USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 371 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 18 CYS SG : rot 20:sc= 1.42 USER MOD Set 1.2: A 21 CYS SG : rot -51:sc= 0.613 USER MOD Set 1.3: A 44 CYS SG : rot -76:sc= -0.153 USER MOD Set 1.4: A 47 CYS SG : rot 137:sc= 0.258 USER MOD Set 2.1: A 3 CYS SG : rot -166:sc= 0.31 USER MOD Set 2.2: A 6 CYS SG : rot -53:sc= 0.252 USER MOD Set 2.3: A 26 HIS : no HD1:sc= -0.465 K(o=-0.16,f=-2.1) USER MOD Set 2.4: A 29 CYS SG : rot 113:sc= -0.254 USER MOD Single : A 1 ALA N :NH3+ -124:sc= 0.116 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.017) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 1.36 (180deg=1.33) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= 2.19 (180deg=1.73) USER MOD Single : A 22 ASN : amide:sc= -0.0601 X(o=-0.06,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 0.874 (180deg=0.87) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : A 48 GLN : amide:sc=-0.00415 X(o=-0.0042,f=-0.0042) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.655 11.780 -8.411 1.00 0.00 N ATOM 2 CA ALA A 1 4.520 10.339 -8.690 1.00 0.00 C ATOM 3 C ALA A 1 4.336 9.554 -7.390 1.00 0.00 C ATOM 4 O ALA A 1 4.490 10.116 -6.307 1.00 0.00 O ATOM 5 CB ALA A 1 5.726 9.827 -9.484 1.00 0.00 C ATOM 0 H1 ALA A 1 3.933 12.306 -8.943 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.527 11.950 -7.393 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.601 12.102 -8.700 1.00 0.00 H new ATOM 0 HA ALA A 1 3.630 10.186 -9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.607 8.761 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.794 10.364 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.637 9.991 -8.908 1.00 0.00 H new ATOM 13 N ARG A 2 3.990 8.264 -7.504 1.00 0.00 N ATOM 14 CA ARG A 2 3.672 7.401 -6.374 1.00 0.00 C ATOM 15 C ARG A 2 4.657 6.235 -6.309 1.00 0.00 C ATOM 16 O ARG A 2 4.918 5.567 -7.308 1.00 0.00 O ATOM 17 CB ARG A 2 2.228 6.892 -6.481 1.00 0.00 C ATOM 18 CG ARG A 2 1.176 7.992 -6.262 1.00 0.00 C ATOM 19 CD ARG A 2 0.785 8.206 -4.792 1.00 0.00 C ATOM 20 NE ARG A 2 1.850 8.825 -3.984 1.00 0.00 N ATOM 21 CZ ARG A 2 2.588 8.213 -3.042 1.00 0.00 C ATOM 22 NH1 ARG A 2 2.592 6.880 -2.909 1.00 0.00 N ATOM 23 NH2 ARG A 2 3.336 8.959 -2.223 1.00 0.00 N ATOM 0 H ARG A 2 3.924 7.789 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 2 3.761 7.977 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.079 6.448 -7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.074 6.101 -5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.558 8.930 -6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.281 7.742 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.104 8.835 -4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.518 7.245 -4.352 1.00 0.00 H new ATOM 0 HE ARG A 2 2.046 9.811 -4.156 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.026 6.304 -3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 2 3.162 6.441 -2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.340 9.974 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.903 8.513 -1.502 1.00 0.00 H new ATOM 37 N CYS A 3 5.179 5.999 -5.102 1.00 0.00 N ATOM 38 CA CYS A 3 5.989 4.850 -4.732 1.00 0.00 C ATOM 39 C CYS A 3 5.134 3.585 -4.709 1.00 0.00 C ATOM 40 O CYS A 3 3.975 3.627 -4.300 1.00 0.00 O ATOM 41 CB CYS A 3 6.555 5.135 -3.342 1.00 0.00 C ATOM 42 SG CYS A 3 7.291 3.749 -2.443 1.00 0.00 S ATOM 0 H CYS A 3 5.037 6.641 -4.322 1.00 0.00 H new ATOM 0 HA CYS A 3 6.791 4.690 -5.452 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.312 5.913 -3.440 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.753 5.546 -2.729 1.00 0.00 H new ATOM 0 HG CYS A 3 7.460 4.080 -1.197 1.00 0.00 H new ATOM 47 N LYS A 4 5.720 2.461 -5.132 1.00 0.00 N ATOM 48 CA LYS A 4 5.049 1.174 -5.205 1.00 0.00 C ATOM 49 C LYS A 4 4.766 0.614 -3.809 1.00 0.00 C ATOM 50 O LYS A 4 3.685 0.075 -3.573 1.00 0.00 O ATOM 51 CB LYS A 4 5.904 0.207 -6.034 1.00 0.00 C ATOM 52 CG LYS A 4 6.107 0.662 -7.489 1.00 0.00 C ATOM 53 CD LYS A 4 4.822 0.548 -8.322 1.00 0.00 C ATOM 54 CE LYS A 4 5.044 0.980 -9.777 1.00 0.00 C ATOM 55 NZ LYS A 4 5.265 2.433 -9.897 1.00 0.00 N ATOM 0 H LYS A 4 6.693 2.427 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 4 4.083 1.302 -5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.878 0.095 -5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.433 -0.776 -6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.453 1.696 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.890 0.060 -7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.465 -0.482 -8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.043 1.166 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.903 0.448 -10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.179 0.695 -10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.360 2.688 -10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.457 2.942 -9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.134 2.695 -9.390 1.00 0.00 H new ATOM 69 N VAL A 5 5.732 0.744 -2.892 1.00 0.00 N ATOM 70 CA VAL A 5 5.688 0.139 -1.566 1.00 0.00 C ATOM 71 C VAL A 5 4.508 0.700 -0.767 1.00 0.00 C ATOM 72 O VAL A 5 3.566 -0.033 -0.473 1.00 0.00 O ATOM 73 CB VAL A 5 7.024 0.335 -0.825 1.00 0.00 C ATOM 74 CG1 VAL A 5 6.988 -0.339 0.554 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.199 -0.243 -1.620 1.00 0.00 C ATOM 0 H VAL A 5 6.581 1.284 -3.059 1.00 0.00 H new ATOM 0 HA VAL A 5 5.538 -0.935 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 5 7.165 1.410 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.942 -0.187 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.188 