USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=9 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= 1.67 (180deg=0.849) USER MOD Single : A 20 TYR OH : rot 70:sc= -0.0458 USER MOD Single : A 23 LYS NZ :NH3+ -103:sc= 0.0363 (180deg=-0.637) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= 0.8 (180deg=0.462) USER MOD Single : A 28 THR OG1 : rot -80:sc= -0.7 USER MOD Single : A 32 ASN : amide:sc= -1.81! C(o=-1.8!,f=-2.3!) USER MOD Single : A 33 THR OG1 : rot 112:sc= 0.916 USER MOD Single : A 39 ASN : amide:sc= -1.01 K(o=-1,f=-4.9!) USER MOD Single : A 42 CYS SG : rot 45:sc= -1.91! USER MOD Single : A 51 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.8) USER MOD Single : A 52 SER OG : rot 66:sc= 0.861 USER MOD Single : B 5 GLN : amide:sc= -0.554 K(o=-0.55,f=-1.9) USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.157 USER MOD ----------------------------------------------------------------- ATOM 25 N PHE A 3 6.373 3.678 -1.542 1.00 0.00 N ATOM 26 CA PHE A 3 6.482 4.838 -2.439 1.00 0.00 C ATOM 27 C PHE A 3 7.825 4.806 -3.190 1.00 0.00 C ATOM 28 O PHE A 3 8.832 4.311 -2.667 1.00 0.00 O ATOM 29 CB PHE A 3 6.327 6.142 -1.611 1.00 0.00 C ATOM 30 CG PHE A 3 5.097 6.151 -0.706 1.00 0.00 C ATOM 31 CD1 PHE A 3 3.814 6.165 -1.245 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.224 6.139 0.678 1.00 0.00 C ATOM 33 CE1 PHE A 3 2.704 6.171 -0.425 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.112 6.146 1.498 1.00 0.00 C ATOM 35 CZ PHE A 3 2.853 6.161 0.945 1.00 0.00 C ATOM 0 HA PHE A 3 5.687 4.804 -3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.218 6.282 -0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.272 6.991 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.686 6.171 -2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.209 6.124 1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.715 6.184 -0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.231 6.140 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.982 6.165 1.584 1.00 0.00 H new ATOM 45 N VAL A 4 7.817 5.317 -4.430 1.00 0.00 N ATOM 46 CA VAL A 4 9.007 5.377 -5.278 1.00 0.00 C ATOM 47 C VAL A 4 9.908 6.554 -4.855 1.00 0.00 C ATOM 48 O VAL A 4 9.473 7.717 -4.816 1.00 0.00 O ATOM 49 CB VAL A 4 8.622 5.454 -6.807 1.00 0.00 C ATOM 50 CG1 VAL A 4 7.671 6.638 -7.129 1.00 0.00 C ATOM 51 CG2 VAL A 4 9.887 5.469 -7.703 1.00 0.00 C ATOM 0 H VAL A 4 6.980 5.700 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 4 9.572 4.455 -5.141 1.00 0.00 H new ATOM 0 HB VAL A 4 8.062 4.548 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.441 6.640 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.748 6.529 -6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.155 7.577 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.590 5.522 -8.750 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.499 6.336 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.463 4.559 -7.535 1.00 0.00 H new ATOM 61 N VAL A 5 11.141 6.214 -4.460 1.00 0.00 N ATOM 62 CA VAL A 5 12.210 7.183 -4.177 1.00 0.00 C ATOM 63 C VAL A 5 13.060 7.396 -5.441 1.00 0.00 C ATOM 64 O VAL A 5 13.362 6.446 -6.172 1.00 0.00 O ATOM 65 CB VAL A 5 13.106 6.737 -2.952 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.642 5.295 -3.108 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.266 7.740 -2.688 1.00 0.00 C ATOM 0 H VAL A 5 11.429 5.245 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 5 11.748 8.129 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 5 12.455 6.744 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.251 5.037 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.804 4.601 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.249 5.228 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.857 7.397 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.902 7.802 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.853 8.724 -2.468 1.00 0.00 H new ATOM 77 N GLU A 6 13.400 8.664 -5.701 1.00 0.00 N ATOM 78 CA GLU A 6 14.247 9.064 -6.836 1.00 0.00 C ATOM 79 C GLU A 6 15.736 8.834 -6.516 1.00 0.00 C ATOM 80 O GLU A 6 16.457 8.205 -7.302 1.00 0.00 O ATOM 81 CB GLU A 6 14.003 10.556 -7.172 1.00 0.00 C ATOM 82 CG GLU A 6 14.857 11.108 -8.328 1.00 0.00 C ATOM 83 CD GLU A 6 14.560 12.573 -8.637 1.00 0.00 C ATOM 84 OE1 GLU A 6 13.520 12.851 -9.264 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.351 13.459 -8.251 1.00 0.00 O ATOM 0 H GLU A 6 13.094 9.449 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 6 13.983 8.451 -7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.950 10.690 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.197 11.151 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.912 11.001 -8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.680 10.510 -9.222 1.00 0.00 H new ATOM 92 N LYS A 7 16.180 9.366 -5.349 1.00 0.00 N ATOM 93 CA LYS A 7 17.611 9.396 -4.964 1.00 0.00 C ATOM 94 C LYS A 7 17.784 9.615 -3.448 1.00 0.00 C ATOM 95 O LYS A 7 16.822 9.917 -2.739 1.00 0.00 O ATOM 96 CB LYS A 7 18.343 10.510 -5.759 1.00 0.00 C ATOM 97 CG LYS A 7 17.876 11.948 -5.426 1.00 0.00 C ATOM 98 CD LYS A 7 18.422 13.007 -6.403 1.00 0.00 C ATOM 99 CE LYS A 7 19.957 12.999 -6.522 1.00 0.00 C ATOM 100 NZ LYS A 7 20.440 13.981 -7.522 1.00 0.00 N ATOM 0 H LYS A 7 15.560 9.783 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 7 18.051 8.429 -5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.413 10.435 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.200 10.332 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.787 11.981 -5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.192 12.200 -4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.988 12.839 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.096 13.994 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.397 13.224 -5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.294 12.001 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 21.478 13.944 -7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 20.040 13.752 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.141 14.937 -7.242 1.00 0.00 H new ATOM 114 N VAL A 8 19.026 9.439 -2.966 1.00 0.00 N ATOM 115 CA VAL A 8 19.419 9.757 -1.580 1.00 0.00 C ATOM 116 C VAL A 8 20.140 11.120 -1.555 1.00 0.00 C ATOM 117 O VAL A 8 20.884 11.460 -2.484 1.00 0.00 O ATOM 118 CB VAL A 8 20.353 8.645 -0.969 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.755 8.979 0.489 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.704 7.237 -1.058 1.00 0.00 C ATOM 0 H VAL A 8 19.792 9.070 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 8 