00 0.61 C ATOM 1214 C LEU A 82 15.513 -4.111 -0.571 1.00 0.74 C ATOM 1215 O LEU A 82 16.370 -4.795 -0.007 1.00 0.89 O ATOM 1216 CB LEU A 82 13.180 -4.558 0.233 1.00 0.54 C ATOM 1217 CG LEU A 82 12.000 -4.241 1.153 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.918 -5.297 1.001 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.462 -4.167 2.603 1.00 0.68 C ATOM 0 H LEU A 82 12.910 -2.253 -0.670 1.00 0.54 H new ATOM 0 HA LEU A 82 14.649 -3.339 1.230 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.800 -4.669 -0.782 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.591 -5.524 0.527 1.00 0.54 H new ATOM 0 HG LEU A 82 11.588 -3.272 0.869 1.00 0.58 H new ATOM 0 HD11 LEU A 82 10.083 -5.060 1.661 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.570 -5.315 -0.032 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.323 -6.274 1.265 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.611 -3.941 3.245 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.894 -5.124 2.897 1.00 0.68 H new ATOM 0 HD23 LEU A 82 13.213 -3.383 2.706 1.00 0.68 H new ATOM 1231 N ALA A 83 15.523 -3.883 -1.861 1.00 0.83 N ATOM 1232 CA ALA A 83 16.613 -4.314 -2.704 1.00 1.07 C ATOM 1233 C ALA A 83 17.916 -3.566 -2.388 1.00 1.28 C ATOM 1234 O ALA A 83 18.925 -4.180 -2.047 1.00 1.46 O ATOM 1235 CB ALA A 83 16.242 -4.160 -4.174 1.00 1.27 C ATOM 0 H ALA A 83 14.777 -3.394 -2.357 1.00 0.83 H new ATOM 0 HA ALA A 83 16.791 -5.369 -2.496 1.00 1.07 H new ATOM 0 HB1 ALA A 83 17.075 -4.489 -4.796 1.00 1.27 H new ATOM 0 HB2 ALA A 83 15.363 -4.767 -4.393 1.00 1.27 H new ATOM 0 HB3 ALA A 83 16.022 -3.114 -4.386 1.00 1.27 H new ATOM 1241 N GLU A 84 17.876 -2.242 -2.453 1.00 1.34 N ATOM 1242 CA GLU A 84 19.088 -1.439 -2.301 1.00 1.64 C ATOM 1243 C GLU A 84 19.486 -1.178 -0.846 1.00 1.75 C ATOM 1244 O GLU A 84 20.673 -1.231 -0.506 1.00 2.12 O ATOM 1245 CB GLU A 84 18.983 -0.117 -3.072 1.00 1.67 C ATOM 1246 CG GLU A 84 17.807 0.754 -2.669 1.00 1.99 C ATOM 1247 CD GLU A 84 17.761 2.053 -3.412 1.00 2.14 C ATOM 1248 OE1 GLU A 84 17.280 2.070 -4.574 1.00 2.82 O ATOM 1249 OE2 GLU A 84 18.229 3.077 -2.872 1.00 2.25 O ATOM 0 H GLU A 84 17.025 -1.702 -2.609 1.00 1.34 H new ATOM 0 HA GLU A 84 19.886 -2.044 -2.731 1.00 1.64 H new ATOM 0 HB2 GLU A 84 19.904 0.448 -2.927 1.00 1.67 H new ATOM 0 HB3 GLU A 84 18.908 -0.337 -4.137 