0.098 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.808 -1.407 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.125 -0.086 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.044 -1.311 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.265 0.257 -2.587 1.00 0.00 H new ATOM 85 N CYS A 6 4.562 1.991 -0.413 1.00 0.00 N ATOM 86 CA CYS A 6 3.521 2.623 0.386 1.00 0.00 C ATOM 87 C CYS A 6 2.242 2.823 -0.430 1.00 0.00 C ATOM 88 O CYS A 6 1.159 2.547 0.079 1.00 0.00 O ATOM 89 CB CYS A 6 4.013 3.927 1.029 1.00 0.00 C ATOM 90 SG CYS A 6 4.709 5.196 -0.062 1.00 0.00 S ATOM 0 H CYS A 6 5.325 2.616 -0.673 1.00 0.00 H new ATOM 0 HA CYS A 6 3.274 1.948 1.205 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.176 4.371 1.568 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.770 3.670 1.770 1.00 0.00 H new ATOM 0 HG CYS A 6 5.645 4.671 -0.796 1.00 0.00 H new ATOM 95 N ARG A 7 2.372 3.282 -1.685 1.00 0.00 N ATOM 96 CA ARG A 7 1.275 3.537 -2.621 1.00 0.00 C ATOM 97 C ARG A 7 0.066 4.229 -1.975 1.00 0.00 C ATOM 98 O ARG A 7 -1.080 3.876 -2.245 1.00 0.00 O ATOM 99 CB ARG A 7 0.931 2.274 -3.431 1.00 0.00 C ATOM 100 CG ARG A 7 0.550 1.054 -2.584 1.00 0.00 C ATOM 101 CD ARG A 7 0.197 -0.129 -3.490 1.00 0.00 C ATOM 102 NE ARG A 7 -0.096 -1.337 -2.705 1.00 0.00 N ATOM 103 CZ ARG A 7 0.819 -2.157 -2.158 1.00 0.00 C ATOM 104 NH1 ARG A 7 2.132 -1.928 -2.295 1.00 0.00 N ATOM 105 NH2 ARG A 7 0.409 -3.226 -1.461 1.00 0.00 N ATOM 0 H ARG A 7 3.285 3.493 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 7 1.629 4.273 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.105 2.504 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.787 2.014 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.378 0.785 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.298 1.297 -1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.667 0.126 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.025 -0.328 -4.171 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.078 -1.574 -2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.456 -1.118 -2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.808 -2.564 -1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.588 -3.411 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.094 -3.855 -1.042 1.00 0.00 H new ATOM 119 N LYS A 8 0.344 5.234 -1.136 1.00 0.00 N ATOM 120 CA LYS A 8 -0.620 6.168 -0.575 1.00 0.00 C ATOM 121 C LYS A 8 0.041 7.546 -0.548 1.00 0.00 C ATOM 122 O LYS A 8 1.249 7.643 -0.332 1.00 0.00 O ATOM 123 CB LYS A 8 -1.008 5.755 0.853 1.00 0.00 C ATOM 124 CG LYS A 8 -1.765 4.423 0.962 1.00 0.00 C ATOM 125 CD LYS A 8 -3.173 4.493 0.357 1.00 0.00 C ATOM 126 CE LYS A 8 -3.905 3.167 0.579 1.00 0.00 C ATOM 127 NZ LYS A 8 -5.259 3.193 -0.002 1.00 0.00 N ATOM 0 H LYS A 8 1.295 5.421 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.527 6.178 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.102 5.691 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.624 6.542 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.195 3.643 0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.838 4.136 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.734 5.308 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.109 4.708 -0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.332 2.355 0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.970 2.961 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.727 2.279 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.813 3.953 0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.194 3.365 -1.026 1.00 0.00 H new ATOM 141 N LYS A 9 -0.746 8.608 -0.760 1.00 0.00 N ATOM 142 CA LYS A 9 -0.237 9.970 -0.807 1.00 0.00 C ATOM 143 C LYS A 9 0.210 10.379 0.597 1.00 0.00 C ATOM 144 O LYS A 9 -0.507 10.147 1.569 1.00 0.00 O ATOM 145 CB LYS A 9 -1.322 10.903 -1.370 1.00 0.00 C ATOM 146 CG LYS A 9 -0.815 12.327 -1.652 1.00 0.00 C ATOM 147 CD LYS A 9 -0.945 13.278 -0.449 1.00 0.00 C ATOM 148 CE LYS A 9 -0.168 14.581 -0.672 1.00 0.00 C ATOM 149 NZ LYS A 9 1.290 14.389 -0.556 1.00 0.00 N ATOM 0 H LYS A 9 -1.754 8.539 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 9 0.627 10.040 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.715 10.476 -2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.150 10.953 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.231 12.278 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.370 12.741 -2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.997 13.506 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.575 12.782 0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.403 14.977 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.494 15.325 0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.778 15.271 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.530 14.134 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.592 13.627 -1.196 1.00 0.00 H new ATOM 163 N GLY A 10 1.401 10.976 0.699 1.00 0.00 N ATOM 164 CA GLY A 10 1.977 11.376 1.970 1.00 0.00 C ATOM 165 C GLY A 10 3.256 12.163 1.716 1.00 0.00 C ATOM 166 O GLY A 10 3.189 13.332 1.335 1.00 0.00 O ATOM 0 H GLY A 10 1.989 11.193 -0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.266 11.985 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.192 10.497 2.578 1.00 0.00 H new ATOM 170 N GLU A 11 4.412 11.517 1.907 1.00 0.00 N ATOM 171 CA GLU A 11 5.720 12.123 1.709 1.00 0.00 C ATOM 172 C GLU A 11 6.094 12.065 0.226 1.00 0.00 C ATOM 173 O GLU A 11 7.033 11.370 -0.155 1.00 0.00 O ATOM 174 CB GLU A 11 6.769 11.406 2.569 1.00 0.00 C ATOM 175 CG GLU A 11 6.440 11.407 4.064 1.00 0.00 C ATOM 176 CD GLU A 11 7.550 10.710 4.847 