USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=3 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 Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 22:sc= 0.979 USER MOD Single : A 9 TYR OH : rot 180:sc= 0.811 USER MOD Single : A 17 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.69) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.758 K(o=-0.76,f=-2.5!) USER MOD Single : A 30 GLN : amide:sc=-0.00624 K(o=-0.0062,f=-1) USER MOD Single : A 31 GLN : amide:sc= -0.627 K(o=-0.63,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 14.174 10.600 8.291 1.00 0.00 N ATOM 2 CA PRO A 1 13.255 11.102 7.300 1.00 0.00 C ATOM 3 C PRO A 1 12.124 10.110 7.125 1.00 0.00 C ATOM 4 O PRO A 1 12.117 9.052 7.766 1.00 0.00 O ATOM 5 CB PRO A 1 14.001 11.297 5.989 1.00 0.00 C ATOM 6 CG PRO A 1 15.334 10.672 6.238 1.00 0.00 C ATOM 7 CD PRO A 1 15.530 10.650 7.744 1.00 0.00 C ATOM 0 H2 PRO A 1 13.931 9.643 8.545 1.00 0.00 H new ATOM 0 H3 PRO A 1 14.116 11.159 9.142 1.00 0.00 H new ATOM 0 HA PRO A 1 12.839 12.058 7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 1 13.483 10.816 5.159 1.00 0.00 H new ATOM 0 HB3 PRO A 1 14.096 12.353 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 1 15.371 9.663 5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 1 16.126 11.243 5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 1 16.115 9.785 8.055 1.00 0.00 H new ATOM 0 HD3 PRO A 1 16.064 11.536 8.087 1.00 0.00 H new ATOM 17 N ARG A 2 11.177 10.439 6.284 1.00 0.00 N ATOM 18 CA ARG A 2 10.068 9.556 6.002 1.00 0.00 C ATOM 19 C ARG A 2 10.305 8.885 4.666 1.00 0.00 C ATOM 20 O ARG A 2 11.287 9.192 3.972 1.00 0.00 O ATOM 21 CB ARG A 2 8.739 10.318 5.978 1.00 0.00 C ATOM 22 CG ARG A 2 8.375 10.978 7.297 1.00 0.00 C ATOM 23 CD ARG A 2 7.026 11.679 7.218 1.00 0.00 C ATOM 24 NE ARG A 2 7.008 12.720 6.183 1.00 0.00 N ATOM 25 CZ ARG A 2 6.192 13.780 6.148 1.00 0.00 C ATOM 26 NH1 ARG A 2 5.287 13.977 7.105 1.00 0.00 N ATOM 27 NH2 ARG A 2 6.284 14.634 5.139 1.00 0.00 N ATOM 0 H ARG A 2 11.150 11.323 5.776 1.00 0.00 H new ATOM 0 HA ARG A 2 10.005 8.808 6.793 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.786 11.083 5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.943 9.628 5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.350 10.226 8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.146 11.700 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.248 10.945 7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.792 12.125 8.185 1.00 0.00 H new ATOM 0 HE ARG A 2 7.679 12.627 5.421 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.209 13.315 7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.672 14.789 7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.971 14.479 4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.668 15.446 5.100 1.00 0.00 H new ATOM 41 N GLY A 3 9.438 7.994 4.304 1.00 0.00 N ATOM 42 CA GLY A 3 9.568 7.312 3.058 1.00 0.00 C ATOM 43 C GLY A 3 8.739 7.963 1.992 1.00 0.00 C ATOM 44 O GLY A 3 7.804 8.724 2.291 1.00 0.00 O ATOM 0 H GLY A 3 8.627 7.721 4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.614 7.303 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.262 6.273 3.176 1.00 0.00 H new ATOM 48 N SER A 4 9.084 7.707 0.765 1.00 0.00 N ATOM 49 CA SER A 4 8.348 8.223 -0.350 1.00 0.00 C ATOM 50 C SER A 4 6.983 7.495 -0.420 1.00 0.00 C ATOM 51 O SER A 4 6.905 6.293 -0.107 1.00 0.00 O ATOM 52 CB SER A 4 9.157 7.980 -1.617 1.00 0.00 C ATOM 53 OG SER A 4 10.508 8.402 -1.448 1.00 0.00 O ATOM 0 H SER A 4 9.887 7.132 0.509 1.00 0.00 H new ATOM 0 HA SER A 4 8.171 9.293 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.132 6.920 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.705 8.518 -2.450 1.00 0.00 H new ATOM 0 HG SER A 4 11.009 8.235 -2.274 1.00 0.00 H new ATOM 59 N PRO A 5 5.902 8.195 -0.797 1.00 0.00 N ATOM 60 CA PRO A 5 4.553 7.615 -0.860 1.00 0.00 C ATOM 61 C PRO A 5 4.466 6.331 -1.699 1.00 0.00 C ATOM 62 O PRO A 5 3.804 5.370 -1.302 1.00 0.00 O ATOM 63 CB PRO A 5 3.692 8.726 -1.477 1.00 0.00 C ATOM 64 CG PRO A 5 4.654 9.742 -1.996 1.00 0.00 C ATOM 65 CD PRO A 5 5.889 9.621 -1.160 1.00 0.00 C ATOM 0 HA PRO A 5 4.224 7.305 0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.065 8.336 -2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.025 9.162 -0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.878 9.563 -3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.234 10.746 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.783 9.904 -1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.845 10.262 -0.279 1.00 0.00 H new ATOM 73 N ARG A 6 5.170 6.290 -2.824 1.00 0.00 N ATOM 74 CA ARG A 6 5.121 5.126 -3.704 1.00 0.00 C ATOM 75 C ARG A 6 5.771 3.927 -3.007 1.00 0.00 C ATOM 76 O ARG A 6 5.265 2.806 -3.064 1.00 0.00 O ATOM 77 CB ARG A 6 5.836 5.421 -5.023 1.00 0.00 C ATOM 78 CG ARG A 6 5.293 4.663 -6.228 1.00 0.00 C ATOM 79 CD ARG A 6 3.861 5.109 -6.526 1.00 0.00 C ATOM 80 NE ARG A 6 3.773 6.578 -6.647 1.00 0.00 N ATOM 81 CZ ARG A 6 2.836 7.355 -6.066 1.00 0.00 C ATOM 82 NH1 ARG A 6 1.764 6.823 -5.505 1.00 0.00 N ATOM 83 NH2 ARG A 6 2.963 8.669 -6.099 1.00 0.00 N ATOM 0 H ARG A 6 5.778 7.043 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 6 4.079 4.893 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.770 6.490 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.893 5.183 -4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.927 4.843 -7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.315 3.591 -6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.518 4.644 -7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.198 4.767 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 6 4.479 7.044 -7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.636 5.811 -5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.065 