USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 432 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 7 LYS NZ :NH3+ 156:sc= 0.561 (180deg=0.0227) USER MOD Single : A 15 ASN : amide:sc= -0.421 X(o=-0.42,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0.766 (180deg=0.755) USER MOD Single : A 20 TYR OH : rot 180:sc= 0.0282 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0664) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0926 (180deg=-0.351) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00102 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.928 F(o=-3.2!,f=-0.93) USER MOD Single : A 33 THR OG1 : rot 102:sc= 0.903 USER MOD Single : A 39 ASN : amide:sc= -0.234 K(o=-0.23,f=-3.2!) USER MOD Single : A 42 CYS SG : rot 44:sc= -0.637 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 67:sc= 0.585 USER MOD Single : B 5 GLN : amide:sc= -3.75! C(o=-3.7!,f=-7!) USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.0483 USER MOD ----------------------------------------------------------------- ATOM 25 N PHE A 3 6.657 3.310 -2.287 1.00 0.00 N ATOM 26 CA PHE A 3 6.924 4.737 -2.569 1.00 0.00 C ATOM 27 C PHE A 3 8.256 4.882 -3.310 1.00 0.00 C ATOM 28 O PHE A 3 9.303 4.502 -2.779 1.00 0.00 O ATOM 29 CB PHE A 3 6.956 5.528 -1.235 1.00 0.00 C ATOM 30 CG PHE A 3 5.778 5.213 -0.314 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.525 5.776 -0.536 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.922 4.327 0.758 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.455 5.467 0.286 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.850 4.027 1.580 1.00 0.00 C ATOM 35 CZ PHE A 3 3.619 4.595 1.342 1.00 0.00 C ATOM 0 HA PHE A 3 6.132 5.139 -3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.886 5.306 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.961 6.596 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.386 6.462 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.882 3.871 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.488 5.910 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.979 3.347 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.782 4.358 1.982 1.00 0.00 H new ATOM 45 N VAL A 4 8.207 5.434 -4.529 1.00 0.00 N ATOM 46 CA VAL A 4 9.385 5.532 -5.407 1.00 0.00 C ATOM 47 C VAL A 4 10.290 6.697 -4.971 1.00 0.00 C ATOM 48 O VAL A 4 9.806 7.805 -4.699 1.00 0.00 O ATOM 49 CB VAL A 4 8.970 5.706 -6.911 1.00 0.00 C ATOM 50 CG1 VAL A 4 10.186 5.582 -7.860 1.00 0.00 C ATOM 51 CG2 VAL A 4 7.877 4.695 -7.297 1.00 0.00 C ATOM 0 H VAL A 4 7.356 5.824 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 4 9.940 4.598 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 4 8.567 6.713 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.857 5.708 -8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.918 6.352 -7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.641 4.598 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.605 4.835 -8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.251 3.682 -7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.999 4.851 -6.670 1.00 0.00 H new ATOM 61 N VAL A 5 11.598 6.413 -4.907 1.00 0.00 N ATOM 62 CA VAL A 5 12.647 7.366 -4.514 1.00 0.00 C ATOM 63 C VAL A 5 13.564 7.682 -5.720 1.00 0.00 C ATOM 64 O VAL A 5 13.911 6.797 -6.501 1.00 0.00 O ATOM 65 CB VAL A 5 13.471 6.826 -3.270 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.789 5.315 -3.392 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.762 7.655 -3.026 1.00 0.00 C ATOM 0 H VAL A 5 11.966 5.489 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 5 12.174 8.297 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 5 12.831 6.952 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.354 4.990 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.858 4.751 -3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.379 5.139 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.296 7.252 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.401 7.601 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.496 8.694 -2.834 1.00 0.00 H new ATOM 77 N GLU A 6 13.873 8.981 -5.886 1.00 0.00 N ATOM 78 CA GLU A 6 14.797 9.505 -6.909 1.00 0.00 C ATOM 79 C GLU A 6 16.257 9.108 -6.591 1.00 0.00 C ATOM 80 O GLU A 6 16.940 8.536 -7.449 1.00 0.00 O ATOM 81 CB GLU A 6 14.641 11.052 -6.986 1.00 0.00 C ATOM 82 CG GLU A 6 15.554 11.769 -8.001 1.00 0.00 C ATOM 83 CD GLU A 6 15.348 11.331 -9.462 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.218 11.456 -9.980 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.332 10.913 -10.110 1.00 0.00 O ATOM 0 H GLU A 6 13.477 9.714 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 6 14.549 9.070 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.604 11.282 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.833 11.467 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.383 12.843 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.593 11.592 -7.725 1.00 0.00 H new ATOM 92 N LYS A 7 16.727 9.451 -5.361 1.00 0.00 N ATOM 93 CA LYS A 7 18.027 8.986 -4.807 1.00 0.00 C ATOM 94 C LYS A 7 18.176 9.390 -3.330 1.00 0.00 C ATOM 95 O LYS A 7 17.380 10.175 -2.804 1.00 0.00 O ATOM 96 CB LYS A 7 19.273 9.490 -5.612 1.00 0.00 C ATOM 97 CG LYS A 7 19.577 11.018 -5.532 1.00 0.00 C ATOM 98 CD LYS A 7 18.955 11.832 -6.688 1.00 0.00 C ATOM 99 CE LYS A 7 19.549 11.454 -8.064 1.00 0.00 C ATOM 100 NZ LYS A 7 18.908 12.198 -9.171 1.00 0.00 N ATOM 0 H LYS A 7 16.213 10.060 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 7 18.005 7.900 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.150 8.948 -5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.134 9.223 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 7 19.204 11.405 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 7 20.657 11.166 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.877 11.669 -6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.114 12.895 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.620 11.657 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.427 10.383 -8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.558 12.243 -9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.033 11.712 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.681 13.163 -8.855 1.00 0.00 H new ATOM 114 N VAL A 8 19.205 8.826 -2.672 1.00 0.00 N ATOM 115 CA VAL A 8 19.605 9.215 -1.315 1.00 0.00 C ATOM 116 C VAL A 8 20.388 10.546 -1.357 1.00 0.00 C ATOM 117 O VAL A 8 21.188 10.773 -2.272 1.00 0.00 O ATOM 118 CB VAL A 8 20.498 8.108 -0.649 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.971 8.539 0.761 