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.588 9.462 4.784 1.00 0.00 O ATOM 178 OE2 GLU A 11 8.342 11.437 5.484 1.00 0.00 O ATOM 0 H GLU A 11 4.458 10.544 2.208 1.00 0.00 H new ATOM 0 HA GLU A 11 5.687 13.168 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.864 10.375 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.738 11.883 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.323 12.431 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.490 10.900 4.235 1.00 0.00 H new ATOM 185 N ASP A 12 5.367 12.810 -0.614 1.00 0.00 N ATOM 186 CA ASP A 12 5.645 12.927 -2.041 1.00 0.00 C ATOM 187 C ASP A 12 6.787 13.927 -2.256 1.00 0.00 C ATOM 188 O ASP A 12 6.614 14.959 -2.903 1.00 0.00 O ATOM 189 CB ASP A 12 4.362 13.310 -2.790 1.00 0.00 C ATOM 190 CG ASP A 12 3.291 12.233 -2.647 1.00 0.00 C ATOM 191 OD1 ASP A 12 2.659 12.190 -1.569 1.00 0.00 O ATOM 192 OD2 ASP A 12 3.129 11.439 -3.598 1.00 0.00 O ATOM 0 H ASP A 12 4.559 13.354 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 12 5.973 11.971 -2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.982 14.256 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.587 13.463 -3.845 1.00 0.00 H new ATOM 197 N ASP A 13 7.958 13.598 -1.699 1.00 0.00 N ATOM 198 CA ASP A 13 9.114 14.471 -1.585 1.00 0.00 C ATOM 199 C ASP A 13 10.031 14.259 -2.788 1.00 0.00 C ATOM 200 O ASP A 13 10.132 15.124 -3.656 1.00 0.00 O ATOM 201 CB ASP A 13 9.818 14.176 -0.251 1.00 0.00 C ATOM 202 CG ASP A 13 11.167 14.877 -0.126 1.00 0.00 C ATOM 203 OD1 ASP A 13 11.188 16.119 -0.257 1.00 0.00 O ATOM 204 OD2 ASP A 13 12.165 14.152 0.080 1.00 0.00 O ATOM 0 H ASP A 13 8.125 12.674 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 13 8.818 15.520 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.174 14.488 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.962 13.100 -0.152 1.00 0.00 H new ATOM 209 N LYS A 14 10.699 13.103 -2.820 1.00 0.00 N ATOM 210 CA LYS A 14 11.705 12.744 -3.804 1.00 0.00 C ATOM 211 C LYS A 14 11.556 11.256 -4.109 1.00 0.00 C ATOM 212 O LYS A 14 12.191 10.413 -3.476 1.00 0.00 O ATOM 213 CB LYS A 14 13.111 13.095 -3.298 1.00 0.00 C ATOM 214 CG LYS A 14 13.312 14.615 -3.204 1.00 0.00 C ATOM 215 CD LYS A 14 14.782 15.006 -3.017 1.00 0.00 C ATOM 216 CE LYS A 14 15.435 14.432 -1.754 1.00 0.00 C ATOM 217 NZ LYS A 14 14.798 14.900 -0.510 1.00 0.00 N ATOM 0 H LYS A 14 10.542 12.367 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 14 11.562 13.312 -4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.269 12.645 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.857 12.669 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.927 15.085 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.728 15.004 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.347 14.672 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.855 16.093 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.389 13.344 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.490 14.707 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.448 14.756 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.573 15.912 -0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.923 14.363 -0.345 1.00 0.00 H new ATOM 231 N LEU A 15 10.700 10.949 -5.088 1.00 0.00 N ATOM 232 CA LEU A 15 10.486 9.599 -5.583 1.00 0.00 C ATOM 233 C LEU A 15 11.738 9.149 -6.338 1.00 0.00 C ATOM 234 O LEU A 15 12.128 9.776 -7.322 1.00 0.00 O ATOM 235 CB LEU A 15 9.261 9.560 -6.513 1.00 0.00 C ATOM 236 CG LEU A 15 7.887 9.592 -5.817 1.00 0.00 C ATOM 237 CD1 LEU A 15 7.597 8.289 -5.065 1.00 0.00 C ATOM 238 CD2 LEU A 15 7.683 10.801 -4.898 1.00 0.00 C ATOM 0 H LEU A 15 10.130 11.649 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 15 10.299 8.926 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.320 10.407 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.318 8.656 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 15 7.165 9.696 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.619 8.354 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.605 7.455 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.361 8.130 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.693 10.751 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.441 10.794 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.771 11.719 -5.479 1.00 0.00 H new ATOM 250 N ILE A 16 12.367 8.072 -5.855 1.00 0.00 N ATOM 251 CA ILE A 16 13.549 7.459 -6.444 1.00 0.00 C ATOM 252 C ILE A 16 13.114 6.233 -7.248 1.00 0.00 C ATOM 253 O ILE A 16 12.480 5.329 -6.709 1.00 0.00 O ATOM 254 CB ILE A 16 14.589 7.146 -5.347 1.00 0.00 C ATOM 255 CG1 ILE A 16 15.823 6.462 -5.960 1.00 0.00 C ATOM 256 CG2 ILE A 16 14.034 6.315 -4.182 1.00 0.00 C ATOM 257 CD1 ILE A 16 16.980 6.360 -4.962 1.00 0.00 C ATOM 0 H ILE A 16 12.051 7.591 -5.013 1.00 0.00 H new ATOM 0 HA ILE A 16 14.044 8.142 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 16 14.875 8.106 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 16 15.551 5.464 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 16 16.149 7.022 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 16 14.825 6.137 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.217 6.856 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.666 5.361 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 16 17.829 5.870 -5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 16 17.271 7.360 -4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 16 16.664 5.777 -4.097 1.00 0.00 H new ATOM 269 N LEU A 17 13.428 6.214 -8.547 1.00 0.00 N ATOM 270 CA LEU A 17 13.227 5.064 -9.415 1.00 0.00 C ATOM 271 C LEU A 17 14.454 4.153 -9.361 1.00 0.00 C ATOM 272 O LEU A 17 15.581 4.639 -9.307 