18.516 9.800 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 8 21.262 8.627 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.399 8.191 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.290 9.928 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.859 9.053 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.379 6.497 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.763 7.235 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.514 6.989 -2.102 1.00 0.00 H new ATOM 130 N LEU A 9 19.891 11.889 -0.486 1.00 0.00 N ATOM 131 CA LEU A 9 20.500 13.208 -0.256 1.00 0.00 C ATOM 132 C LEU A 9 21.535 13.160 0.892 1.00 0.00 C ATOM 133 O LEU A 9 22.594 13.805 0.796 1.00 0.00 O ATOM 134 CB LEU A 9 19.410 14.276 0.051 1.00 0.00 C ATOM 135 CG LEU A 9 18.352 14.538 -1.075 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.386 15.678 -0.689 1.00 0.00 C ATOM 137 CD2 LEU A 9 19.018 14.804 -2.445 1.00 0.00 C ATOM 0 H LEU A 9 19.250 11.608 0.256 1.00 0.00 H new ATOM 0 HA LEU A 9 21.020 13.490 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.880 13.973 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.909 15.218 0.276 1.00 0.00 H new ATOM 0 HG LEU A 9 17.763 13.626 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.666 15.833 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.857 15.412 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.952 16.595 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.248 14.980 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.662 15.681 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.615 13.939 -2.734 1.00 0.00 H new ATOM 149 N ASP A 10 21.234 12.394 1.975 1.00 0.00 N ATOM 150 CA ASP A 10 22.083 12.360 3.200 1.00 0.00 C ATOM 151 C ASP A 10 21.915 11.018 3.953 1.00 0.00 C ATOM 152 O ASP A 10 21.026 10.237 3.625 1.00 0.00 O ATOM 153 CB ASP A 10 21.754 13.569 4.119 1.00 0.00 C ATOM 154 CG ASP A 10 22.812 13.817 5.210 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.933 14.240 4.872 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.541 13.593 6.405 1.00 0.00 O ATOM 0 H ASP A 10 20.412 11.793 2.026 1.00 0.00 H new ATOM 0 HA ASP A 10 23.128 12.438 2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.658 14.465 3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.787 13.402 4.593 1.00 0.00 H new ATOM 161 N ARG A 11 22.824 10.737 4.912 1.00 0.00 N ATOM 162 CA ARG A 11 22.829 9.502 5.738 1.00 0.00 C ATOM 163 C ARG A 11 23.253 9.827 7.189 1.00 0.00 C ATOM 164 O ARG A 11 24.042 10.753 7.422 1.00 0.00 O ATOM 165 CB ARG A 11 23.807 8.479 5.099 1.00 0.00 C ATOM 166 CG ARG A 11 24.112 7.185 5.897 1.00 0.00 C ATOM 167 CD ARG A 11 25.131 6.276 5.167 1.00 0.00 C ATOM 168 NE ARG A 11 25.575 5.127 5.986 1.00 0.00 N ATOM 169 CZ ARG A 11 26.082 3.973 5.502 1.00 0.00 C ATOM 170 NH1 ARG A 11 26.158 3.751 4.195 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.495 3.039 6.345 1.00 0.00 N ATOM 0 H ARG A 11 23.590 11.371 5.141 1.00 0.00 H new ATOM 0 HA ARG A 11 21.826 9.076 5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.403 8.189 4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.752 8.989 4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.502 7.449 6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.186 6.633 6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.683 5.906 4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.000 6.870 4.883 1.00 0.00 H new ATOM 0 HE ARG A 11 25.491 5.214 6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.830 4.459 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 11 26.544 2.873 3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.429 3.194 7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 11 26.879 2.164 5.988 1.00 0.00 H new ATOM 185 N ARG A 12 22.710 9.051 8.146 1.00 0.00 N ATOM 186 CA ARG A 12 23.072 9.103 9.578 1.00 0.00 C ATOM 187 C ARG A 12 22.824 7.720 10.216 1.00 0.00 C ATOM 188 O ARG A 12 22.301 6.810 9.560 1.00 0.00 O ATOM 189 CB ARG A 12 22.248 10.204 10.316 1.00 0.00 C ATOM 190 CG ARG A 12 20.757 9.858 10.561 1.00 0.00 C ATOM 191 CD ARG A 12 19.969 11.027 11.180 1.00 0.00 C ATOM 192 NE ARG A 12 20.520 11.458 12.478 1.00 0.00 N ATOM 193 CZ ARG A 12 20.148 12.555 13.158 1.00 0.00 C ATOM 194 NH1 ARG A 12 19.162 13.339 12.723 1.00 0.00 N ATOM 195 NH2 ARG A 12 20.754 12.842 14.298 1.00 0.00 N ATOM 0 H ARG A 12 21.992 8.355 7.943 1.00 0.00 H new ATOM 0 HA ARG A 12 24.128 9.358 9.671 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.720 10.406 11.277 1.00 0.00 H new ATOM 0 HB3 ARG A 12 22.300 11.125 9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.294 9.574 9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.693 8.993 11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.974 11.870 10.489 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.929 10.730 11.312 1.00 0.00 H new ATOM 0 HE ARG A 12 21.245 10.874 12.895 1.00 0.00 H new ATOM 0 HH11 ARG A 12 18.673 13.111 11.857 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.896 14.167 13.256 1.00 0.00 H new ATOM 0 HH21 ARG A 12 21.493 12.234 14.650 1.00 0.00 H new ATOM 0 HH22 ARG A 12 20.482 13.672 14.825 1.00 0.00 H new ATOM 209 N VAL A 13 23.211 7.567 11.495 1.00 0.00 N ATOM 210 CA VAL A 13 22.965 6.343 12.284 1.00 0.00 C ATOM 211 C VAL A 13 22.178 6.695 13.562 1.00 0.00 C ATOM 212 O VAL A 13 22.666 7.440 14.419 1.00 0.00 O ATOM 213 CB VAL A 13 24.307 5.605 12.658 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.058 4.378 13.573 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.076 5.187 11.385 1.00 0.00 C ATOM 0 H VAL A 13 23.706 8.292 12.015 1.00 0.00 H new ATOM 0 HA VAL A 13 22.378 5.661 11.668 1.00 0.00 H new ATOM 0 HB VAL A 13 24.919 6.312 13.219 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.009 3.899 13.806 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.580 4.704 14.497 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.410 3.667 13.060 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.998 4.680 11.667 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.458 4.513 10.792 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.315 6.073 10.797 1.00 0.00 H new ATOM 225 N VAL A 14 20.946 6.164 13.663 1.00 0.00 N ATOM 226 CA VAL A 14 20.070 6.330 14.834 1.00 0.00 C ATOM 227 C VAL A 14 19.774 4.947 15.452 1.00 0.00 C ATOM 228 O VAL A 14 19.246 4.060 14.765 1.00 0.00 O ATOM 229 CB VAL A 14 18.718 7.040 14.446 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.750 7.131 15.652 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.970 8.439 13.825 1.00 0.00 C ATOM 0 H VAL A 14 20.527 5.601 12.923 1.00 0.00 H new ATOM 0 HA VAL A 14 