7.424 -5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.767 9.092 -6.562 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.257 9.261 -5.661 1.00 0.00 H new ATOM 97 N THR A 7 6.862 4.183 -2.303 1.00 0.00 N ATOM 98 CA THR A 7 7.555 3.139 -1.589 1.00 0.00 C ATOM 99 C THR A 7 6.778 2.704 -0.344 1.00 0.00 C ATOM 100 O THR A 7 6.832 1.553 0.043 1.00 0.00 O ATOM 101 CB THR A 7 9.007 3.542 -1.245 1.00 0.00 C ATOM 102 OG1 THR A 7 9.047 4.846 -0.647 1.00 0.00 O ATOM 103 CG2 THR A 7 9.870 3.542 -2.485 1.00 0.00 C ATOM 0 H THR A 7 7.282 5.108 -2.215 1.00 0.00 H new ATOM 0 HA THR A 7 7.615 2.278 -2.254 1.00 0.00 H new ATOM 0 HB THR A 7 9.392 2.809 -0.536 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.168 5.060 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.888 3.828 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.876 2.544 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.469 4.253 -3.207 1.00 0.00 H new ATOM 111 N GLU A 8 6.020 3.637 0.237 1.00 0.00 N ATOM 112 CA GLU A 8 5.165 3.366 1.397 1.00 0.00 C ATOM 113 C GLU A 8 4.132 2.313 1.002 1.00 0.00 C ATOM 114 O GLU A 8 3.887 1.332 1.721 1.00 0.00 O ATOM 115 CB GLU A 8 4.456 4.670 1.801 1.00 0.00 C ATOM 116 CG GLU A 8 3.605 4.587 3.058 1.00 0.00 C ATOM 117 CD GLU A 8 4.406 4.198 4.266 1.00 0.00 C ATOM 118 OE1 GLU A 8 4.247 3.065 4.761 1.00 0.00 O ATOM 119 OE2 GLU A 8 5.241 5.004 4.728 1.00 0.00 O ATOM 0 H GLU A 8 5.981 4.604 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 8 5.756 3.000 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.210 5.444 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.822 4.990 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.129 5.551 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.806 3.861 2.906 1.00 0.00 H new ATOM 126 N TYR A 9 3.578 2.513 -0.173 1.00 0.00 N ATOM 127 CA TYR A 9 2.628 1.636 -0.754 1.00 0.00 C ATOM 128 C TYR A 9 3.258 0.265 -1.050 1.00 0.00 C ATOM 129 O TYR A 9 2.669 -0.781 -0.726 1.00 0.00 O ATOM 130 CB TYR A 9 2.084 2.316 -2.012 1.00 0.00 C ATOM 131 CG TYR A 9 1.510 1.400 -3.030 1.00 0.00 C ATOM 132 CD1 TYR A 9 2.274 1.037 -4.111 1.00 0.00 C ATOM 133 CD2 TYR A 9 0.239 0.884 -2.909 1.00 0.00 C ATOM 134 CE1 TYR A 9 1.799 0.175 -5.062 1.00 0.00 C ATOM 135 CE2 TYR A 9 -0.260 0.019 -3.858 1.00 0.00 C ATOM 136 CZ TYR A 9 0.528 -0.334 -4.931 1.00 0.00 C ATOM 137 OH TYR A 9 0.052 -1.211 -5.871 1.00 0.00 O ATOM 0 H TYR A 9 3.794 3.321 -0.757 1.00 0.00 H new ATOM 0 HA TYR A 9 1.805 1.441 -0.067 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.316 3.031 -1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.890 2.887 -2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.271 1.440 -4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.372 1.160 -2.062 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.415 -0.102 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.260 -0.379 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.860 -1.480 -5.635 1.00 0.00 H new ATOM 147 N GLU A 10 4.444 0.280 -1.646 1.00 0.00 N ATOM 148 CA GLU A 10 5.160 -0.943 -1.967 1.00 0.00 C ATOM 149 C GLU A 10 5.481 -1.733 -0.702 1.00 0.00 C ATOM 150 O GLU A 10 5.216 -2.931 -0.631 1.00 0.00 O ATOM 151 CB GLU A 10 6.441 -0.650 -2.750 1.00 0.00 C ATOM 152 CG GLU A 10 7.246 -1.900 -3.056 1.00 0.00 C ATOM 153 CD GLU A 10 8.494 -1.639 -3.833 1.00 0.00 C ATOM 154 OE1 GLU A 10 9.497 -1.185 -3.248 1.00 0.00 O ATOM 155 OE2 GLU A 10 8.524 -1.935 -5.049 1.00 0.00 O ATOM 0 H GLU A 10 4.931 1.134 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 10 4.509 -1.548 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.183 -0.152 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.059 0.043 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.509 -2.390 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.620 -2.596 -3.615 1.00 0.00 H new ATOM 162 N ALA A 11 6.004 -1.042 0.297 1.00 0.00 N ATOM 163 CA ALA A 11 6.381 -1.645 1.571 1.00 0.00 C ATOM 164 C ALA A 11 5.203 -2.350 2.214 1.00 0.00 C ATOM 165 O ALA A 11 5.346 -3.448 2.734 1.00 0.00 O ATOM 166 CB ALA A 11 6.936 -0.589 2.508 1.00 0.00 C ATOM 0 H ALA A 11 6.182 -0.039 0.249 1.00 0.00 H new ATOM 0 HA ALA A 11 7.154 -2.389 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.213 -1.052 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.816 -0.129 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.178 0.174 2.686 1.00 0.00 H new ATOM 172 N CYS A 12 4.039 -1.732 2.132 1.00 0.00 N ATOM 173 CA CYS A 12 2.817 -2.285 2.695 1.00 0.00 C ATOM 174 C CYS A 12 2.475 -3.626 2.004 1.00 0.00 C ATOM 175 O CYS A 12 2.060 -4.618 2.662 1.00 0.00 O ATOM 176 CB CYS A 12 1.677 -1.268 2.525 1.00 0.00 C ATOM 177 SG CYS A 12 0.130 -1.677 3.410 1.00 0.00 S ATOM 0 H CYS A 12 3.912 -0.830 1.672 1.00 0.00 H new ATOM 0 HA CYS A 12 2.955 -2.482 3.758 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.026 -0.294 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.454 -1.171 1.463 1.00 0.00 H new ATOM 182 N ARG A 13 2.706 -3.671 0.688 1.00 0.00 N ATOM 183 CA ARG A 13 2.481 -4.871 -0.101 1.00 0.00 C ATOM 184 C ARG A 13 3.470 -5.945 0.317 1.00 0.00 C ATOM 185 O ARG A 13 3.080 -7.067 0.641 1.00 0.00 O ATOM 186 CB ARG A 13 2.642 -4.583 -1.608 1.00 0.00 C ATOM 187 CG ARG A 13 1.596 -3.646 -2.198 1.00 0.00 C ATOM 188 CD ARG A 13 1.887 -3.324 -3.668 1.00 0.00 C ATOM 189 NE ARG A 13 1.945 -4.525 -4.523 1.00 0.00 N ATOM 190 CZ ARG A 13 1.867 -4.531 -5.877 1.00 0.00 C ATOM 191 NH1 ARG A 13 1.506 -3.433 -6.541 1.00 0.00 N ATOM 192 NH2 ARG A 13 2.069 -5.662 -6.554 1.00 0.00 N ATOM 0 H ARG A 13 3.052 -2.878 0.149 1.00 0.00 H new ATOM 0 HA ARG A 13 1.461 -5.213 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.630 -4.154 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.608 -5.529 -2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.610 -4.103 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.569 -2.721 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.116 -2.653 -4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.835 -2.791 -3.736 1.00 0.00 H new ATOM 0 HE ARG A 13 2.053 -5.426 -4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.285 -2.578 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.450 -3.448 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.283 -6.525 -6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.010 -5.664 -7.572 1.00 0.00 H new ATOM 206 N VAL A 14 4.746 -5.568 0.352 1.00 0.00 N ATOM 207 CA VAL A 14 5.843 -6.467 0.709 1.00 0.00 C ATOM 208 C VAL A 14 5.646 -7.032 2.120 1.00 0.00 C ATOM 209 O VAL A 14 5.911 -8.211 2.364 1.00 0.00 O ATOM 210 CB VAL A 14 7.225 -5.756 0.601 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.363 -6.697 0.969 1.00 0.00 C ATOM 212 CG2 VAL A 14 7.438 -5.220 -0.806 1.00 0.00 C ATOM 0 H VAL A 14 5.052 -4.620 0.131 1.00 0.00 H new ATOM 0 HA VAL A 14 5.833 -7.292 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 14 7.224 -4.926 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.313 -6.170 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.232 -7.044 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.361 -7.553 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.408 -4.726 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.407 -6.045 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.652 -4.504 -1.046 1.00 0.00 H new ATOM 222 N ARG A 15 5.160 -6.189 3.019 1.00 0.00 N ATOM 223 CA ARG A 15 4.845 -6.568 4.391 1.00 0.00 C ATOM 224 C ARG A 15 3.914 -7.789 4.396 1.00 0.00 C ATOM 225 O ARG A 15 4.244 -8.830 4.974 1.00 0.00 O ATOM 226 CB ARG A 15 4.186 -5.378 5.114 1.00 0.00 C ATOM 227 CG ARG A 15 3.848 -5.607 6.584 1.00 0.00 C ATOM 228 CD ARG A 15 5.091 -5.797 7.449 1.00 0.00 C ATOM 229 NE ARG A 15 5.962 -4.608 7.471 1.00 0.00 N ATOM 230 CZ ARG A 15 6.923 -4.373 8.387 1.00 0.00 C ATOM 231 NH1 ARG A 15 7.150 -5.247 9.368 1.00 0.00 N ATOM 232 NH2 ARG A 15 7.653 -3.263 8.314 1.00 0.00 N ATOM 0 H ARG A 15 4.970 -5.208 2.814 1.00 0.00 H new ATOM 0 HA ARG A 15 5.762 -6.834 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.852 -4.518 5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.269 -5.117 4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.276 -4.758 6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.210 -6.486 6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.785 -6.036 8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.659 -6.650 7.078 1.00 0.00 H new ATOM 0 HE ARG A 15 5.828 -3.911 6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.595 -6.100 9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.879 -5.062 10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.485 -2.591 7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.380 -3.084 9.007 1.00 0.00 H new ATOM 246 N CYS A 16 2.793 -7.684 3.696 1.00 0.00 N ATOM 247 CA CYS A 16 1.854 -8.804 3.620 1.00 0.00 C ATOM 248 C CYS A 16 2.384 -9.974 2.790 1.00 0.00 C ATOM 249 O CYS A 16 2.066 -11.127 3.075 1.00 0.00 O ATOM 250 CB CYS A 16 0.478 -8.373 3.141 1.00 0.00 C ATOM 251 SG CYS A 16 -0.455 -7.377 4.349 1.00 0.00 S ATOM 0 H CYS A 16 2.511 -6.851 3.179 1.00 0.00 H new ATOM 0 HA CYS A 16 1.749 -9.164 4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.589 -7.798 2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.103 -9.261 2.893 1.00 0.00 H new ATOM 256 N GLN A 17 3.210 -9.685 1.787 1.00 0.00 N ATOM 257 CA GLN A 17 3.820 -10.735 0.956 1.00 0.00 C ATOM 258 C GLN A 17 4.703 -11.652 1.791 1.00 0.00 C ATOM 259 O GLN A 17 4.879 -12.833 1.471 1.00 0.00 O ATOM 260 CB GLN A 17 4.659 -10.136 -0.156 1.00 0.00 C ATOM 261 CG GLN A 17 3.885 -9.414 -1.235 1.00 0.00 C ATOM 262 CD GLN A 17 4.809 -8.763 -2.234 1.00 0.00 C ATOM 263 OE1 GLN A 17 5.924 -9.239 -2.469 1.00 0.00 O ATOM 264 NE2 GLN A 17 4.370 -7.695 -2.827 1.00 0.00 N ATOM 0 H GLN A 17 3.476 -8.736 1.526 1.00 0.00 H new ATOM 0 HA GLN A 17 3.002 -11.311 0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.372 -9.439 0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.239 -10.933 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.230 -10.118 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.246 -8.657 -0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.443 -7.333 -2.605 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.952 -7.218 -3.515 1.00 0.00 H new ATOM 273 N VAL A 18 5.279 -11.098 2.829 1.00 0.00 N ATOM 274 CA VAL A 18 6.111 -11.851 3.727 1.00 0.00 C ATOM 275 C VAL A 18 5.268 -12.475 4.842 1.00 0.00 C ATOM 276 O VAL A 18 5.276 -13.691 5.023 1.00 0.00 O ATOM 277 CB VAL A 18 7.241 -10.965 4.334 1.00 0.00 C ATOM 278 CG1 VAL A 18 8.080 -11.746 5.332 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.133 -10.409 3.231 1.00 0.00 C ATOM 0 H VAL A 18 5.183 -10.112 3.073 1.00 0.00 H new ATOM 0 HA VAL A 18 6.583 -12.649 3.153 1.00 0.00 H new ATOM 0 HB VAL A 18 6.765 -10.138 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.859 -11.100 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.444 -12.100 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.539 -12.599 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.916 -9.793 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.587 -11.233 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.535 -9.803 2.550 1.00 0.00 H new ATOM 289 N ALA A 19 4.519 -11.641 5.547 1.00 0.00 N ATOM 290 CA ALA A 19 3.753 -12.078 6.710 1.00 0.00 C ATOM 291 C ALA A 19 2.608 -13.029 6.360 1.00 0.00 C ATOM 292 O ALA A 19 2.584 -14.173 6.828 1.00 0.00 O ATOM 293 CB ALA A 19 3.230 -10.878 7.480 1.00 0.00 C ATOM 0 H ALA A 19 4.423 -10.648 5.333 1.00 0.00 H new ATOM 0 HA ALA A 19 4.441 -12.644 