USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 461 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0325 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0101) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0869 (180deg=-0.272) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.373 F(o=-1.9,f=-0.37) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0333 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.41 K(o=-1.4,f=-4.2!) USER MOD Single : A 52 TYR OH : rot 2:sc= 1.16 USER MOD Single : B 1 VAL N :NH3+ -115:sc= -2.62! (180deg=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.316 2.992 4.231 1.00 0.00 N ATOM 2 CA MET A 1 7.315 1.553 4.072 1.00 0.00 C ATOM 3 C MET A 1 7.155 1.308 2.569 1.00 0.00 C ATOM 4 O MET A 1 6.296 1.893 1.918 1.00 0.00 O ATOM 5 CB MET A 1 6.112 0.988 4.845 1.00 0.00 C ATOM 6 CG MET A 1 5.835 -0.504 4.625 1.00 0.00 C ATOM 7 SD MET A 1 7.079 -1.552 5.397 1.00 0.00 S ATOM 8 CE MET A 1 6.274 -1.822 6.990 1.00 0.00 C ATOM 0 H1 MET A 1 6.702 3.254 5.029 1.00 0.00 H new ATOM 0 H2 MET A 1 8.285 3.320 4.418 1.00 0.00 H new ATOM 0 H3 MET A 1 6.961 3.438 3.361 1.00 0.00 H new ATOM 0 HA MET A 1 8.220 1.077 4.449 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.273 1.158 5.910 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.223 1.551 4.563 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.853 -0.752 5.028 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.802 -0.711 3.555 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.904 -2.458 7.613 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.121 -0.864 7.487 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.311 -2.308 6.833 1.00 0.00 H new ATOM 18 N GLU A 2 8.050 0.434 2.065 1.00 0.00 N ATOM 19 CA GLU A 2 8.013 0.092 0.650 1.00 0.00 C ATOM 20 C GLU A 2 6.956 -1.004 0.467 1.00 0.00 C ATOM 21 O GLU A 2 7.062 -2.120 0.965 1.00 0.00 O ATOM 22 CB GLU A 2 9.406 -0.332 0.174 1.00 0.00 C ATOM 23 CG GLU A 2 10.412 0.830 0.215 1.00 0.00 C ATOM 24 CD GLU A 2 10.024 1.975 -0.744 1.00 0.00 C ATOM 25 OE1 GLU A 2 10.174 1.806 -1.953 1.00 0.00 O ATOM 26 OE2 GLU A 2 9.577 3.019 -0.265 1.00 0.00 O ATOM 0 H GLU A 2 8.781 -0.029 2.605 1.00 0.00 H new ATOM 0 HA GLU A 2 7.735 0.949 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.769 -1.147 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.339 -0.717 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.476 1.217 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.403 0.459 -0.048 1.00 0.00 H new ATOM 33 N ALA A 3 5.925 -0.564 -0.272 1.00 0.00 N ATOM 34 CA ALA A 3 4.742 -1.349 -0.578 1.00 0.00 C ATOM 35 C ALA A 3 4.805 -1.912 -2.003 1.00 0.00 C ATOM 36 O ALA A 3 5.457 -1.369 -2.885 1.00 0.00 O ATOM 37 CB ALA A 3 3.600 -0.353 -0.432 1.00 0.00 C ATOM 0 H ALA A 3 5.901 0.371 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 3 4.632 -2.216 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.654 -0.851 -0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.585 0.037 0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.742 0.469 -1.133 1.00 0.00 H new ATOM 43 N ILE A 4 4.082 -3.041 -2.148 1.00 0.00 N ATOM 44 CA ILE A 4 4.015 -3.759 -3.417 1.00 0.00 C ATOM 45 C ILE A 4 2.620 -4.383 -3.557 1.00 0.00 C ATOM 46 O ILE A 4 2.272 -5.316 -2.846 1.00 0.00 O ATOM 47 CB ILE A 4 5.058 -4.901 -3.422 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.504 -4.372 -3.312 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.913 -5.815 -4.661 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.572 -5.472 -3.328 1.00 0.00 C ATOM 0 H ILE A 4 3.540 -3.467 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 4 4.215 -3.068 -4.236 1.00 0.00 H new ATOM 0 HB ILE A 4 4.852 -5.499 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.692 -3.685 -4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.601 -3.798 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.666 -6.602 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.919 -6.263 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.052 -5.225 -5.567 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.561 -5.020 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.411 -6.147 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.504 -6.032 -4.261 1.00 0.00 H new ATOM 62 N ALA A 5 1.848 -3.825 -4.504 1.00 0.00 N ATOM 63 CA ALA A 5 0.523 -4.360 -4.771 1.00 0.00 C ATOM 64 C ALA A 5 0.667 -5.777 -5.387 1.00 0.00 C ATOM 65 O ALA A 5 1.334 -5.974 -6.395 1.00 0.00 O ATOM 66 CB ALA A 5 -0.164 -3.453 -5.789 1.00 0.00 C ATOM 0 H ALA A 5 2.117 -3.026 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.057 -4.411 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.161 -3.837 -6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.243 -2.445 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.421 -3.429 -6.708 1.00 0.00 H new ATOM 72 N LYS A 6 -0.024 -6.724 -4.735 1.00 0.00 N ATOM 73 CA LYS A 6 -0.034 -8.125 -5.150 1.00 0.00 C ATOM 74 C LYS A 6 -1.129 -8.405 -6.175 1.00 0.00 C ATOM 75 O LYS A 6 -1.052 -9.353 -6.949 1.00 0.00 O ATOM 76 CB LYS A 6 -0.388 -8.988 -3.954 1.00 0.00 C ATOM 77 CG LYS A 6 0.747 -9.013 -2.946 1.00 0.00 C ATOM 78 CD LYS A 6 0.731 -10.326 -2.184 1.00 0.00 C ATOM 79 CE LYS A 6 -0.414 -10.399 -1.170 1.00 0.00 C ATOM 80 NZ LYS A 6 -0.331 -11.596 -0.344 1.00 0.00 N ATOM 0 H LYS A 6 -0.589 -6.535 -3.907 1.00 0.00 H new ATOM 0 HA LYS A 6 0.950 -8.340 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.292 -8.605 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.607 -10.003 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.702 -8.891 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.647 -8.178 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.641 -11.151 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.681 -10.453 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.391 -9.515 -0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.368 -10.387 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.123 -11.609 0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.378 -12.440 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.568 -11.595 0.179 1.00 0.00 H new ATOM 94 N TYR A 7 -2.141 -7.527 -6.115 1.00 0.00 N ATOM 95 CA TYR A 7 -3.282 -7.679 -7.001 1.00 0.00 C ATOM 96 C TYR A 7 -3.759 -6.338 -7.527 1.00 0.00 C ATOM 97 O TYR A 7 -3.327 -5.261 -7.137 1.00 0.00 O ATOM 98 CB TYR A 7 -4.430 -8.314 -6.198 1.00 0.00 C ATOM 99 CG TYR A 7 -4.160 -9.760 -5.939 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.353 -10.667 -6.967 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.745 -10.213 -4.694 1.00 0.00 C ATOM 102 CE1 TYR A 7 -4.178 -12.021 -6.765 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.544 -11.569 -4.476 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.788 -12.490 -5.503 1.00 0.00 C ATOM 105 OH TYR A 7 -3.668 -13.852 -5.266 1.00 0.00 O ATOM 0 H TYR A 7 -2.186 -6.730 -5.480 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.986 -8.299 -7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.553 -7.787 -5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.366 -8.207 -6.746 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.645 -10.309 -7.943 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.578 -9.508 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.341 -12.716 -7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.199 -11.915 -3.513 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.388 -13.999 -4.339 1.00 0.00 H new ATOM 115 N ASP A 8 -4.696 -6.543 -8.474 1.00 0.00 N ATOM 116 CA ASP A 8 -5.368 -5.435 -9.111 1.00 0.00 C ATOM 