USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=8 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 Set 1.1: A 23 LYS NZ :NH3+ -172:sc= -0.0699 (180deg=-0.17) USER MOD Set 1.2: A 32 ASN : amide:sc= -2.6 K(o=-2.7,f=-4.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= 0.335 (180deg=0.182) USER MOD Single : A 20 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00234 USER MOD Single : A 33 THR OG1 : rot 102:sc= 1.41 USER MOD Single : A 39 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.1!) USER MOD Single : A 42 CYS SG : rot 47:sc= -0.166 USER MOD Single : A 51 ASN : amide:sc= 0.248 K(o=0.25,f=-0.82) USER MOD Single : A 52 SER OG : rot 76:sc= 1.26 USER MOD Single : B 5 GLN : amide:sc= -0.617 X(o=-0.62,f=-0.5) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N PHE A 3 6.735 3.503 -3.011 1.00 0.00 N ATOM 26 CA PHE A 3 6.991 4.958 -3.065 1.00 0.00 C ATOM 27 C PHE A 3 8.350 5.171 -3.754 1.00 0.00 C ATOM 28 O PHE A 3 9.366 4.668 -3.261 1.00 0.00 O ATOM 29 CB PHE A 3 6.993 5.569 -1.629 1.00 0.00 C ATOM 30 CG PHE A 3 5.780 5.217 -0.764 1.00 0.00 C ATOM 31 CD1 PHE A 3 5.764 4.060 0.021 1.00 0.00 C ATOM 32 CD2 PHE A 3 4.651 6.035 -0.734 1.00 0.00 C ATOM 33 CE1 PHE A 3 4.671 3.739 0.806 1.00 0.00 C ATOM 34 CE2 PHE A 3 3.556 5.715 0.054 1.00 0.00 C ATOM 35 CZ PHE A 3 3.564 4.564 0.818 1.00 0.00 C ATOM 0 HA PHE A 3 6.204 5.460 -3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.894 5.238 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.055 6.654 -1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 3 6.622 3.404 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.629 6.932 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.684 2.843 1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.695 6.367 0.071 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.706 4.310 1.423 1.00 0.00 H new ATOM 45 N VAL A 4 8.377 5.876 -4.905 1.00 0.00 N ATOM 46 CA VAL A 4 9.609 6.009 -5.704 1.00 0.00 C ATOM 47 C VAL A 4 10.508 7.140 -5.174 1.00 0.00 C ATOM 48 O VAL A 4 10.032 8.231 -4.822 1.00 0.00 O ATOM 49 CB VAL A 4 9.322 6.196 -7.241 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.678 7.571 -7.574 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.608 5.935 -8.073 1.00 0.00 C ATOM 0 H VAL A 4 7.567 6.357 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 4 10.145 5.066 -5.593 1.00 0.00 H new ATOM 0 HB VAL A 4 8.579 5.450 -7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.504 7.641 -8.648 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.729 7.666 -7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.348 8.372 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.389 6.069 -9.132 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.385 6.637 -7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.953 4.916 -7.900 1.00 0.00 H new ATOM 61 N VAL A 5 11.810 6.848 -5.104 1.00 0.00 N ATOM 62 CA VAL A 5 12.843 7.787 -4.659 1.00 0.00 C ATOM 63 C VAL A 5 13.839 8.040 -5.812 1.00 0.00 C ATOM 64 O VAL A 5 14.342 7.099 -6.424 1.00 0.00 O ATOM 65 CB VAL A 5 13.563 7.266 -3.346 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.876 5.748 -3.407 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.840 8.086 -3.029 1.00 0.00 C ATOM 0 H VAL A 5 12.183 5.934 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 5 12.378 8.737 -4.397 1.00 0.00 H new ATOM 0 HB VAL A 5 12.858 7.415 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.369 5.441 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.948 5.190 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.532 5.546 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.305 7.699 -2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.541 8.004 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.573 9.132 -2.881 1.00 0.00 H new ATOM 77 N GLU A 6 14.044 9.336 -6.122 1.00 0.00 N ATOM 78 CA GLU A 6 15.033 9.831 -7.102 1.00 0.00 C ATOM 79 C GLU A 6 16.463 9.412 -6.721 1.00 0.00 C ATOM 80 O GLU A 6 17.205 8.869 -7.546 1.00 0.00 O ATOM 81 CB GLU A 6 14.957 11.386 -7.180 1.00 0.00 C ATOM 82 CG GLU A 6 15.914 12.044 -8.199 1.00 0.00 C ATOM 83 CD GLU A 6 15.571 11.700 -9.654 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.629 12.315 -10.208 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.228 10.823 -10.256 1.00 0.00 O ATOM 0 H GLU A 6 13.511 10.089 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 6 14.795 9.392 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.935 11.671 -7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.169 11.794 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.884 13.126 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.935 11.726 -7.988 1.00 0.00 H new ATOM 92 N LYS A 7 16.842 9.705 -5.460 1.00 0.00 N ATOM 93 CA LYS A 7 18.190 9.422 -4.939 1.00 0.00 C ATOM 94 C LYS A 7 18.246 9.653 -3.433 1.00 0.00 C ATOM 95 O LYS A 7 17.346 10.264 -2.845 1.00 0.00 O ATOM 96 CB LYS A 7 19.255 10.307 -5.649 1.00 0.00 C ATOM 97 CG LYS A 7 19.063 11.831 -5.441 1.00 0.00 C ATOM 98 CD LYS A 7 20.090 12.673 -6.225 1.00 0.00 C ATOM 99 CE LYS A 7 19.961 12.500 -7.757 1.00 0.00 C ATOM 100 NZ LYS A 7 20.991 13.272 -8.487 1.00 0.00 N ATOM 0 H LYS A 7 16.222 10.143 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 7 18.413 8.375 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.244 10.025 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.234 10.093 -6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.057 12.112 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.145 12.062 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.961 13.725 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 7 21.096 12.391 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.050 11.444 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.970 12.823 -8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.871 13.130 -9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 20.891 14.283 -8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.936 12.947 -8.201 1.00 0.00 H new ATOM 114 N VAL A 8 19.315 9.145 -2.821 1.00 0.00 N ATOM 115 CA VAL A 8 19.672 9.472 -1.445 1.00 0.00 C ATOM 116 C VAL A 8 20.433 10.811 -1.440 1.00 0.00 C ATOM 117 O VAL A 8 21.342 11.020 -2.253 1.00 0.00 O ATOM 118 CB VAL A 8 20.558 8.354 -0.804 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.958 8.739 0.638 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.852 6.965 -0.863 1.00 0.00 C ATOM 0 H VAL A 8 19.959 8.493 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 8 18.760 9.550 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 8 21.474 8.266 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.574 