7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.661 -11.220 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.068 -10.268 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.585 -10.284 6.833 1.00 0.00 H new ATOM 299 N GLU A 20 1.690 -12.570 5.532 1.00 0.00 N ATOM 300 CA GLU A 20 0.506 -13.343 5.188 1.00 0.00 C ATOM 301 C GLU A 20 0.877 -14.508 4.286 1.00 0.00 C ATOM 302 O GLU A 20 0.507 -15.659 4.558 1.00 0.00 O ATOM 303 CB GLU A 20 -0.533 -12.450 4.498 1.00 0.00 C ATOM 304 CG GLU A 20 -0.993 -11.248 5.322 1.00 0.00 C ATOM 305 CD GLU A 20 -1.641 -11.640 6.630 1.00 0.00 C ATOM 306 OE1 GLU A 20 -0.947 -11.695 7.656 1.00 0.00 O ATOM 307 OE2 GLU A 20 -2.848 -11.903 6.658 1.00 0.00 O ATOM 0 H GLU A 20 1.740 -11.657 5.080 1.00 0.00 H new ATOM 0 HA GLU A 20 0.073 -13.738 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.115 -12.090 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.404 -13.056 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.137 -10.605 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.699 -10.661 4.735 1.00 0.00 H new ATOM 314 N HIS A 21 1.624 -14.188 3.230 1.00 0.00 N ATOM 315 CA HIS A 21 2.103 -15.144 2.230 1.00 0.00 C ATOM 316 C HIS A 21 0.947 -15.955 1.622 1.00 0.00 C ATOM 317 O HIS A 21 0.595 -17.051 2.094 1.00 0.00 O ATOM 318 CB HIS A 21 3.220 -16.064 2.794 1.00 0.00 C ATOM 319 CG HIS A 21 3.863 -16.964 1.766 1.00 0.00 C ATOM 320 ND1 HIS A 21 3.674 -18.330 1.702 1.00 0.00 N ATOM 321 CD2 HIS A 21 4.717 -16.662 0.759 1.00 0.00 C ATOM 322 CE1 HIS A 21 4.393 -18.804 0.683 1.00 0.00 C ATOM 323 NE2 HIS A 21 5.051 -17.830 0.072 1.00 0.00 N ATOM 0 H HIS A 21 1.921 -13.231 3.041 1.00 0.00 H new ATOM 0 HA HIS A 21 2.550 -14.564 1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.991 -15.442 3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.799 -16.681 3.588 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.082 -15.673 0.525 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.433 -19.844 0.394 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.672 -17.916 -0.733 1.00 0.00 H new ATOM 331 N GLY A 22 0.328 -15.398 0.632 1.00 0.00 N ATOM 332 CA GLY A 22 -0.765 -16.038 -0.029 1.00 0.00 C ATOM 333 C GLY A 22 -1.455 -15.079 -0.935 1.00 0.00 C ATOM 334 O GLY A 22 -1.577 -13.909 -0.602 1.00 0.00 O ATOM 0 H GLY A 22 0.567 -14.480 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.403 -16.892 -0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.469 -16.423 0.708 1.00 0.00 H new ATOM 338 N VAL A 23 -1.915 -15.575 -2.061 1.00 0.00 N ATOM 339 CA VAL A 23 -2.523 -14.770 -3.119 1.00 0.00 C ATOM 340 C VAL A 23 -3.732 -13.963 -2.627 1.00 0.00 C ATOM 341 O VAL A 23 -3.822 -12.756 -2.888 1.00 0.00 O ATOM 342 CB VAL A 23 -2.942 -15.665 -4.323 1.00 0.00 C ATOM 343 CG1 VAL A 23 -3.533 -14.836 -5.452 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.756 -16.473 -4.826 1.00 0.00 C ATOM 0 H VAL A 23 -1.880 -16.570 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.762 -14.059 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.712 -16.352 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.815 -15.492 -6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.415 -14.307 -5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.794 -14.114 -5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.068 -17.092 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.965 -15.796 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.384 -17.111 -4.024 1.00 0.00 H new ATOM 354 N GLU A 24 -4.621 -14.620 -1.889 1.00 0.00 N ATOM 355 CA GLU A 24 -5.855 -14.004 -1.398 1.00 0.00 C ATOM 356 C GLU A 24 -5.501 -12.803 -0.514 1.00 0.00 C ATOM 357 O GLU A 24 -5.909 -11.666 -0.791 1.00 0.00 O ATOM 358 CB GLU A 24 -6.662 -15.047 -0.587 1.00 0.00 C ATOM 359 CG GLU A 24 -8.178 -14.807 -0.468 1.00 0.00 C ATOM 360 CD GLU A 24 -8.575 -13.485 0.142 1.00 0.00 C ATOM 361 OE1 GLU A 24 -9.176 -12.642 -0.577 1.00 0.00 O ATOM 362 OE2 GLU A 24 -8.315 -13.268 1.327 1.00 0.00 O ATOM 0 H GLU A 24 -4.509 -15.595 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.461 -13.663 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.507 -16.026 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.245 -15.093 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.620 -14.877 -1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.610 -15.609 0.130 1.00 0.00 H new ATOM 369 N ARG A 25 -4.686 -13.056 0.501 1.00 0.00 N ATOM 370 CA ARG A 25 -4.306 -12.038 1.469 1.00 0.00 C ATOM 371 C ARG A 25 -3.388 -10.987 0.873 1.00 0.00 C ATOM 372 O ARG A 25 -3.404 -9.833 1.298 1.00 0.00 O ATOM 373 CB ARG A 25 -3.673 -12.653 2.702 1.00 0.00 C ATOM 374 CG ARG A 25 -4.615 -13.509 3.521 1.00 0.00 C ATOM 375 CD ARG A 25 -3.914 -14.046 4.740 1.00 0.00 C ATOM 376 NE ARG A 25 -4.770 -14.889 5.577 1.00 0.00 N ATOM 377 CZ ARG A 25 -4.597 -15.054 6.893 1.00 0.00 C ATOM 378 NH1 ARG A 25 -3.808 -14.225 7.566 1.00 0.00 N ATOM 379 NH2 ARG A 25 -5.270 -15.999 7.548 1.00 0.00 N ATOM 0 H ARG A 25 -4.271 -13.971 0.676 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.228 -11.538 1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.822 -13.261 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.284 -11.855 3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.482 -12.921 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.986 -14.335 2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.044 -14.623 4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.545 -13.211 5.335 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.544 -15.380 5.130 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.335 -13.464 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.675 -14.349 8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.922 -16.602 7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.133 -16.120 8.552 1.00 0.00 H new