USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 614 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 52 SER OG : rot 116:sc= 0.977 USER MOD Set 1.2: A 57 HIS :FLIP no HD1:sc= 0.823 F(o=-0.27,f=1.8) USER MOD Set 2.1: A 38 ASN : amide:sc= 1.02 K(o=2.3,f=-0.63) USER MOD Set 2.2: A 51 TYR OH : rot -149:sc= 1.25 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.628 USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.22) USER MOD Single : A 18 ASN : amide:sc= -0.0338 X(o=-0.034,f=-0.034) USER MOD Single : A 19 THR OG1 : rot 3:sc= 0.97 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.61 F(o=-7.3!,f=-1.6) USER MOD Single : A 29 THR OG1 : rot -100:sc= 1.09 USER MOD Single : A 32 GLN : amide:sc= -0.235 X(o=-0.23,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -144:sc= 1.59 USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0581) USER MOD Single : A 71 ASN : amide:sc= -0.029 K(o=-0.029,f=-1.1) USER MOD Single : A 72 TYR OH : rot 100:sc=-0.00512 USER MOD Single : A 74 LYS NZ :NH3+ 178:sc= 1.09 (180deg=1.08) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.489 F(o=-1.2,f=-0.49) USER MOD Single : A 78 THR OG1 : rot -35:sc= 0.93 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= -0.031 (180deg=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -11.616 -0.168 3.339 1.00 0.00 N ATOM 2 CA LYS A 5 -11.884 0.472 2.059 1.00 0.00 C ATOM 3 C LYS A 5 -10.792 1.509 1.790 1.00 0.00 C ATOM 4 O LYS A 5 -10.740 2.124 0.728 1.00 0.00 O ATOM 5 CB LYS A 5 -13.268 1.136 2.048 1.00 0.00 C ATOM 6 CG LYS A 5 -14.403 0.193 2.416 1.00 0.00 C ATOM 7 CD LYS A 5 -15.746 0.711 1.932 1.00 0.00 C ATOM 8 CE LYS A 5 -15.808 0.742 0.411 1.00 0.00 C ATOM 9 NZ LYS A 5 -17.146 1.142 -0.092 1.00 0.00 N ATOM 0 HA LYS A 5 -11.880 -0.284 1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.264 1.974 2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.456 1.547 1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.215 -0.789 1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.432 0.064 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.544 0.077 2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.916 1.713 2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.058 1.437 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.555 -0.243 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.138 1.148 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.860 0.465 0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.378 2.093 0.258 1.00 0.00 H new ATOM 23 N LEU A 6 -9.905 1.666 2.774 1.00 0.00 N ATOM 24 CA LEU A 6 -8.846 2.672 2.724 1.00 0.00 C ATOM 25 C LEU A 6 -7.520 2.041 2.312 1.00 0.00 C ATOM 26 O LEU A 6 -6.604 2.726 1.841 1.00 0.00 O ATOM 27 CB LEU A 6 -8.680 3.345 4.096 1.00 0.00 C ATOM 28 CG LEU A 6 -9.612 4.529 4.390 1.00 0.00 C ATOM 29 CD1 LEU A 6 -9.354 5.665 3.415 1.00 0.00 C ATOM 30 CD2 LEU A 6 -11.073 4.108 4.347 1.00 0.00 C ATOM 0 H LEU A 6 -9.901 1.102 3.624 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.131 3.420 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.832 2.590 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.650 3.690 4.185 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.397 4.881 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.024 6.495 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.320 5.997 3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.533 5.319 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.706 4.969 4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.310 3.718 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.251 3.334 5.094 1.00 0.00 H new ATOM 42 N ARG A 7 -7.423 0.732 2.478 1.00 0.00 N ATOM 43 CA ARG A 7 -6.189 0.028 2.194 1.00 0.00 C ATOM 44 C ARG A 7 -5.922 0.079 0.694 1.00 0.00 C ATOM 45 O ARG A 7 -4.778 0.202 0.264 1.00 0.00 O ATOM 46 CB ARG A 7 -6.259 -1.416 2.719 1.00 0.00 C ATOM 47 CG ARG A 7 -6.434 -1.506 4.230 1.00 0.00 C ATOM 48 CD ARG A 7 -5.430 -0.638 4.963 1.00 0.00 C ATOM 49 NE ARG A 7 -5.566 -0.730 6.418 1.00 0.00 N ATOM 50 CZ ARG A 7 -5.688 0.332 7.220 1.00 0.00 C ATOM 51 NH1 ARG A 7 -5.796 1.549 6.700 1.00 0.00 N ATOM 52 NH2 ARG A 7 -5.698 0.183 8.539 1.00 0.00 N ATOM 0 H ARG A 7 -8.184 0.139 2.808 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.358 0.511 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.088 -1.931 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.348 -1.942 2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.445 -1.199 4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.320 -2.542 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.421 -0.934 4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.558 0.400 4.654 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.568 -1.657 6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.786 1.674 5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.889 2.359 7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.612 -0.748 8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.792 0.999 9.144 1.00 0.00 H new ATOM 66 N TYR A 8 -7.001 0.032 -0.091 1.00 0.00 N ATOM 67 CA TYR A 8 -6.922 0.241 -1.535 1.00 0.00 C ATOM 68 C TYR A 8 -6.310 1.600 -1.862 1.00 0.00 C ATOM 69 O TYR A 8 -5.505 1.718 -2.785 1.00 0.00 O ATOM 70 CB TYR A 8 -8.309 0.142 -2.185 1.00 0.00 C ATOM 71 CG TYR A 8 -8.356 0.717 -3.586 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.784 0.044 -4.656 1.00 0.00 C ATOM 73 CD2 TYR A 8 -8.955 1.947 -3.828 1.00 0.00 C ATOM 74 CE1 TYR A 8 -7.807 0.581 -5.930 1.00 0.00 C ATOM 75 CE2 TYR A 8 -8.986 2.488 -5.097 1.00 0.00 C ATOM 76 CZ TYR A 8 -8.407 1.803 -6.145 1.00 0.00 C ATOM 77 OH TYR A 8 -8.428 2.345 -7.413 1.00 0.00 O ATOM 0 H TYR A 8 -7.944 -0.150 0.254 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.282 -0.544 -1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.613 -0.904 -2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.034 0.665 -1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.314 -0.914 -4.491 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.404 2.489 -3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.357 0.045 -6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.461 3.443 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.890 3.209 -7.392 1.00 0.00 H new ATOM 87 N ALA A 9 -6.694 2.623 -1.107 1.00 0.00 N ATOM 88 CA ALA A 9 -6.206 3.973 -1.351 1.00 0.00 C ATOM 89 C ALA A 9 -4.697 4.029 -1.190 1.00 0.00 C ATOM 90 O ALA A 9 -4.013 4.751 -1.914 1.00 0.00 O ATOM 91 CB ALA A 9 -6.878 4.966 -0.418 1.00 0.00 C ATOM 0 H ALA A 9 -7.341 2.542 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.456 4.246 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.498 5.968 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.956 4.947 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.663 4.696 0.616 1.00 0.00 H new ATOM 97 N ILE A 10 -4.184 3.249 -0.253 1.00 0.00 N ATOM 98 CA ILE A 10 -2.744 3.169 -0.053 1.00 0.00 C ATOM 99 C ILE A 10 -2.065 2.358 -1.171 1.00 0.00 C ATOM 100 O ILE A 10 -0.923 2.630 -1.538 1.00 0.00 O ATOM 101 CB ILE A 10 -2.402 2.619 1.348 1.00 0.00 C ATOM 102 CG1 ILE A 10 -2.955 3.594 2.397 1.00 0.00 C ATOM 103 CG2 ILE A 10 -0.896 2.426 1.517 1.00 0.00 C ATOM 104 CD1 ILE A 10 -2.511 3.315 3.809 1.00 0.00 C ATOM 0 H ILE A 10 -4.736 2.667 0.377 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.345 4.182 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.860 1.638 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.652 4.606 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.044 3.567 2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.689 2.038 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.534 1.720 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.390 3.383 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.950 4.053 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.837 2.317 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.424 3.373 3.867 1.00 0.00 H new ATOM 116 N LEU A 11 -2.765 1.383 -1.745 1.00 0.00 N ATOM 117 CA LEU A 11 -2.261 0.738 -2.958 1.00 0.00 C ATOM 118 C LEU A 11 -2.254 1.748 -4.101 1.00 0.00 C ATOM 119 O LEU A 11 -1.360 1.751 -4.946 1.00 0.00 O ATOM 120 CB LEU A 11 -3.096 -0.483 -3.366 1.00 0.00 C ATOM 121 CG LEU A 11 -2.717 -1.804 -2.690 1.00 0.00 C ATOM 122 CD1 LEU A 11 -3.263 -1.870 -1.281 1.00 0.00 C ATOM 123 CD2 LEU A 11 -3.216 -2.987 -3.504 1.00 0.00 C ATOM 0 H LEU A 11 -3.658 1.028 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.251 0.387 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.143 -0.273 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.014 -0.612 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.629 -1.851 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.979 -2.818 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.854 -1.048 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.350 -1.791 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.936 -3.915 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.301 -2.936 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.769 -2.959 -4.498 1.00 0.00 H new ATOM 135 N LYS A 12 -3.265 2.608 -4.098 1.00 0.00 N ATOM 136 CA LYS A 12 -3.423 3.656 -5.100 1.00 0.00 C ATOM 137 C LYS A 12 -2.243 4.628 -5.055 1.00 0.00 C ATOM 138 O LYS A 12 -1.595 4.868 -6.073 1.00 0.00 O ATOM 139 CB LYS A 12 -4.760 4.386 -4.858 1.00 0.00 C ATOM 140 CG LYS A 12 -5.155 5.421 -5.908 1.00 0.00 C ATOM 141 CD LYS A 12 -4.547 6.791 -5.630 1.00 0.00 C ATOM 142 CE LYS A 12 -5.288 7.885 -6.387 1.00 0.00 C ATOM 143 NZ LYS A 12 -4.642 9.221 -6.244 1.00 0.00 N ATOM 0 H LYS A 12 -4.004 2.598 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.438 3.211 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.552 3.640 -4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.711 4.881 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.835 5.077 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.241 5.508 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.582 6.997 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.496 6.791 -5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.337 7.621 -7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.314 7.941 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.315 9.964 -6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.356 9.364 -5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.803 9.268 -6.857 1.00 0.00 H new ATOM 157 N GLU A 13 -1.953 5.159 -3.865 1.00 0.00 N ATOM 158 CA GLU A 13 -0.882 6.142 -3.696 1.00 0.00 C ATOM 159 C GLU A 13 0.471 5.568 -4.107 1.00 0.00 C ATOM 160 O GLU A 13 1.287 6.249 -4.725 1.00 0.00 O ATOM 161 CB GLU A 13 -0.818 6.632 -2.242 1.00 0.00 C ATOM 162 CG GLU A 13 -0.507 5.540 -1.229 1.00 0.00 C ATOM 163 CD GLU A 13 -0.428 6.055 0.193 1.00 0.00 C ATOM 164 OE1 GLU A 13 0.650 6.540 0.589 1.00 0.00 O ATOM 165 OE2 GLU A 13 -1.442 5.967 0.914 1.00 0.00 O ATOM 0 H GLU A 13 -2.446 4.924 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.110 6.986 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.058 7.410 -2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.772 7.091 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.275 4.769 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.440 5.068 -1.491 1.00 0.00 H new ATOM 172 N ILE A 14 0.692 4.308 -3.775 1.00 0.00 N ATOM 173 CA ILE A 14 1.956 3.649 -4.059 1.00 0.00 C ATOM 174 C ILE A 14 2.095 3.310 -5.543 1.00 0.00 C ATOM 175 O ILE A 14 3.149 3.539 -6.140 1.00 0.00 O ATOM 176 CB ILE A 14 2.102 2.380 -3.192 1.00 0.00 C ATOM 177 CG1 ILE A 14 2.283 2.794 -1.730 1.00 0.00 C ATOM 178 CG2 ILE A 14 3.264 1.510 -3.663 1.00 0.00 C ATOM 179 CD1 ILE A 14 2.174 1.652 -0.750 1.00 0.00 C ATOM 0 H ILE A 14 0.007 3.716 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 14 2.759 4.342 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 14 1.198 1.779 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.259 3.266 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.534 3.546 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.337 0.626 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.094 1.204 -4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.192 2.078 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.314 2.028 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.189 1.193 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.940 0.909 -0.970 1.00 0.00 H new ATOM 191 N PHE A 15 1.018 2.801 -6.135 1.00 0.00 N ATOM 192 CA PHE A 15 1.032 2.364 -7.530 1.00 0.00 C ATOM 193 C PHE A 15 1.392 3.513 -8.472 1.00 0.00 C ATOM 194 O PHE A 15 2.225 3.355 -9.366 1.00 0.00 O ATOM 195 CB PHE A 15 -0.333 1.774 -7.913 1.00 0.00 C ATOM 196 CG PHE A 15 -0.364 1.138 -9.277 1.00 0.00 C ATOM 197 CD1 PHE A 15 0.116 -0.149 -9.467 1.00 0.00 C ATOM 198 CD2 PHE A 15 -0.870 1.828 -10.367 1.00 0.00 C ATOM 199 CE1 PHE A 15 0.092 -0.734 -10.720 1.00 0.00 C ATOM 200 CE2 PHE A 15 -0.894 1.249 -11.622 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.414 -0.033 -11.798 1.00 0.00 C ATOM 0 H PHE A 15 0.119 2.680 -5.668 1.00 0.00 H new ATOM 0 HA PHE A 15 1.797 1.595 -7.632 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.617 1.029 -7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.083 2.564 -7.875 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.513 -0.700 -8.627 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.250 2.830 -10.234 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.468 -1.737 -10.856 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.288 1.799 -12.464 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.434 -0.488 -12.777 1.00 0.00 H new ATOM 211 N GLU A 16 0.773 4.670 -8.271 1.00 0.00 N ATOM 212 CA GLU A 16 1.008 5.811 -9.151 1.00 0.00 C ATOM 213 C GLU A 16 2.119 6.710 -8.613 1.00 0.00 C ATOM 214 O GLU A 16 2.803 7.390 -9.382 1.00 0.00 O ATOM 215 CB GLU A 16 -0.284 6.609 -9.343 1.00 0.00 C ATOM 216 CG GLU A 16 -0.908 7.093 -8.047 1.00 0.00 C ATOM 217 CD GLU A 16 -2.291 7.673 -8.251 1.00 0.00 C ATOM 218 OE1 GLU A 16 -3.169 6.950 -8.765 1.00 0.00 O ATOM 219 OE2 GLU A 16 -2.516 8.841 -7.871 1.00 0.00 O ATOM 0 H GLU A 16 0.111 4.844 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 16 1.332 5.428 -10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.076 7.470 -9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.007 5.989 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.966 6.263 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.264 7.848 -7.597 1.00 0.00 H new ATOM 226 N GLY A 17 2.312 6.695 -7.301 1.00 0.00 N ATOM 227 CA GLY A 17 3.304 7.555 -6.685 1.00 0.00 C ATOM 228 C GLY A 17 4.726 7.083 -6.915 1.00 0.00 C ATOM 229 O GLY A 17 5.659 7.882 -6.827 1.00 0.00 O ATOM 0 H GLY A 17 1.798 6.101 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.195 8.565 -7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.114 7.608 -5.613 1.00 0.00 H new ATOM 233 N ASN A 18 4.883 5.778 -7.168 1.00 0.00 N ATOM 234 CA ASN A 18 6.188 5.159 -7.463 1.00 0.00 C ATOM 235 C ASN A 18 7.030 4.974 -6.193 1.00 0.00 C ATOM 236 O ASN A 18 7.946 4.155 -6.166 1.00 0.00 O ATOM 237 CB ASN A 18 6.956 5.969 -8.528 1.00 0.00 C ATOM 238 CG ASN A 18 8.334 5.407 -8.844 1.00 0.00 C ATOM 239 OD1 ASN A 18 9.343 5.853 -8.297 1.00 0.00 O ATOM 240 ND2 ASN A 18 8.384 4.425 -9.734 1.00 0.00 N ATOM 0 H ASN A 18 4.107 5.116 -7.175 1.00 0.00 H new ATOM 0 HA ASN A 18 5.994 4.166 -7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.366 5.999 -9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.063 6.998 -8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.281 4.012 -9.987 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.525 4.083 -10.165 1.00 0.00 H new ATOM 247 N THR A 19 6.687 5.737 -5.149 1.00 0.00 N ATOM 248 CA THR A 19 7.317 5.662 -3.822 1.00 0.00 C ATOM 249 C THR A 19 8.813 6.005 -3.857 1.00 0.00 C ATOM 250 O THR A 19 9.433 6.053 -4.917 1.00 0.00 O ATOM 251 CB THR A 19 7.095 4.289 -3.121 1.00 0.00 C ATOM 252 OG1 THR A 19 7.712 3.217 -3.837 1.00 0.00 O ATOM 253 CG2 THR A 19 5.612 3.999 -2.965 1.00 0.00 C ATOM 0 H THR A 19 5.949 6.439 -5.202 1.00 0.00 H new ATOM 0 HA THR A 19 6.811 6.423 -3.227 1.00 0.00 H new ATOM 0 HB THR A 19 7.561 4.358 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.201 3.576 -4.607 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.479 3.035 -2.473 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.150 4.781 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.141 3.973 -3.948 1.00 0.00 H new ATOM 261 N PRO A 20 9.410 6.302 -2.690 1.00 0.00 N ATOM 262 CA PRO A 20 8.699 6.357 -1.411 1.00 0.00 C ATOM 263 C PRO A 20 7.928 7.665 -1.225 1.00 0.00 C ATOM 264 O PRO A 20 8.318 8.705 -1.757 1.00 0.00 O ATOM 265 CB PRO A 20 9.827 6.269 -0.389 1.00 0.00 C ATOM 266 CG PRO A 20 11.005 6.885 -1.065 1.00 0.00 C ATOM 267 CD PRO A 20 10.845 6.605 -2.538 1.00 0.00 C ATOM 0 HA PRO A 20 7.951 5.569 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.573 6.803 0.527 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.028 5.235 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.044 7.958 -0.876 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.935 6.460 -0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.138 7.464 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.466 5.767 -2.855 1.00 0.00 H new ATOM 275 N LEU A 21 6.835 7.610 -0.477 1.00 0.00 N ATOM 276 CA LEU A 21 6.088 8.813 -0.136 1.00 0.00 C ATOM 277 C LEU A 21 5.782 8.813 1.356 1.00 0.00 C ATOM 278 O LEU A 21 5.603 7.752 1.958 1.00 0.00 O ATOM 279 CB LEU A 21 4.793 8.934 -0.961 1.00 0.00 C ATOM 280 CG LEU A 21 3.600 8.090 -0.497 1.00 0.00 C ATOM 281 CD1 LEU A 21 2.336 8.553 -1.203 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.832 6.609 -0.763 1.00 0.00 C ATOM 0 H LEU A 21 6.446 6.748 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 21 6.702 9.680 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.488 9.981 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.020 8.664 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 21 3.487 8.224 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.491 7.950 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.150 9.601 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.459 8.441 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.968 6.038 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.974 6.449 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.720 6.278 -0.225 1.00 0.00 H new ATOM 294 N SER A 22 5.772 9.989 1.957 1.00 0.00 N ATOM 295 CA SER A 22 5.532 10.101 3.383 1.00 0.00 C ATOM 296 C SER A 22 4.033 10.152 3.673 1.00 0.00 C ATOM 297 O SER A 22 3.224 10.384 2.774 1.00 0.00 O ATOM 298 CB SER A 22 6.225 11.352 3.927 1.00 0.00 C ATOM 299 OG SER A 22 7.592 11.386 3.540 1.00 0.00 O ATOM 0 H SER A 22 5.927 10.878 1.481 1.00 0.00 H new ATOM 0 HA SER A 22 5.944 9.223 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.717 12.243 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.151 11.370 5.014 1.00 0.00 H new ATOM 0 