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.774 6.730 -0.617 1.00 0.00 C ATOM 0 H VAL A 8 19.782 8.086 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 8 18.700 9.337 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 8 21.387 7.988 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.587 7.751 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.556 9.456 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.104 8.714 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.422 5.989 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.851 6.817 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.541 6.417 -1.635 1.00 0.00 H new ATOM 130 N LEU A 9 20.146 11.413 -0.360 1.00 0.00 N ATOM 131 CA LEU A 9 20.809 12.725 -0.239 1.00 0.00 C ATOM 132 C LEU A 9 21.799 12.740 0.934 1.00 0.00 C ATOM 133 O LEU A 9 22.907 13.284 0.814 1.00 0.00 O ATOM 134 CB LEU A 9 19.760 13.857 -0.048 1.00 0.00 C ATOM 135 CG LEU A 9 18.681 13.998 -1.169 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.745 15.197 -0.898 1.00 0.00 C ATOM 137 CD2 LEU A 9 19.319 14.080 -2.579 1.00 0.00 C ATOM 0 H LEU A 9 19.481 11.224 0.390 1.00 0.00 H new ATOM 0 HA LEU A 9 21.359 12.899 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.248 13.693 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.291 14.805 0.036 1.00 0.00 H new ATOM 0 HG LEU A 9 18.073 13.094 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.005 15.269 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.237 15.054 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 9 18.331 16.115 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.534 14.177 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.979 14.946 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.894 13.174 -2.771 1.00 0.00 H new ATOM 149 N ASP A 10 21.396 12.129 2.068 1.00 0.00 N ATOM 150 CA ASP A 10 22.125 12.251 3.348 1.00 0.00 C ATOM 151 C ASP A 10 22.001 10.942 4.164 1.00 0.00 C ATOM 152 O ASP A 10 21.171 10.093 3.853 1.00 0.00 O ATOM 153 CB ASP A 10 21.575 13.485 4.126 1.00 0.00 C ATOM 154 CG ASP A 10 22.385 13.908 5.371 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.608 13.681 5.418 1.00 0.00 O ATOM 156 OD2 ASP A 10 21.796 14.517 6.289 1.00 0.00 O ATOM 0 H ASP A 10 20.564 11.542 2.123 1.00 0.00 H new ATOM 0 HA ASP A 10 23.188 12.408 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.528 14.332 3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.553 13.269 4.437 1.00 0.00 H new ATOM 161 N ARG A 11 22.867 10.783 5.183 1.00 0.00 N ATOM 162 CA ARG A 11 22.924 9.586 6.055 1.00 0.00 C ATOM 163 C ARG A 11 22.990 10.011 7.537 1.00 0.00 C ATOM 164 O ARG A 11 23.480 11.099 7.854 1.00 0.00 O ATOM 165 CB ARG A 11 24.167 8.744 5.671 1.00 0.00 C ATOM 166 CG ARG A 11 24.472 7.531 6.576 1.00 0.00 C ATOM 167 CD ARG A 11 25.743 6.783 6.142 1.00 0.00 C ATOM 168 NE ARG A 11 26.202 5.829 7.170 1.00 0.00 N ATOM 169 CZ ARG A 11 26.634 4.580 6.939 1.00 0.00 C ATOM 170 NH1 ARG A 11 26.488 4.010 5.743 1.00 0.00 N ATOM 171 NH2 ARG A 11 27.163 3.879 7.925 1.00 0.00 N ATOM 0 H ARG A 11 23.558 11.491 5.430 1.00 0.00 H new ATOM 0 HA ARG A 11 22.025 8.985 5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.037 8.386 4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 11 25.038 9.399 5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.586 7.869 7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.625 6.845 6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.549 6.248 5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.535 7.503 5.936 1.00 0.00 H new ATOM 0 HE ARG A 11 26.190 6.146 8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 11 26.041 4.524 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 11 26.823 3.059 5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 11 27.241 4.288 8.856 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.493 2.929 7.755 1.00 0.00 H new ATOM 185 N ARG A 12 22.468 9.143 8.423 1.00 0.00 N ATOM 186 CA ARG A 12 22.544 9.306 9.889 1.00 0.00 C ATOM 187 C ARG A 12 22.596 7.920 10.559 1.00 0.00 C ATOM 188 O ARG A 12 22.293 6.903 9.920 1.00 0.00 O ATOM 189 CB ARG A 12 21.327 10.119 10.427 1.00 0.00 C ATOM 190 CG ARG A 12 19.976 9.370 10.428 1.00 0.00 C ATOM 191 CD ARG A 12 18.792 10.264 10.853 1.00 0.00 C ATOM 192 NE ARG A 12 18.925 10.804 12.215 1.00 0.00 N ATOM 193 CZ ARG A 12 18.061 11.654 12.799 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.953 12.058 12.173 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.301 12.080 14.021 1.00 0.00 N ATOM 0 H ARG A 12 21.975 8.297 8.138 1.00 0.00 H new ATOM 0 HA ARG A 12 23.450 9.861 10.130 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.547 10.438 11.446 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.221 11.022 9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.786 8.974 9.431 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.040 8.516 11.103 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.701 11.092 10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.869 9.687 10.788 1.00 0.00 H new ATOM 0 HE ARG A 12 19.736 10.511 12.759 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.747 11.722 11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.312 12.703 12.636 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.136 11.766 14.516 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.652 12.725 14.473 1.00 0.00 H new ATOM 209 N VAL A 13 22.999 7.895 11.839 1.00 0.00 N ATOM 210 CA VAL A 13 22.907 6.702 12.688 1.00 0.00 C ATOM 211 C VAL A 13 21.929 7.013 13.838 1.00 0.00 C ATOM 212 O VAL A 13 22.240 7.813 14.728 1.00 0.00 O ATOM 213 CB VAL A 13 24.301 6.240 13.265 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.150 4.946 14.117 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.335 6.040 12.129 1.00 0.00 C ATOM 0 H VAL A 13 23.399 8.705 12.313 1.00 0.00 H new ATOM 0 HA VAL A 13 22.549 5.874 12.076 1.00 0.00 H new ATOM 0 HB VAL A 13 24.671 7.030 13.918 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.125 4.649 14.503 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.473 5.136 14.950 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.747 4.146 13.496 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.287 5.722 12.555 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.974 5.278 11.438 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.473 6.979 11.593 1.00 0.00 H new ATOM 225 N VAL A 14 20.734 6.395 13.781 1.00 0.00 N ATOM 226 CA VAL A 14 19.701 6.517 14.823 1.00 0.00 C ATOM 227 C VAL A 14 19.897 5.389 15.843 1.00 0.00 C ATOM 228 O VAL A 14 19.671 4.218 15.517 1.00 0.00 O ATOM 229 CB VAL A 14 18.250 6.460 14.215 