ATOM 393 N GLN A 26 -2.600 -11.373 -0.104 1.00 0.00 N ATOM 394 CA GLN A 26 -1.720 -10.450 -0.788 1.00 0.00 C ATOM 395 C GLN A 26 -2.552 -9.450 -1.562 1.00 0.00 C ATOM 396 O GLN A 26 -2.360 -8.250 -1.433 1.00 0.00 O ATOM 397 CB GLN A 26 -0.801 -11.202 -1.724 1.00 0.00 C ATOM 398 CG GLN A 26 0.223 -10.354 -2.429 1.00 0.00 C ATOM 399 CD GLN A 26 1.072 -11.188 -3.335 1.00 0.00 C ATOM 400 OE1 GLN A 26 2.111 -11.705 -2.933 1.00 0.00 O ATOM 401 NE2 GLN A 26 0.628 -11.366 -4.534 1.00 0.00 N ATOM 0 H GLN A 26 -2.550 -12.332 -0.447 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.108 -9.922 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.282 -11.974 -1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.408 -11.710 -2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.277 -9.577 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.852 -9.851 -1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.240 -10.918 -4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.145 -11.955 -5.187 1.00 0.00 H new ATOM 410 N ARG A 27 -3.508 -9.961 -2.327 1.00 0.00 N ATOM 411 CA ARG A 27 -4.438 -9.138 -3.090 1.00 0.00 C ATOM 412 C ARG A 27 -5.257 -8.274 -2.140 1.00 0.00 C ATOM 413 O ARG A 27 -5.519 -7.092 -2.407 1.00 0.00 O ATOM 414 CB ARG A 27 -5.361 -10.041 -3.910 1.00 0.00 C ATOM 415 CG ARG A 27 -6.431 -9.311 -4.690 1.00 0.00 C ATOM 416 CD ARG A 27 -7.253 -10.278 -5.506 1.00 0.00 C ATOM 417 NE ARG A 27 -8.298 -9.598 -6.258 1.00 0.00 N ATOM 418 CZ ARG A 27 -8.679 -9.903 -7.497 1.00 0.00 C ATOM 419 NH1 ARG A 27 -8.089 -10.906 -8.163 1.00 0.00 N ATOM 420 NH2 ARG A 27 -9.653 -9.206 -8.067 1.00 0.00 N ATOM 0 H ARG A 27 -3.661 -10.964 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.882 -8.488 -3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.755 -10.620 -4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.842 -10.752 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.079 -8.765 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.969 -8.574 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.602 -10.818 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.704 -11.019 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.778 -8.824 -5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.342 -11.442 -7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.387 -11.133 -9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.102 -8.445 -7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.953 -9.431 -9.016 1.00 0.00 H new ATOM 434 N ARG A 28 -5.620 -8.881 -1.023 1.00 0.00 N ATOM 435 CA ARG A 28 -6.378 -8.245 0.027 1.00 0.00 C ATOM 436 C ARG A 28 -5.618 -7.026 0.531 1.00 0.00 C ATOM 437 O ARG A 28 -6.108 -5.897 0.424 1.00 0.00 O ATOM 438 CB ARG A 28 -6.606 -9.252 1.152 1.00 0.00 C ATOM 439 CG ARG A 28 -7.462 -8.781 2.294 1.00 0.00 C ATOM 440 CD ARG A 28 -7.625 -9.900 3.302 1.00 0.00 C ATOM 441 NE ARG A 28 -8.419 -9.493 4.449 1.00 0.00 N ATOM 442 CZ ARG A 28 -8.861 -10.313 5.404 1.00 0.00 C ATOM 443 NH1 ARG A 28 -8.603 -11.620 5.347 1.00 0.00 N ATOM 444 NH2 ARG A 28 -9.581 -9.822 6.404 1.00 0.00 N ATOM 0 H ARG A 28 -5.387 -9.853 -0.822 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.346 -7.914 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.063 -10.145 0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.635 -9.549 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.006 -7.913 2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.438 -8.466 1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.098 -10.755 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.642 -10.228 3.640 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.657 -8.504 4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.064 -12.000 4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.945 -12.240 6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.793 -8.825 6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.923 -10.442 7.138 1.00 0.00 H new ATOM 458 N CYS A 29 -4.405 -7.254 1.016 1.00 0.00 N ATOM 459 CA CYS A 29 -3.552 -6.189 1.495 1.00 0.00 C ATOM 460 C CYS A 29 -3.243 -5.184 0.414 1.00 0.00 C ATOM 461 O CYS A 29 -3.341 -4.005 0.650 1.00 0.00 O ATOM 462 CB CYS A 29 -2.250 -6.726 2.058 1.00 0.00 C ATOM 463 SG CYS A 29 -2.363 -7.529 3.680 1.00 0.00 S ATOM 0 H CYS A 29 -3.990 -8.183 1.086 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.108 -5.691 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.837 -7.442 1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.540 -5.902 2.130 1.00 0.00 H new ATOM 468 N GLN A 30 -2.902 -5.662 -0.778 1.00 0.00 N ATOM 469 CA GLN A 30 -2.530 -4.800 -1.891 1.00 0.00 C ATOM 470 C GLN A 30 -3.610 -3.773 -2.175 1.00 0.00 C ATOM 471 O GLN A 30 -3.317 -2.583 -2.266 1.00 0.00 O ATOM 472 CB GLN A 30 -2.215 -5.632 -3.132 1.00 0.00 C ATOM 473 CG GLN A 30 -1.759 -4.832 -4.337 1.00 0.00 C ATOM 474 CD GLN A 30 -1.340 -5.726 -5.481 1.00 0.00 C ATOM 475 OE1 GLN A 30 -0.855 -6.845 -5.268 1.00 0.00 O ATOM 476 NE2 GLN A 30 -1.529 -5.271 -6.687 1.00 0.00 N ATOM 0 H GLN A 30 -2.876 -6.658 -0.998 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.628 -4.255 -1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.440 -6.355 -2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.104 -6.200 -3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.566 -4.177 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.924 -4.191 -4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.931 -4.344 -6.825 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.275 -5.842 -7.493 1.00 0.00 H new ATOM 485 N GLN A 31 -4.855 -4.227 -2.241 1.00 0.00 N ATOM 486 CA GLN A 31 -5.976 -3.343 -2.500 1.00 0.00 C ATOM 487 C GLN A 31 -6.159 -2.346 -1.351 1.00 0.00 C ATOM 488 O GLN A 31 -6.426 -1.158 -1.583 1.00 0.00 O ATOM 489 CB GLN A 31 -7.257 -4.143 -2.729 1.00 0.00 C ATOM 490 