7.949 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.522 9.671 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.060 8.868 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.495 6.211 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.909 7.013 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.658 6.699 -1.902 1.00 0.00 H new ATOM 130 N LEU A 9 20.046 11.702 -0.520 1.00 0.00 N ATOM 131 CA LEU A 9 20.637 13.046 -0.391 1.00 0.00 C ATOM 132 C LEU A 9 21.663 13.072 0.746 1.00 0.00 C ATOM 133 O LEU A 9 22.718 13.709 0.629 1.00 0.00 O ATOM 134 CB LEU A 9 19.531 14.103 -0.141 1.00 0.00 C ATOM 135 CG LEU A 9 18.476 14.262 -1.284 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.415 15.328 -0.934 1.00 0.00 C ATOM 137 CD2 LEU A 9 19.148 14.565 -2.646 1.00 0.00 C ATOM 0 H LEU A 9 19.311 11.513 0.161 1.00 0.00 H new ATOM 0 HA LEU A 9 21.145 13.290 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.007 13.843 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.008 15.069 0.026 1.00 0.00 H new ATOM 0 HG LEU A 9 17.962 13.306 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.699 15.411 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.893 15.036 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.903 16.290 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.382 14.669 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.716 15.492 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.819 13.748 -2.910 1.00 0.00 H new ATOM 149 N ASP A 10 21.351 12.358 1.848 1.00 0.00 N ATOM 150 CA ASP A 10 22.175 12.372 3.069 1.00 0.00 C ATOM 151 C ASP A 10 21.996 11.061 3.858 1.00 0.00 C ATOM 152 O ASP A 10 21.066 10.301 3.602 1.00 0.00 O ATOM 153 CB ASP A 10 21.817 13.626 3.928 1.00 0.00 C ATOM 154 CG ASP A 10 22.795 13.924 5.081 1.00 0.00 C ATOM 155 OD1 ASP A 10 24.001 13.619 4.957 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.366 14.502 6.101 1.00 0.00 O ATOM 0 H ASP A 10 20.527 11.761 1.914 1.00 0.00 H new ATOM 0 HA ASP A 10 23.228 12.439 2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.774 14.496 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.819 13.490 4.344 1.00 0.00 H new ATOM 161 N ARG A 11 22.920 10.796 4.787 1.00 0.00 N ATOM 162 CA ARG A 11 22.942 9.587 5.627 1.00 0.00 C ATOM 163 C ARG A 11 23.170 9.990 7.093 1.00 0.00 C ATOM 164 O ARG A 11 23.892 10.954 7.368 1.00 0.00 O ATOM 165 CB ARG A 11 24.073 8.653 5.130 1.00 0.00 C ATOM 166 CG ARG A 11 24.345 7.393 5.983 1.00 0.00 C ATOM 167 CD ARG A 11 25.528 6.574 5.435 1.00 0.00 C ATOM 168 NE ARG A 11 25.923 5.485 6.347 1.00 0.00 N ATOM 169 CZ ARG A 11 27.077 5.428 7.035 1.00 0.00 C ATOM 170 NH1 ARG A 11 27.998 6.386 6.914 1.00 0.00 N ATOM 171 NH2 ARG A 11 27.311 4.397 7.831 1.00 0.00 N ATOM 0 H ARG A 11 23.694 11.430 4.983 1.00 0.00 H new ATOM 0 HA ARG A 11 21.991 9.058 5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.833 8.334 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.994 9.232 5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.553 7.689 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.451 6.770 6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.259 6.154 4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.379 7.234 5.271 1.00 0.00 H new ATOM 0 HE ARG A 11 25.268 4.712 6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.832 7.177 6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.868 6.327 7.443 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.619 3.653 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 11 28.184 4.346 8.356 1.00 0.00 H new ATOM 185 N ARG A 12 22.542 9.249 8.021 1.00 0.00 N ATOM 186 CA ARG A 12 22.709 9.438 9.476 1.00 0.00 C ATOM 187 C ARG A 12 22.651 8.074 10.185 1.00 0.00 C ATOM 188 O ARG A 12 22.201 7.082 9.601 1.00 0.00 O ATOM 189 CB ARG A 12 21.623 10.406 10.041 1.00 0.00 C ATOM 190 CG ARG A 12 20.211 9.792 10.239 1.00 0.00 C ATOM 191 CD ARG A 12 19.164 10.835 10.687 1.00 0.00 C ATOM 192 NE ARG A 12 19.579 11.575 11.896 1.00 0.00 N ATOM 193 CZ ARG A 12 18.834 12.480 12.545 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.594 12.750 12.167 1.00 0.00 N ATOM 195 NH2 ARG A 12 19.339 13.107 13.588 1.00 0.00 N ATOM 0 H ARG A 12 21.898 8.495 7.783 1.00 0.00 H new ATOM 0 HA ARG A 12 23.682 9.891 9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.969 10.791 11.000 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.537 11.259 9.368 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.885 9.334 9.305 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.266 8.997 10.982 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.990 11.541 9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.216 10.333 10.881 1.00 0.00 H new ATOM 0 HE ARG A 12 20.509 11.381 12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.188 12.265 11.367 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.045 13.443 12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 12 20.290 12.902 13.895 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.779 13.798 14.088 1.00 0.00 H new ATOM 209 N VAL A 13 23.126 8.033 11.442 1.00 0.00 N ATOM 210 CA VAL A 13 23.058 6.835 12.303 1.00 0.00 C ATOM 211 C VAL A 13 22.291 7.189 13.594 1.00 0.00 C ATOM 212 O VAL A 13 22.778 7.971 14.416 1.00 0.00 O ATOM 213 CB VAL A 13 24.490 6.267 12.644 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.404 5.023 13.574 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.293 5.944 11.353 1.00 0.00 C ATOM 0 H VAL A 13 23.570 8.833 11.893 1.00 0.00 H new ATOM 0 HA VAL A 13 22.531 6.050 11.761 1.00 0.00 H new ATOM 0 HB VAL A 13 25.027 7.046 13.184 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.409 4.658 13.788 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.912 5.299 14.507 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.831 4.238 13.080 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.275 5.555 11.623 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.756 5.198 10.767 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.413 6.852 10.762 1.00 0.00 H new ATOM 225 N VAL A 14 21.068 6.648 13.729 1.00 0.00 N ATOM 226 CA VAL A 14 20.196 6.826 14.909 1.00 0.00 C ATOM 227 C VAL A 14 20.024 5.478 15.636 1.00 0.00 C ATOM 228 O VAL A 14 19.472 4.533 15.064 1.00 0.00 O ATOM 229 CB VAL A 14 18.781 7.393 14.492 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.812 7.503 15.705 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.936 8.754 13.768 1.00 0.00 C ATOM 0 H VAL A 14 20.647 6.062 13.008 1.00 0.00 H new ATOM 0 HA VAL A 14 20.668 7.546 15.577 1.00 0.00 H new ATOM 0 HB VAL A 14 18.332 6.682 13.798 