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.151 6.517 15.313 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.065 7.590 13.187 1.00 0.00 C ATOM 0 H VAL A 14 20.458 5.793 13.005 1.00 0.00 H new ATOM 0 HA VAL A 14 19.806 7.487 15.309 1.00 0.00 H new ATOM 0 HB VAL A 14 18.138 5.500 13.710 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.167 6.475 14.846 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.268 5.670 15.989 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.246 7.446 15.875 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.058 7.543 12.772 1.00 0.00 H new ATOM 0 HG22 VAL A 14 18.211 8.554 13.675 1.00 0.00 H new ATOM 0 HG23 VAL A 14 18.794 7.475 12.385 1.00 0.00 H new ATOM 241 N ASN A 15 20.335 5.769 17.057 1.00 0.00 N ATOM 242 CA ASN A 15 20.656 4.846 18.171 1.00 0.00 C ATOM 243 C ASN A 15 21.886 3.974 17.837 1.00 0.00 C ATOM 244 O ASN A 15 22.980 4.193 18.372 1.00 0.00 O ATOM 245 CB ASN A 15 19.427 3.967 18.571 1.00 0.00 C ATOM 246 CG ASN A 15 18.181 4.776 18.977 1.00 0.00 C ATOM 247 OD1 ASN A 15 17.048 4.367 18.712 1.00 0.00 O ATOM 248 ND2 ASN A 15 18.369 5.904 19.652 1.00 0.00 N ATOM 0 H ASN A 15 20.480 6.749 17.301 1.00 0.00 H new ATOM 0 HA ASN A 15 20.907 5.459 19.037 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.169 3.319 17.733 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.712 3.319 19.400 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.567 6.452 19.963 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.316 6.222 19.860 1.00 0.00 H new ATOM 255 N GLY A 16 21.691 3.001 16.942 1.00 0.00 N ATOM 256 CA GLY A 16 22.763 2.143 16.438 1.00 0.00 C ATOM 257 C GLY A 16 22.367 1.483 15.124 1.00 0.00 C ATOM 258 O GLY A 16 22.742 0.332 14.854 1.00 0.00 O ATOM 0 H GLY A 16 20.776 2.786 16.545 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.668 2.734 16.293 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.997 1.377 17.177 1.00 0.00 H new ATOM 262 N LYS A 17 21.591 2.224 14.301 1.00 0.00 N ATOM 263 CA LYS A 17 21.153 1.768 12.960 1.00 0.00 C ATOM 264 C LYS A 17 21.432 2.872 11.922 1.00 0.00 C ATOM 265 O LYS A 17 21.417 4.051 12.265 1.00 0.00 O ATOM 266 CB LYS A 17 19.628 1.407 12.966 1.00 0.00 C ATOM 267 CG LYS A 17 18.654 2.573 12.631 1.00 0.00 C ATOM 268 CD LYS A 17 17.161 2.204 12.824 1.00 0.00 C ATOM 269 CE LYS A 17 16.735 0.967 12.009 1.00 0.00 C ATOM 270 NZ LYS A 17 15.325 0.568 12.276 1.00 0.00 N ATOM 0 H LYS A 17 21.251 3.154 14.546 1.00 0.00 H new ATOM 0 HA LYS A 17 21.714 0.872 12.695 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.462 0.603 12.249 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.371 1.015 13.950 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.893 3.429 13.262 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.813 2.884 11.598 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.972 2.018 13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.542 3.053 12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.855 1.177 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.396 0.134 12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.108 -0.307 11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.197 0.407 13.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.685 1.325 11.962 1.00 0.00 H new ATOM 284 N VAL A 18 21.663 2.487 10.659 1.00 0.00 N ATOM 285 CA VAL A 18 21.855 3.444 9.562 1.00 0.00 C ATOM 286 C VAL A 18 20.502 3.771 8.898 1.00 0.00 C ATOM 287 O VAL A 18 19.722 2.868 8.571 1.00 0.00 O ATOM 288 CB VAL A 18 22.853 2.895 8.482 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.025 3.894 7.312 1.00 0.00 C ATOM 290 CG2 VAL A 18 24.221 2.540 9.117 1.00 0.00 C ATOM 0 H VAL A 18 21.722 1.510 10.371 1.00 0.00 H new ATOM 0 HA VAL A 18 22.283 4.351 9.989 1.00 0.00 H new ATOM 0 HB VAL A 18 22.425 1.980 8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.722 3.483 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.060 4.066 6.835 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.414 4.838 7.694 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.893 2.162 8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.654 3.432 9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 18 24.080 1.776 9.882 1.00 0.00 H new ATOM 300 N GLU A 19 20.226 5.075 8.738 1.00 0.00 N ATOM 301 CA GLU A 19 19.091 5.579 7.949 1.00 0.00 C ATOM 302 C GLU A 19 19.595 6.558 6.885 1.00 0.00 C ATOM 303 O GLU A 19 20.588 7.262 7.093 1.00 0.00 O ATOM 304 CB GLU A 19 18.035 6.270 8.844 1.00 0.00 C ATOM 305 CG GLU A 19 17.545 5.409 10.027 1.00 0.00 C ATOM 306 CD GLU A 19 16.173 5.837 10.575 1.00 0.00 C ATOM 307 OE1 GLU A 19 15.926 7.051 10.709 1.00 0.00 O ATOM 308 OE2 GLU A 19 15.336 4.963 10.876 1.00 0.00 O ATOM 0 H GLU A 19 20.789 5.815 9.156 1.00 0.00 H new ATOM 0 HA GLU A 19 18.612 4.727 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.456 7.197 9.234 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.178 6.544 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.491 4.368 9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.280 5.460 10.831 1.00 0.00 H new ATOM 315 N TYR A 20 18.887 6.599 5.753 1.00 0.00 N ATOM 316 CA TYR A 20 19.220 7.445 4.602 1.00 0.00 C ATOM 317 C TYR A 20 18.028 8.366 4.260 1.00 0.00 C ATOM 318 O TYR A 20 16.889 7.903 4.178 1.00 0.00 O ATOM 319 CB TYR A 20 19.565 6.560 3.382 1.00 0.00 C ATOM 320 CG TYR A 20 20.859 5.732 3.524 1.00 0.00 C ATOM 321 CD1 TYR A 20 22.113 6.313 3.319 1.00 0.00 C ATOM 322 CD2 TYR A 20 20.825 4.372 3.840 1.00 0.00 C ATOM 323 CE1 TYR A 20 23.274 5.569 3.419 1.00 0.00 C ATOM 324 CE2 TYR A 20 21.983 3.632 3.942 1.00 0.00 C ATOM 325 CZ TYR A 20 23.204 4.234 3.728 1.00 0.00 C ATOM 326 OH TYR A 20 24.363 3.493 3.827 1.00 0.00 O ATOM 0 H TYR A 20 18.050 6.034 5.607 1.00 0.00 H new ATOM 0 HA TYR A 20 20.084 8.061 4.853 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.734 5.879 3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.654 7.198 2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 20 22.177 7.364 3.078 1.00 0.00 H new ATOM 0 HD2 TYR A 20 19.873 3.891 4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 20 24.233 6.037 3.254 1.00 0.00 H new ATOM 0 HE2 TYR A 20 21.934 2.582 4.189 1.00 0.00 H new ATOM 0 HH TYR A 20 24.140 2.566 4.053 1.00 0.00 H new ATOM 336 N PHE A 21 18.316 9.663 4.061 1.00 0.00 N ATOM 337 CA PHE A 21 17.322 10.684 3.700 1.00 0.00 C ATOM 338 C PHE A 21 17.005 10.557 2.210 1.00 0.00 C ATOM 339 O PHE A 21 17.851 10.853 1.365 1.00 0.00 O ATOM 340 CB PHE A 21 17.882 12.096 4.028 1.00 0.00 C ATOM 341 CG PHE A 21 16.899 13.246 3.822 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.933 13.537 