CG GLN A 31 -8.450 -3.276 -3.094 1.00 0.00 C ATOM 491 CD GLN A 31 -9.711 -4.062 -3.382 1.00 0.00 C ATOM 492 OE1 GLN A 31 -10.529 -3.643 -4.202 1.00 0.00 O ATOM 493 NE2 GLN A 31 -9.908 -5.155 -2.706 1.00 0.00 N ATOM 0 H GLN A 31 -5.111 -5.207 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.760 -2.780 -3.408 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.087 -4.868 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.490 -4.708 -1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.645 -2.580 -2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.198 -2.678 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.209 -5.473 -2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.762 -5.695 -2.847 1.00 0.00 H new ATOM 502 N VAL A 32 -5.979 -2.819 -0.122 1.00 0.00 N ATOM 503 CA VAL A 32 -6.101 -1.964 1.056 1.00 0.00 C ATOM 504 C VAL A 32 -4.973 -0.929 1.082 1.00 0.00 C ATOM 505 O VAL A 32 -5.222 0.255 1.261 1.00 0.00 O ATOM 506 CB VAL A 32 -6.113 -2.780 2.387 1.00 0.00 C ATOM 507 CG1 VAL A 32 -6.178 -1.855 3.603 1.00 0.00 C ATOM 508 CG2 VAL A 32 -7.294 -3.733 2.412 1.00 0.00 C ATOM 0 H VAL A 32 -5.748 -3.791 0.085 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.061 -1.454 0.982 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.185 -3.350 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.185 -2.452 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.309 -1.197 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.087 -1.255 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.289 -4.295 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.221 -3.165 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.221 -4.424 1.572 1.00 0.00 H new ATOM 518 N CYS A 33 -3.751 -1.377 0.854 1.00 0.00 N ATOM 519 CA CYS A 33 -2.584 -0.500 0.846 1.00 0.00 C ATOM 520 C CYS A 33 -2.693 0.524 -0.285 1.00 0.00 C ATOM 521 O CYS A 33 -2.276 1.660 -0.138 1.00 0.00 O ATOM 522 CB CYS A 33 -1.284 -1.312 0.714 1.00 0.00 C ATOM 523 SG CYS A 33 -1.038 -2.580 2.021 1.00 0.00 S ATOM 0 H CYS A 33 -3.535 -2.357 0.669 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.554 0.032 1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.276 -1.805 -0.258 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.438 -0.624 0.730 1.00 0.00 H new ATOM 528 N GLU A 34 -3.294 0.107 -1.389 1.00 0.00 N ATOM 529 CA GLU A 34 -3.527 0.968 -2.537 1.00 0.00 C ATOM 530 C GLU A 34 -4.532 2.059 -2.166 1.00 0.00 C ATOM 531 O GLU A 34 -4.342 3.243 -2.482 1.00 0.00 O ATOM 532 CB GLU A 34 -4.069 0.126 -3.685 1.00 0.00 C ATOM 533 CG GLU A 34 -4.349 0.889 -4.948 1.00 0.00 C ATOM 534 CD GLU A 34 -4.942 0.014 -6.004 1.00 0.00 C ATOM 535 OE1 GLU A 34 -4.213 -0.412 -6.923 1.00 0.00 O ATOM 536 OE2 GLU A 34 -6.148 -0.284 -5.926 1.00 0.00 O ATOM 0 H GLU A 34 -3.636 -0.846 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.593 1.440 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.353 -0.665 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.989 -0.359 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.031 1.712 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.424 1.331 -5.319 1.00 0.00 H new ATOM 543 N LYS A 35 -5.577 1.651 -1.472 1.00 0.00 N ATOM 544 CA LYS A 35 -6.615 2.555 -1.012 1.00 0.00 C ATOM 545 C LYS A 35 -6.025 3.529 0.005 1.00 0.00 C ATOM 546 O LYS A 35 -6.311 4.737 -0.032 1.00 0.00 O ATOM 547 CB LYS A 35 -7.756 1.745 -0.400 1.00 0.00 C ATOM 548 CG LYS A 35 -8.977 2.555 0.013 1.00 0.00 C ATOM 549 CD LYS A 35 -10.072 1.661 0.589 1.00 0.00 C ATOM 550 CE LYS A 35 -10.540 0.617 -0.425 1.00 0.00 C ATOM 551 NZ LYS A 35 -11.620 -0.240 0.102 1.00 0.00 N ATOM 0 H LYS A 35 -5.731 0.677 -1.210 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.011 3.130 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.069 0.987 -1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.377 1.217 0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.687 3.300 0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.364 3.097 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.700 1.160 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.919 2.275 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.888 1.121 -1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.695 -0.007 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.901 -0.930 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.282 -0.744 0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.439 0.349 0.355 1.00 0.00 H new ATOM 565 N ARG A 36 -5.174 2.994 0.888 1.00 0.00 N ATOM 566 CA ARG A 36 -4.460 3.787 1.878 1.00 0.00 C ATOM 567 C ARG A 36 -3.553 4.788 1.200 1.00 0.00 C ATOM 568 O ARG A 36 -3.486 5.922 1.610 1.00 0.00 O ATOM 569 CB ARG A 36 -3.633 2.914 2.826 1.00 0.00 C ATOM 570 CG ARG A 36 -4.450 2.052 3.772 1.00 0.00 C ATOM 571 CD ARG A 36 -3.552 1.198 4.654 1.00 0.00 C ATOM 572 NE ARG A 36 -2.641 1.998 5.502 1.00 0.00 N ATOM 573 CZ ARG A 36 -1.646 1.490 6.264 1.00 0.00 C ATOM 574 NH1 ARG A 36 -1.407 0.173 6.264 1.00 0.00 N ATOM 575 NH2 ARG A 36 -0.897 2.301 7.016 1.00 0.00 N ATOM 0 H ARG A 36 -4.965 1.997 0.931 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.212 4.311 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.988 2.266 2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.981 3.559 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.078 2.688 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.117 1.409 3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.172 0.568 5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.962 0.532 4.025 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.773 3.009 5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.976 -0.449 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.656 -0.209 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.075 3.305 