HG SER A 22 8.013 12.195 3.898 1.00 0.00 H new ATOM 305 N GLU A 23 3.671 9.950 4.933 1.00 0.00 N ATOM 306 CA GLU A 23 2.273 10.006 5.344 1.00 0.00 C ATOM 307 C GLU A 23 1.690 11.402 5.115 1.00 0.00 C ATOM 308 O GLU A 23 0.494 11.555 4.852 1.00 0.00 O ATOM 309 CB GLU A 23 2.125 9.573 6.813 1.00 0.00 C ATOM 310 CG GLU A 23 3.340 9.853 7.692 1.00 0.00 C ATOM 311 CD GLU A 23 3.668 11.325 7.823 1.00 0.00 C ATOM 312 OE1 GLU A 23 3.053 12.004 8.670 1.00 0.00 O ATOM 313 OE2 GLU A 23 4.544 11.807 7.072 1.00 0.00 O ATOM 0 H GLU A 23 4.325 9.746 5.688 1.00 0.00 H new ATOM 0 HA GLU A 23 1.706 9.308 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.261 10.081 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.913 8.504 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.163 9.439 8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.204 9.332 7.279 1.00 0.00 H new ATOM 320 N ASN A 24 2.552 12.412 5.174 1.00 0.00 N ATOM 321 CA ASN A 24 2.145 13.795 4.945 1.00 0.00 C ATOM 322 C ASN A 24 1.803 14.050 3.477 1.00 0.00 C ATOM 323 O ASN A 24 1.284 15.111 3.129 1.00 0.00 O ATOM 324 CB ASN A 24 3.235 14.774 5.424 1.00 0.00 C ATOM 325 CG ASN A 24 4.616 14.562 4.795 1.00 0.00 C ATOM 326 OD1 ASN A 24 4.675 14.204 3.519 1.00 0.00 O flip ATOM 327 ND2 ASN A 24 5.637 14.749 5.459 1.00 0.00 N flip ATOM 0 H ASN A 24 3.544 12.297 5.380 1.00 0.00 H new ATOM 0 HA ASN A 24 1.241 13.968 5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.908 15.792 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.328 14.689 6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.565 15.024 6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.554 14.629 5.029 1.00 0.00 H new ATOM 334 N ASP A 25 2.115 13.086 2.615 1.00 0.00 N ATOM 335 CA ASP A 25 1.814 13.214 1.195 1.00 0.00 C ATOM 336 C ASP A 25 0.391 12.765 0.910 1.00 0.00 C ATOM 337 O ASP A 25 -0.380 13.484 0.272 1.00 0.00 O ATOM 338 CB ASP A 25 2.789 12.388 0.346 1.00 0.00 C ATOM 339 CG ASP A 25 4.167 13.008 0.255 1.00 0.00 C ATOM 340 OD1 ASP A 25 4.362 13.889 -0.608 1.00 0.00 O ATOM 341 OD2 ASP A 25 5.059 12.612 1.037 1.00 0.00 O ATOM 0 H ASP A 25 2.574 12.213 2.874 1.00 0.00 H new ATOM 0 HA ASP A 25 1.922 14.265 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.874 11.388 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.381 12.274 -0.658 1.00 0.00 H new ATOM 346 N ILE A 26 0.044 11.585 1.404 1.00 0.00 N ATOM 347 CA ILE A 26 -1.273 11.016 1.158 1.00 0.00 C ATOM 348 C ILE A 26 -2.315 11.660 2.080 1.00 0.00 C ATOM 349 O ILE A 26 -3.434 11.949 1.658 1.00 0.00 O ATOM 350 CB ILE A 26 -1.241 9.468 1.311 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.567 8.815 0.864 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.887 9.064 2.736 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.665 8.801 1.912 1.00 0.00 C ATOM 0 H ILE A 26 0.656 11.004 1.977 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.564 11.234 0.130 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.459 9.097 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.934 9.342 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.364 7.788 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.872 7.977 2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.096 9.459 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.631 9.466 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.554 8.322 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.326 8.247 2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.905 9.824 2.201 1.00 0.00 H new ATOM 365 N GLY A 27 -1.937 11.926 3.324 1.00 0.00 N ATOM 366 CA GLY A 27 -2.837 12.615 4.226 1.00 0.00 C ATOM 367 C GLY A 27 -3.187 11.815 5.466 1.00 0.00 C ATOM 368 O GLY A 27 -3.748 12.364 6.417 1.00 0.00 O ATOM 0 H GLY A 27 -1.031 11.679 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.382 13.558 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.755 12.861 3.692 1.00 0.00 H new ATOM 372 N VAL A 28 -2.881 10.525 5.467 1.00 0.00 N ATOM 373 CA VAL A 28 -3.120 9.706 6.649 1.00 0.00 C ATOM 374 C VAL A 28 -1.936 9.796 7.598 1.00 0.00 C ATOM 375 O VAL A 28 -0.828 10.131 7.196 1.00 0.00 O ATOM 376 CB VAL A 28 -3.396 8.222 6.312 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.678 8.081 5.507 1.00 0.00 C ATOM 378 CG2 VAL A 28 -2.223 7.595 5.576 1.00 0.00 C ATOM 0 H VAL A 28 -2.473 10.028 4.675 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.017 10.103 7.124 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.522 7.685 7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.852 7.029 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.515 8.472 6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.587 8.641 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.448 6.552 5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.047 8.135 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.331 7.648 6.200 1.00 0.00 H new ATOM 388 N THR A 29 -2.183 9.512 8.860 1.00 0.00 N ATOM 389 CA THR A 29 -1.140 9.574 9.863 1.00 0.00 C ATOM 390 C THR A 29 -0.353 8.267 9.909 1.00 0.00 C ATOM 391 O THR A 29 -0.818 7.235 9.417 1.00 0.00 O ATOM 392 CB THR A 29 -1.726 9.920 11.253 1.00 0.00 C ATOM 393 OG1 THR A 29 -0.771 9.683 12.293 1.00 0.00 O ATOM 394 CG2 THR A 29 -3.000 9.133 11.523 1.00 0.00 C ATOM 0 H THR A 29 -3.098 9.236 9.216 1.00 0.00 H new ATOM 0 HA THR A 29 -0.451 10.372 9.585 1.00 0.00 H new ATOM 0 HB THR A 29 -1.970 10.982 11.246 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.967 8.827 12.729 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.389 9.397 12.506 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.743 9.372 10.763 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.781 8.066 11.494 1.00 0.00 H new ATOM 402 N GLU A 30 0.832 8.335 10.510 1.00 0.00 N ATOM 403 CA GLU A 30 1.776 7.210 10.555 1.00 0.00 C ATOM 404 C GLU A 30 1.100 5.948 11.048 1.00 0.00 C ATOM 405 O GLU A 30 1.193 4.894 10.434 1.00 0.00 O ATOM 406 CB GLU A 30 2.929 7.510 11.508 1.00 0.00 C ATOM 407 CG GLU A 30 3.399 8.944 11.485 1.00 0.00 C ATOM 408 CD GLU A 30 4.561 9.179 12.425 1.00 0.00 C ATOM 409 OE1 GLU A 30 5.667 8.658 12.161 1.00 0.00 O ATOM 410 OE2 GLU A 30 4.372 9.882 13.437 1.00 0.00 O ATOM 0 H GLU A 30 1.170 9.173 10.983 1.00 0.00 H new ATOM 0 HA GLU A 30 2.144 7.068 9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.621 7.257 12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.769 6.861 11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.695 9.212 10.471 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.573 9.600 11.760 1.00 0.00 H new ATOM 417 N ASP A 31 0.418 6.087 12.168 1.00 0.00 N ATOM 418 CA ASP A 31 -0.197 4.965 12.856 1.00 0.00 C ATOM 419 C ASP A 31 -1.139 4.174 11.941 1.00 0.00 C ATOM 420 O ASP A 31 -1.127 2.942 11.950 1.00 0.00 O ATOM 421 CB ASP A 31 -0.919 5.483 14.102 1.00 0.00 C ATOM 422 CG ASP A 31 -1.879 6.618 13.806 1.00 0.00 C ATOM 423 OD1 ASP A 31 -3.033 6.353 13.419 1.00 0.00 O ATOM 424 OD2 ASP A 31 -1.470 7.795 13.954 1.00 0.00 O ATOM 0 H ASP A 31 0.273 6.985 12.630 1.00 0.00 H new ATOM 0 HA ASP A 31 0.583 4.265 13.157 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.468 4.662 14.564 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.180 5.821 14.828 1.00 0.00 H new ATOM 429 N GLN A 32 -1.923 4.878 11.134 1.00 0.00 N ATOM 430 CA GLN A 32 -2.828 4.228 10.192 1.00 0.00 C ATOM 431 C GLN A 32 -2.080 3.762 8.946 1.00 0.00 C ATOM 432 O GLN A 32 -2.432 2.745 8.349 1.00 0.00 O ATOM 433 CB GLN A 32 -3.975 5.166 9.804 1.00 0.00 C ATOM 434 CG GLN A 32 -5.018 5.329 10.895 1.00 0.00 C ATOM 435 CD GLN A 32 -6.139 6.263 10.493 1.00 0.00 C ATOM 436 OE1 GLN A 32 -7.121 5.841 9.883 1.00 0.00 O ATOM 437 NE2 GLN A 32 -6.015 7.531 10.852 1.00 0.00 N ATOM 0 H GLN A 32 -1.951 5.897 11.112 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.249 3.352 10.686 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.565 6.145 9.555 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.458 4.784 8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.435 4.353 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.539 5.710 11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.184 7.839 11.357 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.750 8.200 10.624 1.00 0.00 H new ATOM 446 N PHE A 33 -1.046 4.501 8.568 1.00 0.00 N ATOM 447 CA PHE A 33 -0.245 4.166 7.394 1.00 0.00 C ATOM 448 C PHE A 33 0.530 2.867 7.635 1.00 0.00 C ATOM 449 O PHE A 33 0.445 1.924 6.845 1.00 0.00 O ATOM 450 CB PHE A 33 0.713 5.323 7.079 1.00 0.00 C ATOM 451 CG PHE A 33 1.512 5.157 5.814 1.00 0.00 C ATOM 452 CD1 PHE A 33 0.968 5.492 4.583 1.00 0.00 C ATOM 453 CD2 PHE A 33 2.808 4.673 5.858 1.00 0.00 C ATOM 454 CE1 PHE A 33 1.705 5.348 3.423 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.549 4.527 4.702 1.00 0.00 C ATOM 456 CZ PHE A 33 2.995 4.861 3.482 1.00 0.00 C ATOM 0 H PHE A 33 -0.739 5.341 9.059 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.903 4.013 6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.136 6.245 7.009 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.403 5.442 7.914 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.043 5.869 4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.245 4.406 6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.272 5.616 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.561 4.152 4.752 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.570 4.741 2.576 1.00 0.00 H new ATOM 466 N ASP A 34 1.264 2.826 8.739 1.00 0.00 N ATOM 467 