USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 388 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= 0.362 K(o=0.36,f=-8.1!) USER MOD Set 1.2: A 30 GLN : amide:sc= 0 X(o=0.36,f=0.36) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -90:sc= 1.22 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 21 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.917 K(o=-0.92,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= -0.0126 (180deg=-0.0953) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 13.622 10.005 7.411 1.00 0.00 N ATOM 2 CA PRO A 1 12.459 10.812 7.121 1.00 0.00 C ATOM 3 C PRO A 1 11.556 10.046 6.181 1.00 0.00 C ATOM 4 O PRO A 1 11.848 8.901 5.849 1.00 0.00 O ATOM 5 CB PRO A 1 12.924 12.107 6.471 1.00 0.00 C ATOM 6 CG PRO A 1 14.414 11.964 6.394 1.00 0.00 C ATOM 7 CD PRO A 1 14.800 10.863 7.368 1.00 0.00 C ATOM 0 H2 PRO A 1 13.708 9.250 6.731 1.00 0.00 H new ATOM 0 H3 PRO A 1 13.533 9.571 8.330 1.00 0.00 H new ATOM 0 HA PRO A 1 11.907 11.042 8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 1 12.485 12.237 5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 1 12.637 12.976 7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 1 14.726 11.711 5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 1 14.906 12.901 6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 1 15.680 10.317 7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 1 15.037 11.266 8.353 1.00 0.00 H new ATOM 17 N ARG A 2 10.476 10.652 5.763 1.00 0.00 N ATOM 18 CA ARG A 2 9.567 10.017 4.836 1.00 0.00 C ATOM 19 C ARG A 2 9.605 10.783 3.525 1.00 0.00 C ATOM 20 O ARG A 2 9.942 11.976 3.515 1.00 0.00 O ATOM 21 CB ARG A 2 8.135 9.965 5.415 1.00 0.00 C ATOM 22 CG ARG A 2 7.467 11.321 5.591 1.00 0.00 C ATOM 23 CD ARG A 2 6.110 11.210 6.271 1.00 0.00 C ATOM 24 NE ARG A 2 5.136 10.398 5.525 1.00 0.00 N ATOM 25 CZ ARG A 2 3.815 10.358 5.796 1.00 0.00 C ATOM 26 NH1 ARG A 2 3.312 11.097 6.783 1.00 0.00 N ATOM 27 NH2 ARG A 2 3.015 9.563 5.104 1.00 0.00 N ATOM 0 H ARG A 2 10.200 11.591 6.050 1.00 0.00 H new ATOM 0 HA ARG A 2 9.876 8.986 4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.515 9.353 4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.168 9.464 6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.115 11.969 6.181 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.345 11.793 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.245 10.778 7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.702 12.211 6.412 1.00 0.00 H new ATOM 0 HE ARG A 2 5.482 9.828 4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.926 11.695 7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.313 11.065 6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.396 8.977 4.362 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.017 9.537 5.313 1.00 0.00 H new ATOM 41 N GLY A 3 9.293 10.124 2.448 1.00 0.00 N ATOM 42 CA GLY A 3 9.313 10.757 1.159 1.00 0.00 C ATOM 43 C GLY A 3 8.979 9.772 0.078 1.00 0.00 C ATOM 44 O GLY A 3 9.360 8.594 0.185 1.00 0.00 O ATOM 0 H GLY A 3 9.020 9.141 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.598 11.580 1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.298 11.186 0.975 1.00 0.00 H new ATOM 48 N SER A 4 8.278 10.249 -0.950 1.00 0.00 N ATOM 49 CA SER A 4 7.816 9.451 -2.086 1.00 0.00 C ATOM 50 C SER A 4 6.776 8.403 -1.635 1.00 0.00 C ATOM 51 O SER A 4 7.145 7.358 -1.097 1.00 0.00 O ATOM 52 CB SER A 4 8.992 8.791 -2.821 1.00 0.00 C ATOM 53 OG SER A 4 9.927 9.769 -3.265 1.00 0.00 O ATOM 0 H SER A 4 8.008 11.230 -1.018 1.00 0.00 H new ATOM 0 HA SER A 4 7.329 10.124 -2.791 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.488 8.082 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.620 8.224 -3.674 1.00 0.00 H new ATOM 0 HG SER A 4 10.668 9.326 -3.729 1.00 0.00 H new ATOM 59 N PRO A 5 5.460 8.667 -1.872 1.00 0.00 N ATOM 60 CA PRO A 5 4.350 7.813 -1.392 1.00 0.00 C ATOM 61 C PRO A 5 4.523 6.327 -1.707 1.00 0.00 C ATOM 62 O PRO A 5 4.162 5.461 -0.898 1.00 0.00 O ATOM 63 CB PRO A 5 3.096 8.359 -2.093 1.00 0.00 C ATOM 64 CG PRO A 5 3.556 9.430 -3.024 1.00 0.00 C ATOM 65 CD PRO A 5 4.952 9.826 -2.628 1.00 0.00 C ATOM 0 HA PRO A 5 4.298 7.857 -0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.582 7.567 -2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.388 8.757 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.539 9.072 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.888 10.290 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.570 10.032 -3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.951 10.729 -2.018 1.00 0.00 H new ATOM 73 N ARG A 6 5.115 6.046 -2.855 1.00 0.00 N ATOM 74 CA ARG A 6 5.361 4.679 -3.321 1.00 0.00 C ATOM 75 C ARG A 6 6.126 3.830 -2.309 1.00 0.00 C ATOM 76 O ARG A 6 5.941 2.629 -2.258 1.00 0.00 O ATOM 77 CB ARG A 6 6.091 4.686 -4.663 1.00 0.00 C ATOM 78 CG ARG A 6 7.445 5.385 -4.653 1.00 0.00 C ATOM 79 CD ARG A 6 8.003 5.506 -6.058 1.00 0.00 C ATOM 80 NE ARG A 6 7.122 6.300 -6.917 1.00 0.00 N ATOM 81 CZ ARG A 6 7.424 6.761 -8.129 1.00 0.00 C ATOM 82 NH1 ARG A 6 8.603 6.496 -8.679 1.00 0.00 N ATOM 83 NH2 ARG A 6 6.530 7.480 -8.794 1.00 0.00 N ATOM 0 H ARG A 6 5.444 6.763 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 6 4.381 4.218 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.233 3.655 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.454 5.169 -5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.344 6.376 -4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.142 4.827 -4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.990 5.968 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.132 4.512 -6.487 1.00 0.00 H new ATOM 0 HE ARG A 6 6.194 6.519 -6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.287 5.934 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.824 