7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.147 1.916 7.590 1.00 0.00 H new ATOM 589 N LEU A 37 -2.870 4.351 0.157 1.00 0.00 N ATOM 590 CA LEU A 37 -1.976 5.200 -0.628 1.00 0.00 C ATOM 591 C LEU A 37 -2.755 6.348 -1.270 1.00 0.00 C ATOM 592 O LEU A 37 -2.324 7.509 -1.231 1.00 0.00 O ATOM 593 CB LEU A 37 -1.227 4.325 -1.684 1.00 0.00 C ATOM 594 CG LEU A 37 -0.237 4.998 -2.681 1.00 0.00 C ATOM 595 CD1 LEU A 37 -0.953 5.713 -3.816 1.00 0.00 C ATOM 596 CD2 LEU A 37 0.700 5.953 -1.956 1.00 0.00 C ATOM 0 H LEU A 37 -2.917 3.388 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.228 5.654 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.672 3.561 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.984 3.809 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 37 0.353 4.197 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.218 6.165 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.557 4.997 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.598 6.490 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.381 6.410 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.117 6.731 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.274 5.403 -1.210 1.00 0.00 H new ATOM 608 N ARG A 38 -3.911 6.023 -1.809 1.00 0.00 N ATOM 609 CA ARG A 38 -4.746 6.990 -2.488 1.00 0.00 C ATOM 610 C ARG A 38 -5.156 8.119 -1.537 1.00 0.00 C ATOM 611 O ARG A 38 -5.097 9.290 -1.891 1.00 0.00 O ATOM 612 CB ARG A 38 -5.967 6.296 -3.073 1.00 0.00 C ATOM 613 CG ARG A 38 -6.786 7.151 -4.015 1.00 0.00 C ATOM 614 CD ARG A 38 -7.935 6.356 -4.585 1.00 0.00 C ATOM 615 NE ARG A 38 -8.636 7.081 -5.638 1.00 0.00 N ATOM 616 CZ ARG A 38 -9.466 6.522 -6.523 1.00 0.00 C ATOM 617 NH1 ARG A 38 -9.796 5.232 -6.426 1.00 0.00 N ATOM 618 NH2 ARG A 38 -9.968 7.252 -7.501 1.00 0.00 N ATOM 0 H ARG A 38 -4.298 5.080 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.177 7.438 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.641 5.402 -3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.607 5.964 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.167 8.024 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.154 7.520 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.560 5.413 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.636 6.110 -3.787 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.482 8.087 -5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.414 4.663 -5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.431 4.815 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.722 8.239 -7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.602 6.829 -8.179 1.00 0.00 H new ATOM 632 N GLU A 39 -5.525 7.768 -0.317 1.00 0.00 N ATOM 633 CA GLU A 39 -5.887 8.780 0.668 1.00 0.00 C ATOM 634 C GLU A 39 -4.645 9.409 1.316 1.00 0.00 C ATOM 635 O GLU A 39 -4.694 10.555 1.766 1.00 0.00 O ATOM 636 CB GLU A 39 -6.844 8.234 1.731 1.00 0.00 C ATOM 637 CG GLU A 39 -6.384 6.957 2.392 1.00 0.00 C ATOM 638 CD GLU A 39 -7.193 6.609 3.603 1.00 0.00 C ATOM 639 OE1 GLU A 39 -6.662 6.739 4.726 1.00 0.00 O ATOM 640 OE2 GLU A 39 -8.379 6.233 3.464 1.00 0.00 O ATOM 0 H GLU A 39 -5.582 6.805 0.015 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.416 9.565 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.986 8.995 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.817 8.060 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.443 6.139 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.336 7.057 2.676 1.00 0.00 H new ATOM 647 N ARG A 40 -3.548 8.645 1.340 1.00 0.00 N ATOM 648 CA ARG A 40 -2.253 9.076 1.890 1.00 0.00 C ATOM 649 C ARG A 40 -1.805 10.317 1.169 1.00 0.00 C ATOM 650 O ARG A 40 -1.598 11.362 1.784 1.00 0.00 O ATOM 651 CB ARG A 40 -1.205 7.960 1.681 1.00 0.00 C ATOM 652 CG ARG A 40 0.180 8.200 2.277 1.00 0.00 C ATOM 653 CD ARG A 40 0.131 8.272 3.787 1.00 0.00 C ATOM 654 NE ARG A 40 1.468 8.225 4.384 1.00 0.00 N ATOM 655 CZ ARG A 40 1.705 8.074 5.690 1.00 0.00 C ATOM 656 NH1 ARG A 40 0.694 8.062 6.547 1.00 0.00 N ATOM 657 NH2 ARG A 40 2.949 7.948 6.139 1.00 0.00 N ATOM 0 H ARG A 40 -3.532 7.694 0.972 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.357 9.281 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.602 7.037 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.091 7.797 0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.852 7.398 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.591 9.128 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.369 9.192 4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.466 7.444 4.170 1.00 0.00 H new ATOM 0 HE ARG A 40 2.271 8.313 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.262 8.168 6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.872 7.947 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.732 7.966 5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.122 7.833 7.138 1.00 0.00 H new ATOM 671 N GLU A 41 -1.688 10.202 -0.142 1.00 0.00 N ATOM 672 CA GLU A 41 -1.286 11.319 -0.957 1.00 0.00 C ATOM 673 C GLU A 41 -2.433 12.279 -1.108 1.00 0.00 C ATOM 674 O GLU A 41 -2.247 13.476 -1.003 1.00 0.00 O ATOM 675 CB GLU A 41 -0.817 10.874 -2.335 1.00 0.00 C ATOM 676 CG GLU A 41 0.346 9.910 -2.325 1.00 0.00 C ATOM 677 CD GLU A 41 0.876 9.656 -3.711 1.00 0.00 C ATOM 678 OE1 GLU A 41 0.306 8.820 -4.444 1.00 0.00 O ATOM 679 OE2 GLU A 41 1.876 10.288 -4.105 1.00 0.00 O ATOM 0 H GLU A 41 -1.868 9.342 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.450 11.808 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.653 10.408 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.535 11.756 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.144 10.310 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.032 8.967 -1.878 1.00 0.00 H new ATOM 686 N GLY A 42 -3.640 11.725 -1.278 1.00 0.00 N ATOM 687 CA GLY A 42 -4.858 