20.584 6.961 15.559 1.00 0.00 H new ATOM 0 HB VAL A 14 18.238 6.421 13.688 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.830 7.627 15.343 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.519 6.128 16.010 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.219 7.703 16.453 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.016 8.901 13.569 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.496 9.067 14.544 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.575 8.334 12.925 1.00 0.00 H new ATOM 241 N ASN A 15 20.141 4.787 16.743 1.00 0.00 N ATOM 242 CA ASN A 15 19.881 3.569 17.556 1.00 0.00 C ATOM 243 C ASN A 15 20.621 2.327 17.004 1.00 0.00 C ATOM 244 O ASN A 15 20.233 1.185 17.277 1.00 0.00 O ATOM 245 CB ASN A 15 18.351 3.303 17.702 1.00 0.00 C ATOM 246 CG ASN A 15 17.592 4.454 18.373 1.00 0.00 C ATOM 247 OD1 ASN A 15 18.139 5.187 19.200 1.00 0.00 O ATOM 248 ND2 ASN A 15 16.327 4.625 18.020 1.00 0.00 N ATOM 0 H ASN A 15 20.636 5.512 17.262 1.00 0.00 H new ATOM 0 HA ASN A 15 20.284 3.758 18.551 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.925 3.124 16.715 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.202 2.393 18.283 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.779 5.379 18.435 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.901 4.003 17.333 1.00 0.00 H new ATOM 255 N GLY A 16 21.711 2.576 16.256 1.00 0.00 N ATOM 256 CA GLY A 16 22.498 1.510 15.619 1.00 0.00 C ATOM 257 C GLY A 16 22.088 1.233 14.170 1.00 0.00 C ATOM 258 O GLY A 16 22.880 0.707 13.380 1.00 0.00 O ATOM 0 H GLY A 16 22.067 3.515 16.078 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.553 1.783 15.644 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.392 0.594 16.200 1.00 0.00 H new ATOM 262 N LYS A 17 20.839 1.588 13.825 1.00 0.00 N ATOM 263 CA LYS A 17 20.297 1.470 12.458 1.00 0.00 C ATOM 264 C LYS A 17 20.751 2.683 11.630 1.00 0.00 C ATOM 265 O LYS A 17 21.048 3.742 12.180 1.00 0.00 O ATOM 266 CB LYS A 17 18.733 1.331 12.512 1.00 0.00 C ATOM 267 CG LYS A 17 17.914 2.374 11.718 1.00 0.00 C ATOM 268 CD LYS A 17 16.396 2.246 11.973 1.00 0.00 C ATOM 269 CE LYS A 17 16.039 2.446 13.448 1.00 0.00 C ATOM 270 NZ LYS A 17 16.403 3.803 13.941 1.00 0.00 N ATOM 0 H LYS A 17 20.169 1.969 14.493 1.00 0.00 H new ATOM 0 HA LYS A 17 20.680 0.572 11.972 1.00 0.00 H new ATOM 0 HB2 LYS A 17 18.467 0.339 12.146 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.423 1.379 13.556 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.243 3.376 11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.113 2.254 10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.865 2.982 11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.056 1.262 11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.969 2.288 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.552 1.695 14.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.789 4.058 14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.395 3.805 14.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.280 4.495 13.175 1.00 0.00 H new ATOM 284 N VAL A 18 20.760 2.520 10.302 1.00 0.00 N ATOM 285 CA VAL A 18 21.286 3.528 9.362 1.00 0.00 C ATOM 286 C VAL A 18 20.130 4.097 8.522 1.00 0.00 C ATOM 287 O VAL A 18 19.526 3.380 7.725 1.00 0.00 O ATOM 288 CB VAL A 18 22.400 2.921 8.428 1.00 0.00 C ATOM 289 CG1 VAL A 18 22.918 3.974 7.421 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.558 2.321 9.262 1.00 0.00 C ATOM 0 H VAL A 18 20.402 1.683 9.843 1.00 0.00 H new ATOM 0 HA VAL A 18 21.747 4.330 9.938 1.00 0.00 H new ATOM 0 HB VAL A 18 21.951 2.110 7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.686 3.527 6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.092 4.319 6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.341 4.819 7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.313 1.909 8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.006 3.101 9.877 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.172 1.530 9.904 1.00 0.00 H new ATOM 300 N GLU A 19 19.835 5.395 8.703 1.00 0.00 N ATOM 301 CA GLU A 19 18.730 6.084 8.015 1.00 0.00 C ATOM 302 C GLU A 19 19.272 7.067 6.982 1.00 0.00 C ATOM 303 O GLU A 19 20.215 7.816 7.254 1.00 0.00 O ATOM 304 CB GLU A 19 17.820 6.790 9.050 1.00 0.00 C ATOM 305 CG GLU A 19 17.040 5.798 9.933 1.00 0.00 C ATOM 306 CD GLU A 19 16.232 6.451 11.059 1.00 0.00 C ATOM 307 OE1 GLU A 19 15.363 7.305 10.776 1.00 0.00 O ATOM 308 OE2 GLU A 19 16.442 6.089 12.235 1.00 0.00 O ATOM 0 H GLU A 19 20.360 6.000 9.335 1.00 0.00 H new ATOM 0 HA GLU A 19 18.128 5.348 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.430 7.433 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.115 7.436 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.362 5.224 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.743 5.090 10.371 1.00 0.00 H new ATOM 315 N TYR A 20 18.674 7.034 5.790 1.00 0.00 N ATOM 316 CA TYR A 20 19.048 7.887 4.662 1.00 0.00 C ATOM 317 C TYR A 20 17.959 8.939 4.424 1.00 0.00 C ATOM 318 O TYR A 20 16.781 8.592 4.299 1.00 0.00 O ATOM 319 CB TYR A 20 19.228 7.036 3.378 1.00 0.00 C ATOM 320 CG TYR A 20 20.362 5.998 3.436 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.217 4.811 4.155 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.576 6.202 2.768 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.224 3.876 4.201 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.586 5.262 2.815 1.00 0.00 C ATOM 325 CZ TYR A 20 22.404 4.103 3.536 1.00 0.00 C ATOM 326 OH TYR A 20 23.401 3.160 3.585 1.00 0.00 O ATOM 0 H TYR A 20 17.902 6.402 5.578 1.00 0.00 H new ATOM 0 HA TYR A 20 19.991 8.381 4.897 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.292 6.517 3.171 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.413 7.707 2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 20 19.295 4.623 4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 20 21.725 7.112 2.206 1.00 0.00 H new ATOM 0 HE1 TYR A 20 21.087 2.962 4.760 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.514 5.435 2.289 1.00 0.00 H new ATOM 0 HH TYR A 20 23.130 2.371 3.071 1.00 0.00 H new ATOM 336 N PHE A 21 18.358 10.217 4.349 1.00 0.00 N ATOM 337 CA PHE A 21 17.452 11.311 3.991 1.00 0.00 C ATOM 338 C PHE A 21 17.252 11.246 2.482 1.00 0.00 C ATOM 339 O PHE A 21 18.177 11.509 1.726 1.00 0.00 O ATOM 340 CB PHE A 21 18.062 12.674 4.414 1.00 0.00 C ATOM 341 CG PHE A 21 17.100 13.858 4.464 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.759 13.686 4.810 1.00 0.00 C ATOM 343 CD2 PHE A 21 17.553 15.154 4.218 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.905 14.766 4.904 