4.784 1.00 0.00 C ATOM 343 CD2 PHE A 21 16.942 14.039 2.677 1.00 0.00 C ATOM 344 CE1 PHE A 21 15.048 14.579 4.608 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.054 15.083 2.502 1.00 0.00 C ATOM 346 CZ PHE A 21 15.107 15.351 3.466 1.00 0.00 C ATOM 0 H PHE A 21 19.261 10.036 4.148 1.00 0.00 H new ATOM 0 HA PHE A 21 16.406 10.539 4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.216 12.105 5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.761 12.274 3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.877 12.937 5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.680 13.835 1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.308 14.791 5.365 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.102 15.689 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.411 16.165 3.328 1.00 0.00 H new ATOM 356 N LEU A 22 15.797 10.086 1.907 1.00 0.00 N ATOM 357 CA LEU A 22 15.362 9.833 0.538 1.00 0.00 C ATOM 358 C LEU A 22 14.728 11.076 -0.076 1.00 0.00 C ATOM 359 O LEU A 22 13.800 11.653 0.502 1.00 0.00 O ATOM 360 CB LEU A 22 14.341 8.678 0.494 1.00 0.00 C ATOM 361 CG LEU A 22 14.834 7.282 0.976 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.825 6.204 0.547 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.266 6.960 0.482 1.00 0.00 C ATOM 0 H LEU A 22 15.090 9.869 2.609 1.00 0.00 H new ATOM 0 HA LEU A 22 16.247 9.561 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.481 8.962 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.987 8.577 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 22 14.892 7.297 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.171 5.227 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.853 6.418 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.735 6.201 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.563 5.976 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.285 6.966 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.959 7.711 0.861 1.00 0.00 H new ATOM 375 N LYS A 23 15.249 11.471 -1.241 1.00 0.00 N ATOM 376 CA LYS A 23 14.567 12.375 -2.153 1.00 0.00 C ATOM 377 C LYS A 23 13.554 11.507 -2.913 1.00 0.00 C ATOM 378 O LYS A 23 13.963 10.692 -3.722 1.00 0.00 O ATOM 379 CB LYS A 23 15.586 13.045 -3.138 1.00 0.00 C ATOM 380 CG LYS A 23 15.134 14.399 -3.745 1.00 0.00 C ATOM 381 CD LYS A 23 13.851 14.312 -4.602 1.00 0.00 C ATOM 382 CE LYS A 23 13.409 15.681 -5.145 1.00 0.00 C ATOM 383 NZ LYS A 23 14.432 16.284 -6.034 1.00 0.00 N ATOM 0 H LYS A 23 16.164 11.166 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 23 14.075 13.189 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.527 13.199 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.788 12.350 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.969 15.110 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.942 14.797 -4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.021 13.632 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.046 13.886 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.474 15.569 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.211 16.355 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.042 17.137 -6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.270 16.541 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.702 15.598 -6.768 1.00 0.00 H new ATOM 397 N TRP A 24 12.258 11.649 -2.615 1.00 0.00 N ATOM 398 CA TRP A 24 11.202 10.864 -3.275 1.00 0.00 C ATOM 399 C TRP A 24 10.996 11.336 -4.726 1.00 0.00 C ATOM 400 O TRP A 24 10.915 12.543 -4.985 1.00 0.00 O ATOM 401 CB TRP A 24 9.885 10.959 -2.480 1.00 0.00 C ATOM 402 CG TRP A 24 9.981 10.434 -1.072 1.00 0.00 C ATOM 403 CD1 TRP A 24 9.958 11.163 0.075 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.115 9.068 -0.667 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.076 10.346 1.165 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.171 9.054 0.734 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.197 7.859 -1.353 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.305 7.885 1.465 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.320 6.691 -0.627 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.366 6.713 0.769 1.00 0.00 C ATOM 0 H TRP A 24 11.910 12.305 -1.916 1.00 0.00 H new ATOM 0 HA TRP A 24 11.516 9.820 -3.300 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.566 12.001 -2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.111 10.405 -3.011 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.860 12.238 0.119 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.091 10.651 2.138 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.165 7.835 -2.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.359 7.901 2.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.382 5.746 -1.146 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.452 5.782 1.309 1.00 0.00 H new ATOM 421 N LYS A 25 10.904 10.362 -5.646 1.00 0.00 N ATOM 422 CA LYS A 25 10.854 10.606 -7.093 1.00 0.00 C ATOM 423 C LYS A 25 9.523 11.256 -7.500 1.00 0.00 C ATOM 424 O LYS A 25 9.499 12.378 -8.007 1.00 0.00 O ATOM 425 CB LYS A 25 11.053 9.269 -7.855 1.00 0.00 C ATOM 426 CG LYS A 25 11.251 9.425 -9.373 1.00 0.00 C ATOM 427 CD LYS A 25 11.384 8.073 -10.107 1.00 0.00 C ATOM 428 CE LYS A 25 11.488 8.234 -11.630 1.00 0.00 C ATOM 429 NZ LYS A 25 10.364 9.034 -12.174 1.00 0.00 N ATOM 0 H LYS A 25 10.862 9.373 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 25 11.657 11.295 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.919 8.753 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.187 8.632 -7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.408 9.976 -9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.144 10.022 -9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.267 7.550 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.522 7.449 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.433 8.716 -11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.496 7.251 -12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.309 8.900 -13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.473 8.724 -11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.521 10.040 -11.964 1.00 0.00 H new ATOM 443 N GLY A 26 8.418 10.538 -7.238 1.00 0.00 N ATOM 444 CA GLY A 26 7.078 10.978 -7.641 1.00 0.00 C ATOM 445 C GLY A 26 6.309 11.666 -6.524 1.00 0.00 C ATOM 446 O GLY A 26 5.084 11.551 -6.443 1.00 0.00 O ATOM 0 H GLY A 26 8.431 9.645 -6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.166 11.661 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.509 10.115 -7.987 1.00 0.00 H new ATOM 450 N PHE A 27 7.042 12.377 -5.652 1.00 