CA ASP A 34 2.031 1.646 9.129 1.00 0.00 C ATOM 468 C ASP A 34 1.123 0.439 9.311 1.00 0.00 C ATOM 469 O ASP A 34 1.424 -0.654 8.823 1.00 0.00 O ATOM 470 CB ASP A 34 2.798 1.904 10.428 1.00 0.00 C ATOM 471 CG ASP A 34 4.050 2.738 10.229 1.00 0.00 C ATOM 472 OD1 ASP A 34 3.948 3.871 9.716 1.00 0.00 O ATOM 473 OD2 ASP A 34 5.145 2.264 10.608 1.00 0.00 O ATOM 0 H ASP A 34 1.346 3.607 9.390 1.00 0.00 H new ATOM 0 HA ASP A 34 2.740 1.437 8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.141 2.410 11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.073 0.949 10.875 1.00 0.00 H new ATOM 478 N ASP A 35 0.009 0.639 10.016 1.00 0.00 N ATOM 479 CA ASP A 35 -0.967 -0.427 10.239 1.00 0.00 C ATOM 480 C ASP A 35 -1.435 -1.003 8.912 1.00 0.00 C ATOM 481 O ASP A 35 -1.552 -2.219 8.752 1.00 0.00 O ATOM 482 CB ASP A 35 -2.174 0.104 11.021 1.00 0.00 C ATOM 483 CG ASP A 35 -3.228 -0.960 11.279 1.00 0.00 C ATOM 484 OD1 ASP A 35 -3.087 -1.712 12.270 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.204 -1.045 10.505 1.00 0.00 O ATOM 0 H ASP A 35 -0.240 1.531 10.443 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.484 -1.213 10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.833 0.509 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.625 0.928 10.468 1.00 0.00 H new ATOM 490 N ALA A 36 -1.677 -0.116 7.961 1.00 0.00 N ATOM 491 CA ALA A 36 -2.134 -0.503 6.640 1.00 0.00 C ATOM 492 C ALA A 36 -1.091 -1.327 5.904 1.00 0.00 C ATOM 493 O ALA A 36 -1.399 -2.396 5.378 1.00 0.00 O ATOM 494 CB ALA A 36 -2.472 0.730 5.834 1.00 0.00 C ATOM 0 H ALA A 36 -1.562 0.890 8.084 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.024 -1.121 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.815 0.434 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.260 1.290 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.585 1.357 5.739 1.00 0.00 H new ATOM 500 N VAL A 37 0.137 -0.819 5.859 1.00 0.00 N ATOM 501 CA VAL A 37 1.224 -1.498 5.161 1.00 0.00 C ATOM 502 C VAL A 37 1.442 -2.896 5.733 1.00 0.00 C ATOM 503 O VAL A 37 1.593 -3.866 4.986 1.00 0.00 O ATOM 504 CB VAL A 37 2.543 -0.694 5.240 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.666 -1.421 4.513 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.354 0.703 4.664 1.00 0.00 C ATOM 0 H VAL A 37 0.405 0.062 6.298 1.00 0.00 H new ATOM 0 HA VAL A 37 0.933 -1.578 4.113 1.00 0.00 H new ATOM 0 HB VAL A 37 2.820 -0.601 6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.583 -0.836 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.823 -2.398 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.397 -1.550 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.293 1.253 4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.048 0.628 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.585 1.229 5.230 1.00 0.00 H new ATOM 516 N ASN A 38 1.441 -2.994 7.059 1.00 0.00 N ATOM 517 CA ASN A 38 1.585 -4.283 7.728 1.00 0.00 C ATOM 518 C ASN A 38 0.436 -5.207 7.351 1.00 0.00 C ATOM 519 O ASN A 38 0.652 -6.353 6.961 1.00 0.00 O ATOM 520 CB ASN A 38 1.638 -4.110 9.249 1.00 0.00 C ATOM 521 CG ASN A 38 2.909 -3.429 9.718 1.00 0.00 C ATOM 522 OD1 ASN A 38 3.952 -3.523 9.072 1.00 0.00 O ATOM 523 ND2 ASN A 38 2.830 -2.742 10.846 1.00 0.00 N ATOM 0 H ASN A 38 1.342 -2.199 7.690 1.00 0.00 H new ATOM 0 HA ASN A 38 2.524 -4.729 7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.777 -3.526 9.574 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.558 -5.088 9.724 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.654 -2.265 11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.945 -2.690 11.350 1.00 0.00 H new ATOM 530 N PHE A 39 -0.783 -4.685 7.447 1.00 0.00 N ATOM 531 CA PHE A 39 -1.990 -5.442 7.123 1.00 0.00 C ATOM 532 C PHE A 39 -1.926 -5.992 5.698 1.00 0.00 C ATOM 533 O PHE A 39 -2.222 -7.165 5.457 1.00 0.00 O ATOM 534 CB PHE A 39 -3.220 -4.539 7.293 1.00 0.00 C ATOM 535 CG PHE A 39 -4.531 -5.196 6.965 1.00 0.00 C ATOM 536 CD1 PHE A 39 -5.154 -6.026 7.883 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.144 -4.975 5.741 1.00 0.00 C ATOM 538 CE1 PHE A 39 -6.363 -6.624 7.586 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.353 -5.568 5.440 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.964 -6.395 6.363 1.00 0.00 C ATOM 0 H PHE A 39 -0.963 -3.728 7.751 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.066 -6.290 7.804 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.254 -4.185 8.323 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.100 -3.661 6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.689 -6.207 8.841 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.670 -4.331 5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.838 -7.270 8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.821 -5.386 4.484 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.910 -6.862 6.129 1.00 0.00 H new ATOM 550 N LEU A 40 -1.519 -5.141 4.767 1.00 0.00 N ATOM 551 CA LEU A 40 -1.418 -5.515 3.363 1.00 0.00 C ATOM 552 C LEU A 40 -0.337 -6.570 3.148 1.00 0.00 C ATOM 553 O LEU A 40 -0.515 -7.505 2.367 1.00 0.00 O ATOM 554 CB LEU A 40 -1.112 -4.281 2.516 1.00 0.00 C ATOM 555 CG LEU A 40 -2.217 -3.228 2.482 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.721 -1.957 1.815 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.438 -3.772 1.758 1.00 0.00 C ATOM 0 H LEU A 40 -1.251 -4.176 4.962 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.374 -5.940 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.201 -3.817 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.906 -4.602 1.495 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.500 -2.986 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.522 -1.218 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.872 -1.561 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.412 -2.179 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.219 -3.012 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.167 -4.038 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.805 -4.657 2.278 1.00 0.00 H new ATOM 569 N LYS A 41 0.778 -6.415 3.847 1.00 0.00 N ATOM 570 CA LYS A 41 1.896 -7.341 3.727 1.00 0.00 C ATOM 571 C LYS A 41 1.526 -8.698 4.338 1.00 0.00 C ATOM 572 O LYS A 41 1.989 -9.742 3.877 1.00 0.00 O ATOM 573 CB LYS A 41 3.135 -6.734 4.408 1.00 0.00 C ATOM 574 CG LYS A 41 4.466 -7.383 4.033 1.00 0.00 C ATOM 575 CD LYS A 41 4.735 -8.654 4.827 1.00 0.00 C ATOM 576 CE LYS A 41 4.758 -8.386 6.325 1.00 0.00 C ATOM 577 NZ LYS A 41 5.014 -9.624 7.108 1.00 0.00 N ATOM 0 H LYS A 41 0.933 -5.653 4.507 1.00 0.00 H new ATOM 0 HA LYS A 41 2.128 -7.507 2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.183 -5.674 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.007 -6.803 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.466 -7.616 2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.275 -6.673 4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.967 -9.394 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.689 -9.081 4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.529 -7.649 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.805 -7.954 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.022 -9.397 8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.265 -10.319 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.935 -10.023 6.835 1.00 0.00 H new ATOM 591 N ARG A 42 0.676 -8.674 5.362 1.00 0.00 N ATOM 592 CA ARG A 42 0.223 -9.898 6.021 1.00 0.00 C ATOM 593 C ARG A 42 -0.535 -10.800 5.052 1.00 0.00 C ATOM 594 O ARG A 42 -0.148 -11.948 4.826 1.00 0.00 O ATOM 595 CB ARG A 42 -0.667 -9.567 7.221 1.00 0.00 C ATOM 596 CG ARG A 42 0.080 -8.937 8.384 1.00 0.00 C ATOM 597 CD ARG A 42 -0.864 -8.517 9.500 1.00 0.00 C ATOM 598 NE ARG A 42 -0.145 -7.904 10.617 1.00 0.00 N ATOM 599 CZ ARG A 42 -0.729 -7.459 11.729 1.00 0.00 C ATOM 600 NH1 ARG A 42 -2.048 -7.530 11.866 1.00 0.00 N ATOM 601 NH2 ARG A 42 0.008 -6.946 12.707 1.00 0.00 N ATOM 0 H ARG A 42 0.286 -7.818 5.755 1.00 0.00 H new ATOM 0 HA ARG A 42 1.108 -10.430 6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.457 -8.889 6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.152 -10.481 7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.811 -9.646 8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.635 -8.068 8.031 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.598 -7.812 9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.416 -9.387 9.856 1.00 0.00 H new ATOM 0 HE ARG A 42 0.868 -7.811 10.540 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.618 -7.926 11.119 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.491 -7.188 12.719 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.022 -6.892 12.607 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.440 -6.605 13.558 1.00 0.00 H new ATOM 615 N GLU A 43 -1.611 -10.281 4.475 1.00 0.00 N ATOM 616 CA GLU A 43 -2.430 -11.066 3.554 1.00 0.00 C ATOM 617 C GLU A 43 -1.734 -11.249 2.211 1.00 0.00 C ATOM 618 O GLU A 43 -2.018 -12.199 1.482 1.00 0.00 O ATOM 619 CB GLU A 43 -3.798 -10.422 3.347 1.00 0.00 C ATOM 620 CG GLU A 43 -4.679 -10.458 4.583 1.00 0.00 C ATOM 621 CD GLU A 43 -6.129 -10.158 4.266 1.00 0.00 C ATOM 622 OE1 GLU A 43 -6.779 -11.003 3.616 1.00 0.00 O ATOM 623 OE2 GLU A 43 -6.624 -9.082 4.658 1.00 0.00 O ATOM 0 H GLU A 43 -1.937 -9.326 4.625 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.571 -12.048 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.660 -9.385 