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.694 16.233 4.305 1.00 0.00 C ATOM 346 CZ PHE A 21 15.374 16.040 4.653 1.00 0.00 C ATOM 0 H PHE A 21 19.315 10.518 4.535 1.00 0.00 H new ATOM 0 HA PHE A 21 16.496 11.215 4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.512 12.557 5.400 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.869 12.917 3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.384 12.693 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 21 18.588 15.316 3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.870 14.615 5.174 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.057 17.229 4.100 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.707 16.886 4.729 1.00 0.00 H new ATOM 356 N LEU A 22 16.058 10.832 2.066 1.00 0.00 N ATOM 357 CA LEU A 22 15.751 10.538 0.667 1.00 0.00 C ATOM 358 C LEU A 22 15.400 11.800 -0.127 1.00 0.00 C ATOM 359 O LEU A 22 15.572 12.924 0.342 1.00 0.00 O ATOM 360 CB LEU A 22 14.596 9.509 0.594 1.00 0.00 C ATOM 361 CG LEU A 22 14.867 8.112 1.231 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.694 7.162 0.949 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.211 7.516 0.755 1.00 0.00 C ATOM 0 H LEU A 22 15.268 10.690 2.696 1.00 0.00 H new ATOM 0 HA LEU A 22 16.646 10.116 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.722 9.942 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.337 9.361 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 22 14.949 8.242 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.896 6.190 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.780 7.576 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.572 7.044 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.363 6.543 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.194 7.400 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 22 17.025 8.184 1.036 1.00 0.00 H new ATOM 375 N LYS A 23 15.006 11.565 -1.377 1.00 0.00 N ATOM 376 CA LYS A 23 14.308 12.516 -2.239 1.00 0.00 C ATOM 377 C LYS A 23 13.349 11.641 -3.054 1.00 0.00 C ATOM 378 O LYS A 23 13.802 10.821 -3.855 1.00 0.00 O ATOM 379 CB LYS A 23 15.323 13.298 -3.135 1.00 0.00 C ATOM 380 CG LYS A 23 14.771 14.498 -3.959 1.00 0.00 C ATOM 381 CD LYS A 23 13.823 14.083 -5.108 1.00 0.00 C ATOM 382 CE LYS A 23 13.429 15.242 -6.027 1.00 0.00 C ATOM 383 NZ LYS A 23 12.543 14.786 -7.134 1.00 0.00 N ATOM 0 H LYS A 23 15.171 10.669 -1.836 1.00 0.00 H new ATOM 0 HA LYS A 23 13.771 13.288 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.123 13.669 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.774 12.590 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.240 15.173 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.609 15.057 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.305 13.307 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.920 13.645 -4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.920 16.011 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.327 15.699 -6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.094 14.716 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.145 13.854 -6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.770 15.469 -7.264 1.00 0.00 H new ATOM 397 N TRP A 24 12.039 11.794 -2.836 1.00 0.00 N ATOM 398 CA TRP A 24 11.028 10.924 -3.456 1.00 0.00 C ATOM 399 C TRP A 24 10.760 11.326 -4.910 1.00 0.00 C ATOM 400 O TRP A 24 10.857 12.502 -5.273 1.00 0.00 O ATOM 401 CB TRP A 24 9.712 10.950 -2.637 1.00 0.00 C ATOM 402 CG TRP A 24 9.884 10.483 -1.213 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.079 11.268 -0.115 1.00 0.00 C ATOM 404 CD2 TRP A 24 9.881 9.132 -0.740 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.204 10.494 1.006 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.087 9.178 0.648 1.00 0.00 C ATOM 407 CE3 TRP A 24 9.732 7.895 -1.355 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.147 8.033 1.427 1.00 0.00 C ATOM 409 CZ3 TRP A 24 9.782 6.754 -0.582 1.00 0.00 C ATOM 410 CH2 TRP A 24 9.993 6.828 0.796 1.00 0.00 C ATOM 0 H TRP A 24 11.650 12.517 -2.231 1.00 0.00 H new ATOM 0 HA TRP A 24 11.421 9.907 -3.457 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.315 11.965 -2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.972 10.320 -3.131 1.00 0.00 H new ATOM 0 HD1 TRP A 24 10.128 12.347 -0.129 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.359 10.840 1.953 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.579 7.828 -2.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.309 8.090 2.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.656 5.789 -1.050 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.036 5.917 1.375 1.00 0.00 H new ATOM 421 N LYS A 25 10.441 10.316 -5.728 1.00 0.00 N ATOM 422 CA LYS A 25 9.994 10.494 -7.114 1.00 0.00 C ATOM 423 C LYS A 25 8.471 10.748 -7.136 1.00 0.00 C ATOM 424 O LYS A 25 7.976 11.539 -7.942 1.00 0.00 O ATOM 425 CB LYS A 25 10.369 9.234 -7.948 1.00 0.00 C ATOM 426 CG LYS A 25 9.966 9.228 -9.456 1.00 0.00 C ATOM 427 CD LYS A 25 10.828 10.160 -10.366 1.00 0.00 C ATOM 428 CE LYS A 25 10.443 11.655 -10.310 1.00 0.00 C ATOM 429 NZ LYS A 25 11.325 12.497 -11.149 1.00 0.00 N ATOM 0 H LYS A 25 10.487 9.338 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 25 10.490 11.357 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.449 9.098 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.911 8.366 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.037 8.208 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.921 9.526 -9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.875 10.058 -10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.745 9.816 -11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.411 11.774 -10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.490 12.001 -9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.831 13.378 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.193 12.723 -10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.572 11.982 -12.018 1.00 0.00 H new ATOM 443 N GLY A 26 7.743 10.067 -6.216 1.00 0.00 N ATOM 444 CA GLY A 26 6.284 10.218 -6.100 1.00 0.00 C ATOM 445 C GLY A 26 5.861 11.549 -5.479 1.00 0.00 C ATOM 446 O GLY A 26 4.778 12.065 -5.775 1.00 0.00 O ATOM 0 H GLY A 26 8.148 9.411 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.837 10.129 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.888 9.401 -5.496 1.00 0.00 H new ATOM 450 N PHE A 27 6.730 12.101 -4.611 1.00 0.00 N ATOM 451 CA PHE A 27 6.445 13.329 -3.826 1.00 0.00 C ATOM 452 C PHE A 27 7.467 14.431 -4.140 1.00 0.00 C ATOM 453 O PHE A 27 8.460 14.188 -4.841 1.00 