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.853 7.897 15.370 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.665 6.516 16.144 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.238 8.173 16.452 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.952 9.131 13.487 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.422 9.467 14.434 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.543 8.623 12.872 1.00 0.00 H new ATOM 241 N ASN A 15 20.536 5.409 16.887 1.00 0.00 N ATOM 242 CA ASN A 15 20.400 4.243 17.796 1.00 0.00 C ATOM 243 C ASN A 15 21.124 2.990 17.245 1.00 0.00 C ATOM 244 O ASN A 15 20.755 1.852 17.559 1.00 0.00 O ATOM 245 CB ASN A 15 18.898 3.950 18.118 1.00 0.00 C ATOM 246 CG ASN A 15 18.231 5.040 18.966 1.00 0.00 C ATOM 247 OD1 ASN A 15 18.867 5.670 19.811 1.00 0.00 O ATOM 248 ND2 ASN A 15 16.948 5.268 18.753 1.00 0.00 N ATOM 0 H ASN A 15 21.065 6.176 17.302 1.00 0.00 H new ATOM 0 HA ASN A 15 20.893 4.503 18.733 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.349 3.841 17.183 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.826 2.997 18.643 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.460 5.981 19.295 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.445 4.731 18.046 1.00 0.00 H new ATOM 255 N GLY A 16 22.175 3.222 16.444 1.00 0.00 N ATOM 256 CA GLY A 16 22.935 2.137 15.802 1.00 0.00 C ATOM 257 C GLY A 16 22.358 1.719 14.447 1.00 0.00 C ATOM 258 O GLY A 16 22.999 0.986 13.695 1.00 0.00 O ATOM 0 H GLY A 16 22.520 4.156 16.224 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.968 2.456 15.667 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.952 1.272 16.465 1.00 0.00 H new ATOM 262 N LYS A 17 21.136 2.196 14.141 1.00 0.00 N ATOM 263 CA LYS A 17 20.464 1.987 12.865 1.00 0.00 C ATOM 264 C LYS A 17 20.928 3.090 11.905 1.00 0.00 C ATOM 265 O LYS A 17 21.170 4.218 12.324 1.00 0.00 O ATOM 266 CB LYS A 17 18.903 2.006 13.079 1.00 0.00 C ATOM 267 CG LYS A 17 18.085 2.677 11.953 1.00 0.00 C ATOM 268 CD LYS A 17 16.610 2.973 12.334 1.00 0.00 C ATOM 269 CE LYS A 17 16.494 4.027 13.454 1.00 0.00 C ATOM 270 NZ LYS A 17 15.103 4.523 13.608 1.00 0.00 N ATOM 0 H LYS A 17 20.584 2.749 14.797 1.00 0.00 H new ATOM 0 HA LYS A 17 20.716 1.017 12.437 1.00 0.00 H new ATOM 0 HB2 LYS A 17 18.557 0.979 13.193 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.689 2.520 14.016 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.571 3.611 11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.100 2.033 11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.073 3.323 11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.128 2.050 12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.831 3.594 14.396 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.156 4.865 13.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.989 4.951 14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.906 5.237 12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.438 3.730 13.505 1.00 0.00 H new ATOM 284 N VAL A 18 21.030 2.759 10.617 1.00 0.00 N ATOM 285 CA VAL A 18 21.453 3.706 9.568 1.00 0.00 C ATOM 286 C VAL A 18 20.238 4.096 8.710 1.00 0.00 C ATOM 287 O VAL A 18 19.575 3.231 8.126 1.00 0.00 O ATOM 288 CB VAL A 18 22.592 3.110 8.663 1.00 0.00 C ATOM 289 CG1 VAL A 18 22.995 4.106 7.541 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.824 2.706 9.515 1.00 0.00 C ATOM 0 H VAL A 18 20.822 1.825 10.264 1.00 0.00 H new ATOM 0 HA VAL A 18 21.860 4.592 10.056 1.00 0.00 H new ATOM 0 HB VAL A 18 22.202 2.210 8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.784 3.667 6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.129 4.319 6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.355 5.032 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.597 2.297 8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.212 3.583 10.033 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.529 1.954 10.247 1.00 0.00 H new ATOM 300 N GLU A 19 19.953 5.407 8.657 1.00 0.00 N ATOM 301 CA GLU A 19 18.862 5.981 7.854 1.00 0.00 C ATOM 302 C GLU A 19 19.449 6.833 6.724 1.00 0.00 C ATOM 303 O GLU A 19 20.576 7.329 6.823 1.00 0.00 O ATOM 304 CB GLU A 19 17.927 6.834 8.755 1.00 0.00 C ATOM 305 CG GLU A 19 17.420 6.091 10.006 1.00 0.00 C ATOM 306 CD GLU A 19 16.459 6.913 10.877 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.792 8.061 11.230 1.00 0.00 O ATOM 308 OE2 GLU A 19 15.365 6.412 11.222 1.00 0.00 O ATOM 0 H GLU A 19 20.481 6.107 9.178 1.00 0.00 H new ATOM 0 HA GLU A 19 18.273 5.175 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.460 7.732 9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.070 7.161 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.917 5.176 9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.277 5.793 10.611 1.00 0.00 H new ATOM 315 N TYR A 20 18.667 6.998 5.659 1.00 0.00 N ATOM 316 CA TYR A 20 19.049 7.747 4.456 1.00 0.00 C ATOM 317 C TYR A 20 17.900 8.690 4.078 1.00 0.00 C ATOM 318 O TYR A 20 16.752 8.250 3.981 1.00 0.00 O ATOM 319 CB TYR A 20 19.336 6.776 3.279 1.00 0.00 C ATOM 320 CG TYR A 20 20.565 5.864 3.472 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.464 4.605 4.080 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.832 6.259 3.031 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.573 3.796 4.239 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.934 5.452 3.189 1.00 0.00 C ATOM 325 CZ TYR A 20 22.804 4.226 3.790 1.00 0.00 C ATOM 326 OH TYR A 20 23.912 3.431 3.948 1.00 0.00 O ATOM 0 H TYR A 20 17.727 6.606 5.604 1.00 0.00 H new ATOM 0 HA TYR A 20 19.954 8.319 4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.458 6.149 3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.476 7.362 2.370 1.00 0.00 H new ATOM 0 HD1 TYR A 20 19.502 4.261 4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 20 21.948 7.221 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 20 21.476 2.831 4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.901 5.783 2.840 1.00 0.00 H new ATOM 0 HH TYR A 20 24.638 3.765 3.381 1.00 0.00 H new ATOM 336 N PHE A 21 18.212 9.978 3.862 1.00 0.00 N ATOM 337 CA PHE A 21 17.225 10.999 3.499 1.00 0.00 C ATOM 338 C PHE A 21 16.874 10.829 2.025 1.00 0.00 C ATOM 339 O PHE A 21 17.694 11.107 1.145 1.00 0.00 O ATOM 340 CB PHE A 21 17.798 12.417 3.771 1.00 0.00 C ATOM 341 CG PHE A 21 16.796 13.552 3.594 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.623 13.582 4.345 1.00 0.00 C ATOM 343 CD2 PHE A 21 17.025 14.594 2.700 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.713 14.607 4.200 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.112 15.618 