6.854 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.620 7.676 -8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.752 7.838 -9.723 1.00 0.00 H new ATOM 97 N THR A 7 6.945 4.464 -1.494 1.00 0.00 N ATOM 98 CA THR A 7 7.747 3.758 -0.502 1.00 0.00 C ATOM 99 C THR A 7 6.863 3.111 0.573 1.00 0.00 C ATOM 100 O THR A 7 7.019 1.939 0.897 1.00 0.00 O ATOM 101 CB THR A 7 8.781 4.702 0.151 1.00 0.00 C ATOM 102 OG1 THR A 7 8.110 5.815 0.774 1.00 0.00 O ATOM 103 CG2 THR A 7 9.746 5.226 -0.894 1.00 0.00 C ATOM 0 H THR A 7 7.076 5.475 -1.496 1.00 0.00 H new ATOM 0 HA THR A 7 8.284 2.965 -1.023 1.00 0.00 H new ATOM 0 HB THR A 7 9.333 4.140 0.904 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.026 6.548 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.469 5.890 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.270 4.390 -1.357 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.194 5.775 -1.656 1.00 0.00 H new ATOM 111 N GLU A 8 5.891 3.869 1.058 1.00 0.00 N ATOM 112 CA GLU A 8 4.975 3.406 2.096 1.00 0.00 C ATOM 113 C GLU A 8 4.081 2.322 1.551 1.00 0.00 C ATOM 114 O GLU A 8 3.811 1.317 2.213 1.00 0.00 O ATOM 115 CB GLU A 8 4.137 4.561 2.610 1.00 0.00 C ATOM 116 CG GLU A 8 4.978 5.669 3.206 1.00 0.00 C ATOM 117 CD GLU A 8 4.170 6.746 3.866 1.00 0.00 C ATOM 118 OE1 GLU A 8 4.025 7.836 3.287 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.688 6.539 4.989 1.00 0.00 O ATOM 0 H GLU A 8 5.713 4.823 0.745 1.00 0.00 H new ATOM 0 HA GLU A 8 5.559 3.001 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.539 4.963 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.441 4.193 3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.663 5.241 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.588 6.114 2.420 1.00 0.00 H new ATOM 126 N TYR A 9 3.663 2.513 0.324 1.00 0.00 N ATOM 127 CA TYR A 9 2.848 1.579 -0.368 1.00 0.00 C ATOM 128 C TYR A 9 3.614 0.261 -0.551 1.00 0.00 C ATOM 129 O TYR A 9 3.082 -0.828 -0.315 1.00 0.00 O ATOM 130 CB TYR A 9 2.447 2.212 -1.706 1.00 0.00 C ATOM 131 CG TYR A 9 2.011 1.243 -2.743 1.00 0.00 C ATOM 132 CD1 TYR A 9 2.940 0.739 -3.612 1.00 0.00 C ATOM 133 CD2 TYR A 9 0.709 0.820 -2.836 1.00 0.00 C ATOM 134 CE1 TYR A 9 2.605 -0.184 -4.562 1.00 0.00 C ATOM 135 CE2 TYR A 9 0.335 -0.107 -3.794 1.00 0.00 C ATOM 136 CZ TYR A 9 1.300 -0.611 -4.659 1.00 0.00 C ATOM 137 OH TYR A 9 0.962 -1.560 -5.613 1.00 0.00 O ATOM 0 H TYR A 9 3.892 3.344 -0.222 1.00 0.00 H new ATOM 0 HA TYR A 9 1.944 1.343 0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.639 2.922 -1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.293 2.781 -2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.963 1.079 -3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.031 1.214 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.357 -0.575 -5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.692 -0.434 -3.868 1.00 0.00 H new ATOM 0 HH TYR A 9 0.004 -1.757 -5.553 1.00 0.00 H new ATOM 147 N GLU A 10 4.860 0.389 -0.952 1.00 0.00 N ATOM 148 CA GLU A 10 5.739 -0.729 -1.180 1.00 0.00 C ATOM 149 C GLU A 10 5.988 -1.475 0.123 1.00 0.00 C ATOM 150 O GLU A 10 5.895 -2.691 0.158 1.00 0.00 O ATOM 151 CB GLU A 10 7.039 -0.219 -1.771 1.00 0.00 C ATOM 152 CG GLU A 10 7.970 -1.274 -2.301 1.00 0.00 C ATOM 153 CD GLU A 10 9.155 -0.649 -2.967 1.00 0.00 C ATOM 154 OE1 GLU A 10 10.199 -0.485 -2.311 1.00 0.00 O ATOM 155 OE2 GLU A 10 9.047 -0.270 -4.160 1.00 0.00 O ATOM 0 H GLU A 10 5.296 1.293 -1.131 1.00 0.00 H new ATOM 0 HA GLU A 10 5.279 -1.426 -1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.803 0.472 -2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.565 0.353 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.302 -1.916 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.441 -1.909 -3.011 1.00 0.00 H new ATOM 162 N ALA A 11 6.251 -0.730 1.191 1.00 0.00 N ATOM 163 CA ALA A 11 6.482 -1.292 2.522 1.00 0.00 C ATOM 164 C ALA A 11 5.279 -2.120 2.977 1.00 0.00 C ATOM 165 O ALA A 11 5.430 -3.237 3.493 1.00 0.00 O ATOM 166 CB ALA A 11 6.761 -0.175 3.512 1.00 0.00 C ATOM 0 H ALA A 11 6.311 0.288 1.160 1.00 0.00 H new ATOM 0 HA ALA A 11 7.349 -1.951 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.932 -0.600 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.646 0.378 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.906 0.500 3.550 1.00 0.00 H new ATOM 172 N CYS A 12 4.095 -1.575 2.743 1.00 0.00 N ATOM 173 CA CYS A 12 2.827 -2.236 3.050 1.00 0.00 C ATOM 174 C CYS A 12 2.742 -3.584 2.307 1.00 0.00 C ATOM 175 O CYS A 12 2.362 -4.622 2.886 1.00 0.00 O ATOM 176 CB CYS A 12 1.661 -1.303 2.645 1.00 0.00 C ATOM 177 SG CYS A 12 -0.026 -1.939 2.961 1.00 0.00 S ATOM 0 H CYS A 12 3.982 -0.650 2.329 1.00 0.00 H new ATOM 0 HA CYS A 12 2.762 -2.438 4.119 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.777 -0.359 3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.751 -1.083 1.581 1.00 0.00 H new ATOM 182 N ARG A 13 3.157 -3.571 1.047 1.00 0.00 N ATOM 183 CA ARG A 13 3.164 -4.760 0.216 1.00 0.00 C ATOM 184 C ARG A 13 4.215 -5.750 0.718 1.00 0.00 C ATOM 185 O ARG A 13 3.949 -6.938 0.802 1.00 0.00 O ATOM 186 CB ARG A 13 3.416 -4.373 -1.246 1.00 0.00 C ATOM 187 CG ARG A 13 2.303 -3.521 -1.850 1.00 0.00 C ATOM 188 CD ARG A 13 1.058 -4.344 -2.156 1.00 0.00 C ATOM 189 NE ARG A 13 1.282 -5.229 -3.305 1.00 0.00 N ATOM 190 CZ ARG A 13 0.528 -6.273 -3.661 1.00 0.00 C ATOM 191 NH1 ARG A 13 -0.445 -6.706 -2.880 1.00 0.00 N ATOM 192 NH2 ARG A 13 0.789 -6.912 -4.788 1.00 0.00 N ATOM 0 H ARG A 13 3.498 -2.733 0.575 1.00 0.00 H new ATOM 0 HA ARG A 13 2.191 -5.248 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.357 -3.827 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.531 -5.280 -1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.046 -2.717 -1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.662 -3.052 -2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.786 -4.937 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.220 -3.679 -2.363 1.00 0.00 H new ATOM 0 HE ARG A 13 2.093 -5.027 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.630 -6.242 -1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.012 -7.504 -3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.562 -6.607 -5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.218 -7.710 -5.066 1.00 0.00 H new ATOM 206 N VAL A 14 5.389 -5.240 1.082 1.00 0.00 N ATOM 207 CA VAL A 14 6.489 -6.055 1.622 1.00 0.00 C ATOM 208 C VAL A 14 6.054 -6.792 2.892 1.00 0.00 C ATOM 209 O VAL A 14 6.341 -7.983 3.058 1.00 0.00 O ATOM 210 CB VAL A 14 7.765 -5.196 1.907 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.850 -6.014 2.603 1.00 0.00 C ATOM 212 CG2 VAL A 14 8.316 -4.625 0.614 1.00 0.00 C ATOM 0 H VAL A 14 5.611 -4.247 1.013 1.00 0.00 H new ATOM 0 HA VAL A 14 6.744 -6.791 0.859 1.00 0.00 H new ATOM 0 HB VAL A 14 7.469 -4.383 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.721 -5.384 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.469 -6.390 3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.136 -6.854 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.204 -4.030 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.580 -5.440 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.561 -3.995 0.144 1.00 0.00 H new ATOM 222 N ARG A 15 5.332 -6.095 3.764 1.00 0.00 N ATOM 223 CA ARG A 15 4.823 -6.703 4.988 1.00 0.00 C ATOM 224 C ARG A 15 3.893 -7.869 4.656 1.00 0.00 C ATOM 225 O ARG A 15 3.952 -8.931 5.277 1.00 0.00 O ATOM 226 CB ARG A 15 4.109 -5.674 5.867 1.00 0.00 C ATOM 227 CG ARG A 15 3.528 -6.263 7.148 1.00 0.00 C ATOM 228 CD ARG A 15 2.908 -5.196 8.021 1.00 0.00 C ATOM 229 NE ARG A 15 3.908 -4.235 8.503 1.00 0.00 N ATOM 230 CZ ARG A 15 3.635 -3.020 8.980 1.00 0.00 C ATOM 231 NH1 ARG A 15 2.381 -2.616 9.079 1.00 0.00 N ATOM 232 NH2 ARG A 15 4.619 -2.224 9.382 1.00 0.00 N ATOM 0 H ARG A 15 5.087 -5.112 3.646 1.00 0.00 H new ATOM 0 HA ARG A 15 5.674 -7.085 5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.811 -4.882 6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.306 -5.213 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.776 -7.011 6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.314 -6.776 7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.139 -4.668 7.458 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.415 -5.665 8.872 1.00 0.00 H new ATOM 0 HE ARG A 15 4.887 -4.519 8.470 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.622 -3.233 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.172 -1.687 9.444 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.587 -2.541 9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.407 -1.295 9.746 1.00 0.00 H new ATOM 246 N CYS A 16 3.074 -7.692 3.658 1.00 0.00 N ATOM 247 CA CYS A 16 2.187 -8.750 3.233 1.00 0.00 C ATOM 248 C CYS A 16 2.931 -9.879 2.525 1.00 0.00 C ATOM 249 O CYS A 16 2.521 -11.032 2.598 1.00 0.00 O ATOM 250 CB CYS A 16 1.054 -8.210 2.395 1.00 0.00 C ATOM 251 SG CYS A 16 -0.111 -7.188 3.342 1.00 0.00 S ATOM 0 H CYS A 16 2.998 -6.828 3.121 1.00 0.00 H new ATOM 0 HA CYS A 16 1.752 -9.185 4.133 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.465 -7.618 1.577 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.514 -9.043 1.945 1.00 0.00 H new ATOM 256 N GLN A 17 4.033 -9.562 1.882 1.00 0.00 N ATOM 257 CA GLN A 17 4.847 -10.574 1.219 1.00 0.00 C ATOM 258 C GLN A 17 5.489 -11.505 2.242 1.00 0.00 C ATOM 259 O GLN A 17 5.582 -12.714 2.016 1.00 0.00 O ATOM 260 CB GLN A 17 5.922 -9.932 0.343 1.00 0.00 C ATOM 261 CG GLN A 17 5.372 -9.149 -0.833 1.00 0.00 C ATOM 262 CD GLN A 17 6.443 -8.396 -1.586 1.00 0.00 C ATOM 263 OE1 GLN A 17 7.603 -8.819 -1.652 1.00 0.00 O ATOM 264 NE2 GLN A 17 6.078 -7.282 -2.158 1.00 0.00 N ATOM 0 H GLN A 17 4.392 -8.611 1.800 1.00 0.00 H new ATOM 0 HA GLN A 17 4.189 -11.159 0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.528 -9.267 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.585 -10.712 -0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.867 -9.833 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.622 -8.444 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.112 -6.963 -2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.758 -6.730 -2.680 1.00 0.00 H new ATOM 273 N VAL A 18 5.915 -10.948 3.359 1.00 0.00 N ATOM 274 CA VAL A 18 6.542 -11.742 4.402 1.00 0.00 C ATOM 275 C VAL A 18 5.511 -12.418 5.327 1.00 0.00 C ATOM 276 O VAL A 18 5.635 -13.606 5.638 1.00 0.00 O ATOM 277 CB VAL A 18 7.596 -10.925 5.229 1.00 0.00 C ATOM 278 CG1 VAL A 18 7.002 -9.693 5.890 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.277 -11.797 6.261 1.00 0.00 C ATOM 0 H VAL A 18 5.840 -9.953 3.569 1.00 0.00 H new ATOM 0 HA VAL A 18 7.083 -12.535 3.886 1.00 0.00 H new ATOM 0 HB VAL A 18 8.340 -10.578 4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.778 -9.169 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.594 -9.031 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.206 -9.994 6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.002 -11.203 6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.531 -12.198 6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.789 -12.619 5.762 1.00 0.00 H new ATOM 289 N ALA A 19 4.497 -11.694 5.735 1.00 0.00 N ATOM 290 CA ALA A 19 3.531 -12.232 6.672 1.00 0.00 C ATOM 291 C ALA A 19 2.433 -13.036 5.984 1.00 0.00 C ATOM 292 O ALA A 19 2.230 -14.217 6.290 1.00 0.00 O ATOM 293 CB ALA A 19 2.931 -11.116 7.519 1.00 0.00 C ATOM 0 H ALA A 19 4.317 -10.735 5.437 1.00 0.00 H new ATOM 0 HA ALA A 19 4.067 -12.923 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.208 -11.538 