117 C ASP A 8 -6.532 -5.114 -8.177 1.00 0.00 C ATOM 118 O ASP A 8 -7.243 -5.976 -7.673 1.00 0.00 O ATOM 119 CB ASP A 8 -5.855 -5.793 -10.517 1.00 0.00 C ATOM 120 CG ASP A 8 -6.527 -4.588 -11.206 1.00 0.00 C ATOM 121 OD1 ASP A 8 -7.716 -4.366 -10.978 1.00 0.00 O ATOM 122 OD2 ASP A 8 -5.851 -3.888 -11.958 1.00 0.00 O ATOM 0 H ASP A 8 -4.990 -7.464 -8.800 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.705 -4.582 -9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.013 -6.135 -11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.562 -6.621 -10.459 1.00 0.00 H new ATOM 127 N PHE A 9 -6.607 -3.801 -7.973 1.00 0.00 N ATOM 128 CA PHE A 9 -7.609 -3.230 -7.100 1.00 0.00 C ATOM 129 C PHE A 9 -8.160 -1.934 -7.687 1.00 0.00 C ATOM 130 O PHE A 9 -7.508 -1.165 -8.379 1.00 0.00 O ATOM 131 CB PHE A 9 -7.000 -2.974 -5.713 1.00 0.00 C ATOM 132 CG PHE A 9 -8.063 -2.731 -4.673 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.921 -3.767 -4.334 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.226 -1.492 -4.053 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.927 -3.577 -3.406 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.237 -1.301 -3.113 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.091 -2.349 -2.789 1.00 0.00 C ATOM 0 H PHE A 9 -5.983 -3.119 -8.404 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.435 -3.935 -7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.392 -3.830 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.335 -2.112 -5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.801 -4.733 -4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.565 -0.676 -4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.590 -4.393 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.357 -0.339 -2.636 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.876 -2.206 -2.062 1.00 0.00 H new ATOM 147 N LYS A 10 -9.431 -1.772 -7.320 1.00 0.00 N ATOM 148 CA LYS A 10 -10.217 -0.609 -7.690 1.00 0.00 C ATOM 149 C LYS A 10 -10.921 -0.119 -6.414 1.00 0.00 C ATOM 150 O LYS A 10 -11.578 -0.878 -5.713 1.00 0.00 O ATOM 151 CB LYS A 10 -11.170 -0.916 -8.859 1.00 0.00 C ATOM 152 CG LYS A 10 -12.437 -1.720 -8.514 1.00 0.00 C ATOM 153 CD LYS A 10 -12.180 -3.040 -7.776 1.00 0.00 C ATOM 154 CE LYS A 10 -11.437 -4.100 -8.599 1.00 0.00 C ATOM 155 NZ LYS A 10 -12.227 -4.586 -9.725 1.00 0.00 N ATOM 0 H LYS A 10 -9.941 -2.451 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.587 0.194 -8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.476 0.029 -9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.613 -1.464 -9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.089 -1.098 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.976 -1.935 -9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.604 -2.830 -6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.136 -3.453 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.502 -3.679 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.175 -4.939 -7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.695 -5.324 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.123 -4.982 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.427 -3.799 -10.374 1.00 0.00 H new ATOM 169 N ALA A 11 -10.716 1.177 -6.132 1.00 0.00 N ATOM 170 CA ALA A 11 -11.346 1.766 -4.937 1.00 0.00 C ATOM 171 C ALA A 11 -12.863 1.508 -4.876 1.00 0.00 C ATOM 172 O ALA A 11 -13.558 1.348 -5.873 1.00 0.00 O ATOM 173 CB ALA A 11 -11.133 3.267 -4.777 1.00 0.00 C ATOM 0 H ALA A 11 -10.145 1.815 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.834 1.255 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.632 3.611 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.066 3.477 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.548 3.787 -5.640 1.00 0.00 H new ATOM 