1.00 0.00 O ATOM 273 CB LEU A 17 13.007 5.557 -10.852 1.00 0.00 C ATOM 274 CG LEU A 17 11.606 6.149 -11.071 1.00 0.00 C ATOM 275 CD1 LEU A 17 11.631 7.136 -12.243 1.00 0.00 C ATOM 276 CD2 LEU A 17 10.592 5.040 -11.379 1.00 0.00 C ATOM 0 H LEU A 17 13.836 7.016 -9.028 1.00 0.00 H new ATOM 0 HA LEU A 17 12.356 4.500 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.757 6.311 -11.091 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.158 4.728 -11.543 1.00 0.00 H new ATOM 0 HG LEU A 17 11.310 6.664 -10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.634 7.551 -12.391 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.331 7.943 -12.024 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.946 6.618 -13.149 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.606 5.480 -11.531 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.896 4.510 -12.282 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.552 4.341 -10.544 1.00 0.00 H new ATOM 288 N CYS A 18 14.231 2.832 -9.370 1.00 0.00 N ATOM 289 CA CYS A 18 15.307 1.869 -9.560 1.00 0.00 C ATOM 290 C CYS A 18 15.716 1.867 -11.030 1.00 0.00 C ATOM 291 O CYS A 18 14.858 1.783 -11.905 1.00 0.00 O ATOM 292 CB CYS A 18 14.873 0.472 -9.117 1.00 0.00 C ATOM 293 SG CYS A 18 16.052 -0.810 -9.611 1.00 0.00 S ATOM 0 H CYS A 18 13.310 2.412 -9.247 1.00 0.00 H new ATOM 0 HA CYS A 18 16.160 2.156 -8.946 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.758 0.457 -8.033 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.896 0.246 -9.544 1.00 0.00 H new ATOM 0 HG CYS A 18 17.206 -0.265 -9.861 1.00 0.00 H new ATOM 298 N ASP A 19 17.021 1.954 -11.300 1.00 0.00 N ATOM 299 CA ASP A 19 17.524 2.178 -12.650 1.00 0.00 C ATOM 300 C ASP A 19 17.305 0.931 -13.507 1.00 0.00 C ATOM 301 O ASP A 19 16.946 1.037 -14.680 1.00 0.00 O ATOM 302 CB ASP A 19 19.004 2.580 -12.608 1.00 0.00 C ATOM 303 CG ASP A 19 19.194 4.008 -12.101 1.00 0.00 C ATOM 304 OD1 ASP A 19 18.762 4.282 -10.960 1.00 0.00 O ATOM 305 OD2 ASP A 19 19.775 4.810 -12.863 1.00 0.00 O ATOM 0 H ASP A 19 17.751 1.871 -10.592 1.00 0.00 H new ATOM 0 HA ASP A 19 16.971 2.999 -13.106 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.549 1.891 -11.963 1.00 0.00 H new ATOM 0 HB3 ASP A 19 19.433 2.489 -13.606 1.00 0.00 H new ATOM 310 N GLU A 20 17.502 -0.245 -12.905 1.00 0.00 N ATOM 311 CA GLU A 20 17.401 -1.532 -13.567 1.00 0.00 C ATOM 312 C GLU A 20 15.954 -1.823 -13.973 1.00 0.00 C ATOM 313 O GLU A 20 15.655 -1.898 -15.163 1.00 0.00 O ATOM 314 CB GLU A 20 17.947 -2.620 -12.635 1.00 0.00 C ATOM 315 CG GLU A 20 19.438 -2.425 -12.342 1.00 0.00 C ATOM 316 CD GLU A 20 19.951 -3.527 -11.424 1.00 0.00 C ATOM 317 OE1 GLU A 20 19.625 -3.456 -10.220 1.00 0.00 O ATOM 318 OE2 GLU A 20 20.655 -4.423 -11.937 1.00 0.00 O ATOM 0 H GLU A 20 17.742 -0.321 -11.917 1.00 0.00 H new ATOM 0 HA GLU A 20 17.995 -1.518 -14.481 1.00 0.00 H new ATOM 0 HB2 GLU A 20 17.389 -2.610 -11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.791 -3.599 -13.089 1.00 0.00 H new ATOM 0 HG2 GLU A 20 20.001 -2.430 -13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.599 -1.452 -11.877 1.00 0.00 H new ATOM 325 N CYS A 21 15.060 -2.000 -12.989 1.00 0.00 N ATOM 326 CA CYS A 21 13.710 -2.500 -13.235 1.00 0.00 C ATOM 327 C CYS A 21 12.681 -1.383 -13.427 1.00 0.00 C ATOM 328 O CYS A 21 11.559 -1.678 -13.835 1.00 0.00 O ATOM 329 CB CYS A 21 13.273 -3.473 -12.133 1.00 0.00 C ATOM 330 SG CYS A 21 13.042 -2.771 -10.481 1.00 0.00 S ATOM 0 H CYS A 21 15.256 -1.800 -12.008 1.00 0.00 H new ATOM 0 HA CYS A 21 13.751 -3.043 -14.179 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.336 -3.938 -12.440 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.016 -4.268 -12.065 1.00 0.00 H new ATOM 0 HG CYS A 21 14.100 -2.095 -10.145 1.00 0.00 H new ATOM 335 N ASN A 22 13.037 -0.122 -13.140 1.00 0.00 N ATOM 336 CA ASN A 22 12.187 1.040 -13.385 1.00 0.00 C ATOM 337 C ASN A 22 10.888 0.915 -12.591 1.00 0.00 C ATOM 338 O ASN A 22 9.797 0.872 -13.159 1.00 0.00 O ATOM 339 CB ASN A 22 11.990 1.278 -14.889 1.00 0.00 C ATOM 340 CG ASN A 22 13.308 1.661 -15.566 1.00 0.00 C ATOM 341 OD1 ASN A 22 13.546 2.835 -15.836 1.00 0.00 O ATOM 342 ND2 ASN A 22 14.182 0.683 -15.818 1.00 0.00 N ATOM 0 H ASN A 22 13.938 0.117 -12.725 1.00 0.00 H new ATOM 0 HA ASN A 22 12.681 1.941 -13.021 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.588 0.377 -15.353 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.256 2.070 -15.042 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.081 0.901 -16.248 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.951 -0.282 -15.580 1.00 0.00 H new ATOM 349 N LYS A 23 11.032 0.839 -11.262 1.00 0.00 N ATOM 350 CA LYS A 23 9.960 0.799 -10.292 1.00 0.00 C ATOM 351 C LYS A 23 10.225 1.876 -9.241 1.00 0.00 C ATOM 352 O LYS A 23 11.374 2.106 -8.864 1.00 0.00 O ATOM 353 CB LYS A 23 9.939 -0.593 -9.657 1.00 0.00 C ATOM 354 CG LYS A 23 9.659 -1.724 -10.661 1.00 0.00 C ATOM 355 CD LYS A 23 8.243 -1.678 -11.256 1.00 0.00 C ATOM 356 CE LYS A 23 8.082 -2.694 -12.392 1.00 0.00 C ATOM 357 NZ LYS A 23 8.804 -2.279 -13.611 1.00 0.00 N ATOM 0 H LYS A 23 11.952 0.802 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 23 8.992 0.989 -10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.898 -0.777 -9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.179 -0.615 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.387 -1.669 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.805 -2.684 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.511 -1.884 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.036 -0.675 -11.630 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.452 -3.666 -12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.024 -2.817 -12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.641 -2.976 -14.