2.554 1.00 0.00 C ATOM 346 CZ PHE A 21 14.957 15.626 3.305 1.00 0.00 C ATOM 0 H PHE A 21 19.163 10.339 3.936 1.00 0.00 H new ATOM 0 HA PHE A 21 16.325 10.883 4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.186 12.448 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.642 12.588 3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.424 12.790 5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.931 14.601 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.808 14.612 4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.303 16.414 1.850 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.244 16.429 3.192 1.00 0.00 H new ATOM 356 N LEU A 22 15.666 10.332 1.775 1.00 0.00 N ATOM 357 CA LEU A 22 15.211 10.008 0.435 1.00 0.00 C ATOM 358 C LEU A 22 14.583 11.223 -0.234 1.00 0.00 C ATOM 359 O LEU A 22 13.631 11.816 0.295 1.00 0.00 O ATOM 360 CB LEU A 22 14.194 8.846 0.458 1.00 0.00 C ATOM 361 CG LEU A 22 14.712 7.460 0.967 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.724 6.357 0.558 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.154 7.146 0.488 1.00 0.00 C ATOM 0 H LEU A 22 14.976 10.144 2.502 1.00 0.00 H new ATOM 0 HA LEU A 22 16.084 9.698 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.353 9.144 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.808 8.713 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 22 14.766 7.502 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.087 5.393 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.748 6.562 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.635 6.333 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.461 6.173 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.180 7.132 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.835 7.912 0.858 1.00 0.00 H new ATOM 375 N LYS A 23 15.140 11.587 -1.393 1.00 0.00 N ATOM 376 CA LYS A 23 14.510 12.502 -2.321 1.00 0.00 C ATOM 377 C LYS A 23 13.408 11.707 -3.037 1.00 0.00 C ATOM 378 O LYS A 23 13.704 11.010 -3.997 1.00 0.00 O ATOM 379 CB LYS A 23 15.563 13.059 -3.352 1.00 0.00 C ATOM 380 CG LYS A 23 15.242 14.437 -3.984 1.00 0.00 C ATOM 381 CD LYS A 23 13.860 14.530 -4.672 1.00 0.00 C ATOM 382 CE LYS A 23 13.641 15.886 -5.354 1.00 0.00 C ATOM 383 NZ LYS A 23 13.819 17.033 -4.414 1.00 0.00 N ATOM 0 H LYS A 23 16.049 11.246 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 23 14.092 13.364 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.529 13.129 -2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.673 12.331 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.297 15.199 -3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.013 14.673 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.770 13.735 -5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.076 14.367 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.340 15.989 -6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.637 15.919 -5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.530 17.915 -4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.233 16.883 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.819 17.101 -4.135 1.00 0.00 H new ATOM 397 N TRP A 24 12.169 11.751 -2.529 1.00 0.00 N ATOM 398 CA TRP A 24 11.031 11.091 -3.191 1.00 0.00 C ATOM 399 C TRP A 24 10.763 11.769 -4.549 1.00 0.00 C ATOM 400 O TRP A 24 10.460 12.965 -4.591 1.00 0.00 O ATOM 401 CB TRP A 24 9.764 11.135 -2.313 1.00 0.00 C ATOM 402 CG TRP A 24 9.878 10.447 -0.970 1.00 0.00 C ATOM 403 CD1 TRP A 24 9.858 11.047 0.245 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.016 9.037 -0.707 1.00 0.00 C ATOM 405 NE1 TRP A 24 9.941 10.120 1.239 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.048 8.881 0.688 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.102 7.896 -1.508 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.160 7.643 1.303 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.226 6.663 -0.896 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.241 6.543 0.498 1.00 0.00 C ATOM 0 H TRP A 24 11.928 12.235 -1.664 1.00 0.00 H new ATOM 0 HA TRP A 24 11.286 10.043 -3.349 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.495 12.178 -2.146 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.943 10.679 -2.867 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.786 12.113 0.403 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.925 10.323 2.239 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.072 7.976 -2.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.182 7.552 2.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.313 5.775 -1.505 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.318 5.563 0.945 1.00 0.00 H new ATOM 421 N LYS A 25 10.906 11.000 -5.641 1.00 0.00 N ATOM 422 CA LYS A 25 10.794 11.517 -7.013 1.00 0.00 C ATOM 423 C LYS A 25 9.334 11.887 -7.341 1.00 0.00 C ATOM 424 O LYS A 25 9.062 12.952 -7.900 1.00 0.00 O ATOM 425 CB LYS A 25 11.343 10.468 -8.020 1.00 0.00 C ATOM 426 CG LYS A 25 11.355 10.940 -9.492 1.00 0.00 C ATOM 427 CD LYS A 25 12.078 9.973 -10.456 1.00 0.00 C ATOM 428 CE LYS A 25 11.452 8.571 -10.502 1.00 0.00 C ATOM 429 NZ LYS A 25 12.146 7.692 -11.477 1.00 0.00 N ATOM 0 H LYS A 25 11.103 10.000 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 25 11.392 12.425 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.359 10.200 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.741 9.562 -7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.327 11.071 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.835 11.917 -9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.069 10.399 -11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.122 9.886 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.495 8.120 -9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.398 8.651 -10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.696 6.754 -11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.083 8.110 -12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.146 7.595 -11.207 1.00 0.00 H new ATOM 443 N GLY A 26 8.399 11.004 -6.940 1.00 0.00 N ATOM 444 CA GLY A 26 6.972 11.172 -7.233 1.00 0.00 C ATOM 445 C GLY A 26 6.210 11.952 -6.161 1.00 0.00 C ATOM 446 O GLY A 26 4.976 11.931 -6.145 1.00 0.00 O ATOM 0 H GLY A 26 8.615 10.161 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.865 11.686 -8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.516 10.189 -7.347 1.00 0.00 H new ATOM 450 N PHE A 27 6.944 12.626 -5.246 1.00 0.00 N ATOM 451 CA PHE A 27 6.364 13.433 -4.142 1.00 0.00 C ATOM 452 C PHE A 27 7.126 14.758 -4.011 1.00 0.00 C ATOM 453 O PHE A 27 8.263 14.867 -4.483 1.00 