0.00 N ATOM 451 CA PHE A 27 6.468 13.190 -4.549 1.00 0.00 C ATOM 452 C PHE A 27 7.220 14.534 -4.483 1.00 0.00 C ATOM 453 O PHE A 27 8.317 14.653 -5.045 1.00 0.00 O ATOM 454 CB PHE A 27 6.587 12.441 -3.192 1.00 0.00 C ATOM 455 CG PHE A 27 5.892 11.069 -3.147 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.555 10.955 -2.767 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.574 9.892 -3.489 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.926 9.717 -2.722 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.943 8.660 -3.446 1.00 0.00 C ATOM 460 CZ PHE A 27 4.620 8.575 -3.063 1.00 0.00 C ATOM 0 H PHE A 27 8.061 12.409 -5.687 1.00 0.00 H new ATOM 0 HA PHE A 27 5.410 13.365 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.643 12.305 -2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.167 13.071 -2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.000 11.843 -2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.609 9.948 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.892 9.649 -2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.486 7.766 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.128 7.614 -3.030 1.00 0.00 H new ATOM 470 N THR A 28 6.637 15.531 -3.779 1.00 0.00 N ATOM 471 CA THR A 28 7.188 16.905 -3.714 1.00 0.00 C ATOM 472 C THR A 28 8.466 16.967 -2.839 1.00 0.00 C ATOM 473 O THR A 28 8.766 16.036 -2.080 1.00 0.00 O ATOM 474 CB THR A 28 6.102 17.938 -3.235 1.00 0.00 C ATOM 475 OG1 THR A 28 6.606 19.281 -3.324 1.00 0.00 O ATOM 476 CG2 THR A 28 5.609 17.673 -1.807 1.00 0.00 C ATOM 0 H THR A 28 5.778 15.408 -3.243 1.00 0.00 H new ATOM 0 HA THR A 28 7.479 17.188 -4.726 1.00 0.00 H new ATOM 0 HB THR A 28 5.250 17.813 -3.904 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.917 19.910 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.862 18.419 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.165 16.679 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.449 17.733 -1.115 1.00 0.00 H new ATOM 484 N ASP A 29 9.210 18.080 -2.969 1.00 0.00 N ATOM 485 CA ASP A 29 10.599 18.200 -2.475 1.00 0.00 C ATOM 486 C ASP A 29 10.677 18.311 -0.931 1.00 0.00 C ATOM 487 O ASP A 29 11.531 17.695 -0.303 1.00 0.00 O ATOM 488 CB ASP A 29 11.272 19.427 -3.141 1.00 0.00 C ATOM 489 CG ASP A 29 12.813 19.390 -3.070 1.00 0.00 C ATOM 490 OD1 ASP A 29 13.391 19.760 -2.031 1.00 0.00 O ATOM 491 OD2 ASP A 29 13.454 18.995 -4.066 1.00 0.00 O ATOM 0 H ASP A 29 8.866 18.927 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 29 11.129 17.287 -2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.964 19.479 -4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.914 20.336 -2.657 1.00 0.00 H new ATOM 496 N ALA A 30 9.785 19.115 -0.332 1.00 0.00 N ATOM 497 CA ALA A 30 9.748 19.330 1.143 1.00 0.00 C ATOM 498 C ALA A 30 9.159 18.108 1.889 1.00 0.00 C ATOM 499 O ALA A 30 9.248 18.022 3.117 1.00 0.00 O ATOM 500 CB ALA A 30 8.983 20.619 1.486 1.00 0.00 C ATOM 0 H ALA A 30 9.070 19.635 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 30 10.776 19.445 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.968 20.756 2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.477 21.471 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.961 20.545 1.116 1.00 0.00 H new ATOM 506 N ASP A 31 8.523 17.195 1.130 1.00 0.00 N ATOM 507 CA ASP A 31 7.912 15.952 1.658 1.00 0.00 C ATOM 508 C ASP A 31 8.969 14.848 1.911 1.00 0.00 C ATOM 509 O ASP A 31 8.669 13.836 2.558 1.00 0.00 O ATOM 510 CB ASP A 31 6.832 15.476 0.643 1.00 0.00 C ATOM 511 CG ASP A 31 6.187 14.108 0.951 1.00 0.00 C ATOM 512 OD1 ASP A 31 5.421 14.003 1.935 1.00 0.00 O ATOM 513 OD2 ASP A 31 6.426 13.145 0.199 1.00 0.00 O ATOM 0 H ASP A 31 8.416 17.298 0.121 1.00 0.00 H new ATOM 0 HA ASP A 31 7.453 16.158 2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.044 16.228 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.285 15.430 -0.347 1.00 0.00 H new ATOM 518 N ASN A 32 10.207 15.063 1.424 1.00 0.00 N ATOM 519 CA ASN A 32 11.285 14.052 1.482 1.00 0.00 C ATOM 520 C ASN A 32 11.710 13.729 2.934 1.00 0.00 C ATOM 521 O ASN A 32 11.863 14.636 3.755 1.00 0.00 O ATOM 522 CB ASN A 32 12.478 14.510 0.612 1.00 0.00 C ATOM 523 CG ASN A 32 12.120 14.743 -0.877 1.00 0.00 C ATOM 524 OD1 ASN A 32 11.044 14.135 -1.382 1.00 0.00 O flip ATOM 525 ND2 ASN A 32 12.801 15.488 -1.574 1.00 0.00 N flip ATOM 0 H ASN A 32 10.489 15.938 0.981 1.00 0.00 H new ATOM 0 HA ASN A 32 10.900 13.117 1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.883 15.433 1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.267 13.760 0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.621 15.948 -1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.547 15.648 -2.549 1.00 0.00 H new ATOM 532 N THR A 33 11.892 12.421 3.238 1.00 0.00 N ATOM 533 CA THR A 33 11.994 11.914 4.634 1.00 0.00 C ATOM 534 C THR A 33 13.103 10.840 4.792 1.00 0.00 C ATOM 535 O THR A 33 13.559 10.248 3.809 1.00 0.00 O ATOM 536 CB THR A 33 10.618 11.305 5.112 1.00 0.00 C ATOM 537 OG1 THR A 33 10.102 10.405 4.119 1.00 0.00 O ATOM 538 CG2 THR A 33 9.552 12.378 5.420 1.00 0.00 C ATOM 0 H THR A 33 11.972 11.690 2.531 1.00 0.00 H new ATOM 0 HA THR A 33 12.256 12.771 5.254 1.00 0.00 H new ATOM 0 HB THR A 33 10.827 10.774 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.265 9.480 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.631 11.893 5.743 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.914 13.034 6.212 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.357 12.966 4.523 1.00 0.00 H new ATOM 546 N TRP A 34 13.508 10.608 6.060 1.00 0.00 N ATOM 547 CA TRP A 34 14.494 9.578 6.449 1.00 0.00 C ATOM 548 C TRP A 34 13.849 8.182 6.494 1.00 0.00 C ATOM 549 O TRP A 34 12.887 7.971 7.237 1.00 0.00 O ATOM 550 CB TRP A 34 15.069 9.874 7.857 1.00 0.00 C ATOM 551 CG TRP A 34 15.902 11.119 7.953 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.501 12.366 8.330 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.297 11.206 7.680 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.570 13.223 8.303 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.683 12.535 7.899 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.253 10.282 7.266 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.993 12.956 7.732 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.545 10.703 7.083 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.908 12.032 7.313 1.00 0.00 C ATOM 0 H TRP A 34 13.153 11.140 6.854 1.00 0.00 H new ATOM 0 HA TRP A 34 15.287 9.600 5.701 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.241 9.953 8.562 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.675 9.024 8.172 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.493 12.638 8.608 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.541 14.214 8.545 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.981 9.251 7.