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.723 -10.616 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.432 -10.395 6.871 1.00 0.00 H new ATOM 299 N GLU A 20 1.773 -12.419 5.037 1.00 0.00 N ATOM 300 CA GLU A 20 0.601 -12.996 4.405 1.00 0.00 C ATOM 301 C GLU A 20 0.949 -14.076 3.385 1.00 0.00 C ATOM 302 O GLU A 20 0.519 -15.227 3.540 1.00 0.00 O ATOM 303 CB GLU A 20 -0.242 -11.887 3.781 1.00 0.00 C ATOM 304 CG GLU A 20 -0.770 -10.879 4.797 1.00 0.00 C ATOM 305 CD GLU A 20 -1.726 -11.503 5.789 1.00 0.00 C ATOM 306 OE1 GLU A 20 -2.948 -11.288 5.667 1.00 0.00 O ATOM 307 OE2 GLU A 20 -1.281 -12.257 6.687 1.00 0.00 O ATOM 0 H GLU A 20 2.029 -11.500 4.677 1.00 0.00 H new ATOM 0 HA GLU A 20 0.019 -13.497 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.357 -11.361 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.084 -12.335 3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.069 -10.437 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.275 -10.069 4.271 1.00 0.00 H new ATOM 314 N HIS A 21 1.710 -13.698 2.352 1.00 0.00 N ATOM 315 CA HIS A 21 2.184 -14.605 1.272 1.00 0.00 C ATOM 316 C HIS A 21 1.047 -15.084 0.330 1.00 0.00 C ATOM 317 O HIS A 21 1.128 -14.901 -0.885 1.00 0.00 O ATOM 318 CB HIS A 21 2.987 -15.808 1.860 1.00 0.00 C ATOM 319 CG HIS A 21 3.563 -16.784 0.854 1.00 0.00 C ATOM 320 ND1 HIS A 21 4.889 -16.813 0.479 1.00 0.00 N ATOM 321 CD2 HIS A 21 2.974 -17.809 0.189 1.00 0.00 C ATOM 322 CE1 HIS A 21 5.062 -17.818 -0.373 1.00 0.00 C ATOM 323 NE2 HIS A 21 3.930 -18.462 -0.587 1.00 0.00 N ATOM 0 H HIS A 21 2.026 -12.736 2.230 1.00 0.00 H new ATOM 0 HA HIS A 21 2.858 -14.016 0.650 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.806 -15.412 2.461 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.333 -16.359 2.536 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.930 -18.077 0.251 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.006 -18.074 -0.831 1.00 0.00 H new ATOM 0 HE2 HIS A 21 3.785 -19.269 -1.194 1.00 0.00 H new ATOM 331 N GLY A 22 0.015 -15.680 0.907 1.00 0.00 N ATOM 332 CA GLY A 22 -1.083 -16.272 0.157 1.00 0.00 C ATOM 333 C GLY A 22 -1.829 -15.302 -0.749 1.00 0.00 C ATOM 334 O GLY A 22 -1.993 -14.132 -0.414 1.00 0.00 O ATOM 0 H GLY A 22 -0.085 -15.767 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.692 -17.088 -0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.792 -16.709 0.860 1.00 0.00 H new ATOM 338 N VAL A 23 -2.328 -15.835 -1.866 1.00 0.00 N ATOM 339 CA VAL A 23 -3.015 -15.073 -2.936 1.00 0.00 C ATOM 340 C VAL A 23 -4.199 -14.264 -2.410 1.00 0.00 C ATOM 341 O VAL A 23 -4.342 -13.077 -2.723 1.00 0.00 O ATOM 342 CB VAL A 23 -3.521 -16.030 -4.057 1.00 0.00 C ATOM 343 CG1 VAL A 23 -4.225 -15.266 -5.172 1.00 0.00 C ATOM 344 CG2 VAL A 23 -2.379 -16.847 -4.620 1.00 0.00 C ATOM 0 H VAL A 23 -2.269 -16.833 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.277 -14.379 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.247 -16.706 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.564 -15.966 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.083 -14.733 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.532 -14.552 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.755 -17.508 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.627 -16.180 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.931 -17.443 -3.825 1.00 0.00 H new ATOM 354 N GLU A 24 -5.022 -14.902 -1.606 1.00 0.00 N ATOM 355 CA GLU A 24 -6.216 -14.271 -1.061 1.00 0.00 C ATOM 356 C GLU A 24 -5.842 -13.067 -0.201 1.00 0.00 C ATOM 357 O GLU A 24 -6.412 -11.976 -0.347 1.00 0.00 O ATOM 358 CB GLU A 24 -7.014 -15.284 -0.257 1.00 0.00 C ATOM 359 CG GLU A 24 -7.489 -16.471 -1.082 1.00 0.00 C ATOM 360 CD GLU A 24 -8.117 -17.539 -0.238 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.434 -18.529 0.091 1.00 0.00 O ATOM 362 OE2 GLU A 24 -9.305 -17.407 0.142 1.00 0.00 O ATOM 0 H GLU A 24 -4.888 -15.869 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.835 -13.915 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.401 -15.646 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.879 -14.787 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.209 -16.129 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.644 -16.892 -1.627 1.00 0.00 H new ATOM 369 N ARG A 25 -4.856 -13.258 0.644 1.00 0.00 N ATOM 370 CA ARG A 25 -4.375 -12.207 1.522 1.00 0.00 C ATOM 371 C ARG A 25 -3.676 -11.114 0.709 1.00 0.00 C ATOM 372 O ARG A 25 -3.841 -9.919 0.979 1.00 0.00 O ATOM 373 CB ARG A 25 -3.416 -12.784 2.540 1.00 0.00 C ATOM 374 CG ARG A 25 -4.008 -13.855 3.433 1.00 0.00 C ATOM 375 CD ARG A 25 -2.962 -14.388 4.381 1.00 0.00 C ATOM 376 NE ARG A 25 -3.460 -15.440 5.258 1.00 0.00 N ATOM 377 CZ ARG A 25 -2.928 -15.742 6.449 1.00 0.00 C ATOM 378 NH1 ARG A 25 -2.035 -14.924 7.016 1.00 0.00 N ATOM 379 NH2 ARG A 25 -3.330 -16.829 7.096 1.00 0.00 N ATOM 0 H ARG A 25 -4.362 -14.145 0.745 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.227 -11.768 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.558 -13.202 2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.042 -11.974 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.845 -13.444 3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.403 -14.668 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.122 -14.774 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.581 -13.568 4.989 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.266 -15.981 4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.756 -14.065 6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.633 -15.159 7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.043 -17.432 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.926 -17.061 8.003 1.00 0.00 H new ATOM 393 N GLN A 26 -2.916 -11.545 -0.294 1.00 0.00 N ATOM 394 CA