0.00 O ATOM 454 CB PHE A 27 6.428 12.667 -2.794 1.00 0.00 C ATOM 455 CG PHE A 27 5.659 11.350 -2.779 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.309 11.316 -2.425 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.281 10.140 -3.109 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.612 10.121 -2.398 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.581 8.954 -3.082 1.00 0.00 C ATOM 460 CZ PHE A 27 4.247 8.945 -2.729 1.00 0.00 C ATOM 0 H PHE A 27 7.964 12.627 -5.251 1.00 0.00 H new ATOM 0 HA PHE A 27 5.318 13.628 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.472 12.466 -2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.037 13.311 -2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.802 12.235 -2.169 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.324 10.136 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.569 10.111 -2.117 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.077 8.029 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.700 8.014 -2.712 1.00 0.00 H new ATOM 470 N THR A 28 6.501 15.742 -3.334 1.00 0.00 N ATOM 471 CA THR A 28 7.074 17.083 -3.124 1.00 0.00 C ATOM 472 C THR A 28 8.292 17.043 -2.186 1.00 0.00 C ATOM 473 O THR A 28 8.469 16.093 -1.409 1.00 0.00 O ATOM 474 CB THR A 28 5.989 18.084 -2.580 1.00 0.00 C ATOM 475 OG1 THR A 28 5.286 17.494 -1.474 1.00 0.00 O ATOM 476 CG2 THR A 28 4.980 18.494 -3.678 1.00 0.00 C ATOM 0 H THR A 28 5.578 15.626 -2.915 1.00 0.00 H new ATOM 0 HA THR A 28 7.416 17.441 -4.095 1.00 0.00 H new ATOM 0 HB THR A 28 6.509 18.984 -2.251 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.614 18.124 -1.140 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.248 19.186 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.511 18.979 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.469 17.607 -4.052 1.00 0.00 H new ATOM 484 N ASP A 29 9.116 18.105 -2.273 1.00 0.00 N ATOM 485 CA ASP A 29 10.392 18.205 -1.550 1.00 0.00 C ATOM 486 C ASP A 29 10.163 18.266 -0.032 1.00 0.00 C ATOM 487 O ASP A 29 10.914 17.682 0.740 1.00 0.00 O ATOM 488 CB ASP A 29 11.182 19.451 -2.010 1.00 0.00 C ATOM 489 CG ASP A 29 12.640 19.448 -1.513 1.00 0.00 C ATOM 490 OD1 ASP A 29 13.499 18.846 -2.194 1.00 0.00 O ATOM 491 OD2 ASP A 29 12.931 20.038 -0.442 1.00 0.00 O ATOM 0 H ASP A 29 8.911 18.920 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 29 10.973 17.311 -1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.174 19.500 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.681 20.348 -1.647 1.00 0.00 H new ATOM 496 N ALA A 30 9.102 18.980 0.374 1.00 0.00 N ATOM 497 CA ALA A 30 8.695 19.097 1.791 1.00 0.00 C ATOM 498 C ALA A 30 8.251 17.733 2.379 1.00 0.00 C ATOM 499 O ALA A 30 8.232 17.548 3.599 1.00 0.00 O ATOM 500 CB ALA A 30 7.572 20.139 1.922 1.00 0.00 C ATOM 0 H ALA A 30 8.499 19.494 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 30 9.560 19.425 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.274 20.223 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.930 21.106 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.715 19.828 1.324 1.00 0.00 H new ATOM 506 N ASP A 31 7.902 16.790 1.485 1.00 0.00 N ATOM 507 CA ASP A 31 7.427 15.440 1.853 1.00 0.00 C ATOM 508 C ASP A 31 8.595 14.411 1.813 1.00 0.00 C ATOM 509 O ASP A 31 8.398 13.234 2.111 1.00 0.00 O ATOM 510 CB ASP A 31 6.261 15.041 0.894 1.00 0.00 C ATOM 511 CG ASP A 31 5.395 13.851 1.351 1.00 0.00 C ATOM 512 OD1 ASP A 31 5.281 13.597 2.569 1.00 0.00 O ATOM 513 OD2 ASP A 31 4.793 13.182 0.484 1.00 0.00 O ATOM 0 H ASP A 31 7.941 16.943 0.477 1.00 0.00 H new ATOM 0 HA ASP A 31 7.053 15.443 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.613 15.907 0.760 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.683 14.805 -0.083 1.00 0.00 H new ATOM 518 N ASN A 32 9.814 14.874 1.419 1.00 0.00 N ATOM 519 CA ASN A 32 11.064 14.064 1.480 1.00 0.00 C ATOM 520 C ASN A 32 11.423 13.740 2.943 1.00 0.00 C ATOM 521 O ASN A 32 11.481 14.646 3.779 1.00 0.00 O ATOM 522 CB ASN A 32 12.224 14.817 0.765 1.00 0.00 C ATOM 523 CG ASN A 32 12.093 14.926 -0.771 1.00 0.00 C ATOM 524 OD1 ASN A 32 13.067 15.246 -1.453 1.00 0.00 O ATOM 525 ND2 ASN A 32 10.915 14.677 -1.338 1.00 0.00 N ATOM 0 H ASN A 32 9.957 15.815 1.052 1.00 0.00 H new ATOM 0 HA ASN A 32 10.903 13.119 0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.292 15.823 1.180 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.161 14.312 0.998 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.810 14.750 -2.350 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.117 14.413 -0.761 1.00 0.00 H new ATOM 532 N THR A 33 11.673 12.440 3.235 1.00 0.00 N ATOM 533 CA THR A 33 11.811 11.927 4.624 1.00 0.00 C ATOM 534 C THR A 33 12.972 10.905 4.754 1.00 0.00 C ATOM 535 O THR A 33 13.403 10.304 3.764 1.00 0.00 O ATOM 536 CB THR A 33 10.465 11.268 5.123 1.00 0.00 C ATOM 537 OG1 THR A 33 9.981 10.330 4.152 1.00 0.00 O ATOM 538 CG2 THR A 33 9.358 12.303 5.417 1.00 0.00 C ATOM 0 H THR A 33 11.784 11.720 2.521 1.00 0.00 H new ATOM 0 HA THR A 33 12.043 12.787 5.253 1.00 0.00 H new ATOM 0 HB THR A 33 10.701 10.762 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.198 9.419 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.459 11.788 5.756 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.698 12.989 6.193 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.134 12.864 4.510 1.00 0.00 H new ATOM 546 N TRP A 34 13.457 10.732 6.005 1.00 0.00 N ATOM 547 CA TRP A 34 14.533 9.776 6.368 1.00 0.00 C ATOM 548 C TRP A 34 13.980 8.352 6.522 1.00 0.00 C ATOM 549 O TRP A 34 13.115 8.121 7.370 1.00 0.00 O ATOM 550 CB TRP A 34 15.193 10.185 7.713 1.00 0.00 C ATOM 551 CG TRP A 34 16.014 11.446 7.663 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.596 12.730 7.871 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.411 11.518 7.394 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.659 13.589 7.755 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.782 12.865 7.455 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.381 10.555 7.108 1.00 0.00 C ATOM 557 CZ2 TRP A 34 19.095 13.279 7.241 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.673 10.964 6.883 1.00 0.00 C ATOM 559 CH2 TRP A 34 20.022 12.314 6.954 1.00 0.00 C ATOM 0 H TRP A 34 13.107 11.260 6.804 1.00 0.00 H new ATOM 0 HA TRP A 34 15.268 9.798 5.564 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.410 10.309 8.461 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.830 9.368 8.051 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.581 13.024 8.093 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.620 14.601 7.873 1.00 0.00 H new ATOM 0 HE3 TRP A 34 18.120 9.508 7.