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 19.280 13.979 7.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.293 9.996 6.756 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.933 12.335 7.156 1.00 0.00 H new ATOM 570 N GLU A 35 14.399 7.232 5.727 1.00 0.00 N ATOM 571 CA GLU A 35 14.001 5.816 5.797 1.00 0.00 C ATOM 572 C GLU A 35 15.240 4.964 6.143 1.00 0.00 C ATOM 573 O GLU A 35 16.300 5.177 5.553 1.00 0.00 O ATOM 574 CB GLU A 35 13.396 5.331 4.452 1.00 0.00 C ATOM 575 CG GLU A 35 12.240 6.182 3.894 1.00 0.00 C ATOM 576 CD GLU A 35 11.091 6.408 4.885 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.635 5.430 5.510 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.626 7.565 5.032 1.00 0.00 O ATOM 0 H GLU A 35 15.131 7.420 5.042 1.00 0.00 H new ATOM 0 HA GLU A 35 13.237 5.708 6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.191 5.299 3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.040 4.309 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.633 7.150 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.845 5.697 3.001 1.00 0.00 H new ATOM 585 N PRO A 36 15.129 3.982 7.094 1.00 0.00 N ATOM 586 CA PRO A 36 16.243 3.049 7.407 1.00 0.00 C ATOM 587 C PRO A 36 16.566 2.136 6.204 1.00 0.00 C ATOM 588 O PRO A 36 15.707 1.908 5.349 1.00 0.00 O ATOM 589 CB PRO A 36 15.714 2.249 8.627 1.00 0.00 C ATOM 590 CG PRO A 36 14.223 2.350 8.537 1.00 0.00 C ATOM 591 CD PRO A 36 13.931 3.706 7.929 1.00 0.00 C ATOM 0 HA PRO A 36 17.182 3.559 7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.042 1.210 8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.082 2.667 9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.815 1.550 7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.766 2.258 9.522 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.021 3.689 7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.793 4.468 8.696 1.00 0.00 H new ATOM 599 N GLU A 37 17.808 1.630 6.159 1.00 0.00 N ATOM 600 CA GLU A 37 18.302 0.754 5.068 1.00 0.00 C ATOM 601 C GLU A 37 17.445 -0.533 4.904 1.00 0.00 C ATOM 602 O GLU A 37 17.361 -1.097 3.804 1.00 0.00 O ATOM 603 CB GLU A 37 19.830 0.433 5.263 1.00 0.00 C ATOM 604 CG GLU A 37 20.297 0.160 6.717 1.00 0.00 C ATOM 605 CD GLU A 37 19.526 -0.950 7.447 1.00 0.00 C ATOM 606 OE1 GLU A 37 19.750 -2.136 7.143 1.00 0.00 O ATOM 607 OE2 GLU A 37 18.670 -0.637 8.310 1.00 0.00 O ATOM 0 H GLU A 37 18.507 1.814 6.879 1.00 0.00 H new ATOM 0 HA GLU A 37 18.194 1.302 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.076 -0.438 4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.408 1.269 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.355 -0.103 6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.207 1.082 7.291 1.00 0.00 H new ATOM 614 N GLU A 38 16.796 -0.958 6.003 1.00 0.00 N ATOM 615 CA GLU A 38 15.919 -2.139 6.021 1.00 0.00 C ATOM 616 C GLU A 38 14.604 -1.859 5.259 1.00 0.00 C ATOM 617 O GLU A 38 13.979 -2.776 4.733 1.00 0.00 O ATOM 618 CB GLU A 38 15.610 -2.566 7.478 1.00 0.00 C ATOM 619 CG GLU A 38 14.897 -1.489 8.317 1.00 0.00 C ATOM 620 CD GLU A 38 14.455 -1.993 9.694 1.00 0.00 C ATOM 621 OE1 GLU A 38 13.324 -2.508 9.817 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.233 -1.874 10.663 1.00 0.00 O ATOM 0 H GLU A 38 16.866 -0.489 6.906 1.00 0.00 H new ATOM 0 HA GLU A 38 16.442 -2.954 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.991 -3.463 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.544 -2.835 7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.564 -0.637 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.024 -1.131 7.771 1.00 0.00 H new ATOM 629 N ASN A 39 14.195 -0.576 5.231 1.00 0.00 N ATOM 630 CA ASN A 39 12.991 -0.109 4.510 1.00 0.00 C ATOM 631 C ASN A 39 13.318 0.265 3.051 1.00 0.00 C ATOM 632 O ASN A 39 12.405 0.376 2.223 1.00 0.00 O ATOM 633 CB ASN A 39 12.357 1.108 5.248 1.00 0.00 C ATOM 634 CG ASN A 39 11.567 0.738 6.512 1.00 0.00 C ATOM 635 OD1 ASN A 39 11.892 -0.220 7.216 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.516 1.496 6.807 1.00 0.00 N ATOM 0 H ASN A 39 14.694 0.173 5.711 1.00 0.00 H new ATOM 0 HA ASN A 39 12.273 -0.929 4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.149 1.806 5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.694 1.631 4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.955 1.291 7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.270 2.283 6.206 1.00 0.00 H new ATOM 643 N LEU A 40 14.618 0.450 2.744 1.00 0.00 N ATOM 644 CA LEU A 40 15.073 0.824 1.390 1.00 0.00 C ATOM 645 C LEU A 40 15.051 -0.394 0.466 1.00 0.00 C ATOM 646 O LEU A 40 15.655 -1.424 0.776 1.00 0.00 O ATOM 647 CB LEU A 40 16.503 1.434 1.417 1.00 0.00 C ATOM 648 CG LEU A 40 16.711 2.667 2.347 1.00 0.00 C ATOM 649 CD1 LEU A 40 18.058 3.357 2.085 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.556 3.656 2.231 1.00 0.00 C ATOM 0 H LEU A 40 15.375 0.346 3.420 1.00 0.00 H new ATOM 0 HA LEU A 40 14.386 1.580 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.202 0.655 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.771 1.723 0.401 1.00 0.00 H new ATOM 0 HG LEU A 40 16.728 2.295 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.165 4.212 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.869 2.652 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.097 3.698 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.735 4.503 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.481 4.009 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.626 3.164 2.514 1.00 0.00 H new ATOM 662 N ASP A 41 14.344 -0.267 -0.663 1.00 0.00 N ATOM 663 CA ASP A 41 14.303 -1.301 -1.713 1.00 0.00 C ATOM 664 C ASP A 41 15.005 -0.743 -2.976 1.00 0.00 C ATOM 665 O ASP A 41 14.771 -1.189 -4.098 1.00 0.00 O ATOM 666 CB ASP A 41 12.817 -1.704 -1.981 1.00 0.00 C ATOM 667 CG ASP A 41 12.666 -2.968 -2.850 1.00 0.00 C ATOM 668 OD1 ASP A 41 13.264 -4.008 -2.497 1.00 0.00 O ATOM 669 OD2 ASP A 41 11.959 -2.931 -3.886 1.00 0.00 O ATOM 0 H ASP A 41 13.782 0.556 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 41 14.831 -2.204 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.316 -1.868 -1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.307 -0.874 -2.470 1.00 0.00 H new ATOM 674 N CYS A 42 15.903 0.243 -2.759 1.00 0.00 N ATOM 675 CA CYS A 42 16.618 0.944 -3.834 1.00 0.00 C ATOM 676 C CYS A 42 18.149 0.780 -3.657 1.00 0.00 C ATOM 