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.458 -1.348 -13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.822 -2.220 -13.408 1.00 0.00 H new ATOM 371 N ALA A 24 9.154 2.542 -8.794 1.00 0.00 N ATOM 372 CA ALA A 24 9.216 3.738 -7.967 1.00 0.00 C ATOM 373 C ALA A 24 9.288 3.385 -6.481 1.00 0.00 C ATOM 374 O ALA A 24 8.591 2.486 -6.010 1.00 0.00 O ATOM 375 CB ALA A 24 7.996 4.617 -8.250 1.00 0.00 C ATOM 0 H ALA A 24 8.200 2.251 -9.006 1.00 0.00 H new ATOM 0 HA ALA A 24 10.124 4.286 -8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.042 5.513 -7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.989 4.903 -9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.087 4.062 -8.019 1.00 0.00 H new ATOM 381 N PHE A 25 10.122 4.134 -5.756 1.00 0.00 N ATOM 382 CA PHE A 25 10.441 3.956 -4.349 1.00 0.00 C ATOM 383 C PHE A 25 10.614 5.327 -3.696 1.00 0.00 C ATOM 384 O PHE A 25 10.582 6.357 -4.368 1.00 0.00 O ATOM 385 CB PHE A 25 11.739 3.142 -4.222 1.00 0.00 C ATOM 386 CG PHE A 25 11.554 1.647 -4.352 1.00 0.00 C ATOM 387 CD1 PHE A 25 11.225 0.883 -3.218 1.00 0.00 C ATOM 388 CD2 PHE A 25 11.763 1.013 -5.591 1.00 0.00 C ATOM 389 CE1 PHE A 25 11.104 -0.515 -3.327 1.00 0.00 C ATOM 390 CE2 PHE A 25 11.583 -0.375 -5.710 1.00 0.00 C ATOM 391 CZ PHE A 25 11.261 -1.140 -4.576 1.00 0.00 C ATOM 0 H PHE A 25 10.619 4.926 -6.165 1.00 0.00 H new ATOM 0 HA PHE A 25 9.634 3.420 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.440 3.477 -4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.195 3.357 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.066 1.368 -2.266 1.00 0.00 H new ATOM 0 HD2 PHE A 25 12.062 1.594 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.890 -1.108 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.692 -0.854 -6.672 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.134 -2.209 -4.664 1.00 0.00 H new ATOM 401 N HIS A 26 10.769 5.324 -2.369 1.00 0.00 N ATOM 402 CA HIS A 26 11.186 6.468 -1.571 1.00 0.00 C ATOM 403 C HIS A 26 12.425 6.035 -0.799 1.00 0.00 C ATOM 404 O HIS A 26 12.563 4.855 -0.475 1.00 0.00 O ATOM 405 CB HIS A 26 10.123 6.847 -0.543 1.00 0.00 C ATOM 406 CG HIS A 26 8.893 7.516 -1.083 1.00 0.00 C ATOM 407 ND1 HIS A 26 7.616 6.958 -1.075 1.00 0.00 N ATOM 408 CD2 HIS A 26 8.827 8.815 -1.497 1.00 0.00 C ATOM 409 CE1 HIS A 26 6.806 7.940 -1.497 1.00 0.00 C ATOM 410 NE2 HIS A 26 7.501 9.060 -1.759 1.00 0.00 N ATOM 0 H HIS A 26 10.600 4.491 -1.805 1.00 0.00 H new ATOM 0 HA HIS A 26 11.361 7.321 -2.227 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.819 5.943 -0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.578 7.509 0.194 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.649 9.508 -1.598 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.736 7.843 -1.611 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.111 9.941 -2.095 1.00 0.00 H new ATOM 418 N LEU A 27 13.299 6.986 -0.460 1.00 0.00 N ATOM 419 CA LEU A 27 14.392 6.734 0.466 1.00 0.00 C ATOM 420 C LEU A 27 13.817 6.232 1.794 1.00 0.00 C ATOM 421 O LEU A 27 14.316 5.256 2.347 1.00 0.00 O ATOM 422 CB LEU A 27 15.242 7.992 0.675 1.00 0.00 C ATOM 423 CG LEU A 27 16.038 8.496 -0.544 1.00 0.00 C ATOM 424 CD1 LEU A 27 16.900 7.404 -1.185 1.00 0.00 C ATOM 425 CD2 LEU A 27 15.172 9.188 -1.606 1.00 0.00 C ATOM 0 H LEU A 27 13.265 7.940 -0.818 1.00 0.00 H new ATOM 0 HA LEU A 27 15.047 5.971 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.585 8.795 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.945 7.798 1.485 1.00 0.00 H new ATOM 0 HG LEU A 27 16.705 9.254 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.437 7.818 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.616 7.029 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.262 6.587 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 27 15.802 9.515 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.422 8.489 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.676 10.052 -1.164 1.00 0.00 H new ATOM 437 N PHE A 28 12.731 6.869 2.256 1.00 0.00 N ATOM 438 CA PHE A 28 11.896 6.444 3.376 1.00 0.00 C ATOM 439 C PHE A 28 11.647 4.932 3.369 1.00 0.00 C ATOM 440 O PHE A 28 11.948 4.244 4.343 1.00 0.00 O ATOM 441 CB PHE A 28 10.554 7.195 3.333 1.00 0.00 C ATOM 442 CG PHE A 28 10.643 8.692 3.087 1.00 0.00 C ATOM 443 CD1 PHE A 28 11.562 9.484 3.802 1.00 0.00 C ATOM 444 CD2 PHE A 28 9.844 9.286 2.092 1.00 0.00 C ATOM 445 CE1 PHE A 28 11.718 10.844 3.481 1.00 0.00 C ATOM 446 CE2 PHE A 28 10.046 10.627 1.729 1.00 0.00 C ATOM 447 CZ PHE A 28 10.979 11.410 2.428 1.00 0.00 C ATOM 0 H PHE A 28 12.400 7.737 1.834 1.00 0.00 H new ATOM 0 HA PHE A 28 12.429 6.683 4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.937 6.753 2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.037 7.031 4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.147 9.047 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.072 8.708 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.407 11.455 4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.484 11.056 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.128 12.445 2.157 1.00 0.00 H new ATOM 457 N CYS A 29 11.086 4.431 2.263 1.00 0.00 N ATOM 458 CA CYS A 29 10.573 3.074 2.134 1.00 0.00 C ATOM 459 C CYS A 29 11.713 2.071 1.952 1.00 0.00 C ATOM 460 O CYS A 29 11.623 0.950 2.447 1.00 0.00 O ATOM 461 CB CYS A 29 9.594 3.018 0.957 1.00 0.00 C ATOM 462 SG CYS A 29 8.136 4.077 1.161 1.00 0.00 S ATOM 0 H CYS A 29 10.976 4.980 1.410 1.00 0.00 H new ATOM 0 HA CYS A 29 10.048 2.800 3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.118 