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 19.371 14.322 7.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.430 10.230 6.648 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.048 12.604 6.778 1.00 0.00 H new ATOM 570 N GLU A 35 14.501 7.398 5.729 1.00 0.00 N ATOM 571 CA GLU A 35 14.085 5.982 5.779 1.00 0.00 C ATOM 572 C GLU A 35 15.300 5.069 6.064 1.00 0.00 C ATOM 573 O GLU A 35 16.337 5.226 5.411 1.00 0.00 O ATOM 574 CB GLU A 35 13.429 5.562 4.433 1.00 0.00 C ATOM 575 CG GLU A 35 12.239 6.425 3.967 1.00 0.00 C ATOM 576 CD GLU A 35 11.180 6.668 5.053 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.701 5.694 5.663 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.842 7.831 5.328 1.00 0.00 O ATOM 0 H GLU A 35 15.223 7.586 5.034 1.00 0.00 H new ATOM 0 HA GLU A 35 13.358 5.871 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.194 5.582 3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.092 4.529 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.615 7.387 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.765 5.941 3.113 1.00 0.00 H new ATOM 585 N PRO A 36 15.190 4.074 7.008 1.00 0.00 N ATOM 586 CA PRO A 36 16.307 3.151 7.338 1.00 0.00 C ATOM 587 C PRO A 36 16.587 2.156 6.191 1.00 0.00 C ATOM 588 O PRO A 36 15.690 1.851 5.403 1.00 0.00 O ATOM 589 CB PRO A 36 15.810 2.435 8.622 1.00 0.00 C ATOM 590 CG PRO A 36 14.313 2.453 8.505 1.00 0.00 C ATOM 591 CD PRO A 36 13.970 3.757 7.802 1.00 0.00 C ATOM 0 HA PRO A 36 17.256 3.667 7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.192 1.416 8.681 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.144 2.953 9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.955 1.595 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.843 2.402 9.487 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.095 3.646 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.743 4.548 8.517 1.00 0.00 H new ATOM 599 N GLU A 37 17.837 1.653 6.130 1.00 0.00 N ATOM 600 CA GLU A 37 18.332 0.762 5.048 1.00 0.00 C ATOM 601 C GLU A 37 17.491 -0.534 4.886 1.00 0.00 C ATOM 602 O GLU A 37 17.406 -1.097 3.787 1.00 0.00 O ATOM 603 CB GLU A 37 19.861 0.462 5.246 1.00 0.00 C ATOM 604 CG GLU A 37 20.326 0.139 6.697 1.00 0.00 C ATOM 605 CD GLU A 37 19.704 -1.128 7.303 1.00 0.00 C ATOM 606 OE1 GLU A 37 20.108 -2.243 6.916 1.00 0.00 O ATOM 607 OE2 GLU A 37 18.784 -1.020 8.148 1.00 0.00 O ATOM 0 H GLU A 37 18.544 1.854 6.837 1.00 0.00 H new ATOM 0 HA GLU A 37 18.208 1.297 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.129 -0.380 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.426 1.324 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.411 0.033 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.086 0.987 7.338 1.00 0.00 H new ATOM 614 N GLU A 38 16.879 -0.984 5.993 1.00 0.00 N ATOM 615 CA GLU A 38 16.016 -2.180 6.032 1.00 0.00 C ATOM 616 C GLU A 38 14.717 -1.937 5.235 1.00 0.00 C ATOM 617 O GLU A 38 14.221 -2.821 4.535 1.00 0.00 O ATOM 618 CB GLU A 38 15.693 -2.526 7.509 1.00 0.00 C ATOM 619 CG GLU A 38 14.980 -1.387 8.275 1.00 0.00 C ATOM 620 CD GLU A 38 14.593 -1.761 9.703 1.00 0.00 C ATOM 621 OE1 GLU A 38 13.565 -2.445 9.884 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.311 -1.376 10.647 1.00 0.00 O ATOM 0 H GLU A 38 16.969 -0.523 6.898 1.00 0.00 H new ATOM 0 HA GLU A 38 16.539 -3.018 5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.066 -3.417 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.620 -2.774 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.632 -0.514 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.083 -1.098 7.728 1.00 0.00 H new ATOM 629 N ASN A 39 14.211 -0.703 5.345 1.00 0.00 N ATOM 630 CA ASN A 39 12.967 -0.240 4.719 1.00 0.00 C ATOM 631 C ASN A 39 13.188 0.048 3.222 1.00 0.00 C ATOM 632 O ASN A 39 12.242 0.019 2.417 1.00 0.00 O ATOM 633 CB ASN A 39 12.516 1.035 5.484 1.00 0.00 C ATOM 634 CG ASN A 39 11.233 1.672 4.973 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.318 0.987 4.541 1.00 0.00 O ATOM 636 ND2 ASN A 39 11.164 2.989 5.026 1.00 0.00 N ATOM 0 H ASN A 39 14.672 0.025 5.891 1.00 0.00 H new ATOM 0 HA ASN A 39 12.193 -1.005 4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.384 0.781 6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.316 1.773 5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.326 3.469 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.949 3.526 5.394 1.00 0.00 H new ATOM 643 N LEU A 40 14.457 0.311 2.863 1.00 0.00 N ATOM 644 CA LEU A 40 14.859 0.641 1.489 1.00 0.00 C ATOM 645 C LEU A 40 14.861 -0.605 0.607 1.00 0.00 C ATOM 646 O LEU A 40 15.304 -1.675 1.030 1.00 0.00 O ATOM 647 CB LEU A 40 16.251 1.329 1.477 1.00 0.00 C ATOM 648 CG LEU A 40 16.365 2.597 2.378 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.728 3.279 2.252 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.227 3.582 2.107 1.00 0.00 C ATOM 0 H LEU A 40 15.235 0.300 3.523 1.00 0.00 H new ATOM 0 HA LEU A 40 14.129 1.340 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.001 0.605 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.494 1.607 0.451 1.00 0.00 H new ATOM 0 HG LEU A 40 16.274 2.256 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.757 4.156 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.512 2.583 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.888 3.585 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.339 4.453 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.259 3.897 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.271 3.099 2.311 1.00 0.00 H new ATOM 662 N ASP A 41 14.341 -0.446 -0.613 1.00 0.00 N ATOM 663 CA ASP A 41 14.311 -1.506 -1.640 1.00 0.00 C ATOM 664 C ASP A 41 15.260 -1.131 -2.802 1.00 0.00 C ATOM 665 O ASP A 41 15.269 -1.777 -3.854 1.00 0.00 O ATOM 666 CB ASP A 41 12.842 -1.693 -2.127 1.00 0.00 C ATOM 667 CG ASP A 41 12.625 -2.971 -2.952 1.00 0.00 C ATOM 668 OD1 ASP A 41 12.698 -4.080 -2.372 1.00 0.00 O ATOM 669 OD2 ASP A 41 12.382 -2.880 -4.180 1.00 0.00 O ATOM 0 H ASP A 41 13.923 0.430 -0.925 1.00 0.00 H new ATOM 0 HA ASP A 41 14.658 -2.452 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.181 -1.713 -1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.555 -0.830 -2.727 1.00 0.00 H new ATOM 674 N CYS A 42 16.090 -0.088 -2.581 1.00 0.00 N ATOM 675 CA CYS A 42 16.991 0.475 -3.604 1.00 0.00 C ATOM 676 C CYS A 42 18.478 0.281 -3.205 1.00 0.00 C ATOM 677 O CYS A 42 19.047 1.133 -2.511 1.00 0.00 O ATOM 678 CB CYS A 42 16.651 1.972 -3.790 1.00 0.00 C ATOM 679 SG CYS A 42 16.696 2.946 -2.268 