12.507 -1.525 1.00 0.00 C ATOM 688 C GLY A 42 -5.200 13.500 -0.432 1.00 0.00 C ATOM 689 O GLY A 42 -6.004 14.407 -0.644 1.00 0.00 O ATOM 0 H GLY A 42 -3.800 10.718 -1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.744 13.046 -2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.696 11.821 -1.650 1.00 0.00 H new ATOM 693 N ARG A 43 -4.615 13.312 0.741 1.00 0.00 N ATOM 694 CA ARG A 43 -4.784 14.237 1.846 1.00 0.00 C ATOM 695 C ARG A 43 -4.139 15.582 1.489 1.00 0.00 C ATOM 696 O ARG A 43 -4.603 16.645 1.904 1.00 0.00 O ATOM 697 CB ARG A 43 -4.145 13.661 3.126 1.00 0.00 C ATOM 698 CG ARG A 43 -4.295 14.555 4.347 1.00 0.00 C ATOM 699 CD ARG A 43 -3.662 13.949 5.584 1.00 0.00 C ATOM 700 NE ARG A 43 -3.782 14.848 6.744 1.00 0.00 N ATOM 701 CZ ARG A 43 -3.404 14.548 8.005 1.00 0.00 C ATOM 702 NH1 ARG A 43 -2.934 13.341 8.303 1.00 0.00 N ATOM 703 NH2 ARG A 43 -3.512 15.462 8.965 1.00 0.00 N ATOM 0 H ARG A 43 -4.012 12.516 0.951 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.848 14.387 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.595 12.692 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.085 13.487 2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.837 15.523 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.353 14.736 4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.140 12.996 5.809 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.610 13.740 5.391 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.183 15.772 6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.856 12.630 7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.651 13.126 9.259 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.880 16.388 8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.227 15.237 9.918 1.00 0.00 H new ATOM 717 N ARG A 44 -3.089 15.521 0.696 1.00 0.00 N ATOM 718 CA ARG A 44 -2.369 16.703 0.288 1.00 0.00 C ATOM 719 C ARG A 44 -2.591 16.959 -1.203 1.00 0.00 C ATOM 720 O ARG A 44 -2.986 18.055 -1.607 1.00 0.00 O ATOM 721 CB ARG A 44 -0.878 16.530 0.561 1.00 0.00 C ATOM 722 CG ARG A 44 -0.075 17.791 0.324 1.00 0.00 C ATOM 723 CD ARG A 44 1.408 17.547 0.466 1.00 0.00 C ATOM 724 NE ARG A 44 1.929 16.679 -0.599 1.00 0.00 N ATOM 725 CZ ARG A 44 3.128 16.083 -0.593 1.00 0.00 C ATOM 726 NH1 ARG A 44 3.972 16.278 0.420 1.00 0.00 N ATOM 727 NH2 ARG A 44 3.484 15.307 -1.610 1.00 0.00 N ATOM 0 H ARG A 44 -2.714 14.651 0.318 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.740 17.554 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.740 16.208 1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.489 15.735 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.286 18.174 -0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.386 18.559 1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.936 18.501 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.609 17.091 1.436 1.00 0.00 H new ATOM 0 HE ARG A 44 1.329 16.517 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.706 16.884 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.884 15.821 0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.845 15.167 -2.392 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.397 14.851 -1.609 1.00 0.00 H new ATOM 741 N GLU A 45 -2.349 15.937 -2.000 1.00 0.00 N ATOM 742 CA GLU A 45 -2.465 16.018 -3.432 1.00 0.00 C ATOM 743 C GLU A 45 -3.923 15.876 -3.802 1.00 0.00 C ATOM 744 O GLU A 45 -4.491 14.787 -3.722 1.00 0.00 O ATOM 745 CB GLU A 45 -1.666 14.890 -4.108 1.00 0.00 C ATOM 746 CG GLU A 45 -0.216 14.758 -3.654 1.00 0.00 C ATOM 747 CD GLU A 45 0.621 15.986 -3.900 1.00 0.00 C ATOM 748 OE1 GLU A 45 0.715 16.843 -3.001 1.00 0.00 O ATOM 749 OE2 GLU A 45 1.242 16.100 -4.971 1.00 0.00 O ATOM 0 H GLU A 45 -2.063 15.018 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.069 16.976 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.175 13.944 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.679 15.053 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.200 14.528 -2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.239 13.912 -4.169 1.00 0.00 H new ATOM 756 N VAL A 46 -4.537 16.962 -4.143 1.00 0.00 N ATOM 757 CA VAL A 46 -5.919 16.951 -4.529 1.00 0.00 C ATOM 758 C VAL A 46 -5.991 16.943 -6.044 1.00 0.00 C ATOM 759 O VAL A 46 -5.755 17.968 -6.698 1.00 0.00 O ATOM 760 CB VAL A 46 -6.686 18.179 -3.954 1.00 0.00 C ATOM 761 CG1 VAL A 46 -8.165 18.123 -4.316 1.00 0.00 C ATOM 762 CG2 VAL A 46 -6.514 18.262 -2.440 1.00 0.00 C ATOM 0 H VAL A 46 -4.099 17.883 -4.163 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.396 16.059 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.260 19.076 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.674 18.993 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.274 18.121 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.606 17.215 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.058 19.127 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.906 17.355 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.456 18.364 -2.199 1.00 0.00 H new ATOM 772 N ASP A 47 -6.233 15.791 -6.599 1.00 0.00 N ATOM 773 CA ASP A 47 -6.314 15.627 -8.022 1.00 0.00 C ATOM 774 C ASP A 47 -7.657 15.043 -8.379 1.00 0.00 C ATOM 775 O ASP A 47 -7.981 13.925 -7.951 1.00 0.00 O ATOM 776 CB ASP A 47 -5.125 14.804 -8.616 1.00 0.00 C ATOM 777 CG ASP A 47 -5.100 13.318 -8.276 1.00 0.00 C ATOM 778 OD1 ASP A 47 -4.782 12.946 -7.123 1.00 0.00 O ATOM 779 OD2 ASP A 47 -5.331 12.482 -9.192 1.00 0.00 O ATOM 780 OXT ASP A 47 -8.434 15.718 -9.059 1.00 0.00 O ATOM 0 H ASP A 47 -6.381 14.931 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.223 16.610 -8.483 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.145 14.907 -9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.193 15.250 -8.270 1.00 0.00 H new TER 785 ASP A 47