179 N THR A 12 -13.286 1.510 -3.604 1.00 0.00 N ATOM 180 CA THR A 12 -14.672 1.303 -3.219 1.00 0.00 C ATOM 181 C THR A 12 -15.301 2.601 -2.685 1.00 0.00 C ATOM 182 O THR A 12 -16.512 2.715 -2.532 1.00 0.00 O ATOM 183 CB THR A 12 -14.659 0.263 -2.069 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.199 0.768 -0.775 1.00 0.00 O ATOM 185 CG2 THR A 12 -13.987 -1.055 -2.559 1.00 0.00 C ATOM 0 H THR A 12 -12.661 1.658 -2.811 1.00 0.00 H new ATOM 0 HA THR A 12 -15.251 0.973 -4.081 1.00 0.00 H new ATOM 0 HB THR A 12 -15.695 0.024 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.226 0.045 -0.113 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.980 -1.783 -1.748 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.548 -1.457 -3.403 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.963 -0.848 -2.869 1.00 0.00 H new ATOM 193 N ALA A 13 -14.390 3.563 -2.433 1.00 0.00 N ATOM 194 CA ALA A 13 -14.752 4.864 -1.895 1.00 0.00 C ATOM 195 C ALA A 13 -13.741 5.906 -2.379 1.00 0.00 C ATOM 196 O ALA A 13 -12.665 5.598 -2.870 1.00 0.00 O ATOM 197 CB ALA A 13 -14.740 4.777 -0.360 1.00 0.00 C ATOM 0 H ALA A 13 -13.390 3.448 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.746 5.157 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.010 5.745 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.459 4.026 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.743 4.498 -0.019 1.00 0.00 H new ATOM 203 N ASP A 14 -14.187 7.159 -2.199 1.00 0.00 N ATOM 204 CA ASP A 14 -13.426 8.335 -2.598 1.00 0.00 C ATOM 205 C ASP A 14 -12.125 8.501 -1.773 1.00 0.00 C ATOM 206 O ASP A 14 -11.139 9.066 -2.230 1.00 0.00 O ATOM 207 CB ASP A 14 -14.406 9.504 -2.443 1.00 0.00 C ATOM 208 CG ASP A 14 -13.970 10.766 -3.209 1.00 0.00 C ATOM 209 OD1 ASP A 14 -12.981 11.384 -2.822 1.00 0.00 O ATOM 210 OD2 ASP A 14 -14.631 11.120 -4.184 1.00 0.00 O ATOM 0 H ASP A 14 -15.087 7.377 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.062 8.265 -3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.390 9.194 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.508 9.746 -1.385 1.00 0.00 H new ATOM 215 N ASP A 15 -12.187 7.951 -0.537 1.00 0.00 N ATOM 216 CA ASP A 15 -11.051 8.006 0.384 1.00 0.00 C ATOM 217 C ASP A 15 -9.972 6.953 0.044 1.00 0.00 C ATOM 218 O ASP A 15 -8.820 7.067 0.442 1.00 0.00 O ATOM 219 CB ASP A 15 -11.584 7.879 1.818 1.00 0.00 C ATOM 220 CG ASP A 15 -12.249 6.528 2.128 1.00 0.00 C ATOM 221 OD1 ASP A 15 -11.535 5.535 2.232 1.00 0.00 O ATOM 222 OD2 ASP A 15 -13.468 6.483 2.282 1.00 0.00 O ATOM 0 H ASP A 15 -13.007 7.471 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.542 8.965 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.760 8.033 2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.306 8.676 1.997 1.00 0.00 H new ATOM 227 N GLU A 16 -10.429 5.957 -0.739 1.00 0.00 N ATOM 228 CA GLU A 16 -9.604 4.844 -1.206 1.00 0.00 C ATOM 229 C GLU A 16 -9.160 5.161 -2.643 1.00 0.00 C ATOM 230 O GLU A 16 -9.773 5.945 -3.356 1.00 0.00 O ATOM 231 CB GLU A 16 -10.446 3.549 -1.237 1.00 0.00 C ATOM 232 CG GLU A 16 -10.472 2.812 0.110 1.00 0.00 C ATOM 233 CD GLU A 16 -11.301 1.515 0.088 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.287 0.812 -0.927 1.00 0.00 O ATOM 235 OE2 GLU A 16 -11.958 1.217 1.088 1.00 0.00 O ATOM 0 H GLU A 16 -11.394 5.909 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.749 4.709 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.467 3.794 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.047 2.882 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.450 2.575 0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.876 3.479 0.872 1.00 0.00 H new ATOM 242 N LEU A 17 -8.052 4.488 -3.018 1.00 0.00 N ATOM 243 CA LEU A 17 -7.520 4.681 -4.370 1.00 0.00 C ATOM 244 C LEU A 17 -7.179 