1.00 1.67 H new ATOM 0 HG2 GLU A 84 16.880 0.208 -2.845 1.00 1.99 H new ATOM 0 HG3 GLU A 84 17.860 0.955 -1.599 1.00 1.99 H new ATOM 1256 N ALA A 85 18.527 -0.905 0.003 1.00 1.60 N ATOM 1257 CA ALA A 85 18.812 -0.548 1.377 1.00 1.87 C ATOM 1258 C ALA A 85 19.060 -1.778 2.204 1.00 2.41 C ATOM 1259 O ALA A 85 18.579 -2.869 1.875 1.00 2.97 O ATOM 1260 CB ALA A 85 17.682 0.278 1.977 1.00 2.27 C ATOM 0 H ALA A 85 17.535 -0.922 -0.232 1.00 1.60 H new ATOM 0 HA ALA A 85 19.715 0.062 1.382 1.00 1.87 H new ATOM 0 HB1 ALA A 85 17.925 0.531 3.009 1.00 2.27 H new ATOM 0 HB2 ALA A 85 17.554 1.194 1.399 1.00 2.27 H new ATOM 0 HB3 ALA A 85 16.757 -0.298 1.952 1.00 2.27 H new ATOM 1266 N ALA A 86 19.809 -1.616 3.244 1.00 2.92 N ATOM 1267 CA ALA A 86 20.130 -2.691 4.124 1.00 3.83 C ATOM 1268 C ALA A 86 19.551 -2.379 5.476 1.00 4.59 C ATOM 1269 O ALA A 86 20.178 -1.621 6.245 1.00 5.16 O ATOM 1270 CB ALA A 86 21.638 -2.884 4.201 1.00 4.34 C ATOM 1271 OXT ALA A 86 18.438 -2.842 5.773 1.00 4.98 O ATOM 0 H ALA A 86 20.221 -0.722 3.510 1.00 2.92 H new ATOM 0 HA ALA A 86 19.705 -3.623 3.752 1.00 3.83 H new ATOM 0 HB1 ALA A 86 21.865 -3.708 4.877 1.00 4.34 H new ATOM 0 HB2 ALA A 86 22.027 -3.111 3.208 1.00 4.34 H new ATOM 0 HB3 ALA A 86 22.103 -1.971 4.573 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -6.292 13.323 2.087 1.00 1.09 P HETATM 1279 O26 SXH A 87 -6.767 14.340 1.000 1.00 1.22 O HETATM 1280 O23 SXH A 87 -7.333 12.719 3.036 1.00 1.42 O HETATM 1281 O27 SXH A 87 -5.216 14.007 2.907 1.00 1.10 O HETATM 1282 C28 SXH A 87 -4.584 13.220 3.954 1.00 1.13 C HETATM 1283 C29 SXH A 87 -3.445 13.992 4.567 1.00 1.27 C HETATM 1284 C30 SXH A 87 -2.837 13.101 5.601 1.00 1.36 C HETATM 1285 C31 SXH A 87 -2.417 14.293 3.472 1.00 1.28 C HETATM 1286 C32 SXH A 87 -4.001 15.345 5.198 1.00 1.57 C HETATM 1287 O33 SXH A 87 -4.529 16.166 4.148 1.00 1.62 O HETATM 1288 C34 SXH A 87 -2.910 16.134 5.944 1.00 1.82 C HETATM 1289 O35 SXH A 87 -2.318 17.067 5.394 1.00 2.00 O HETATM 1290 N36 SXH A 87 -2.657 15.772 7.185 1.00 1.99 N HETATM 1291 C37 SXH A 87 -1.658 16.420 8.047 1.00 2.29 C HETATM 1292 C38 SXH A 87 -1.245 15.559 9.251 1.00 2.49 C HETATM 1293 C39 SXH A 87 -0.446 14.288 8.927 1.00 2.41 C HETATM 1294 O40 SXH A 87 -0.309 13.385 9.765 1.00 2.91 O HETATM 1295 N41 SXH A 87 0.069 14.227 7.721 1.00 2.12 N HETATM 1296 C42 SXH A 