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.310 -10.931 2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.607 -11.441 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.311 -9.734 5.310 1.00 0.00 H new ATOM 630 N GLY A 44 -0.830 -10.339 1.888 1.00 0.00 N ATOM 631 CA GLY A 44 -0.073 -10.460 0.662 1.00 0.00 C ATOM 632 C GLY A 44 -0.670 -9.659 -0.475 1.00 0.00 C ATOM 633 O GLY A 44 -0.928 -10.198 -1.549 1.00 0.00 O ATOM 0 H GLY A 44 -0.607 -9.519 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.950 -10.127 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.022 -11.510 0.374 1.00 0.00 H new ATOM 637 N TYR A 45 -0.909 -8.378 -0.238 1.00 0.00 N ATOM 638 CA TYR A 45 -1.371 -7.481 -1.291 1.00 0.00 C ATOM 639 C TYR A 45 -0.184 -6.780 -1.939 1.00 0.00 C ATOM 640 O TYR A 45 -0.181 -6.516 -3.143 1.00 0.00 O ATOM 641 CB TYR A 45 -2.351 -6.444 -0.738 1.00 0.00 C ATOM 642 CG TYR A 45 -3.701 -7.013 -0.364 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.706 -7.147 -1.312 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.973 -7.405 0.940 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.945 -7.657 -0.973 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.208 -7.917 1.286 1.00 0.00 C ATOM 647 CZ TYR A 45 -6.189 -8.040 0.328 1.00 0.00 C ATOM 648 OH TYR A 45 -7.420 -8.547 0.672 1.00 0.00 O ATOM 0 H TYR A 45 -0.791 -7.935 0.673 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.890 -8.077 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.910 -5.974 0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.492 -5.659 -1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.516 -6.848 -2.332 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.207 -7.308 1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.716 -7.755 -1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.403 -8.220 2.304 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.427 -8.769 1.626 1.00 0.00 H new ATOM 658 N ILE A 46 0.823 -6.487 -1.130 1.00 0.00 N ATOM 659 CA ILE A 46 2.041 -5.857 -1.611 1.00 0.00 C ATOM 660 C ILE A 46 3.264 -6.508 -0.977 1.00 0.00 C ATOM 661 O ILE A 46 3.200 -7.001 0.151 1.00 0.00 O ATOM 662 CB ILE A 46 2.051 -4.324 -1.354 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.496 -3.968 0.035 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.263 -3.600 -2.434 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.465 -4.193 1.178 1.00 0.00 C ATOM 0 H ILE A 46 0.819 -6.678 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 46 2.075 -6.005 -2.690 1.00 0.00 H new ATOM 0 HB ILE A 46 3.090 -3.997 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.193 -2.921 0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.598 -4.559 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.280 -2.528 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.712 -3.799 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.232 -3.953 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.989 -3.916 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.750 -5.245 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.354 -3.581 1.027 1.00 0.00 H new ATOM 677 N ILE A 47 4.363 -6.536 -1.715 1.00 0.00 N ATOM 678 CA ILE A 47 5.611 -7.092 -1.211 1.00 0.00 C ATOM 679 C ILE A 47 6.762 -6.143 -1.510 1.00 0.00 C ATOM 680 O ILE A 47 6.567 -5.105 -2.142 1.00 0.00 O ATOM 681 CB ILE A 47 5.944 -8.494 -1.797 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.191 -8.441 -3.319 1.00 0.00 C ATOM 683 CG2 ILE A 47 4.843 -9.493 -1.463 1.00 0.00 C ATOM 684 CD1 ILE A 47 4.940 -8.295 -4.160 1.00 0.00 C ATOM 0 H ILE A 47 4.417 -6.179 -2.669 1.00 0.00 H new ATOM 0 HA ILE A 47 5.478 -7.214 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 47 6.871 -8.828 -1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.857 -7.606 -3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.711 -9.350 -3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.096 -10.467 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.745 -9.578 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.899 -9.150 -1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.212 -8.267 -5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.279 -9.142 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.428 -7.371 -3.893 1.00 0.00 H new ATOM 696 N GLY A 48 7.954 -6.496 -1.045 1.00 0.00 N ATOM 697 CA GLY A 48 9.122 -5.670 -1.291 1.00 0.00 C ATOM 698 C GLY A 48 9.287 -4.577 -0.255 1.00 0.00 C ATOM 699 O GLY A 48 10.168 -3.726 -0.373 1.00 0.00 O ATOM 0 H GLY A 48 8.133 -7.340 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.013 -6.298 -1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.043 -5.220 -2.280 1.00 0.00 H new ATOM 703 N VAL A 49 8.432 -4.595 0.760 1.00 0.00 N ATOM 704 CA VAL A 49 8.499 -3.617 1.838 1.00 0.00 C ATOM 705 C VAL A 49 9.719 -3.880 2.712 1.00 0.00 C ATOM 706 O VAL A 49 9.999 -5.024 3.065 1.00 0.00 O ATOM 707 CB VAL A 49 7.223 -3.646 2.708 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.282 -2.590 3.801 1.00 0.00 C ATOM 709 CG2 VAL A 49 5.991 -3.440 1.847 1.00 0.00 C ATOM 0 H VAL A 49 7.682 -5.279 0.859 1.00 0.00 H new ATOM 0 HA VAL A 49 8.581 -2.630 1.384 1.00 0.00 H new ATOM 0 HB VAL A 49 7.162 -4.625 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.371 -2.633 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.144 -2.776 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.373 -1.603 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.100 -3.463 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.056 -2.475 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.931 -4.234 1.102 1.00 0.00 H new ATOM 719 N HIS A 50 10.445 -2.821 3.049 1.00 0.00 N ATOM 720 CA HIS A 50 11.660 -2.950 3.841 1.00 0.00 C ATOM 721 C HIS A 50 11.412 -2.448 5.258 1.00 0.00 C ATOM 722 O HIS A 50 11.047 -1.289 5.461 1.00 0.00 O ATOM 723 CB HIS A 50 12.814 -2.177 3.195 1.00 0.00 C ATOM 724 CG HIS A 50 13.148 -2.631 1.801 1.00 0.00 C ATOM 725 ND1 HIS A 50 14.083 -3.605 1.522 1.00 0.00 N ATOM 726 CD2 HIS A 50 12.655 -2.237 0.602 1.00 0.00 C ATOM 727 CE1 HIS A 50 14.152 -3.787 0.215 1.00 0.00 C ATOM 728 NE2 HIS A 50 13.295 -2.970 -0.368 1.00 0.00 N ATOM 0 H HIS A 50 10.213 -1.863 2.786 1.00 0.00 H new ATOM 0 HA HIS A 50 11.938 -4.003 3.882 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.559 -1.117 3.170 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.701 -2.277 3.821 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.898 -1.485 0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 50 14.801 -4.487 -0.291 1.00 0.00 H new ATOM 0 HE2 HIS A 50 13.134 -2.895 -1.372 1.00 0.00 H new ATOM 737 N TYR A 51 11.590 -3.321 6.235 1.00 0.00 N ATOM 738 CA TYR A 51 11.350 -2.965 7.625 1.00 0.00 C ATOM 739 C TYR A 51 12.622 -2.474 8.296 1.00 0.00 C ATOM 740 O TYR A 51 13.728 -2.728 7.821 1.00 0.00 O ATOM 741 CB TYR A 51 10.803 -4.162 8.404 1.00 0.00 C ATOM 742 CG TYR A 51 9.343 -4.448 8.151 1.00 0.00 C ATOM 743 CD1 TYR A 51 8.930 -5.116 7.007 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.377 -4.052 9.067 1.00 0.00 C ATOM 745 CE1 TYR A 51 7.594 -5.381 6.783 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.042 -4.313 8.850 1.00 0.00 C ATOM 747 CZ TYR A 51 6.654 -4.976 7.708 1.00 0.00 C ATOM 748 OH TYR A 51 5.322 -5.242 7.495 1.00 0.00 O ATOM 0 H TYR A 51 11.900 -4.282 6.092 1.00 0.00 H new ATOM 0 HA TYR A 51 10.614 -2.161 7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.385 -5.046 8.146 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.948 -3.985 9.470 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.664 -5.433 6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.677 -3.531 9.964 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.286 -5.902 5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.303 -3.999 9.573 1.00 0.00 H new ATOM 0 HH TYR A 51 4.778 -4.534 7.900 1.00 0.00 H new ATOM 758 N SER A 52 12.448 -1.753 9.395 1.00 0.00 N ATOM 759 CA SER A 52 13.560 -1.359 10.246 1.00 0.00 C ATOM 760 C SER A 52 13.402 -2.005 11.621 1.00 0.00 C ATOM 761 O SER A 52 13.415 -1.326 12.649 1.00 0.00 O ATOM 762 CB SER A 52 13.619 0.165 10.367 1.00 0.00 C ATOM 763 OG SER A 52 13.722 0.766 9.085 1.00 0.00 O ATOM 0 H SER A 52 11.538 -1.427 9.720 1.00 0.00 H new ATOM 0 HA SER A 52 14.495 -1.700 9.801 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.726 0.529 10.874 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.473 0.453 10.979 1.00 0.00 H new ATOM 0 HG SER A 52 12.922 1.306 8.911 1.00 0.00 H new ATOM 769 N ASP A 53 13.206 -3.326 11.608 1.00 0.00 N ATOM 770 CA ASP A 53 13.051 -4.130 12.828 1.00 0.00 C ATOM 771 C ASP A 53 11.786 -3.768 13.606 1.00 0.00 C ATOM 772 O ASP A 53 11.590 -4.234 14.731 1.00 0.00 O ATOM 773 CB ASP A 53 14.277 -3.999 13.737 1.00 0.00 C ATOM 774 CG ASP A 53 15.484 -4.729 13.190 1.00 0.00 C ATOM 775 OD1 ASP A 53 16.227 -4.137 12.382 1.00 0.00 O ATOM 776 OD2 ASP A 53 15.696 -5.902 13.570 1.00 0.00 O ATOM 0 H ASP A 53 13.150 -3.872 10.748 1.00 0.00 H new ATOM 0 HA ASP A 53 12.958 -5.166 12.504 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.521 -2.944 13.863 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.036 -4.391 14.725 1.00 0.00 H new ATOM 781 N ASP A 54 10.924 -2.954 13.006 1.00 0.00 N ATOM 782 CA ASP A 54 9.660 -2.576 13.635 1.00 0.00 C ATOM 783 C ASP A 54 8.733 -1.909 12.625 1.00 0.00 C ATOM 784 O ASP A 54 7.724 -2.486 12.220 1.00 0.00 O ATOM 785 CB ASP A 54 9.895 -1.632 14.819 1.00 0.00 C ATOM 786 CG ASP A 54 8.612 -1.311 15.561 1.00 0.00 