GLN A 26 -2.201 -10.662 -1.222 1.00 0.00 C ATOM 395 C GLN A 26 -3.198 -9.698 -1.847 1.00 0.00 C ATOM 396 O GLN A 26 -3.006 -8.488 -1.807 1.00 0.00 O ATOM 397 CB GLN A 26 -1.487 -11.543 -2.293 1.00 0.00 C ATOM 398 CG GLN A 26 -0.574 -10.851 -3.332 1.00 0.00 C ATOM 399 CD GLN A 26 -1.299 -10.035 -4.392 1.00 0.00 C ATOM 400 OE1 GLN A 26 -1.503 -8.834 -4.249 1.00 0.00 O ATOM 401 NE2 GLN A 26 -1.708 -10.681 -5.441 1.00 0.00 N ATOM 0 H GLN A 26 -2.775 -12.536 -0.492 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.443 -10.072 -0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.886 -12.283 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.257 -12.088 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.119 -10.196 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.025 -11.613 -3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.522 -11.680 -5.529 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.215 -10.190 -6.177 1.00 0.00 H new ATOM 410 N ARG A 27 -4.285 -10.251 -2.364 1.00 0.00 N ATOM 411 CA ARG A 27 -5.367 -9.493 -2.987 1.00 0.00 C ATOM 412 C ARG A 27 -5.957 -8.448 -2.018 1.00 0.00 C ATOM 413 O ARG A 27 -6.307 -7.332 -2.428 1.00 0.00 O ATOM 414 CB ARG A 27 -6.448 -10.459 -3.474 1.00 0.00 C ATOM 415 CG ARG A 27 -7.680 -9.806 -4.071 1.00 0.00 C ATOM 416 CD ARG A 27 -8.662 -10.858 -4.531 1.00 0.00 C ATOM 417 NE ARG A 27 -9.935 -10.301 -4.989 1.00 0.00 N ATOM 418 CZ ARG A 27 -11.027 -11.037 -5.249 1.00 0.00 C ATOM 419 NH1 ARG A 27 -10.976 -12.364 -5.146 1.00 0.00 N ATOM 420 NH2 ARG A 27 -12.157 -10.449 -5.621 1.00 0.00 N ATOM 0 H ARG A 27 -4.446 -11.258 -2.364 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.964 -8.946 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.010 -11.121 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.758 -11.084 -2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.151 -9.158 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.393 -9.174 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.214 -11.435 -5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.851 -11.552 -3.712 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.996 -9.291 -5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.107 -12.821 -4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.806 -12.923 -5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.198 -9.434 -5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.984 -11.012 -5.818 1.00 0.00 H new ATOM 434 N ARG A 28 -6.037 -8.800 -0.738 1.00 0.00 N ATOM 435 CA ARG A 28 -6.538 -7.870 0.267 1.00 0.00 C ATOM 436 C ARG A 28 -5.567 -6.723 0.409 1.00 0.00 C ATOM 437 O ARG A 28 -5.946 -5.570 0.294 1.00 0.00 O ATOM 438 CB ARG A 28 -6.744 -8.533 1.631 1.00 0.00 C ATOM 439 CG ARG A 28 -7.707 -9.692 1.621 1.00 0.00 C ATOM 440 CD ARG A 28 -8.032 -10.165 3.030 1.00 0.00 C ATOM 441 NE ARG A 28 -6.846 -10.588 3.794 1.00 0.00 N ATOM 442 CZ ARG A 28 -6.851 -11.550 4.730 1.00 0.00 C ATOM 443 NH1 ARG A 28 -7.951 -12.272 4.941 1.00 0.00 N ATOM 444 NH2 ARG A 28 -5.755 -11.801 5.437 1.00 0.00 N ATOM 0 H ARG A 28 -5.764 -9.713 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.511 -7.515 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.780 -8.881 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.104 -7.783 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.626 -9.397 1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.279 -10.516 1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.534 -9.361 3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.734 -10.997 2.973 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.962 -10.119 3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.791 -12.094 4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.953 -13.003 5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.905 -11.262 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.763 -12.533 6.147 1.00 0.00 H new ATOM 458 N CYS A 29 -4.303 -7.057 0.594 1.00 0.00 N ATOM 459 CA CYS A 29 -3.242 -6.075 0.731 1.00 0.00 C ATOM 460 C CYS A 29 -3.121 -5.220 -0.525 1.00 0.00 C ATOM 461 O CYS A 29 -2.824 -4.044 -0.457 1.00 0.00 O ATOM 462 CB CYS A 29 -1.927 -6.779 1.007 1.00 0.00 C ATOM 463 SG CYS A 29 -1.895 -7.715 2.562 1.00 0.00 S ATOM 0 H CYS A 29 -3.981 -8.023 0.654 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.486 -5.418 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.712 -7.459 0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.128 -6.038 1.026 1.00 0.00 H new ATOM 468 N GLN A 30 -3.384 -5.829 -1.659 1.00 0.00 N ATOM 469 CA GLN A 30 -3.353 -5.171 -2.950 1.00 0.00 C ATOM 470 C GLN A 30 -4.356 -4.016 -2.959 1.00 0.00 C ATOM 471 O GLN A 30 -4.082 -2.936 -3.482 1.00 0.00 O ATOM 472 CB GLN A 30 -3.716 -6.195 -4.019 1.00 0.00 C ATOM 473 CG GLN A 30 -3.514 -5.742 -5.435 1.00 0.00 C ATOM 474 CD GLN A 30 -3.989 -6.774 -6.422 1.00 0.00 C ATOM 475 OE1 GLN A 30 -5.143 -6.756 -6.849 1.00 0.00 O ATOM 476 NE2 GLN A 30 -3.130 -7.684 -6.786 1.00 0.00 N ATOM 0 H GLN A 30 -3.631 -6.817 -1.713 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.360 -4.769 -3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.122 -7.094 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.761 -6.475 -3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.051 -4.808 -5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.457 -5.536 -5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.181 -7.668 -6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.406 -8.412 -7.445 1.00 0.00 H new ATOM 485 N GLN A 31 -5.493 -4.253 -2.346 1.00 0.00 N ATOM 486 CA GLN A 31 -6.532 -3.264 -2.237 1.00 0.00 C ATOM 487 C GLN A 31 -6.216 -2.282 -1.104 1.00 0.00 C ATOM 488 O GLN A 31 -6.178 -1.077 -1.319 1.00 0.00 O ATOM 489 CB GLN A 31 -7.871 -3.946 -1.983 1.00 0.00 C ATOM 490 CG GLN A 31 -9.050 -2.994 -1.889 1.00 