677 O CYS A 42 18.793 1.603 -2.995 1.00 0.00 O ATOM 678 CB CYS A 42 16.205 2.429 -3.796 1.00 0.00 C ATOM 679 SG CYS A 42 16.455 3.232 -2.189 1.00 0.00 S ATOM 0 H CYS A 42 16.149 0.572 -1.826 1.00 0.00 H new ATOM 0 HA CYS A 42 16.358 0.520 -4.804 1.00 0.00 H new ATOM 0 HB2 CYS A 42 16.772 2.971 -4.552 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.153 2.509 -4.069 1.00 0.00 H new ATOM 0 HG CYS A 42 17.618 2.898 -1.713 1.00 0.00 H new ATOM 685 N PRO A 43 18.756 -0.306 -4.244 1.00 0.00 N ATOM 686 CA PRO A 43 20.210 -0.602 -4.099 1.00 0.00 C ATOM 687 C PRO A 43 21.129 0.459 -4.748 1.00 0.00 C ATOM 688 O PRO A 43 22.077 0.947 -4.119 1.00 0.00 O ATOM 689 CB PRO A 43 20.370 -1.986 -4.798 1.00 0.00 C ATOM 690 CG PRO A 43 18.983 -2.551 -4.854 1.00 0.00 C ATOM 691 CD PRO A 43 18.077 -1.362 -5.039 1.00 0.00 C ATOM 0 HA PRO A 43 20.512 -0.598 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 43 20.793 -1.878 -5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.040 -2.637 -4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 43 18.879 -3.257 -5.678 1.00 0.00 H new ATOM 0 HG3 PRO A 43 18.741 -3.091 -3.939 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.985 -1.082 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.070 -1.560 -4.673 1.00 0.00 H new ATOM 699 N GLU A 44 20.807 0.819 -6.011 1.00 0.00 N ATOM 700 CA GLU A 44 21.641 1.719 -6.850 1.00 0.00 C ATOM 701 C GLU A 44 21.731 3.132 -6.268 1.00 0.00 C ATOM 702 O GLU A 44 22.713 3.835 -6.487 1.00 0.00 O ATOM 703 CB GLU A 44 21.072 1.810 -8.288 1.00 0.00 C ATOM 704 CG GLU A 44 20.886 0.455 -8.972 1.00 0.00 C ATOM 705 CD GLU A 44 20.394 0.570 -10.424 1.00 0.00 C ATOM 706 OE1 GLU A 44 19.172 0.741 -10.642 1.00 0.00 O ATOM 707 OE2 GLU A 44 21.223 0.485 -11.351 1.00 0.00 O ATOM 0 H GLU A 44 19.961 0.495 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 44 22.641 1.286 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.111 2.324 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 44 21.740 2.422 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 44 21.833 -0.084 -8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.173 -0.138 -8.400 1.00 0.00 H new ATOM 714 N LEU A 45 20.679 3.537 -5.558 1.00 0.00 N ATOM 715 CA LEU A 45 20.560 4.886 -4.985 1.00 0.00 C ATOM 716 C LEU A 45 21.401 5.029 -3.705 1.00 0.00 C ATOM 717 O LEU A 45 21.969 6.101 -3.443 1.00 0.00 O ATOM 718 CB LEU A 45 19.074 5.203 -4.734 1.00 0.00 C ATOM 719 CG LEU A 45 18.153 5.095 -5.992 1.00 0.00 C ATOM 720 CD1 LEU A 45 16.729 5.566 -5.667 1.00 0.00 C ATOM 721 CD2 LEU A 45 18.742 5.851 -7.210 1.00 0.00 C ATOM 0 H LEU A 45 19.878 2.938 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 45 20.956 5.612 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.698 4.525 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.997 6.213 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 45 18.102 4.043 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.106 5.482 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.313 4.946 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.755 6.605 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.069 5.749 -8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.857 6.906 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.715 5.430 -7.464 1.00 0.00 H new ATOM 733 N ILE A 46 21.466 3.937 -2.915 1.00 0.00 N ATOM 734 CA ILE A 46 22.369 3.848 -1.751 1.00 0.00 C ATOM 735 C ILE A 46 23.824 3.879 -2.250 1.00 0.00 C ATOM 736 O ILE A 46 24.649 4.643 -1.746 1.00 0.00 O ATOM 737 CB ILE A 46 22.125 2.528 -0.924 1.00 0.00 C ATOM 738 CG1 ILE A 46 20.639 2.430 -0.454 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.085 2.441 0.288 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.270 1.118 0.233 1.00 0.00 C ATOM 0 H ILE A 46 20.900 3.101 -3.064 1.00 0.00 H new ATOM 0 HA ILE A 46 22.169 4.694 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 46 22.333 1.684 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.434 3.253 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 46 19.989 2.566 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 46 22.893 1.520 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.117 2.445 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 46 22.922 3.297 0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.220 1.142 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.437 0.288 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.889 0.985 1.120 1.00 0.00 H new ATOM 752 N GLU A 47 24.085 3.050 -3.277 1.00 0.00 N ATOM 753 CA GLU A 47 25.388 2.957 -3.955 1.00 0.00 C ATOM 754 C GLU A 47 25.830 4.322 -4.496 1.00 0.00 C ATOM 755 O GLU A 47 26.964 4.702 -4.303 1.00 0.00 O ATOM 756 CB GLU A 47 25.319 1.948 -5.133 1.00 0.00 C ATOM 757 CG GLU A 47 26.586 1.882 -6.012 1.00 0.00 C ATOM 758 CD GLU A 47 26.407 1.009 -7.262 1.00 0.00 C ATOM 759 OE1 GLU A 47 25.717 1.451 -8.209 1.00 0.00 O ATOM 760 OE2 GLU A 47 26.955 -0.111 -7.312 1.00 0.00 O ATOM 0 H GLU A 47 23.385 2.417 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 47 26.114 2.613 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.123 0.955 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.470 2.208 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.862 2.891 -6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.413 1.491 -5.419 1.00 0.00 H new ATOM 767 N ALA A 48 24.904 5.038 -5.159 1.00 0.00 N ATOM 768 CA ALA A 48 25.177 6.339 -5.822 1.00 0.00 C ATOM 769 C ALA A 48 25.615 7.399 -4.794 1.00 0.00 C ATOM 770 O ALA A 48 26.491 8.230 -5.062 1.00 0.00 O ATOM 771 CB ALA A 48 23.936 6.830 -6.596 1.00 0.00 C ATOM 0 H ALA A 48 23.935 4.733 -5.254 1.00 0.00 H new ATOM 0 HA ALA A 48 25.992 6.188 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.159 7.784 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.668 6.097 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.103 6.956 -5.905 1.00 0.00 H new ATOM 777 N PHE A 49 24.992 7.331 -3.613 1.00 0.00 N ATOM 778 CA PHE A 49 25.303 8.203 -2.472 1.00 0.00 C ATOM 779 C PHE A 49 26.710 7.891 -1.905 1.00 0.00 C ATOM 780 O PHE A 49 27.509 8.801 -1.650 1.00 0.00 O ATOM 781 CB PHE A 49 24.210 8.019 -1.396 1.00 0.00 C ATOM 782 CG PHE A 49 24.511 8.698 -0.070 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.507 10.085 0.041 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.820 7.945 1.063 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.798 10.693 1.242 1.00 0.00 C ATOM 786 CE2 PHE A 49 25.112 8.558 2.256 1.00 0.00 C ATOM 787 CZ PHE A 49 25.099 9.930 2.347 1.00 0.00 C ATOM 0 H PHE A 49 24.248 6.661 -3.419 1.00 0.00 H new ATOM 0 HA PHE A 49 25.315 9.243 -2.798 