C ATOM 787 OD1 ASP A 54 8.223 -2.093 16.455 1.00 0.00 O ATOM 788 OD2 ASP A 54 7.988 -0.276 15.257 1.00 0.00 O ATOM 0 H ASP A 54 11.076 -2.543 12.085 1.00 0.00 H new ATOM 0 HA ASP A 54 9.189 -3.488 14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.607 -2.087 15.508 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.346 -0.707 14.460 1.00 0.00 H new ATOM 793 N ARG A 55 9.091 -0.700 12.203 1.00 0.00 N ATOM 794 CA ARG A 55 8.265 0.052 11.265 1.00 0.00 C ATOM 795 C ARG A 55 8.684 -0.223 9.829 1.00 0.00 C ATOM 796 O ARG A 55 9.878 -0.355 9.534 1.00 0.00 O ATOM 797 CB ARG A 55 8.346 1.561 11.530 1.00 0.00 C ATOM 798 CG ARG A 55 7.750 1.990 12.860 1.00 0.00 C ATOM 799 CD ARG A 55 7.599 3.504 12.944 1.00 0.00 C ATOM 800 NE ARG A 55 6.654 4.014 11.948 1.00 0.00 N ATOM 801 CZ ARG A 55 6.358 5.303 11.775 1.00 0.00 C ATOM 802 NH1 ARG A 55 6.900 6.239 12.551 1.00 0.00 N ATOM 803 NH2 ARG A 55 5.493 5.660 10.838 1.00 0.00 N ATOM 0 H ARG A 55 9.944 -0.222 12.494 1.00 0.00 H new ATOM 0 HA ARG A 55 7.237 -0.278 11.413 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.391 1.869 11.496 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.832 2.088 10.727 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.776 1.519 12.992 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.386 1.641 13.674 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.259 3.780 13.942 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.571 3.975 12.797 1.00 0.00 H new ATOM 0 HE ARG A 55 6.190 3.336 11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.551 5.974 13.290 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.664 7.221 12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.055 4.950 10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.265 6.645 10.703 1.00 0.00 H new ATOM 817 N PRO A 56 7.703 -0.338 8.924 1.00 0.00 N ATOM 818 CA PRO A 56 7.955 -0.451 7.489 1.00 0.00 C ATOM 819 C PRO A 56 8.421 0.872 6.892 1.00 0.00 C ATOM 820 O PRO A 56 7.934 1.939 7.263 1.00 0.00 O ATOM 821 CB PRO A 56 6.588 -0.836 6.915 1.00 0.00 C ATOM 822 CG PRO A 56 5.605 -0.281 7.886 1.00 0.00 C ATOM 823 CD PRO A 56 6.260 -0.380 9.235 1.00 0.00 C ATOM 0 HA PRO A 56 8.742 -1.171 7.265 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.443 -0.416 5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.487 -1.917 6.822 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.360 0.753 7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.672 -0.844 7.862 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.966 0.444 9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.987 -1.303 9.747 1.00 0.00 H new ATOM 831 N HIS A 57 9.383 0.801 5.988 1.00 0.00 N ATOM 832 CA HIS A 57 9.829 1.975 5.259 1.00 0.00 C ATOM 833 C HIS A 57 9.835 1.682 3.770 1.00 0.00 C ATOM 834 O HIS A 57 10.103 0.554 3.345 1.00 0.00 O ATOM 835 CB HIS A 57 11.215 2.429 5.726 1.00 0.00 C ATOM 836 CG HIS A 57 11.222 3.022 7.105 1.00 0.00 C ATOM 837 ND1 HIS A 57 11.360 2.438 8.317 1.00 0.00 N flip ATOM 838 CD2 HIS A 57 11.073 4.370 7.350 1.00 0.00 C flip ATOM 839 CE1 HIS A 57 11.296 3.433 9.262 1.00 0.00 C flip ATOM 840 NE2 HIS A 57 11.123 4.588 8.650 1.00 0.00 N flip ATOM 0 H HIS A 57 9.871 -0.060 5.741 1.00 0.00 H new ATOM 0 HA HIS A 57 9.134 2.790 5.460 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.894 1.576 5.703 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.603 3.165 5.022 1.00 0.00 H new ATOM 0 HD2 HIS A 57 10.936 5.130 6.595 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.374 3.292 10.330 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.042 5.497 9.105 1.00 0.00 H new ATOM 849 N LEU A 58 9.522 2.689 2.982 1.00 0.00 N ATOM 850 CA LEU A 58 9.394 2.512 1.552 1.00 0.00 C ATOM 851 C LEU A 58 10.603 3.076 0.825 1.00 0.00 C ATOM 852 O LEU A 58 11.202 4.062 1.256 1.00 0.00 O ATOM 853 CB LEU A 58 8.103 3.166 1.061 1.00 0.00 C ATOM 854 CG LEU A 58 6.821 2.578 1.667 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.597 3.353 1.203 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.690 1.104 1.307 1.00 0.00 C ATOM 0 H LEU A 58 9.351 3.640 3.309 1.00 0.00 H new ATOM 0 HA LEU A 58 9.348 1.445 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.141 4.231 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.053 3.073 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 58 6.885 2.665 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.701 2.917 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.686 4.394 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.525 3.304 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.776 0.702 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.651 0.996 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.549 0.557 1.696 1.00 0.00 H new ATOM 868 N TYR A 59 10.965 2.418 -0.259 1.00 0.00 N ATOM 869 CA TYR A 59 12.067 2.844 -1.099 1.00 0.00 C ATOM 870 C TYR A 59 11.600 2.869 -2.545 1.00 0.00 C ATOM 871 O TYR A 59 10.483 2.450 -2.832 1.00 0.00 O ATOM 872 CB TYR A 59 13.265 1.900 -0.944 1.00 0.00 C ATOM 873 CG TYR A 59 13.977 2.017 0.388 1.00 0.00 C ATOM 874 CD1 TYR A 59 13.549 1.296 1.497 1.00 0.00 C ATOM 875 CD2 TYR A 59 15.081 2.848 0.533 1.00 0.00 C ATOM 876 CE1 TYR A 59 14.202 1.402 2.711 1.00 0.00 C ATOM 877 CE2 TYR A 59 15.739 2.957 1.743 1.00 0.00 C ATOM 878 CZ TYR A 59 15.295 2.234 2.829 1.00 0.00 C ATOM 879 OH TYR A 59 15.949 2.340 4.036 1.00 0.00 O ATOM 0 H TYR A 59 10.501 1.569 -0.583 1.00 0.00 H new ATOM 0 HA TYR A 59 12.386 3.841 -0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.923 0.873 -1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.978 2.101 -1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.693 0.643 1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.431 3.419 -0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.857 0.835 3.563 1.00 0.00 H new ATOM 0 HE2 TYR A 59 16.597 3.606 1.837 1.00 0.00 H new ATOM 0 HH TYR A 59 16.698 2.966 3.949 1.00 0.00 H new ATOM 889 N LYS A 60 12.446 3.347 -3.445 1.00 0.00 N ATOM 890 CA LYS A 60 12.080 3.430 -4.852 1.00 0.00 C ATOM 891 C LYS A 60 12.000 2.031 -5.447 1.00 0.00 C ATOM 892 O LYS A 60 11.110 1.721 -6.236 1.00 0.00 O ATOM 893 CB LYS A 60 13.100 4.263 -5.630 1.00 0.00 C ATOM 894 CG LYS A 60 13.242 5.689 -5.131 1.00 0.00 C ATOM 895 CD LYS A 60 14.310 6.439 -5.909 1.00 0.00 C ATOM 896 CE LYS A 60 14.469 7.864 -5.406 1.00 0.00 C ATOM 897 NZ LYS A 60 15.565 8.577 -6.109 1.00 0.00 N ATOM 0 H LYS A 60 13.385 3.682 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 60 11.107 3.915 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.072 3.772 -5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.811 4.284 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.288 6.207 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.497 5.683 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.261 5.913 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.049 6.453 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.534 8.406 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.672 7.851 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.643 9.546 -5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.462 8.074 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.359 8.612 -7.128 1.00 0.00 H new ATOM 911 N LEU A 61 12.942 1.189 -5.058 1.00 0.00 N ATOM 912 CA LEU A 61 12.967 -0.185 -5.516 1.00 0.00 C ATOM 913 C LEU A 61 12.541 -1.099 -4.376 1.00 0.00 C ATOM 914 O LEU A 61 13.299 -1.320 -3.429 1.00 0.00 O ATOM 915 CB LEU A 61 14.374 -0.553 -6.010 1.00 0.00 C ATOM 916 CG LEU A 61 14.453 -1.691 -7.041 1.00 0.00 C ATOM 917 CD1 LEU A 61 15.878 -1.836 -7.550 1.00 0.00 C ATOM 918 CD2 LEU A 61 13.967 -3.012 -6.459 1.00 0.00 C ATOM 0 H LEU A 61 13.701 1.436 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 61 12.274 -0.306 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.828 0.337 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.979 -0.830 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 61 13.797 -1.433 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.923 -2.645 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.193 -0.905 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.541 -2.063 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.038 -3.792 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.585 -3.282 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.930 -2.909 -6.140 1.00 0.00 H new ATOM 930 N GLY A 62 11.324 -1.610 -4.452 1.00 0.00 N ATOM 931 CA GLY A 62 10.843 -2.501 -3.419 1.00 0.00 C ATOM 932 C GLY A 62 9.363 -2.814 -3.542 1.00 0.00 C ATOM 933 O GLY A 62 9.008 -3.937 -3.894 1.00 0.00 O ATOM 0 H GLY A 62 10.663 -1.425 -5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.409 -3.432 -3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.033 -2.053 -2.444 1.00 0.00 H new ATOM 937 N PRO A 63 8.480 -1.834 -3.267 1.00 0.00 N ATOM 938 CA PRO A 63 7.027 -2.054 -3.224 1.00 0.00 C ATOM 939 C PRO A 63 6.449 -2.554 -4.545 1.00 0.00 C ATOM 940 O PRO A 63 6.388 -1.823 -5.534 1.00 0.00 O ATOM 941 CB PRO A 63 6.454 -0.672 -2.883 1.00 0.00 C ATOM 942 CG PRO A 63 7.593 0.085 -2.296 1.00 0.00 C ATOM 943 CD PRO A 63 8.821 -0.427 -2.988 1.00 0.00 C ATOM 0 HA PRO A 63 6.773 -2.830 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.067 -0.175 -3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.627 -0.751 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.473 1.157 -2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.655 -0.074 -1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.030 0.127 -3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.705 -0.343 -2.356 1.00 0.00 H new ATOM 951 N GLU A 64 6.038 -3.811 -4.551 1.00 0.00 N ATOM 952 CA GLU A 64 5.358 -4.392 -5.695 1.00 0.00 C ATOM 953 C GLU A 64 3.979 -4.876 -5.279 1.00 0.00 C ATOM 954 O GLU A 64 3.777 -5.275 -4.132 1.00 0.00 O ATOM 955 CB GLU A 64 6.162 -5.554 -6.280 1.00 0.00 C ATOM 956 CG GLU A 64 7.537 -5.155 -6.784 1.00 0.00 C ATOM 957 CD GLU A 64 8.251 -6.291 -7.481 1.00 0.00 C ATOM 958 OE1 GLU A 64 8.908 -7.098 -6.795 1.00 0.00 O ATOM 959 OE2 GLU A 64 8.164 -6.373 -8.724 1.00 0.00 O ATOM 0 H GLU A 64 6.165 -4.453 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 64 5.260 -3.625 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.274 -6.326 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.598 -5.996 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.439 -4.316 -7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.142 -4.810 -5.945 1.00 0.00 H new ATOM 966 N LEU A 65 3.036 -4.830 -6.204 1.00 0.00 N ATOM 967 CA LEU A 65 1.680 -5.272 -5.931 1.00 0.00 C ATOM 968 C LEU A 65 1.483 -6.690 -6.452 1.00 0.00 C ATOM 969 O LEU A 65 1.863 -7.000 -7.582 1.00 0.00 O ATOM 970 CB LEU A 65 0.655 -4.320 -6.565 1.00 0.00 C ATOM 971 CG LEU A 65 0.525 -2.931 -5.910 1.00 0.00 C ATOM 972 CD1 LEU A 65 1.747 -2.063 -6.187 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.731 -2.232 -6.399 1.00 0.00 C ATOM 0 H LEU A 65 3.186 -4.490 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 65 1.523 -5.265 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.918 -4.182 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.322 -4.803 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 65 0.457 -3.080 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.619 -1.092 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.637 -2.549 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.860 -1.926 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.809 -1.252 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.682 -2.111 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.605 -2.830 -6.140 1.00 0.00 H new ATOM 985 N THR A 66 0.890 -7.545 -5.629 1.00 0.00 N ATOM 986 CA THR A 66 0.720 -8.948 -5.977 1.00 0.00 C ATOM 987 C THR A 66 -0.467 -9.135 -6.908 1.00 0.00 C ATOM 988 O THR A 66 -1.157 -8.173 -7.245 1.00 0.00 O ATOM 989 CB THR A 66 0.490 -9.803 -4.720 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.665 -9.327 -4.016 1.00 0.00 O ATOM 991 CG2 THR A 66 1.699 -9.764 -3.803 1.00 0.00 C ATOM 0 H THR A 66 0.518 -7.290 -4.714 1.00 0.00 H new ATOM 0 HA THR A 66 1.635 -9.268 -6.476 1.00 0.00 H new ATOM 0 HB THR A 66 0.331 -10.835 -5.033 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.519 -9.414 -3.051 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.508 -10.377 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.570 -10.151 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.889 -8.736 -3.495 1.00 0.00 H new ATOM 999 N GLU A 67 -0.702 -10.375 -7.311 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.866 -10.717 -8.112 1.00 0.00 C ATOM 1001 C GLU A 67 -3.129 -10.493 -7.286 1.00 0.00 C ATOM 1002 O GLU A 67 -4.135 -9.984 -7.782 1.00 0.00 O ATOM 1003 CB GLU A 67 -1.773 -12.175 -8.559 1.00 0.00 C ATOM 1004 CG GLU A 67 -2.865 -12.604 -9.521 1.00 0.00 C ATOM 1005 CD GLU A 67 -2.802 -14.084 -9.836 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -1.841 -14.516 -10.505 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -3.710 -14.825 -9.407 1.00 0.00 O ATOM 0 H GLU A 67 -0.096 -11.166 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.903 -10.083 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.804 -12.337 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.809 -12.816 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.838 -12.367 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.777 -12.034 -10.446 1.00 0.00 H new ATOM 1014 N LYS A 68 -3.043 -10.860 -6.011 1.00 0.00 N ATOM 1015 CA LYS A 68 -4.127 -10.652 -5.061 1.00 0.00 C ATOM 1016 C LYS A 68 -4.462 -9.165 -4.954 1.00 0.00 C ATOM 1017 O LYS A 68 -5.632 -8.778 -4.959 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.716 -11.204 -3.692 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.792 -11.099 -2.623 1.00 0.00 C ATOM 1020 CD LYS A 68 -4.277 -11.586 -1.275 1.00 0.00 C ATOM 1021 CE LYS A 68 -5.358 -11.540 -0.207 1.00 0.00 C ATOM 1022 NZ LYS A 68 -6.432 -12.539 -0.449 1.00 0.00 N ATOM 0 H LYS A 68 -2.220 -11.309 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.016 -11.178 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.435 -12.251 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.829 -10.671 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.123 -10.064 -2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.660 -11.688 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.908 -12.607 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.433 -10.970 -0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.909 -11.722 0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.794 -10.541 -0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.063 -12.577 0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.979 -12.264 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.007 -13.475 -0.604 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.425 -8.338 -4.872 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.623 -6.904 -4.810 1.00 0.00 C ATOM 1038 C GLY A 69 -4.100 -6.332 -6.130 1.00 0.00 C ATOM 1039 O GLY A 69 -4.915 -5.411 -6.155 1.00 0.00 O ATOM 0 H GLY A 69 -2.450 -8.637 -4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.351 -6.673 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.688 -6.422 -4.524 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.603 -6.891 -7.225 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.954 -6.432 -8.564 1.00 0.00 C ATOM 1045 C GLU A 70 -5.447 -6.627 -8.827 1.00 0.00 C ATOM 1046 O GLU A 70 -6.118 -5.735 -9.347 1.00 0.00 O ATOM 1047 CB GLU A 70 -3.136 -7.196 -9.604 1.00 0.00 C ATOM 1048 CG GLU A 70 -3.213 -6.614 -11.005 1.00 0.00 C ATOM 1049 CD GLU A 70 -2.463 -7.450 -12.020 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -1.356 -7.929 -11.704 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -2.983 -7.649 -13.131 1.00 0.00 O ATOM 0 H GLU A 70 -2.948 -7.672 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.727 -5.368 -8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.093 -7.215 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.480 -8.230 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.258 -6.534 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.805 -5.603 -10.998 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.960 -7.798 -8.465 1.00 0.00 N ATOM 1059 CA ASN A 71 -7.387 -8.086 -8.611 1.00 0.00 C ATOM 1060 C ASN A 71 -8.205 -7.237 -7.648 1.00 0.00 C ATOM 1061 O ASN A 71 -9.342 -6.858 -7.940 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.669 -9.572 -8.367 1.00 0.00 C ATOM 1063 CG ASN A 71 -7.163 -10.459 -9.491 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -7.118 -10.046 -10.652 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -6.778 -11.684 -9.157 1.00 0.00 N ATOM 0 H ASN A 71 -5.413 -8.563 -8.069 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.678 -7.839 -9.632 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.201 -9.877 -7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.743 -9.719 -8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.429 -12.322 -9.872 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.831 -11.988 -8.185 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.607 -6.933 -6.503 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.241 -6.106 -5.481 1.00 0.00 C ATOM 1074 C TYR A 72 -8.408 -4.662 -5.969 1.00 0.00 C ATOM 1075 O TYR A 72 -9.394 -3.997 -5.641 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.401 -6.161 -4.195 1.00 0.00 C ATOM 1077 CG TYR A 72 -7.798 -5.164 -3.128 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -8.973 -5.315 -2.403 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -6.990 -4.069 -2.846 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -9.332 -4.403 -1.427 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -7.340 -3.156 -1.871 1.00 0.00 C ATOM 1082 CZ TYR A 72 -8.512 -3.325 -1.166 1.00 0.00 C ATOM 1083 OH TYR A 72 -8.865 -2.407 -0.205 1.00 0.00 O ATOM 0 H TYR A 72 -6.670 -7.252 -6.256 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.238 -6.494 -5.273 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.470 -7.165 -3.776 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.355 -5.995 -4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.617 -6.158 -2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.073 -3.930 -3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.249 -4.534 -0.872 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.698 -2.313 -1.662 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.374 -2.594 0.622 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.446 -4.198 -6.765 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.485 -2.850 -7.330 1.00 0.00 C ATOM 1095 C LEU A 73 -8.741 -2.639 -8.169 1.00 0.00 C ATOM 1096 O LEU A 73 -9.390 -1.599 -8.079 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.250 -2.600 -8.201 1.00 0.00 C ATOM 1098 CG LEU A 73 -4.910 -2.615 -7.466 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -3.762 -2.490 -8.456 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -4.854 -1.490 -6.445 1.00 0.00 C ATOM 0 H LEU A 73 -6.625 -4.740 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.496 -2.145 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.222 -3.356 -8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.364 -1.634 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.813 -3.565 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.814 -2.502 -7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.793 -3.325 -9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.855 -1.553 -9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.894 -1.514 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.970 -0.532 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.658 -1.616 -5.720 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.078 -3.637 -8.972 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.222 -3.553 -9.871 1.00 0.00 C ATOM 1114 C LYS A 74 -11.536 -3.453 -9.099 1.00 0.00 C ATOM 1115 O LYS A 74 -12.390 -2.625 -9.416 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.240 -4.771 -10.803 1.00 0.00 C ATOM 1117 CG LYS A 74 -11.557 -4.971 -11.536 1.00 0.00 C ATOM 1118 CD LYS A 74 -11.453 -6.072 -12.578 1.00 0.00 C ATOM 1119 CE LYS A 74 -12.823 -6.591 -12.975 1.00 0.00 C ATOM 1120 NZ LYS A 74 -13.429 -7.426 -11.903 1.00 0.00 N ATOM 0 H LYS A 74 -8.572 -4.521 -9.020 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.121 -2.645 -10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.440 -4.666 -11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.022 -5.665 -10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.339 -5.220 -10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.851 -4.039 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.937 -5.693 -13.460 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.852 -6.892 -12.184 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.480 -5.750 -13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.738 -7.178 -13.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.378 -7.734 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.831 -8.260 -11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.502 -6.868 -11.028 1.00 0.00 H new ATOM 1134 N GLU A 75 -11.683 -4.277 -8.076 1.00 0.00 N ATOM 1135 CA GLU A 75 -12.938 -4.357 -7.341 1.00 0.00 C ATOM 1136 C GLU A 75 -13.242 -3.058 -6.600 1.00 0.00 C ATOM 1137 O GLU A 75 -14.311 -2.470 -6.772 1.00 0.00 O ATOM 1138 CB GLU A 75 -12.896 -5.522 -6.357 1.00 0.00 C ATOM 1139 CG GLU A 75 -12.678 -6.863 -7.036 1.00 0.00 C ATOM 1140 CD GLU A 75 -13.735 -7.157 -8.084 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -14.793 -7.707 -7.724 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -13.511 -6.833 -9.271 1.00 0.00 O ATOM 0 H GLU A 75 -10.951 -4.900 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.736 -4.522 -8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.097 -5.352 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.831 -5.552 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.693 -6.875 -7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.684 -7.653 -6.285 1.00 0.00 H new ATOM 1149 N ASN A 76 -12.290 -2.601 -5.801 1.00 0.00 N ATOM 1150 CA ASN A 76 -12.502 -1.424 -4.967 1.00 0.00 C ATOM 1151 C ASN A 76 -12.042 -0.157 -5.688 1.00 0.00 C ATOM 1152 O ASN A 76 -12.043 0.929 -5.123 1.00 0.00 O ATOM 1153 CB ASN A 76 -11.792 -1.587 -3.615 1.00 0.00 C ATOM 1154 CG ASN A 76 -12.309 -0.623 -2.556 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -11.565 0.437 -2.293 1.00 0.00 O flip ATOM 1156 ND2 ASN A 76 -13.367 -0.844 -1.964 1.00 0.00 N flip ATOM 0 H ASN A 76 -11.366 -3.024 -5.711 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.570 -1.325 -4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.922 -2.610 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.722 -1.430 -3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.916 -1.673 -2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.694 -0.198 -1.245 1.00 0.00 H new ATOM 1163 N GLY A 77 -11.650 -0.307 -6.950 1.00 0.00 N ATOM 1164 CA GLY A 77 -11.202 0.828 -7.750 1.00 0.00 C ATOM 1165 C GLY A 77 -12.263 1.902 -7.938 1.00 0.00 C ATOM 1166 O GLY A 77 -11.954 3.022 -8.344 1.00 0.00 O ATOM 0 H GLY A 77 -11.634 -1.202 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.328 1.273 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.885 0.468 -8.729 1.00 0.00 H new ATOM 1170 N THR A 78 -13.507 1.561 -7.643 1.00 0.00 N ATOM 1171 CA THR A 78 -14.617 2.497 -7.770 1.00 0.00 C ATOM 1172 C THR A 78 -14.856 3.237 -6.448 1.00 0.00 C ATOM 1173 O THR A 78 -15.866 3.926 -6.275 1.00 0.00 O ATOM 1174 CB THR A 78 -15.900 1.750 -8.210 1.00 0.00 C ATOM 1175 OG1 THR A 78 -16.998 2.660 -8.358 1.00 0.00 O ATOM 1176 CG2 THR A 78 -16.270 0.662 -7.212 1.00 0.00 C ATOM 0 H THR A 78 -13.777 0.635 -7.311 1.00 0.00 H new ATOM 0 HA THR A 78 -14.362 3.233 -8.532 1.00 0.00 H new ATOM 0 HB THR A 78 -15.692 1.286 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.932 3.366 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.175 0.154 -7.546 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.455 -0.058 -7.140 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.446 1.110 -6.234 1.00 0.00 H new ATOM 1184 N TRP A 79 -13.904 3.101 -5.534 1.00 0.00 N ATOM 1185 CA TRP A 79 -13.992 3.696 -4.204 1.00 0.00 C ATOM 1186 C TRP A 79 -13.982 5.223 -4.261 1.00 0.00 C ATOM 1187 O TRP A 79 -13.242 5.828 -5.043 1.00 0.00 O ATOM 1188 CB TRP A 79 -12.827 3.190 -3.349 1.00 0.00 C ATOM 1189 CG TRP A 79 -12.784 3.752 -1.964 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -13.625 3.463 -0.929 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -11.833 4.693 -1.459 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -13.261 4.175 0.186 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -12.161 4.935 -0.114 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -10.737 5.355 -2.015 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -11.434 5.814 0.682 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -10.015 6.226 -1.225 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -10.366 6.448 0.112 1.00 0.00 C ATOM 0 H TRP A 79 -13.046 2.573 -5.693 1.00 0.00 H new ATOM 0 HA TRP A 79 -14.940 3.397 -3.757 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.885 2.103 -3.285 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -11.891 3.430 -3.854 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -14.456 2.775 -0.980 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.732 4.144 1.090 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.459 5.188 -3.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.704 5.989 1.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.166 6.745 -1.645 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.780 7.135 0.705 1.00 0.00 H new ATOM 1208 N SER A 80 -14.819 5.831 -3.429 1.00 0.00 N ATOM 1209 CA SER A 80 -14.878 7.277 -3.309 1.00 0.00 C ATOM 1210 C SER A 80 -13.666 7.789 -2.537 1.00 0.00 C ATOM 1211 O SER A 80 -13.495 7.474 -1.360 1.00 0.00 O ATOM 1212 CB SER A 80 -16.163 7.683 -2.589 1.00 0.00 C ATOM 1213 OG SER A 80 -17.270 6.933 -3.064 1.00 0.00 O ATOM 0 H SER A 80 -15.472 5.335 -2.822 1.00 0.00 H new ATOM 0 HA SER A 80 -14.871 7.717 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.048 7.528 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.348 8.747 -2.740 1.00 0.00 H new ATOM 0 HG SER A 80 -18.081 7.209 -2.588 1.00 0.00 H new ATOM 1219 N LYS A 81 -12.831 8.576 -3.201 1.00 0.00 N ATOM 1220 CA LYS A 81 -11.598 9.070 -2.598 1.00 0.00 C ATOM 1221 C LYS A 81 -11.874 10.212 -1.617 1.00 0.00 C ATOM 1222 O LYS A 81 -12.942 10.286 -1.010 1.00 0.00 O ATOM 1223 CB LYS A 81 -10.636 9.532 -3.693 1.00 0.00 C ATOM 1224 CG LYS A 81 -10.300 8.448 -4.702 1.00 0.00 C ATOM 1225 CD LYS A 81 -9.418 8.977 -5.820 1.00 0.00 C ATOM 1226 CE LYS A 81 -9.142 7.903 -6.856 1.00 0.00 C ATOM 1227 NZ LYS A 81 -10.389 7.419 -7.506 1.00 0.00 N ATOM 0 H LYS A 81 -12.984 8.888 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.142 8.254 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.075 10.381 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.714 9.885 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.794 7.625 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.221 8.045 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.902 9.830 -6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.476 9.336 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.467 8.298 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.632 7.065 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.149 6.901 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.897 6.787 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.995 8.231 -7.743 1.00 0.00 H new ATOM 1241 N ALA A 82 -10.901 11.111 -1.477 1.00 0.00 N ATOM 1242 CA ALA A 82 -10.975 12.203 -0.508 1.00 0.00 C ATOM 1243 C ALA A 82 -12.080 13.208 -0.841 1.00 0.00 C ATOM 1244 O ALA A 82 -12.314 14.157 -0.092 1.00 0.00 O ATOM 1245 CB ALA A 82 -9.627 12.907 -0.414 1.00 0.00 C ATOM 0 H ALA A 82 -10.043 11.103 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.227 11.765 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.690 13.719 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.866 12.195 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.359 13.311 -1.390 1.00 0.00 H new TER 1251 ALA A 82