0.00 C ATOM 491 CD GLN A 31 -10.347 -3.694 -1.552 1.00 0.00 C ATOM 492 OE1 GLN A 31 -11.231 -3.114 -0.926 1.00 0.00 O ATOM 493 NE2 GLN A 31 -10.488 -4.922 -1.963 1.00 0.00 N ATOM 0 H GLN A 31 -5.721 -5.145 -1.907 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.588 -2.707 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.059 -4.661 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.805 -4.516 -1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.842 -2.240 -1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.163 -2.468 -2.837 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.736 -5.376 -2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.351 -5.429 -1.767 1.00 0.00 H new ATOM 502 N VAL A 32 -5.951 -2.822 0.086 1.00 0.00 N ATOM 503 CA VAL A 32 -5.694 -2.023 1.292 1.00 0.00 C ATOM 504 C VAL A 32 -4.524 -1.059 1.103 1.00 0.00 C ATOM 505 O VAL A 32 -4.669 0.139 1.334 1.00 0.00 O ATOM 506 CB VAL A 32 -5.448 -2.917 2.548 1.00 0.00 C ATOM 507 CG1 VAL A 32 -5.155 -2.071 3.785 1.00 0.00 C ATOM 508 CG2 VAL A 32 -6.648 -3.807 2.811 1.00 0.00 C ATOM 0 H VAL A 32 -5.908 -3.829 0.245 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.597 -1.437 1.461 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.577 -3.539 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.989 -2.724 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.264 -1.467 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.003 -1.416 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.458 -4.423 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.529 -3.189 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.820 -4.450 1.948 1.00 0.00 H new ATOM 518 N CYS A 33 -3.392 -1.566 0.633 1.00 0.00 N ATOM 519 CA CYS A 33 -2.203 -0.733 0.457 1.00 0.00 C ATOM 520 C CYS A 33 -2.447 0.354 -0.582 1.00 0.00 C ATOM 521 O CYS A 33 -1.925 1.452 -0.461 1.00 0.00 O ATOM 522 CB CYS A 33 -0.973 -1.573 0.068 1.00 0.00 C ATOM 523 SG CYS A 33 -0.536 -2.907 1.249 1.00 0.00 S ATOM 0 H CYS A 33 -3.269 -2.543 0.367 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.998 -0.259 1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.152 -2.019 -0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.116 -0.907 -0.037 1.00 0.00 H new ATOM 528 N GLU A 34 -3.276 0.054 -1.581 1.00 0.00 N ATOM 529 CA GLU A 34 -3.593 1.020 -2.615 1.00 0.00 C ATOM 530 C GLU A 34 -4.539 2.068 -2.064 1.00 0.00 C ATOM 531 O GLU A 34 -4.324 3.270 -2.246 1.00 0.00 O ATOM 532 CB GLU A 34 -4.230 0.336 -3.824 1.00 0.00 C ATOM 533 CG GLU A 34 -4.616 1.292 -4.946 1.00 0.00 C ATOM 534 CD GLU A 34 -5.246 0.587 -6.107 1.00 0.00 C ATOM 535 OE1 GLU A 34 -4.520 -0.023 -6.903 1.00 0.00 O ATOM 536 OE2 GLU A 34 -6.487 0.620 -6.249 1.00 0.00 O ATOM 0 H GLU A 34 -3.736 -0.850 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.666 1.496 -2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.535 -0.406 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.120 -0.202 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.308 2.040 -4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.728 1.825 -5.287 1.00 0.00 H new ATOM 543 N LYS A 35 -5.568 1.607 -1.372 1.00 0.00 N ATOM 544 CA LYS A 35 -6.578 2.472 -0.804 1.00 0.00 C ATOM 545 C LYS A 35 -5.974 3.410 0.223 1.00 0.00 C ATOM 546 O LYS A 35 -6.223 4.600 0.185 1.00 0.00 O ATOM 547 CB LYS A 35 -7.720 1.658 -0.184 1.00 0.00 C ATOM 548 CG LYS A 35 -8.858 2.522 0.353 1.00 0.00 C ATOM 549 CD LYS A 35 -10.022 1.703 0.899 1.00 0.00 C ATOM 550 CE LYS A 35 -10.671 0.819 -0.171 1.00 0.00 C ATOM 551 NZ LYS A 35 -11.200 1.600 -1.313 1.00 0.00 N ATOM 0 H LYS A 35 -5.723 0.615 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.992 3.072 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.116 0.973 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.323 1.048 0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.474 3.169 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.220 3.172 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.668 1.076 1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.772 2.376 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.938 0.100 -0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.482 0.246 0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.745 0.974 -1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.818 2.358 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.409 2.017 -1.844 1.00 0.00 H new ATOM 565 N ARG A 36 -5.147 2.879 1.106 1.00 0.00 N ATOM 566 CA ARG A 36 -4.493 3.688 2.131 1.00 0.00 C ATOM 567 C ARG A 36 -3.547 4.710 1.506 1.00 0.00 C ATOM 568 O ARG A 36 -3.450 5.850 1.978 1.00 0.00 O ATOM 569 CB ARG A 36 -3.760 2.808 3.152 1.00 0.00 C ATOM 570 CG ARG A 36 -4.681 1.948 4.015 1.00 0.00 C ATOM 571 CD ARG A 36 -5.588 2.807 4.885 1.00 0.00 C ATOM 572 NE ARG A 36 -4.815 3.645 5.813 1.00 0.00 N ATOM 573 CZ ARG A 36 -5.121 4.896 6.175 1.00 0.00 C ATOM 574 NH1 ARG A 36 -6.204 5.505 5.693 1.00 0.00 N ATOM 575 NH2 ARG A 36 -4.333 5.532 7.025 1.00 0.00 N ATOM 0 H ARG A 36 -4.909 1.888 1.137 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.270 4.236 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.066 2.157 2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.163 3.447 3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.288 1.307 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.082 1.292 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.207 3.442 4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.264 2.166 5.450 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.972 3.237 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.814 5.017 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.423 6.459 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.504 5.069 7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.554 