3.310 0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.266 1.988 0.819 1.00 0.00 H new ATOM 0 HG CYS A 29 8.171 5.037 0.285 1.00 0.00 H new ATOM 467 N LEU A 30 12.776 2.472 1.244 1.00 0.00 N ATOM 468 CA LEU A 30 13.991 1.685 1.099 1.00 0.00 C ATOM 469 C LEU A 30 14.666 1.499 2.459 1.00 0.00 C ATOM 470 O LEU A 30 14.676 0.392 2.994 1.00 0.00 O ATOM 471 CB LEU A 30 14.923 2.353 0.078 1.00 0.00 C ATOM 472 CG LEU A 30 14.358 2.335 -1.352 1.00 0.00 C ATOM 473 CD1 LEU A 30 15.083 3.390 -2.194 1.00 0.00 C ATOM 474 CD2 LEU A 30 14.503 0.957 -2.005 1.00 0.00 C ATOM 0 H LEU A 30 12.810 3.365 0.752 1.00 0.00 H new ATOM 0 HA LEU A 30 13.743 0.692 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 30 15.103 3.385 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.888 1.846 0.088 1.00 0.00 H new ATOM 0 HG LEU A 30 13.293 2.562 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.686 3.381 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.930 4.375 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.149 3.165 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.092 0.987 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.558 0.685 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.963 0.216 -1.415 1.00 0.00 H new ATOM 486 N ARG A 31 15.231 2.582 3.002 1.00 0.00 N ATOM 487 CA ARG A 31 15.856 2.621 4.317 1.00 0.00 C ATOM 488 C ARG A 31 15.717 4.042 4.880 1.00 0.00 C ATOM 489 O ARG A 31 16.313 4.959 4.320 1.00 0.00 O ATOM 490 CB ARG A 31 17.346 2.255 4.223 1.00 0.00 C ATOM 491 CG ARG A 31 17.594 0.796 3.816 1.00 0.00 C ATOM 492 CD ARG A 31 19.064 0.411 4.021 1.00 0.00 C ATOM 493 NE ARG A 31 19.973 1.267 3.244 1.00 0.00 N ATOM 494 CZ ARG A 31 20.295 1.109 1.949 1.00 0.00 C ATOM 495 NH1 ARG A 31 19.771 0.119 1.212 1.00 0.00 N ATOM 496 NH2 ARG A 31 21.161 1.961 1.385 1.00 0.00 N ATOM 0 H ARG A 31 15.264 3.480 2.520 1.00 0.00 H new ATOM 0 HA ARG A 31 15.365 1.899 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.828 2.913 3.500 1.00 0.00 H new ATOM 0 HB3 ARG A 31 17.819 2.440 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.956 0.137 4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 31 17.320 0.655 2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 31 19.313 0.485 5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 31 19.210 -0.629 3.731 1.00 0.00 H new ATOM 0 HE ARG A 31 20.399 2.054 3.734 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.112 -0.536 1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.032 0.021 0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.566 2.717 1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 31 21.415 1.854 0.403 1.00 0.00 H new ATOM 510 N PRO A 32 14.987 4.245 5.990 1.00 0.00 N ATOM 511 CA PRO A 32 14.612 5.566 6.484 1.00 0.00 C ATOM 512 C PRO A 32 15.815 6.416 6.920 1.00 0.00 C ATOM 513 O PRO A 32 15.695 7.635 7.012 1.00 0.00 O ATOM 514 CB PRO A 32 13.671 5.298 7.659 1.00 0.00 C ATOM 515 CG PRO A 32 14.208 3.985 8.225 1.00 0.00 C ATOM 516 CD PRO A 32 14.634 3.227 6.968 1.00 0.00 C ATOM 0 HA PRO A 32 14.141 6.150 5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.704 6.100 8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.634 5.206 7.335 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.046 4.149 8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.446 3.444 8.786 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.481 2.573 7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.826 2.595 6.600 1.00 0.00 H new ATOM 524 N ALA A 33 16.968 5.785 7.183 1.00 0.00 N ATOM 525 CA ALA A 33 18.240 6.462 7.400 1.00 0.00 C ATOM 526 C ALA A 33 18.632 7.377 6.234 1.00 0.00 C ATOM 527 O ALA A 33 19.281 8.398 6.450 1.00 0.00 O ATOM 528 CB ALA A 33 19.328 5.414 7.646 1.00 0.00 C ATOM 0 H ALA A 33 17.036 4.770 7.251 1.00 0.00 H new ATOM 0 HA ALA A 33 18.131 7.106 8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.283 5.913 7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.072 4.823 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.405 4.759 6.778 1.00 0.00 H new ATOM 534 N LEU A 34 18.267 6.998 5.004 1.00 0.00 N ATOM 535 CA LEU A 34 18.469 7.807 3.810 1.00 0.00 C ATOM 536 C LEU A 34 17.290 8.763 3.613 1.00 0.00 C ATOM 537 O LEU A 34 16.194 8.530 4.121 1.00 0.00 O ATOM 538 CB LEU A 34 18.661 6.914 2.581 1.00 0.00 C ATOM 539 CG LEU A 34 20.049 6.259 2.478 1.00 0.00 C ATOM 540 CD1 LEU A 34 21.180 7.273 2.266 1.00 0.00 C ATOM 541 CD2 LEU A 34 20.385 5.320 3.644 1.00 0.00 C ATOM 0 H LEU A 34 17.815 6.103 4.814 1.00 0.00 H new ATOM 0 HA LEU A 34 19.374 8.401 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.904 6.130 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.487 7.509 1.685 1.00 0.00 H new ATOM 0 HG LEU A 34 19.979 5.641 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.133 6.747 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.006 7.824 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 34 21.206 7.970 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 34 21.379 4.899 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.362 5.879 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.652 4.514 3.685 1.00 0.00 H new ATOM 553 N TYR A 35 17.534 9.840 2.856 1.00 0.00 N ATOM 554 CA TYR A 35 16.629 10.972 2.695 1.00 0.00 C ATOM 555 C TYR A 35 16.778 11.558 1.292 1.00 0.00 C ATOM 556 O TYR A 35 15.790 11.743 0.583 1.00 0.00 O ATOM 557 CB TYR A 35 16.922 12.033 3.765 1.00 0.00 C ATOM 558 CG TYR A 35 16.568 11.598 5.174 1.00 0.00 C ATOM 559 CD1 TYR A 35 15.225 11.618 5.591 1.00 0.00 C ATOM 560 CD2 TYR A 35 17.564 11.119 6.047 1.00 0.00 C ATOM 561 CE1 TYR A 35 14.875 11.149 6.869 1.00 0.00 C ATOM 562 CE2 TYR A 35 