0.00 O ATOM 454 CB PHE A 27 6.441 13.005 -2.308 1.00 0.00 C ATOM 455 CG PHE A 27 5.437 11.929 -1.927 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.108 12.251 -1.652 1.00 0.00 C ATOM 457 CD2 PHE A 27 5.819 10.593 -1.857 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.196 11.267 -1.323 1.00 0.00 C ATOM 459 CE2 PHE A 27 4.908 9.618 -1.528 1.00 0.00 C ATOM 460 CZ PHE A 27 3.598 9.952 -1.260 1.00 0.00 C ATOM 0 H PHE A 27 7.655 11.710 -4.430 1.00 0.00 H new ATOM 0 HA PHE A 27 5.458 13.696 -4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.439 12.684 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.218 13.914 -1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.788 13.282 -1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.843 10.319 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.169 11.529 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.220 8.585 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.887 9.182 -1.001 1.00 0.00 H new ATOM 470 N THR A 28 7.208 15.643 -3.614 1.00 0.00 N ATOM 471 CA THR A 28 8.066 16.817 -3.836 1.00 0.00 C ATOM 472 C THR A 28 9.420 16.682 -3.087 1.00 0.00 C ATOM 473 O THR A 28 9.547 15.871 -2.155 1.00 0.00 O ATOM 474 CB THR A 28 7.317 18.127 -3.416 1.00 0.00 C ATOM 475 OG1 THR A 28 6.937 18.060 -2.038 1.00 0.00 O ATOM 476 CG2 THR A 28 6.053 18.379 -4.264 1.00 0.00 C ATOM 0 H THR A 28 6.398 15.833 -3.024 1.00 0.00 H new ATOM 0 HA THR A 28 8.290 16.875 -4.901 1.00 0.00 H new ATOM 0 HB THR A 28 8.011 18.951 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.122 17.523 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.570 19.299 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.332 18.473 -5.314 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.363 17.544 -4.145 1.00 0.00 H new ATOM 484 N ASP A 29 10.419 17.487 -3.506 1.00 0.00 N ATOM 485 CA ASP A 29 11.813 17.388 -3.005 1.00 0.00 C ATOM 486 C ASP A 29 11.931 17.818 -1.533 1.00 0.00 C ATOM 487 O ASP A 29 12.841 17.381 -0.832 1.00 0.00 O ATOM 488 CB ASP A 29 12.787 18.228 -3.888 1.00 0.00 C ATOM 489 CG ASP A 29 12.615 19.757 -3.746 1.00 0.00 C ATOM 490 OD1 ASP A 29 11.694 20.319 -4.377 1.00 0.00 O ATOM 491 OD2 ASP A 29 13.408 20.399 -3.020 1.00 0.00 O ATOM 0 H ASP A 29 10.286 18.223 -4.199 1.00 0.00 H new ATOM 0 HA ASP A 29 12.096 16.337 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.812 17.964 -3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.641 17.953 -4.933 1.00 0.00 H new ATOM 496 N ALA A 30 11.017 18.701 -1.093 1.00 0.00 N ATOM 497 CA ALA A 30 10.950 19.177 0.308 1.00 0.00 C ATOM 498 C ALA A 30 10.148 18.199 1.194 1.00 0.00 C ATOM 499 O ALA A 30 10.279 18.213 2.426 1.00 0.00 O ATOM 500 CB ALA A 30 10.339 20.589 0.367 1.00 0.00 C ATOM 0 H ALA A 30 10.302 19.107 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 30 11.967 19.221 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.297 20.924 1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.955 21.277 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.332 20.567 -0.049 1.00 0.00 H new ATOM 506 N ASP A 31 9.330 17.340 0.554 1.00 0.00 N ATOM 507 CA ASP A 31 8.496 16.335 1.253 1.00 0.00 C ATOM 508 C ASP A 31 9.316 15.058 1.566 1.00 0.00 C ATOM 509 O ASP A 31 8.790 14.083 2.127 1.00 0.00 O ATOM 510 CB ASP A 31 7.254 16.004 0.382 1.00 0.00 C ATOM 511 CG ASP A 31 6.129 15.312 1.164 1.00 0.00 C ATOM 512 OD1 ASP A 31 5.612 15.918 2.119 1.00 0.00 O ATOM 513 OD2 ASP A 31 5.746 14.177 0.830 1.00 0.00 O ATOM 0 H ASP A 31 9.227 17.321 -0.461 1.00 0.00 H new ATOM 0 HA ASP A 31 8.161 16.746 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.869 16.926 -0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.560 15.363 -0.445 1.00 0.00 H new ATOM 518 N ASN A 32 10.615 15.091 1.193 1.00 0.00 N ATOM 519 CA ASN A 32 11.589 14.025 1.479 1.00 0.00 C ATOM 520 C ASN A 32 11.713 13.720 2.986 1.00 0.00 C ATOM 521 O ASN A 32 11.593 14.617 3.834 1.00 0.00 O ATOM 522 CB ASN A 32 12.964 14.400 0.896 1.00 0.00 C ATOM 523 CG ASN A 32 13.645 15.607 1.551 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.994 16.525 2.059 1.00 0.00 O ATOM 525 ND2 ASN A 32 14.966 15.618 1.521 1.00 0.00 N ATOM 0 H ASN A 32 11.018 15.873 0.677 1.00 0.00 H new ATOM 0 HA ASN A 32 11.221 13.116 1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.625 13.538 0.984 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.846 14.603 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.479 16.401 1.926 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.473 14.843 1.093 1.00 0.00 H new ATOM 532 N THR A 33 11.975 12.441 3.296 1.00 0.00 N ATOM 533 CA THR A 33 11.988 11.926 4.677 1.00 0.00 C ATOM 534 C THR A 33 13.129 10.910 4.888 1.00 0.00 C ATOM 535 O THR A 33 13.657 10.331 3.927 1.00 0.00 O ATOM 536 CB THR A 33 10.600 11.275 5.036 1.00 0.00 C ATOM 537 OG1 THR A 33 10.130 10.472 3.939 1.00 0.00 O ATOM 538 CG2 THR A 33 9.522 12.319 5.384 1.00 0.00 C ATOM 0 H THR A 33 12.185 11.731 2.594 1.00 0.00 H new ATOM 0 HA THR A 33 12.164 12.769 5.345 1.00 0.00 H new ATOM 0 HB THR A 33 10.768 10.659 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.143 9.527 4.197 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.587 11.811 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.847 12.905 6.244 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.368 12.981 4.532 1.00 0.00 H new ATOM 546 N TRP A 34 13.505 10.728 6.164 1.00 0.00 N ATOM 547 CA TRP A 34 14.514 9.748 6.595 1.00 0.00 C ATOM 548 C TRP A 34 13.919 8.343 6.601 1.00 0.00 C ATOM 549 O TRP A 34 12.996 8.072 7.374 1.00 0.00 O ATOM 550 CB TRP A 34 15.010 10.076 8.019 1.00 0.00 C ATOM 551 CG TRP A 34 15.790 11.357 8.109 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.317 12.612 8.376 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.192 11.486 7.914 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.355 13.507 8.370 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.517 12.836 8.085 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.205 10.569 7.624 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.819 13.297 7.963 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.490 11.026 7.487 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.791 12.379 7.657 1.00 0.00 C ATOM 0 H TRP A 34 13.111 11.265 6.936 1.00 0.00 H new ATOM 0 HA TRP A 34 15.348 9.795 5.895 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.151 10.136 8.688 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.634 9.256 8.374 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.283 12.860 8.563 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.276 14.508 8.548 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.980 9.519 7.