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.268 8.407 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.067 6.953 -1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.274 10.690 -0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.830 6.867 1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.790 11.770 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.352 7.962 3.124 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.325 10.410 3.288 1.00 0.00 H new ATOM 797 N LEU A 50 26.992 6.591 -1.723 1.00 0.00 N ATOM 798 CA LEU A 50 28.304 6.103 -1.238 1.00 0.00 C ATOM 799 C LEU A 50 29.389 6.307 -2.331 1.00 0.00 C ATOM 800 O LEU A 50 30.575 6.419 -2.032 1.00 0.00 O ATOM 801 CB LEU A 50 28.200 4.606 -0.814 1.00 0.00 C ATOM 802 CG LEU A 50 27.118 4.276 0.273 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.077 2.766 0.580 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.317 5.112 1.560 1.00 0.00 C ATOM 0 H LEU A 50 26.321 5.845 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 50 28.597 6.680 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 50 27.988 4.011 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.172 4.286 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 50 26.149 4.556 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.318 2.569 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.834 2.216 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.050 2.443 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.546 4.852 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.299 4.901 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.245 6.173 1.320 1.00 0.00 H new ATOM 816 N ASN A 51 28.943 6.374 -3.601 1.00 0.00 N ATOM 817 CA ASN A 51 29.809 6.570 -4.789 1.00 0.00 C ATOM 818 C ASN A 51 30.276 8.033 -4.859 1.00 0.00 C ATOM 819 O ASN A 51 31.320 8.341 -5.434 1.00 0.00 O ATOM 820 CB ASN A 51 29.043 6.184 -6.087 1.00 0.00 C ATOM 821 CG ASN A 51 29.916 6.102 -7.344 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.134 7.093 -8.045 1.00 0.00 O ATOM 823 ND2 ASN A 51 30.405 4.905 -7.643 1.00 0.00 N ATOM 0 H ASN A 51 27.954 6.292 -3.838 1.00 0.00 H new ATOM 0 HA ASN A 51 30.682 5.924 -4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 51 28.559 5.220 -5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 51 28.252 6.915 -6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 51 30.982 4.783 -8.476 1.00 0.00 H new ATOM 0 HD22 ASN A 51 30.204 4.107 -7.040 1.00 0.00 H new ATOM 830 N SER A 52 29.475 8.933 -4.264 1.00 0.00 N ATOM 831 CA SER A 52 29.837 10.353 -4.101 1.00 0.00 C ATOM 832 C SER A 52 30.940 10.512 -3.026 1.00 0.00 C ATOM 833 O SER A 52 31.725 11.465 -3.063 1.00 0.00 O ATOM 834 CB SER A 52 28.580 11.164 -3.721 1.00 0.00 C ATOM 835 OG SER A 52 27.520 10.921 -4.634 1.00 0.00 O ATOM 0 H SER A 52 28.559 8.698 -3.882 1.00 0.00 H new ATOM 0 HA SER A 52 30.232 10.733 -5.043 1.00 0.00 H new ATOM 0 HB2 SER A 52 28.263 10.899 -2.712 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.819 12.227 -3.711 1.00 0.00 H new ATOM 0 HG SER A 52 27.215 9.994 -4.542 1.00 0.00 H new ATOM 954 N GLN B 5 13.119 2.324 -8.739 1.00 0.00 N ATOM 955 CA GLN B 5 13.758 2.241 -7.428 1.00 0.00 C ATOM 956 C GLN B 5 12.850 2.854 -6.357 1.00 0.00 C ATOM 957 O GLN B 5 12.546 4.041 -6.392 1.00 0.00 O ATOM 958 CB GLN B 5 15.140 2.922 -7.474 1.00 0.00 C ATOM 959 CG GLN B 5 16.183 2.183 -8.332 1.00 0.00 C ATOM 960 CD GLN B 5 16.608 0.815 -7.767 1.00 0.00 C ATOM 961 OE1 GLN B 5 15.854 0.110 -7.096 1.00 0.00 O ATOM 962 NE2 GLN B 5 17.831 0.426 -8.039 1.00 0.00 N ATOM 0 HA GLN B 5 13.913 1.195 -7.162 1.00 0.00 H new ATOM 0 HB2 GLN B 5 15.020 3.934 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.522 3.012 -6.457 1.00 0.00 H new ATOM 0 HG2 GLN B 5 15.778 2.040 -9.334 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.067 2.813 -8.432 1.00 0.00 H new ATOM 0 HE21 GLN B 5 18.444 1.022 -8.596 1.00 0.00 H new ATOM 0 HE22 GLN B 5 18.169 -0.472 -7.693 1.00 0.00 H new ATOM 971 N THR B 6 12.446 2.016 -5.403 1.00 0.00 N ATOM 972 CA THR B 6 11.351 2.307 -4.476 1.00 0.00 C ATOM 973 C THR B 6 11.779 1.999 -3.027 1.00 0.00 C ATOM 974 O THR B 6 12.918 1.582 -2.769 1.00 0.00 O ATOM 975 CB THR B 6 10.081 1.480 -4.912 1.00 0.00 C ATOM 976 OG1 THR B 6 8.956 1.746 -4.052 1.00 0.00 O ATOM 977 CG2 THR B 6 10.365 -0.035 -4.952 1.00 0.00 C ATOM 0 H THR B 6 12.875 1.104 -5.250 1.00 0.00 H new ATOM 0 HA THR B 6 11.098 3.367 -4.510 1.00 0.00 H new ATOM 0 HB THR B 6 9.832 1.806 -5.922 1.00 0.00 H new ATOM 0 HG1 THR B 6 8.185 1.220 -4.350 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.463 -0.566 -5.257 1.00 0.00 H new ATOM 0 HG22 THR B 6 11.164 -0.237 -5.666 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.669 -0.375 -3.962 1.00 0.00 H new ATOM 985 N ALA B 7 10.861 2.245 -2.084 1.00 0.00 N ATOM 986 CA ALA B 7 11.089 2.041 -0.648 1.00 0.00 C ATOM 987 C ALA B 7 9.751 1.901 0.099 1.00 0.00 C ATOM 988 O ALA B 7 8.670 1.969 -0.497 1.00 0.00 O ATOM 989 CB ALA B 7 11.938 3.188 -0.071 1.00 0.00 C ATOM 0 H ALA B 7 9.928 2.596 -2.299 1.00 0.00 H new ATOM 0 HA ALA B 7 11.643 1.112 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.098 3.022 0.994 1.00 0.00 H new ATOM 0 HB2 ALA B 7 12.900 3.221 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.418 4.135 -0.216 1.00 0.00 H new ATOM 995 N ARG B 8 9.857 1.720 1.414 1.00 0.00 N ATOM 996 CA ARG B 8 8.737 1.417 2.319 1.00 0.00 C ATOM 997 C ARG B 8 8.816 2.394 3.504 1.00 0.00 C ATOM 998 O ARG B 8 9.885 2.550 4.081 1.00 0.00 O ATOM 999 CB ARG B 8 8.919 -0.062 2.763 1.00 0.00 C ATOM 1000 CG ARG B 8 7.802 -0.689 3.623 1.00 0.00 C ATOM 1001 CD ARG B 8 8.163 -2.141 4.007 1.00 0.00 C ATOM 1002 NE ARG B 8 7.130 -2.850 4.787 1.00 0.00 N ATOM 1003 CZ ARG B 8 7.328 -4.028 5.406 1.00 0.00 C ATOM 1004 NH1 ARG B 8 8.549 -4.571 5.463 1.00 0.00 N ATOM 1005 NH2 ARG B 8 6.317 -4.656 5.978 1.00 0.00 N ATOM 0 H ARG B 8 10.752 1.781 1.900 1.00 0.00 H new ATOM 0 HA ARG B 8 7.758 1.533 1.854 1.00 0.00 H new ATOM 0 HB2 ARG B 8 9.035 -0.671 1.866 1.00 0.00 H new ATOM 0 HB3 ARG B 8 9.853 -0.134 3.320 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.653 -0.095 4.525 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.861 -0.676 3.073 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.360 -2.705 3.095 1.00 0.00 H new ATOM 0 HD3 ARG B 8 9.089 -2.130 4.582 1.00 0.00 H new ATOM 0 HE ARG B 8 6.208 -2.420 4.861 1.00 0.00 H new ATOM 0 HH11 ARG B 8 9.341 -4.092 5.035 1.00 0.00 H new ATOM 0 HH12 ARG B 8 8.688 -5.465 5.935 1.00 0.00 H new ATOM 0 HH21 ARG B 8 5.382 -4.248 5.951 1.00 0.00 H new ATOM 0 HH22 ARG B 8 6.471 -5.549 6.446 1.00 0.00 H new