6.486 7.310 1.00 0.00 H new ATOM 589 N LEU A 37 -2.898 4.321 0.420 1.00 0.00 N ATOM 590 CA LEU A 37 -1.997 5.204 -0.302 1.00 0.00 C ATOM 591 C LEU A 37 -2.830 6.314 -0.963 1.00 0.00 C ATOM 592 O LEU A 37 -2.496 7.505 -0.888 1.00 0.00 O ATOM 593 CB LEU A 37 -1.201 4.367 -1.344 1.00 0.00 C ATOM 594 CG LEU A 37 0.026 5.006 -2.033 1.00 0.00 C ATOM 595 CD1 LEU A 37 -0.352 6.051 -3.062 1.00 0.00 C ATOM 596 CD2 LEU A 37 0.960 5.588 -0.992 1.00 0.00 C ATOM 0 H LEU A 37 -2.981 3.388 0.016 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.276 5.674 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.864 3.457 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.898 4.064 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 37 0.538 4.213 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.552 6.463 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.966 5.593 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.914 6.850 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.822 6.036 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.434 6.350 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.297 4.797 -0.322 1.00 0.00 H new ATOM 608 N ARG A 38 -3.942 5.913 -1.552 1.00 0.00 N ATOM 609 CA ARG A 38 -4.872 6.820 -2.200 1.00 0.00 C ATOM 610 C ARG A 38 -5.517 7.749 -1.159 1.00 0.00 C ATOM 611 O ARG A 38 -5.865 8.884 -1.462 1.00 0.00 O ATOM 612 CB ARG A 38 -5.930 6.010 -2.967 1.00 0.00 C ATOM 613 CG ARG A 38 -6.944 6.826 -3.750 1.00 0.00 C ATOM 614 CD ARG A 38 -7.908 5.909 -4.483 1.00 0.00 C ATOM 615 NE ARG A 38 -8.991 6.637 -5.160 1.00 0.00 N ATOM 616 CZ ARG A 38 -10.131 6.082 -5.603 1.00 0.00 C ATOM 617 NH1 ARG A 38 -10.367 4.779 -5.421 1.00 0.00 N ATOM 618 NH2 ARG A 38 -11.046 6.836 -6.206 1.00 0.00 N ATOM 0 H ARG A 38 -4.228 4.935 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.338 7.446 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.418 5.341 -3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.467 5.383 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.496 7.478 -3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.430 7.469 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.356 5.324 -5.218 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.340 5.203 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.867 7.639 -5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.679 4.198 -4.942 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.235 4.366 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.882 7.835 -6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.912 6.415 -6.543 1.00 0.00 H new ATOM 632 N GLU A 39 -5.671 7.260 0.062 1.00 0.00 N ATOM 633 CA GLU A 39 -6.164 8.083 1.155 1.00 0.00 C ATOM 634 C GLU A 39 -5.111 9.066 1.611 1.00 0.00 C ATOM 635 O GLU A 39 -5.438 10.194 1.966 1.00 0.00 O ATOM 636 CB GLU A 39 -6.621 7.264 2.352 1.00 0.00 C ATOM 637 CG GLU A 39 -7.881 6.464 2.143 1.00 0.00 C ATOM 638 CD GLU A 39 -8.351 5.865 3.433 1.00 0.00 C ATOM 639 OE1 GLU A 39 -9.091 6.547 4.177 1.00 0.00 O ATOM 640 OE2 GLU A 39 -7.951 4.744 3.766 1.00 0.00 O ATOM 0 H GLU A 39 -5.461 6.296 0.321 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.028 8.616 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.819 6.581 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.774 7.938 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.660 7.105 1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.699 5.674 1.415 1.00 0.00 H new ATOM 647 N ARG A 40 -3.855 8.639 1.590 1.00 0.00 N ATOM 648 CA ARG A 40 -2.739 9.483 2.015 1.00 0.00 C ATOM 649 C ARG A 40 -2.673 10.692 1.096 1.00 0.00 C ATOM 650 O ARG A 40 -2.626 11.844 1.539 1.00 0.00 O ATOM 651 CB ARG A 40 -1.407 8.730 1.900 1.00 0.00 C ATOM 652 CG ARG A 40 -0.314 9.304 2.780 1.00 0.00 C ATOM 653 CD ARG A 40 1.081 8.955 2.283 1.00 0.00 C ATOM 654 NE ARG A 40 1.464 9.809 1.151 1.00 0.00 N ATOM 655 CZ ARG A 40 2.707 10.232 0.878 1.00 0.00 C ATOM 656 NH1 ARG A 40 3.764 9.689 1.466 1.00 0.00 N ATOM 657 NH2 ARG A 40 2.877 11.168 -0.032 1.00 0.00 N ATOM 0 H ARG A 40 -3.580 7.707 1.281 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.898 9.775 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.565 7.684 2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.075 8.749 0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.420 10.388 2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.437 8.931 3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.800 9.074 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.112 7.908 1.981 1.00 0.00 H new ATOM 0 HE ARG A 40 0.721 10.106 0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.641 8.934 2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.701 10.026 1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.070 11.560 -0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.816 11.501 -0.252 1.00 0.00 H new ATOM 671 N GLU A 41 -2.713 10.413 -0.186 1.00 0.00 N ATOM 672 CA GLU A 41 -2.663 11.440 -1.208 1.00 0.00 C ATOM 673 C GLU A 41 -4.005 12.139 -1.351 1.00 0.00 C ATOM 674 O GLU A 41 -4.100 13.229 -1.891 1.00 0.00 O ATOM 675 CB GLU A 41 -2.189 10.846 -2.526 1.00 0.00 C ATOM 676 CG GLU A 41 -0.787 10.269 -2.435 1.00 0.00 C ATOM 677 CD GLU A 41 0.225 11.304 -2.006 1.00 0.00 C ATOM 678 OE1 GLU A 41 0.352 11.572 -0.789 1.00 0.00 O ATOM 679 OE2 GLU A 41 0.915 11.872 -2.865 1.00 0.00 O ATOM 0 H GLU A 41 -2.781 9.464 -0.554 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.943 12.200 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.881 10.063 -2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.212 11.616 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.781 9.441 -1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.499 9.861 -3.404 1.00 0.00 H new ATOM 686 N GLY A 42 -5.031 11.498 -0.852 1.00 0.00 N ATOM 687 CA GLY A 42 -6.360 12.057 -0.860 1.00 0.00 C ATOM 688 C GLY A 42 -6.581 12.990 0.300 1.00 0.00 C ATOM 689 O GLY A 42 -7.544 13.741 0.334 1.00 0.00 O ATOM 0 H GLY A 42 -4.969 10.572 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.523 12.594 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.093 11.251 -0.823 1.00 0.00 H new ATOM 693 N ARG A 43 -5.682 12.940 1.253 1.00 0.00 N ATOM 694 CA ARG A 43 -5.773 13.758 2.439 1.00 0.00 C ATOM 695 C ARG A 43 -5.213 15.158 2.157 1.00 0.00 C ATOM 696 O ARG A 43 -5.324 16.069 2.975 1.00 0.00 O ATOM 697 CB ARG A 43 -5.012 13.080 3.586 1.00 0.00 C ATOM 698 CG ARG A 43 -5.286 13.631 4.985 1.00 0.00 C ATOM 699 CD ARG A 43 -6.757 13.464 5.383 1.00 0.00 C ATOM 700 NE ARG A 43 -7.655 14.425 4.710 1.00 0.00 N ATOM 701 CZ ARG A 43 -8.851 14.145 4.155 1.00 0.00 C ATOM 702 NH1 ARG A 43 -9.283 12.887 4.067 1.00 0.00 N ATOM 703 NH2 ARG A 43 -9.598 15.130 3.669 1.00 0.00 N ATOM 0 H ARG A 43 -4.865 12.330 1.228 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.818 13.866 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.256 12.018 3.581 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.944 13.163 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.653 13.118 5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.018 14.687 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.078 12.450 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.850 13.584 6.462 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.339 15.394 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.707 12.124 4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.190 12.688 3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.266 16.093 3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.504 14.923 3.248 1.00 0.00 H new ATOM 717 N ARG A 44 -4.624 15.303 0.994 1.00 0.00 N ATOM 718 CA ARG A 44 -4.055 16.544 0.544 1.00 0.00 C ATOM 719 C ARG A 44 -4.461 16.733 -0.896 1.00 0.00 C ATOM 720 O ARG A 44 -5.110 15.849 -1.476 1.00 0.00 O ATOM 721 CB ARG A 44 -2.530 16.483 0.583 1.00 0.00 C ATOM 722 CG ARG A 44 -1.902 16.192 1.932 1.00 0.00 C ATOM 723 CD ARG A 44 -0.396 16.312 1.832 1.00 0.00 C ATOM 724 NE ARG A 44 -0.007 17.677 1.458 1.00 0.00 N ATOM 725 CZ ARG A 44 0.819 18.021 0.460 1.00 0.00 C ATOM 726 NH1 ARG A 44 1.391 17.088 -0.310 1.00 0.00 N ATOM 727 NH2 ARG A 44 1.061 19.306 0.227 1.00 0.00 N ATOM 0 H ARG A 44 -4.527 14.542 0.322 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.402 17.354 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.200 15.718 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.141 17.435 0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.283 16.889 2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.175 15.190 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.059 16.048 2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.018 15.606 1.093 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.403 18.437 2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.200 16.100 -0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.017 17.365 -1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.620 20.021 0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.688 19.578 -0.530 1.00 0.00 H new ATOM 741 N GLU A 45 -4.108 17.849 -1.474 1.00 0.00 N ATOM 742 CA GLU A 45 -4.303 18.038 -2.883 1.00 0.00 C ATOM 743 C GLU A 45 -3.009 17.733 -3.588 1.00 0.00 C ATOM 744 O GLU A 45 -2.039 18.485 -3.483 1.00 0.00 O ATOM 745 CB GLU A 45 -4.791 19.442 -3.258 1.00 0.00 C ATOM 746 CG GLU A 45 -6.257 19.741 -2.961 1.00 0.00 C ATOM 747 CD GLU A 45 -6.580 19.848 -1.505 1.00 0.00 C ATOM 748 OE1 GLU A 45 -6.491 20.962 -0.950 1.00 0.00 O ATOM 749 OE2 GLU A 45 -6.981 18.845 -0.898 1.00 0.00 O ATOM 0 H GLU A 45 -3.684 18.640 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.095 17.358 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.177 20.172 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.619 19.593 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.532 20.675 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.872 18.956 -3.401 1.00 0.00 H new ATOM 756 N VAL A 46 -2.969 16.636 -4.266 1.00 0.00 N ATOM 757 CA VAL A 46 -1.764 16.221 -4.926 1.00 0.00 C ATOM 758 C VAL A 46 -1.725 16.632 -6.392 1.00 0.00 C ATOM 759 O VAL A 46 -2.119 15.881 -7.301 1.00 0.00 O ATOM 760 CB VAL A 46 -1.450 14.715 -4.722 1.00 0.00 C ATOM 761 CG1 VAL A 46 -1.072 14.479 -3.275 1.00 0.00 C ATOM 762 CG2 VAL A 46 -2.655 13.842 -5.080 1.00 0.00 C ATOM 0 H VAL A 46 -3.760 16.002 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.956 16.764 -4.436 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.625 14.443 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.850 13.422 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.193 15.073 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.901 14.771 -2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.403 12.793 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.499 14.109 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.922 14.002 -6.125 1.00 0.00 H new ATOM 772 N ASP A 47 -1.304 17.841 -6.619 1.00 0.00 N ATOM 773 CA ASP A 47 -1.189 18.371 -7.953 1.00 0.00 C ATOM 774 C ASP A 47 0.260 18.649 -8.225 1.00 0.00 C ATOM 775 O ASP A 47 0.781 19.647 -7.716 1.00 0.00 O ATOM 776 CB ASP A 47 -2.028 19.646 -8.129 1.00 0.00 C ATOM 777 CG ASP A 47 -1.999 20.169 -9.553 1.00 0.00 C ATOM 778 OD1 ASP A 47 -2.713 19.611 -10.409 1.00 0.00 O ATOM 779 OD2 ASP A 47 -1.295 21.164 -9.840 1.00 0.00 O ATOM 780 OXT ASP A 47 0.913 17.841 -8.899 1.00 0.00 O ATOM 0 H ASP A 47 -1.029 18.493 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.573 17.640 -8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.059 19.441 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.657 20.417 -7.454 1.00 0.00 H new TER 785 ASP A 47