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 19.059 14.341 8.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.280 10.331 7.244 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.813 12.710 7.545 1.00 0.00 H new ATOM 570 N GLU A 35 14.442 7.455 5.748 1.00 0.00 N ATOM 571 CA GLU A 35 14.035 6.046 5.725 1.00 0.00 C ATOM 572 C GLU A 35 15.273 5.153 5.896 1.00 0.00 C ATOM 573 O GLU A 35 16.272 5.360 5.198 1.00 0.00 O ATOM 574 CB GLU A 35 13.295 5.682 4.410 1.00 0.00 C ATOM 575 CG GLU A 35 12.063 6.551 4.052 1.00 0.00 C ATOM 576 CD GLU A 35 11.013 6.740 5.168 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.915 5.908 6.090 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.267 7.739 5.116 1.00 0.00 O ATOM 0 H GLU A 35 15.155 7.691 5.058 1.00 0.00 H new ATOM 0 HA GLU A 35 13.341 5.880 6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.008 5.744 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.973 4.643 4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.416 7.535 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.569 6.105 3.189 1.00 0.00 H new ATOM 585 N PRO A 36 15.233 4.147 6.817 1.00 0.00 N ATOM 586 CA PRO A 36 16.378 3.249 7.058 1.00 0.00 C ATOM 587 C PRO A 36 16.618 2.276 5.889 1.00 0.00 C ATOM 588 O PRO A 36 15.695 1.955 5.137 1.00 0.00 O ATOM 589 CB PRO A 36 15.982 2.514 8.359 1.00 0.00 C ATOM 590 CG PRO A 36 14.483 2.511 8.356 1.00 0.00 C ATOM 591 CD PRO A 36 14.074 3.808 7.691 1.00 0.00 C ATOM 0 HA PRO A 36 17.322 3.786 7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.380 1.499 8.377 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.375 3.026 9.238 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.094 1.651 7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.089 2.450 9.371 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.159 3.688 7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.886 4.591 8.426 1.00 0.00 H new ATOM 599 N GLU A 37 17.880 1.820 5.765 1.00 0.00 N ATOM 600 CA GLU A 37 18.324 0.854 4.736 1.00 0.00 C ATOM 601 C GLU A 37 17.504 -0.454 4.768 1.00 0.00 C ATOM 602 O GLU A 37 17.340 -1.115 3.734 1.00 0.00 O ATOM 603 CB GLU A 37 19.866 0.565 4.860 1.00 0.00 C ATOM 604 CG GLU A 37 20.485 0.582 6.288 1.00 0.00 C ATOM 605 CD GLU A 37 19.752 -0.253 7.349 1.00 0.00 C ATOM 606 OE1 GLU A 37 19.955 -1.481 7.392 1.00 0.00 O ATOM 607 OE2 GLU A 37 18.959 0.316 8.141 1.00 0.00 O ATOM 0 H GLU A 37 18.633 2.116 6.386 1.00 0.00 H new ATOM 0 HA GLU A 37 18.142 1.315 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.062 -0.413 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.396 1.300 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.513 0.227 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.527 1.615 6.632 1.00 0.00 H new ATOM 614 N GLU A 38 16.988 -0.797 5.962 1.00 0.00 N ATOM 615 CA GLU A 38 16.139 -1.981 6.159 1.00 0.00 C ATOM 616 C GLU A 38 14.785 -1.834 5.413 1.00 0.00 C ATOM 617 O GLU A 38 14.211 -2.832 4.962 1.00 0.00 O ATOM 618 CB GLU A 38 15.908 -2.242 7.672 1.00 0.00 C ATOM 619 CG GLU A 38 15.228 -1.086 8.424 1.00 0.00 C ATOM 620 CD GLU A 38 14.903 -1.407 9.891 1.00 0.00 C ATOM 621 OE1 GLU A 38 13.858 -2.038 10.149 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.695 -1.045 10.794 1.00 0.00 O ATOM 0 H GLU A 38 17.149 -0.261 6.815 1.00 0.00 H new ATOM 0 HA GLU A 38 16.659 -2.840 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.299 -3.139 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.869 -2.449 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.876 -0.210 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.306 -0.821 7.907 1.00 0.00 H new ATOM 629 N ASN A 39 14.289 -0.585 5.302 1.00 0.00 N ATOM 630 CA ASN A 39 13.033 -0.253 4.585 1.00 0.00 C ATOM 631 C ASN A 39 13.304 0.153 3.128 1.00 0.00 C ATOM 632 O ASN A 39 12.377 0.158 2.301 1.00 0.00 O ATOM 633 CB ASN A 39 12.271 0.891 5.310 1.00 0.00 C ATOM 634 CG ASN A 39 11.638 0.475 6.640 1.00 0.00 C ATOM 635 OD1 ASN A 39 12.193 -0.316 7.395 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.460 1.009 6.931 1.00 0.00 N ATOM 0 H ASN A 39 14.749 0.230 5.709 1.00 0.00 H new ATOM 0 HA ASN A 39 12.417 -1.152 4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.961 1.715 5.490 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.490 1.268 4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.991 0.765 7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.023 1.664 6.283 1.00 0.00 H new ATOM 643 N LEU A 40 14.560 0.522 2.821 1.00 0.00 N ATOM 644 CA LEU A 40 14.970 0.870 1.454 1.00 0.00 C ATOM 645 C LEU A 40 15.140 -0.404 0.633 1.00 0.00 C ATOM 646 O LEU A 40 15.882 -1.302 1.027 1.00 0.00 O ATOM 647 CB LEU A 40 16.292 1.688 1.443 1.00 0.00 C ATOM 648 CG LEU A 40 16.255 3.073 2.159 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.574 3.844 1.963 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.045 3.898 1.699 1.00 0.00 C ATOM 0 H LEU A 40 15.311 0.586 3.508 1.00 0.00 H new ATOM 0 HA LEU A 40 14.191 1.493 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.072 1.084 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.587 1.847 0.406 1.00 0.00 H new ATOM 0 HG LEU A 40 16.144 2.892 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.514 4.804 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.399 3.264 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.744 4.010 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.043 4.859 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.105 4.063 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.127 3.359 1.933 1.00 0.00 H new ATOM 662 N ASP A 41 14.441 -0.481 -0.502 1.00 0.00 N ATOM 663 CA ASP A 41 14.640 -1.555 -1.488 1.00 0.00 C ATOM 664 C ASP A 41 15.448 -0.996 -2.677 1.00 0.00 C ATOM 665 O ASP A 41 15.414 -1.528 -3.794 1.00 0.00 O ATOM 666 CB ASP A 41 13.266 -2.133 -1.919 1.00 0.00 C ATOM 667 CG ASP A 41 13.379 -3.466 -2.692 1.00 0.00 C ATOM 668 OD1 ASP A 41 13.691 -4.499 -2.057 1.00 0.00 O ATOM 669 OD2 ASP A 41 13.155 -3.494 -3.923 1.00 0.00 O ATOM 0 H ASP A 41 13.724 0.194 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 41 15.208 -2.378 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.650 -2.286 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.752 -1.402 -2.543 1.00 0.00 H new ATOM 674 N CYS A 42 16.211 0.083 -2.406 1.00 0.00 N ATOM 675 CA CYS A 42 17.046 0.762 -3.396 1.00 0.00 C ATOM 676 C CYS A 42 18.547 0.572 -3.062 1.00 0.00 C ATOM 677 O CYS A 42 19.121 1.371 -2.307 1.00 0.00 O ATOM 678 CB CYS A 42 16.655 2.253 -3.414 1.00 0.00 C ATOM 679 SG CYS A 42 