1.00 0.00 S ATOM 0 H CYS A 42 16.152 0.388 -1.681 1.00 0.00 H new ATOM 0 HA CYS A 42 16.846 -0.050 -4.548 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.352 2.405 -4.504 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.657 2.054 -4.229 1.00 0.00 H new ATOM 0 HG CYS A 42 17.783 2.673 -1.610 1.00 0.00 H new ATOM 685 N PRO A 43 19.136 -0.854 -3.622 1.00 0.00 N ATOM 686 CA PRO A 43 20.600 -1.048 -3.433 1.00 0.00 C ATOM 687 C PRO A 43 21.429 -0.186 -4.418 1.00 0.00 C ATOM 688 O PRO A 43 22.590 0.143 -4.143 1.00 0.00 O ATOM 689 CB PRO A 43 20.796 -2.563 -3.691 1.00 0.00 C ATOM 690 CG PRO A 43 19.691 -2.926 -4.639 1.00 0.00 C ATOM 691 CD PRO A 43 18.513 -2.049 -4.258 1.00 0.00 C ATOM 0 HA PRO A 43 20.942 -0.738 -2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.775 -2.769 -4.124 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.730 -3.135 -2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 43 19.990 -2.752 -5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.435 -3.982 -4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.923 -1.773 -5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.841 -2.562 -3.569 1.00 0.00 H new ATOM 699 N GLU A 44 20.797 0.162 -5.566 1.00 0.00 N ATOM 700 CA GLU A 44 21.367 1.038 -6.609 1.00 0.00 C ATOM 701 C GLU A 44 21.766 2.404 -6.022 1.00 0.00 C ATOM 702 O GLU A 44 22.911 2.848 -6.160 1.00 0.00 O ATOM 703 CB GLU A 44 20.318 1.234 -7.748 1.00 0.00 C ATOM 704 CG GLU A 44 20.712 2.213 -8.876 1.00 0.00 C ATOM 705 CD GLU A 44 21.951 1.771 -9.668 1.00 0.00 C ATOM 706 OE1 GLU A 44 21.810 0.988 -10.630 1.00 0.00 O ATOM 707 OE2 GLU A 44 23.072 2.211 -9.339 1.00 0.00 O ATOM 0 H GLU A 44 19.859 -0.167 -5.793 1.00 0.00 H new ATOM 0 HA GLU A 44 22.264 0.567 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.112 0.261 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.387 1.583 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.872 2.321 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.899 3.196 -8.444 1.00 0.00 H new ATOM 714 N LEU A 45 20.798 3.038 -5.334 1.00 0.00 N ATOM 715 CA LEU A 45 20.954 4.399 -4.778 1.00 0.00 C ATOM 716 C LEU A 45 21.952 4.437 -3.613 1.00 0.00 C ATOM 717 O LEU A 45 22.659 5.427 -3.449 1.00 0.00 O ATOM 718 CB LEU A 45 19.582 4.969 -4.340 1.00 0.00 C ATOM 719 CG LEU A 45 18.565 5.222 -5.492 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.258 5.824 -4.944 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.183 6.093 -6.618 1.00 0.00 C ATOM 0 H LEU A 45 19.885 2.623 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 45 21.360 5.027 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.132 4.279 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.749 5.908 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 45 18.319 4.261 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.562 5.992 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.812 5.134 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.473 6.772 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.444 6.249 -7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.485 7.057 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.054 5.586 -7.033 1.00 0.00 H new ATOM 733 N ILE A 46 22.006 3.353 -2.817 1.00 0.00 N ATOM 734 CA ILE A 46 22.947 3.241 -1.677 1.00 0.00 C ATOM 735 C ILE A 46 24.393 3.134 -2.185 1.00 0.00 C ATOM 736 O ILE A 46 25.278 3.850 -1.715 1.00 0.00 O ATOM 737 CB ILE A 46 22.589 2.011 -0.757 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.107 2.122 -0.281 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.566 1.890 0.450 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.797 3.380 0.504 1.00 0.00 C ATOM 0 H ILE A 46 21.407 2.536 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 46 22.854 4.144 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 46 22.702 1.099 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.454 2.081 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.870 1.255 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.286 1.031 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.584 1.758 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.513 2.796 1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.747 3.377 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 46 21.422 3.415 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.999 4.254 -0.115 1.00 0.00 H new ATOM 752 N GLU A 47 24.588 2.261 -3.185 1.00 0.00 N ATOM 753 CA GLU A 47 25.894 2.036 -3.837 1.00 0.00 C ATOM 754 C GLU A 47 26.434 3.346 -4.426 1.00 0.00 C ATOM 755 O GLU A 47 27.544 3.782 -4.099 1.00 0.00 O ATOM 756 CB GLU A 47 25.742 0.983 -4.968 1.00 0.00 C ATOM 757 CG GLU A 47 27.048 0.625 -5.706 1.00 0.00 C ATOM 758 CD GLU A 47 28.074 -0.099 -4.816 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.969 -1.330 -4.652 1.00 0.00 O ATOM 760 OE2 GLU A 47 28.988 0.554 -4.269 1.00 0.00 O ATOM 0 H GLU A 47 23.839 1.685 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 47 26.597 1.670 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.322 0.072 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.021 1.356 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.811 -0.006 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.497 1.538 -6.097 1.00 0.00 H new ATOM 767 N ALA A 48 25.586 3.973 -5.257 1.00 0.00 N ATOM 768 CA ALA A 48 25.904 5.215 -5.977 1.00 0.00 C ATOM 769 C ALA A 48 26.248 6.363 -5.013 1.00 0.00 C ATOM 770 O ALA A 48 27.249 7.050 -5.196 1.00 0.00 O ATOM 771 CB ALA A 48 24.727 5.608 -6.885 1.00 0.00 C ATOM 0 H ALA A 48 24.647 3.626 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 48 26.787 5.032 -6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.969 6.529 -7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.542 4.812 -7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.835 5.762 -6.278 1.00 0.00 H new ATOM 777 N PHE A 49 25.411 6.526 -3.973 1.00 0.00 N ATOM 778 CA PHE A 49 25.546 7.598 -2.959 1.00 0.00 C ATOM 779 C PHE A 49 26.874 7.488 -2.176 1.00 0.00 C ATOM 780 O PHE A 49 27.628 8.466 -2.093 1.00 0.00 O ATOM 781 CB PHE A 49 24.334 7.554 -1.991 1.00 0.00 C ATOM 782 CG PHE A 49 24.436 8.495 -0.799 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.413 9.879 -0.975 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.548 7.998 0.504 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.510 10.730 0.105 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.644 8.854 1.579 1.00 0.00 C ATOM 787 CZ PHE A 49 24.621 10.218 1.382 1.00 0.00 C ATOM 0 H PHE A 49 24.612 5.913 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 49 25.561 8.556 