17.215 10.663 7.330 1.00 0.00 C ATOM 563 CZ TYR A 35 15.869 10.667 7.737 1.00 0.00 C ATOM 564 OH TYR A 35 15.526 10.216 8.977 1.00 0.00 O ATOM 0 H TYR A 35 18.397 9.945 2.323 1.00 0.00 H new ATOM 0 HA TYR A 35 15.600 10.634 2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 35 17.981 12.288 3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 35 16.367 12.940 3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.461 11.995 4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.596 11.102 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.842 11.159 7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 35 17.981 10.309 8.004 1.00 0.00 H new ATOM 0 HH TYR A 35 16.330 9.917 9.450 1.00 0.00 H new ATOM 574 N GLU A 36 18.026 11.825 0.897 1.00 0.00 N ATOM 575 CA GLU A 36 18.388 12.359 -0.407 1.00 0.00 C ATOM 576 C GLU A 36 18.724 11.222 -1.374 1.00 0.00 C ATOM 577 O GLU A 36 19.181 10.156 -0.963 1.00 0.00 O ATOM 578 CB GLU A 36 19.559 13.344 -0.260 1.00 0.00 C ATOM 579 CG GLU A 36 19.099 14.746 0.166 1.00 0.00 C ATOM 580 CD GLU A 36 18.223 14.741 1.418 1.00 0.00 C ATOM 581 OE1 GLU A 36 18.803 14.610 2.517 1.00 0.00 O ATOM 582 OE2 GLU A 36 16.989 14.853 1.249 1.00 0.00 O ATOM 0 H GLU A 36 18.834 11.668 1.500 1.00 0.00 H new ATOM 0 HA GLU A 36 17.540 12.902 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 36 20.264 12.958 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 36 20.093 13.413 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.975 15.369 0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.546 15.204 -0.654 1.00 0.00 H new ATOM 589 N VAL A 37 18.481 11.465 -2.667 1.00 0.00 N ATOM 590 CA VAL A 37 18.797 10.543 -3.749 1.00 0.00 C ATOM 591 C VAL A 37 20.324 10.435 -3.869 1.00 0.00 C ATOM 592 O VAL A 37 20.982 11.465 -4.016 1.00 0.00 O ATOM 593 CB VAL A 37 18.164 11.053 -5.058 1.00 0.00 C ATOM 594 CG1 VAL A 37 18.473 10.122 -6.238 1.00 0.00 C ATOM 595 CG2 VAL A 37 16.639 11.184 -4.931 1.00 0.00 C ATOM 0 H VAL A 37 18.049 12.330 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 37 18.391 9.552 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 37 18.602 12.033 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.010 10.515 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 37 19.552 10.061 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.077 9.128 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.225 11.546 -5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.209 10.211 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.399 11.889 -4.135 1.00 0.00 H new ATOM 605 N PRO A 38 20.908 9.225 -3.801 1.00 0.00 N ATOM 606 CA PRO A 38 22.351 9.040 -3.809 1.00 0.00 C ATOM 607 C PRO A 38 22.928 9.345 -5.192 1.00 0.00 C ATOM 608 O PRO A 38 22.238 9.220 -6.203 1.00 0.00 O ATOM 609 CB PRO A 38 22.573 7.572 -3.441 1.00 0.00 C ATOM 610 CG PRO A 38 21.322 6.888 -3.989 1.00 0.00 C ATOM 611 CD PRO A 38 20.234 7.938 -3.767 1.00 0.00 C ATOM 0 HA PRO A 38 22.849 9.712 -3.110 1.00 0.00 H new ATOM 0 HB2 PRO A 38 23.481 7.175 -3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 38 22.668 7.436 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 38 21.429 6.634 -5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 38 21.103 5.961 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 38 19.469 7.877 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.733 7.785 -2.811 1.00 0.00 H new ATOM 619 N ASP A 39 24.213 9.717 -5.227 1.00 0.00 N ATOM 620 CA ASP A 39 24.910 10.125 -6.439 1.00 0.00 C ATOM 621 C ASP A 39 25.415 8.893 -7.197 1.00 0.00 C ATOM 622 O ASP A 39 26.612 8.756 -7.451 1.00 0.00 O ATOM 623 CB ASP A 39 26.055 11.080 -6.066 1.00 0.00 C ATOM 624 CG ASP A 39 25.547 12.320 -5.337 1.00 0.00 C ATOM 625 OD1 ASP A 39 25.456 12.249 -4.092 1.00 0.00 O ATOM 626 OD2 ASP A 39 25.255 13.314 -6.036 1.00 0.00 O ATOM 0 H ASP A 39 24.803 9.741 -4.395 1.00 0.00 H new ATOM 0 HA ASP A 39 24.227 10.655 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.773 10.557 -5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.585 11.382 -6.969 1.00 0.00 H new ATOM 631 N GLY A 40 24.496 7.995 -7.569 1.00 0.00 N ATOM 632 CA GLY A 40 24.778 6.890 -8.469 1.00 0.00 C ATOM 633 C GLY A 40 23.494 6.155 -8.846 1.00 0.00 C ATOM 634 O GLY A 40 22.459 6.331 -8.203 1.00 0.00 O ATOM 0 H GLY A 40 23.529 8.022 -7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.266 7.264 -9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.473 6.197 -7.994 1.00 0.00 H new ATOM 638 N GLU A 41 23.582 5.323 -9.891 1.00 0.00 N ATOM 639 CA GLU A 41 22.479 4.532 -10.418 1.00 0.00 C ATOM 640 C GLU A 41 21.940 3.605 -9.328 1.00 0.00 C ATOM 641 O GLU A 41 22.691 2.799 -8.779 1.00 0.00 O ATOM 642 CB GLU A 41 22.937 3.708 -11.633 1.00 0.00 C ATOM 643 CG GLU A 41 23.531 4.553 -12.771 1.00 0.00 C ATOM 644 CD GLU A 41 25.039 4.753 -12.627 1.00 0.00 C ATOM 645 OE1 GLU A 41 25.426 5.738 -11.960 1.00 0.00 O ATOM 646 OE2 GLU A 41 25.781 3.911 -13.176 1.00 0.00 O ATOM 0 H GLU A 41 24.452 5.182 -10.404 1.00 0.00 H new ATOM 0 HA GLU A 41 21.686 5.208 -10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 41 23.681 2.981 -11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.088 3.144 -12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 41 23.322 4.070 -13.725 1.00 0.00 H new ATOM 0 HG3 GLU A 41 23.039 5.526 -12.792 1.00 0.00 H new ATOM 653 N TRP A 42 20.653 3.739 -8.988 1.00 0.00 N ATOM 654 CA TRP A 42 20.072 3.064 -7.841 1.00 0.00 C ATOM 655 C TRP A 42 19.630 1.653 -8.220 1.00 0.00 C ATOM 656 O TRP A 42 19.127 1.426 -9.320 1.00 0.00 O ATOM 657 CB TRP A 42 18.898 3.863 -7.269 1.00 0.00 C ATOM 658 CG TRP A 42 18.310 3.238 -6.041 1.00 0.00 C ATOM 659 CD1 TRP A 42 17.067 2.717 -5.929 1.00 0.00 C ATOM 660 CD2 TRP A 42 18.978 2.948 -4.776 1.00 0.00 C ATOM 661 NE1 TRP A 42 16.930 2.107 -4.700 1.00 0.00 N ATOM 662 CE2 TRP A 42 18.084 2.205 -3.951 1.00 0.00 C ATOM 663 CE3 TRP A 42 20.262 3.215 -4.250 1.00 0.00 C ATOM 664 CZ2 TRP A 42 18.452 1.736 -2.680 1.00 0.00 C ATOM 665 CZ3 TRP A 42 20.635 2.762 -2.972 1.00 0.00 C ATOM 666 CH2 TRP A 42 19.734 2.019 -2.190 1.00 0.00 C ATOM 0 H TRP A 42 19.993 4.320 -9.505 1.00 0.00 H new ATOM 0 HA TRP A 42 20.836 2.991 -7.067 1.00 0.00 H new ATOM 0 HB2 TRP A 42 19.234 4.872 -7.031 1.00 0.00 H new ATOM 0 HB3 TRP A 42 18.123 3.956 -8.030 1.00 0.00 H new ATOM 0 HD1 TRP A 42 16.299 2.771 -6.686 1.00 0.00 H new ATOM 0 HE1 TRP A 42 16.080 1.641 -4.384 1.00 0.00 H new ATOM 0 HE3 TRP A 42 20.970 3.777 -4.