16.751 3.072 -1.807 1.00 0.00 S ATOM 0 H CYS A 42 16.259 0.506 -1.479 1.00 0.00 H new ATOM 0 HA CYS A 42 16.884 0.335 -4.386 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.305 2.778 -4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.637 2.344 -3.794 1.00 0.00 H new ATOM 0 HG CYS A 42 17.864 2.746 -1.220 1.00 0.00 H new ATOM 685 N PRO A 43 19.206 -0.519 -3.586 1.00 0.00 N ATOM 686 CA PRO A 43 20.672 -0.722 -3.443 1.00 0.00 C ATOM 687 C PRO A 43 21.473 0.232 -4.349 1.00 0.00 C ATOM 688 O PRO A 43 22.576 0.667 -4.003 1.00 0.00 O ATOM 689 CB PRO A 43 20.886 -2.211 -3.856 1.00 0.00 C ATOM 690 CG PRO A 43 19.510 -2.805 -3.938 1.00 0.00 C ATOM 691 CD PRO A 43 18.593 -1.663 -4.302 1.00 0.00 C ATOM 0 HA PRO A 43 21.022 -0.511 -2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.402 -2.283 -4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.498 -2.738 -3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 43 19.469 -3.595 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.220 -3.253 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.559 -1.497 -5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.569 -1.845 -3.975 1.00 0.00 H new ATOM 699 N GLU A 44 20.873 0.531 -5.515 1.00 0.00 N ATOM 700 CA GLU A 44 21.431 1.430 -6.536 1.00 0.00 C ATOM 701 C GLU A 44 21.725 2.829 -5.955 1.00 0.00 C ATOM 702 O GLU A 44 22.829 3.355 -6.112 1.00 0.00 O ATOM 703 CB GLU A 44 20.424 1.541 -7.710 1.00 0.00 C ATOM 704 CG GLU A 44 20.810 2.521 -8.834 1.00 0.00 C ATOM 705 CD GLU A 44 19.773 2.559 -9.966 1.00 0.00 C ATOM 706 OE1 GLU A 44 18.794 3.336 -9.869 1.00 0.00 O ATOM 707 OE2 GLU A 44 19.926 1.809 -10.960 1.00 0.00 O ATOM 0 H GLU A 44 19.966 0.145 -5.778 1.00 0.00 H new ATOM 0 HA GLU A 44 22.376 1.017 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.293 0.551 -8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.457 1.842 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.923 3.521 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 44 21.779 2.235 -9.243 1.00 0.00 H new ATOM 714 N LEU A 45 20.716 3.402 -5.268 1.00 0.00 N ATOM 715 CA LEU A 45 20.788 4.772 -4.723 1.00 0.00 C ATOM 716 C LEU A 45 21.770 4.861 -3.544 1.00 0.00 C ATOM 717 O LEU A 45 22.469 5.867 -3.390 1.00 0.00 O ATOM 718 CB LEU A 45 19.385 5.248 -4.281 1.00 0.00 C ATOM 719 CG LEU A 45 18.285 5.237 -5.377 1.00 0.00 C ATOM 720 CD1 LEU A 45 16.952 5.770 -4.817 1.00 0.00 C ATOM 721 CD2 LEU A 45 18.738 6.003 -6.641 1.00 0.00 C ATOM 0 H LEU A 45 19.832 2.930 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 45 21.156 5.424 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.053 4.619 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.473 6.263 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 45 18.119 4.204 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.195 5.754 -5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.628 5.141 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.088 6.793 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.944 5.975 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.955 7.039 -6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.635 5.536 -7.048 1.00 0.00 H new ATOM 733 N ILE A 46 21.809 3.799 -2.715 1.00 0.00 N ATOM 734 CA ILE A 46 22.723 3.720 -1.560 1.00 0.00 C ATOM 735 C ILE A 46 24.188 3.679 -2.036 1.00 0.00 C ATOM 736 O ILE A 46 25.015 4.471 -1.572 1.00 0.00 O ATOM 737 CB ILE A 46 22.384 2.479 -0.642 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.001 2.700 0.061 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.501 2.189 0.392 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.557 1.577 0.991 1.00 0.00 C ATOM 0 H ILE A 46 21.213 2.979 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 46 22.585 4.617 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 46 22.321 1.598 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 46 21.047 3.627 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.239 2.836 -0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.221 1.328 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.434 1.977 -0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.635 3.058 1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.590 1.827 1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.472 0.649 0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.292 1.451 1.786 1.00 0.00 H new ATOM 752 N GLU A 47 24.476 2.778 -2.998 1.00 0.00 N ATOM 753 CA GLU A 47 25.822 2.639 -3.596 1.00 0.00 C ATOM 754 C GLU A 47 26.277 3.969 -4.222 1.00 0.00 C ATOM 755 O GLU A 47 27.372 4.454 -3.936 1.00 0.00 O ATOM 756 CB GLU A 47 25.837 1.535 -4.690 1.00 0.00 C ATOM 757 CG GLU A 47 27.198 1.382 -5.414 1.00 0.00 C ATOM 758 CD GLU A 47 27.168 0.430 -6.622 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.141 -0.807 -6.422 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.168 0.912 -7.781 1.00 0.00 O ATOM 0 H GLU A 47 23.788 2.130 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 47 26.507 2.358 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.571 0.582 -4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.068 1.760 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.531 2.365 -5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.938 1.021 -4.700 1.00 0.00 H new ATOM 767 N ALA A 48 25.393 4.544 -5.060 1.00 0.00 N ATOM 768 CA ALA A 48 25.670 5.784 -5.805 1.00 0.00 C ATOM 769 C ALA A 48 25.956 6.963 -4.852 1.00 0.00 C ATOM 770 O ALA A 48 26.840 7.782 -5.108 1.00 0.00 O ATOM 771 CB ALA A 48 24.491 6.118 -6.734 1.00 0.00 C ATOM 0 H ALA A 48 24.465 4.160 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 48 26.563 5.622 -6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.707 7.037 -7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.343 5.302 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.587 6.253 -6.140 1.00 0.00 H new ATOM 777 N PHE A 49 25.204 7.010 -3.739 1.00 0.00 N ATOM 778 CA PHE A 49 25.359 8.034 -2.688 1.00 0.00 C ATOM 779 C PHE A 49 26.747 7.937 -1.999 1.00 0.00 C ATOM 780 O PHE A 49 27.395 8.960 -1.734 1.00 0.00 O ATOM 781 CB PHE A 49 24.213 7.888 -1.650 1.00 0.00 C ATOM 782 CG PHE A 49 24.379 8.758 -0.418 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.255 10.142 -0.502 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.699 8.198 0.818 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.443 10.933 0.608 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.890 8.993 1.919 1.00 0.00 C ATOM 787 CZ PHE A 49 24.761 10.359 1.818 1.00 0.00 C ATOM 0 H PHE A 49 24.466 6.334 -3.541 1.00 0.00 H new ATOM 0 HA PHE A 49 25.300 9.019 -3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.267 8.136 -2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.149 6.845 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.009 10.600 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.798 7.126 0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.341 12.005 0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.143 8.545 2.869 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.909 10.981 2.688 1.00 0.00 H new ATOM 797 N LEU A 50 27.180 6.700 -1.703 1.00 0.00 N ATOM 798 CA LEU A 50 28.488 6.433 -1.061 1.00 0.00 C ATOM 799 C LEU A 50 29.642 6.768 -2.031 1.00 0.00 C ATOM 800 O LEU A 50 30.692 7.270 -1.616 1.00 0.00 O ATOM 801 CB LEU A 50 28.551 4.955 -0.600 1.00 0.00 C ATOM 802 CG LEU A 50 27.464 4.535 0.436 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.501 3.021 0.702 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.589 5.353 1.739 1.00 0.00 C ATOM 0 H LEU A 50 26.640 5.857 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 50 28.597 7.072 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.461 4.314 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.534 4.768 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 50 26.488 4.761 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.731 2.760 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.319 2.484 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.479 2.744 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.818 5.038 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.572 5.187 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.466 6.413 1.516 1.00 0.00 H new ATOM 816 N ASN A 51 29.401 6.502 -3.331 1.00 0.00 N ATOM 817 CA ASN A 51 30.328 6.843 -4.435 1.00 0.00 C ATOM 818 C ASN A 51 30.454 8.372 -4.597 1.00 0.00 C ATOM 819 O ASN A 51 31.510 8.870 -4.998 1.00 0.00 O ATOM 820 CB ASN A 51 29.849 6.205 -5.774 1.00 0.00 C ATOM 821 CG ASN A 51 29.916 4.674 -5.804 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.756 4.059 -5.149 1.00 0.00 O ATOM 823 ND2 ASN A 51 29.044 4.050 -6.584 1.00 0.00 N ATOM 0 H ASN A 51 28.549 6.040 -3.649 1.00 0.00 H new ATOM 0 HA ASN A 51 31.308 6.438 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 51 28.822 6.516 -5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.457 6.599 -6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 51 29.058 3.032 -6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 51 28.359 4.588 -7.115 1.00 0.00 H new ATOM 830 N SER A 52 29.361 9.101 -4.282 1.00 0.00 N ATOM 831 CA SER A 52 29.329 10.576 -4.324 1.00 0.00 C ATOM 832 C SER A 52 30.198 11.177 -3.196 1.00 0.00 C ATOM 833 O SER A 52 30.892 12.182 -3.405 1.00 0.00 O ATOM 834 CB SER A 52 27.871 11.089 -4.211 1.00 0.00 C ATOM 835 OG SER A 52 27.080 10.635 -5.299 1.00 0.00 O ATOM 0 H SER A 52 28.478 8.682 -3.992 1.00 0.00 H new ATOM 0 HA SER A 52 29.740 10.898 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.434 10.747 -3.273 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.867 12.179 -4.185 1.00 0.00 H new ATOM 0 HG SER A 52 26.988 9.660 -5.252 1.00 0.00 H new ATOM 954 N GLN B 5 13.167 3.397 -8.139 1.00 0.00 N ATOM 955 CA GLN B 5 13.598 2.622 -6.976 1.00 0.00 C ATOM 956 C GLN B 5 12.520 2.724 -5.892 1.00 0.00 C ATOM 957 O GLN B 5 11.965 3.802 -5.667 1.00 0.00 O ATOM 958 CB GLN B 5 14.958 3.154 -6.466 1.00 0.00 C ATOM 959 CG GLN B 5 16.163 2.885 -7.397 1.00 0.00 C ATOM 960 CD GLN B 5 16.545 1.405 -7.480 1.00 0.00 C ATOM 961 OE1 GLN B 5 17.354 0.916 -6.687 1.00 0.00 O ATOM 962 NE2 GLN B 5 15.968 0.679 -8.431 1.00 0.00 N ATOM 0 HA GLN B 5 13.731 1.574 -7.246 1.00 0.00 H new ATOM 0 HB2 GLN B 5 14.873 4.229 -6.310 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.164 2.706 -5.494 1.00 0.00 H new ATOM 0 HG2 GLN B 5 15.929 3.249 -8.397 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.022 3.455 -7.043 1.00 0.00 H new ATOM 0 HE21 GLN B 5 15.303 1.113 -9.071 1.00 0.00 H new ATOM 0 HE22 GLN B 5 16.190 -0.313 -8.521 1.00 0.00 H new ATOM 971 N THR B 6 12.217 1.601 -5.231 1.00 0.00 N ATOM 972 CA THR B 6 11.139 1.514 -4.236 1.00 0.00 C ATOM 973 C THR B 6 11.689 1.651 -2.806 1.00 0.00 C ATOM 974 O THR B 6 12.825 1.247 -2.516 1.00 0.00 O ATOM 975 CB THR B 6 10.359 0.168 -4.403 1.00 0.00 C ATOM 976 OG1 THR B 6 11.284 -0.934 -4.431 1.00 0.00 O ATOM 977 CG2 THR B 6 9.516 0.147 -5.693 1.00 0.00 C ATOM 0 H THR B 6 12.715 0.722 -5.371 1.00 0.00 H new ATOM 0 HA THR B 6 10.450 2.342 -4.406 1.00 0.00 H new ATOM 0 HB THR B 6 9.684 0.076 -3.552 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.789 -1.774 -4.534 1.00 0.00 H new ATOM 0 HG21 THR B 6 8.991 -0.805 -5.769 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.790 0.960 -5.667 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.169 0.271 -6.557 1.00 0.00 H new ATOM 985 N ALA B 7 10.868 2.251 -1.926 1.00 0.00 N ATOM 986 CA ALA B 7 11.173 2.424 -0.499 1.00 0.00 C ATOM 987 C ALA B 7 9.873 2.452 0.311 1.00 0.00 C ATOM 988 O ALA B 7 8.849 2.982 -0.139 1.00 0.00 O ATOM 989 CB ALA B 7 11.984 3.704 -0.259 1.00 0.00 C ATOM 0 H ALA B 7 9.961 2.634 -2.193 1.00 0.00 H new ATOM 0 HA ALA B 7 11.779 1.580 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.195 3.807 0.805 1.00 0.00 H new ATOM 0 HB2 ALA B 7 12.922 3.649 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.412 4.567 -0.600 1.00 0.00 H new ATOM 995 N ARG B 8 9.926 1.878 1.512 1.00 0.00 N ATOM 996 CA ARG B 8 8.780 1.765 2.424 1.00 0.00 C ATOM 997 C ARG B 8 8.972 2.757 3.581 1.00 0.00 C ATOM 998 O ARG B 8 10.057 2.812 4.168 1.00 0.00 O ATOM 999 CB ARG B 8 8.709 0.301 2.940 1.00 0.00 C ATOM 1000 CG ARG B 8 8.540 -0.758 1.819 1.00 0.00 C ATOM 1001 CD ARG B 8 8.760 -2.206 2.302 1.00 0.00 C ATOM 1002 NE ARG B 8 7.882 -2.567 3.440 1.00 0.00 N ATOM 1003 CZ ARG B 8 7.199 -3.715 3.561 1.00 0.00 C ATOM 1004 NH1 ARG B 8 7.205 -4.620 2.586 1.00 0.00 N ATOM 1005 NH2 ARG B 8 6.503 -3.948 4.660 1.00 0.00 N ATOM 0 H ARG B 8 10.781 1.470 1.889 1.00 0.00 H new ATOM 0 HA ARG B 8 7.844 2.004 1.918 1.00 0.00 H new ATOM 0 HB2 ARG B 8 9.618 0.080 3.500 1.00 0.00 H new ATOM 0 HB3 ARG B 8 7.876 0.213 3.637 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.539 -0.672 1.397 1.00 0.00 H new ATOM 0 HG3 ARG B 8 9.244 -0.541 1.016 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.578 -2.892 1.475 1.00 0.00 H new ATOM 0 HD3 ARG B 8 9.802 -2.332 2.597 1.00 0.00 H new ATOM 0 HE ARG B 8 7.789 -1.886 4.194 1.00 0.00 H new ATOM 0 HH11 ARG B 8 7.734 -4.446 1.732 1.00 0.00 H new ATOM 0 HH12 ARG B 8 6.681 -5.488 2.693 1.00 0.00 H new ATOM 0 HH21 ARG B 8 6.487 -3.257 5.410 1.00 0.00 H new ATOM 0 HH22 ARG B 8 5.981 -4.819 4.758 1.00 0.00 H new