87 0.852 13.104 7.223 1.00 2.36 C HETATM 1297 C43 SXH A 87 1.013 13.135 5.726 1.00 2.13 C HETATM 1298 S1 SXH A 87 1.788 11.690 5.194 1.00 1.95 S HETATM 1299 C1 SXH A 87 1.759 12.023 3.495 1.00 1.93 C HETATM 1300 O1 SXH A 87 1.518 13.145 3.006 1.00 2.69 O HETATM 1301 C2 SXH A 87 2.008 10.805 2.614 1.00 1.85 C HETATM 1302 C3 SXH A 87 0.724 10.239 1.992 1.00 2.13 C HETATM 1303 C4 SXH A 87 0.044 11.235 1.061 1.00 2.00 C HETATM 1304 C5 SXH A 87 -1.250 10.674 0.502 1.00 2.32 C HETATM 1305 C6 SXH A 87 -1.894 11.693 -0.411 1.00 2.32 C HETATM 0 HO33 SXH A 87 -5.120 15.630 3.579 1.00 1.62 H new HETATM 0 HN41 SXH A 87 -0.089 15.015 7.093 1.00 2.12 H new HETATM 0 HN36 SXH A 87 -3.188 14.992 7.573 1.00 1.99 H new HETATM 0 H43A SXH A 87 0.038 13.233 5.248 1.00 2.13 H new HETATM 0 H42A SXH A 87 1.836 13.115 7.692 1.00 2.36 H new HETATM 0 H38A SXH A 87 -0.652 16.175 9.927 1.00 2.49 H new HETATM 0 H37A SXH A 87 -0.773 16.653 7.455 1.00 2.29 H new HETATM 0 H31B SXH A 87 -2.048 13.357 3.052 1.00 1.28 H new HETATM 0 H31A SXH A 87 -2.886 14.884 2.685 1.00 1.28 H new HETATM 0 H30B SXH A 87 -3.586 12.851 6.352 1.00 1.36 H new HETATM 0 H30A SXH A 87 -2.478 12.187 5.128 1.00 1.36 H new HETATM 0 H28A SXH A 87 -5.316 12.967 4.721 1.00 1.13 H new HETATM 0 H6B SXH A 87 -2.107 12.602 0.151 1.00 2.32 H new HETATM 0 H6A SXH A 87 -1.216 11.925 -1.232 1.00 2.32 H new HETATM 0 H6 SXH A 87 -2.823 11.287 -0.811 1.00 2.32 H new HETATM 0 H5A SXH A 87 -1.052 9.753 -0.047 1.00 2.32 H new HETATM 0 H5 SXH A 87 -1.929 10.420 1.316 1.00 2.32 H new HETATM 0 H4A SXH A 87 -0.161 12.159 1.601 1.00 2.00 H new HETATM 0 H43 SXH A 87 1.602 14.004 5.432 1.00 2.13 H new HETATM 0 H42 SXH A 87 0.370 12.171 7.515 1.00 2.36 H new HETATM 0 H4 SXH A 87 0.717 11.488 0.242 1.00 2.00 H new HETATM 0 H3A SXH A 87 0.961 9.331 1.438 1.00 2.13 H new HETATM 0 H38 SXH A 87 -2.146 15.270 9.792 1.00 2.49 H new HETATM 0 H37 SXH A 87 -2.059 17.368 8.407 1.00 2.29 H new HETATM 0 H32 SXH A 87 -4.774 15.081 5.920 1.00 1.57 H new HETATM 0 H31 SXH A 87 -1.584 14.852 3.899 1.00 1.28 H new HETATM 0 H30 SXH A 87 -2.002 13.614 6.078 1.00 1.36 H new HETATM 0 H3 SXH A 87 0.032 9.957 2.786 1.00 2.13 H new HETATM 0 H2A SXH A 87 2.702 11.076 1.818 1.00 1.85 H new HETATM 0 H28 SXH A 87 -4.216 12.281 3.541 1.00 1.13 H new HETATM 0 H2 SXH A 87 2.491 10.028 3.207 1.00 1.85 H new