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 17.755 1.163 -2.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 21.620 2.986 -2.589 1.00 0.00 H new ATOM 0 HH2 TRP A 42 20.029 1.667 -1.213 1.00 0.00 H new ATOM 677 N GLN A 43 19.805 0.715 -7.283 1.00 0.00 N ATOM 678 CA GLN A 43 19.268 -0.632 -7.357 1.00 0.00 C ATOM 679 C GLN A 43 18.404 -0.866 -6.118 1.00 0.00 C ATOM 680 O GLN A 43 18.853 -0.603 -5.002 1.00 0.00 O ATOM 681 CB GLN A 43 20.418 -1.648 -7.391 1.00 0.00 C ATOM 682 CG GLN A 43 21.433 -1.362 -8.506 1.00 0.00 C ATOM 683 CD GLN A 43 22.524 -2.430 -8.532 1.00 0.00 C ATOM 684 OE1 GLN A 43 23.655 -2.176 -8.125 1.00 0.00 O ATOM 685 NE2 GLN A 43 22.185 -3.633 -8.995 1.00 0.00 N ATOM 0 H GLN A 43 20.340 0.885 -6.432 1.00 0.00 H new ATOM 0 HA GLN A 43 18.671 -0.753 -8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 43 20.931 -1.642 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 43 20.008 -2.649 -7.527 1.00 0.00 H new ATOM 0 HG2 GLN A 43 20.923 -1.332 -9.469 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.882 -0.381 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 43 21.235 -3.804 -9.324 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.876 -4.383 -9.020 1.00 0.00 H new ATOM 694 N CYS A 44 17.170 -1.346 -6.303 1.00 0.00 N ATOM 695 CA CYS A 44 16.253 -1.634 -5.207 1.00 0.00 C ATOM 696 C CYS A 44 16.566 -3.008 -4.591 1.00 0.00 C ATOM 697 O CYS A 44 17.247 -3.821 -5.219 1.00 0.00 O ATOM 698 CB CYS A 44 14.804 -1.538 -5.692 1.00 0.00 C ATOM 699 SG CYS A 44 14.327 -2.686 -7.003 1.00 0.00 S ATOM 0 H CYS A 44 16.782 -1.545 -7.225 1.00 0.00 H new ATOM 0 HA CYS A 44 16.387 -0.890 -4.422 1.00 0.00 H new ATOM 0 HB2 CYS A 44 14.145 -1.699 -4.839 1.00 0.00 H new ATOM 0 HB3 CYS A 44 14.627 -0.522 -6.044 1.00 0.00 H new ATOM 0 HG CYS A 44 14.814 -2.277 -8.137 1.00 0.00 H new ATOM 704 N PRO A 45 16.055 -3.286 -3.377 1.00 0.00 N ATOM 705 CA PRO A 45 16.113 -4.597 -2.740 1.00 0.00 C ATOM 706 C PRO A 45 15.478 -5.765 -3.504 1.00 0.00 C ATOM 707 O PRO A 45 15.645 -6.908 -3.082 1.00 0.00 O ATOM 708 CB PRO A 45 15.455 -4.417 -1.373 1.00 0.00 C ATOM 709 CG PRO A 45 15.844 -2.987 -1.015 1.00 0.00 C ATOM 710 CD PRO A 45 15.786 -2.275 -2.365 1.00 0.00 C ATOM 0 HA PRO A 45 17.159 -4.898 -2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.374 -4.545 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.829 -5.136 -0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.153 -2.548 -0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.839 -2.937 -0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.808 -1.820 -2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.522 -1.473 -2.413 1.00 0.00 H new ATOM 718 N ALA A 46 14.740 -5.514 -4.593 1.00 0.00 N ATOM 719 CA ALA A 46 14.294 -6.576 -5.483 1.00 0.00 C ATOM 720 C ALA A 46 15.468 -7.066 -6.328 1.00 0.00 C ATOM 721 O ALA A 46 15.693 -8.270 -6.429 1.00 0.00 O ATOM 722 CB ALA A 46 13.135 -6.096 -6.362 1.00 0.00 C ATOM 0 H ALA A 46 14.442 -4.580 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 46 13.926 -7.411 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.817 -6.905 -7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.300 -5.793 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.461 -5.247 -6.963 1.00 0.00 H new ATOM 728 N CYS A 47 16.210 -6.133 -6.938 1.00 0.00 N ATOM 729 CA CYS A 47 17.273 -6.453 -7.869 1.00 0.00 C ATOM 730 C CYS A 47 18.528 -6.884 -7.115 1.00 0.00 C ATOM 731 O CYS A 47 19.028 -7.987 -7.322 1.00 0.00 O ATOM 732 CB CYS A 47 17.565 -5.253 -8.770 1.00 0.00 C ATOM 733 SG CYS A 47 16.176 -4.643 -9.750 1.00 0.00 S ATOM 0 H CYS A 47 16.080 -5.132 -6.791 1.00 0.00 H new ATOM 0 HA CYS A 47 16.952 -7.284 -8.497 1.00 0.00 H new ATOM 0 HB2 CYS A 47 17.931 -4.437 -8.147 1.00 0.00 H new ATOM 0 HB3 CYS A 47 18.373 -5.522 -9.450 1.00 0.00 H new ATOM 0 HG CYS A 47 16.155 -3.344 -9.711 1.00 0.00 H new ATOM 738 N GLN A 48 19.035 -6.001 -6.246 1.00 0.00 N ATOM 739 CA GLN A 48 20.090 -6.316 -5.298 1.00 0.00 C ATOM 740 C GLN A 48 19.488 -7.156 -4.167 1.00 0.00 C ATOM 741 O GLN A 48 18.527 -6.705 -3.550 1.00 0.00 O ATOM 742 CB GLN A 48 20.686 -4.998 -4.779 1.00 0.00 C ATOM 743 CG GLN A 48 21.636 -5.172 -3.586 1.00 0.00 C ATOM 744 CD GLN A 48 22.759 -6.169 -3.856 1.00 0.00 C ATOM 745 OE1 GLN A 48 23.429 -6.092 -4.883 1.00 0.00 O ATOM 746 NE2 GLN A 48 22.969 -7.116 -2.939 1.00 0.00 N ATOM 0 H GLN A 48 18.713 -5.035 -6.188 1.00 0.00 H new ATOM 0 HA GLN A 48 20.891 -6.892 -5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 48 21.224 -4.509 -5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.873 -4.332 -4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.070 -4.205 -3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 48 21.064 -5.504 -2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 48 22.392 -7.149 -2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 48 23.706 -7.807 -3.079 1.00 0.00 H new