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.431 7.796 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.218 6.535 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.318 10.289 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.559 6.931 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.499 11.799 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 49 24.737 8.455 2.578 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.690 10.887 2.227 1.00 0.00 H new ATOM 797 N LEU A 50 27.142 6.287 -1.617 1.00 0.00 N ATOM 798 CA LEU A 50 28.346 6.020 -0.789 1.00 0.00 C ATOM 799 C LEU A 50 29.644 6.238 -1.603 1.00 0.00 C ATOM 800 O LEU A 50 30.660 6.704 -1.065 1.00 0.00 O ATOM 801 CB LEU A 50 28.292 4.580 -0.201 1.00 0.00 C ATOM 802 CG LEU A 50 27.124 4.273 0.802 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.144 2.793 1.231 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.153 5.218 2.027 1.00 0.00 C ATOM 0 H LEU A 50 26.533 5.476 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 50 28.354 6.729 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.223 3.876 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.237 4.383 0.306 1.00 0.00 H new ATOM 0 HG LEU A 50 26.185 4.460 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.326 2.604 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.028 2.158 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.093 2.568 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.328 4.972 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.098 5.098 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.053 6.251 1.692 1.00 0.00 H new ATOM 816 N ASN A 51 29.578 5.928 -2.913 1.00 0.00 N ATOM 817 CA ASN A 51 30.706 6.117 -3.854 1.00 0.00 C ATOM 818 C ASN A 51 30.890 7.602 -4.224 1.00 0.00 C ATOM 819 O ASN A 51 32.026 8.081 -4.315 1.00 0.00 O ATOM 820 CB ASN A 51 30.510 5.250 -5.132 1.00 0.00 C ATOM 821 CG ASN A 51 30.621 3.743 -4.860 1.00 0.00 C ATOM 822 OD1 ASN A 51 31.316 3.315 -3.938 1.00 0.00 O ATOM 823 ND2 ASN A 51 29.959 2.931 -5.666 1.00 0.00 N ATOM 0 H ASN A 51 28.743 5.540 -3.351 1.00 0.00 H new ATOM 0 HA ASN A 51 31.615 5.787 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 51 29.532 5.464 -5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 51 31.255 5.535 -5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 51 30.016 1.921 -5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 51 29.391 3.314 -6.422 1.00 0.00 H new ATOM 830 N SER A 52 29.760 8.328 -4.378 1.00 0.00 N ATOM 831 CA SER A 52 29.747 9.765 -4.757 1.00 0.00 C ATOM 832 C SER A 52 30.268 10.672 -3.624 1.00 0.00 C ATOM 833 O SER A 52 30.565 11.844 -3.864 1.00 0.00 O ATOM 834 CB SER A 52 28.317 10.203 -5.165 1.00 0.00 C ATOM 835 OG SER A 52 27.857 9.470 -6.282 1.00 0.00 O ATOM 0 H SER A 52 28.828 7.936 -4.243 1.00 0.00 H new ATOM 0 HA SER A 52 30.420 9.877 -5.607 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.636 10.058 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.313 11.268 -5.399 1.00 0.00 H new ATOM 0 HG SER A 52 27.593 8.570 -5.997 1.00 0.00 H new ATOM 954 N GLN B 5 14.197 1.674 -8.001 1.00 0.00 N ATOM 955 CA GLN B 5 14.664 2.464 -6.858 1.00 0.00 C ATOM 956 C GLN B 5 13.470 3.056 -6.091 1.00 0.00 C ATOM 957 O GLN B 5 13.031 4.187 -6.331 1.00 0.00 O ATOM 958 CB GLN B 5 15.691 3.531 -7.332 1.00 0.00 C ATOM 959 CG GLN B 5 15.281 4.357 -8.569 1.00 0.00 C ATOM 960 CD GLN B 5 16.369 5.322 -9.028 1.00 0.00 C ATOM 961 OE1 GLN B 5 17.233 4.978 -9.815 1.00 0.00 O ATOM 962 NE2 GLN B 5 16.349 6.525 -8.514 1.00 0.00 N ATOM 0 HA GLN B 5 15.189 1.822 -6.151 1.00 0.00 H new ATOM 0 HB2 GLN B 5 15.880 4.218 -6.507 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.633 3.029 -7.550 1.00 0.00 H new ATOM 0 HG2 GLN B 5 15.036 3.679 -9.387 1.00 0.00 H new ATOM 0 HG3 GLN B 5 14.377 4.920 -8.339 1.00 0.00 H new ATOM 0 HE21 GLN B 5 15.614 6.787 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.069 7.201 -8.770 1.00 0.00 H new ATOM 971 N THR B 6 12.925 2.228 -5.184 1.00 0.00 N ATOM 972 CA THR B 6 11.746 2.542 -4.361 1.00 0.00 C ATOM 973 C THR B 6 12.004 2.149 -2.892 1.00 0.00 C ATOM 974 O THR B 6 13.056 1.574 -2.566 1.00 0.00 O ATOM 975 CB THR B 6 10.478 1.793 -4.907 1.00 0.00 C ATOM 976 OG1 THR B 6 10.745 0.379 -5.010 1.00 0.00 O ATOM 977 CG2 THR B 6 10.027 2.329 -6.279 1.00 0.00 C ATOM 0 H THR B 6 13.302 1.299 -4.999 1.00 0.00 H new ATOM 0 HA THR B 6 11.563 3.615 -4.413 1.00 0.00 H new ATOM 0 HB THR B 6 9.670 1.972 -4.198 1.00 0.00 H new ATOM 0 HG1 THR B 6 9.949 -0.080 -5.349 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.147 1.779 -6.613 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.782 3.388 -6.193 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.832 2.200 -7.002 1.00 0.00 H new ATOM 985 N ALA B 7 11.037 2.479 -2.019 1.00 0.00 N ATOM 986 CA ALA B 7 11.061 2.156 -0.579 1.00 0.00 C ATOM 987 C ALA B 7 9.676 2.397 0.035 1.00 0.00 C ATOM 988 O ALA B 7 8.850 3.107 -0.556 1.00 0.00 O ATOM 989 CB ALA B 7 12.116 3.003 0.155 1.00 0.00 C ATOM 0 H ALA B 7 10.199 2.988 -2.299 1.00 0.00 H new ATOM 0 HA ALA B 7 11.326 1.105 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.115 2.747 1.215 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.101 2.802 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.880 4.061 0.037 1.00 0.00 H new ATOM 995 N ARG B 8 9.429 1.795 1.218 1.00 0.00 N ATOM 996 CA ARG B 8 8.192 2.017 2.008 1.00 0.00 C ATOM 997 C ARG B 8 8.455 3.184 2.978 1.00 0.00 C ATOM 998 O ARG B 8 9.436 3.934 2.804 1.00 0.00 O ATOM 999 CB ARG B 8 7.732 0.714 2.774 1.00 0.00 C ATOM 1000 CG ARG B 8 7.768 -0.608 1.950 1.00 0.00 C ATOM 1001 CD ARG B 8 9.174 -1.229 1.879 1.00 0.00 C ATOM 1002 NE ARG B 8 9.284 -2.279 0.854 1.00 0.00 N ATOM 1003 CZ ARG B 8 10.435 -2.842 0.463 1.00 0.00 C ATOM 1004 NH1 ARG B 8 11.590 -2.457 0.991 1.00 0.00 N ATOM 1005 NH2 ARG B 8 10.425 -3.773 -0.474 1.00 0.00 N ATOM 0 H ARG B 8 10.079 1.141 1.655 1.00 0.00 H new ATOM 0 HA ARG B 8 7.370 2.267 1.337 1.00 0.00 H new ATOM 0 HB2 ARG B 8 8.365 0.589 3.652 1.00 0.00 H new ATOM 0 HB3 ARG B 8 6.715 0.868 3.134 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.080 -1.327 2.395 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.412 -0.410 0.939 1.00 0.00 H new ATOM 0 HD2 ARG B 8 9.902 -0.445 1.669 1.00 0.00 H new ATOM 0 HD3 ARG B 8 9.430 -1.649 2.852 1.00 0.00 H new ATOM 0 HE ARG B 8 8.424 -2.601 0.410 1.00 0.00 H new ATOM 0 HH11 ARG B 8 11.607 -1.726 1.702 1.00 0.00 H new ATOM 0 HH12 ARG B 8 12.461 -2.892 0.686 1.00 0.00 H new ATOM 0 HH21 ARG B 8 9.543 -4.061 -0.897 1.00 0.00 H new ATOM 0 HH22 ARG B 8 11.299 -4.204 -0.774 1.00 0.00 H new