3.313 -4.981 1.00 0.00 C ATOM 245 O LEU A 17 -6.950 2.315 -4.307 1.00 0.00 O ATOM 246 CB LEU A 17 -6.358 5.700 -4.374 1.00 0.00 C ATOM 247 CG LEU A 17 -4.939 5.125 -4.169 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.169 5.232 -5.477 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.119 5.853 -3.109 1.00 0.00 C ATOM 0 H LEU A 17 -7.533 3.836 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.275 5.129 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.376 6.235 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.545 6.435 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.079 4.096 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.165 4.828 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.687 4.666 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.102 6.278 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.137 5.388 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.003 6.899 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.631 5.793 -2.148 1.00 0.00 H new ATOM 261 N SER A 18 -7.170 3.379 -6.319 1.00 0.00 N ATOM 262 CA SER A 18 -6.930 2.234 -7.171 1.00 0.00 C ATOM 263 C SER A 18 -5.426 2.015 -7.418 1.00 0.00 C ATOM 264 O SER A 18 -4.599 2.907 -7.314 1.00 0.00 O ATOM 265 CB SER A 18 -7.572 2.631 -8.528 1.00 0.00 C ATOM 266 OG SER A 18 -9.022 2.964 -8.613 1.00 0.00 O ATOM 0 H SER A 18 -7.332 4.244 -6.834 1.00 0.00 H new ATOM 0 HA SER A 18 -7.330 1.324 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.022 3.494 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.390 1.810 -9.222 1.00 0.00 H new ATOM 0 HG SER A 18 -9.252 3.191 -9.538 1.00 0.00 H new ATOM 272 N PHE A 19 -5.161 0.750 -7.777 1.00 0.00 N ATOM 273 CA PHE A 19 -3.809 0.308 -8.126 1.00 0.00 C ATOM 274 C PHE A 19 -3.950 -0.979 -8.924 1.00 0.00 C ATOM 275 O PHE A 19 -4.911 -1.720 -8.795 1.00 0.00 O ATOM 276 CB PHE A 19 -2.838 0.113 -6.943 1.00 0.00 C ATOM 277 CG PHE A 19 -3.406 -0.740 -5.838 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.239 -2.120 -5.854 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.092 -0.157 -4.777 1.00 0.00 C ATOM 280 CE1 PHE A 19 -3.725 -2.906 -4.818 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.593 -0.942 -3.747 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.402 -2.316 -3.760 1.00 0.00 C ATOM 0 H PHE A 19 -5.868 0.017 -7.832 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.347 1.111 -8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.918 -0.344 -7.309 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.570 1.089 -6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.725 -2.586 -6.682 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.236 0.913 -4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.576 -3.976 -4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.133 -0.481 -2.933 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.778 -2.924 -2.950 1.00 0.00 H new ATOM 292 N LYS A 20 -2.926 -1.171 -9.763 1.00 0.00 N ATOM 293 CA LYS A 20 -2.853 -2.327 -10.629 1.00 0.00 C ATOM 294 C LYS A 20 -1.788 -3.255 -10.053 1.00 0.00 C ATOM 295 O LYS A 20 -0.792 -2.797 -9.512 1.00 0.00 O ATOM 296 CB LYS A 20 -2.413 -1.841 -12.018 1.00 0.00 C ATOM 297 CG LYS A 20 -3.394 -0.840 -12.658 1.00 0.00 C ATOM 298 CD LYS A 20 -2.761 -0.041 -13.808 1.00 0.00 C ATOM 299 CE LYS A 20 -1.756 1.012 -13.315 1.00 0.00 C ATOM 300 NZ LYS A 20 -1.219 1.829 -14.400 1.00 0.00 N ATOM 0 H LYS A 20 -2.138 -0.530 -9.852 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.809 -2.846 -10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.431 -1.374 -11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.303 -2.702 -12.677 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.264 -1.379 -13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.751 -0.149 -11.894 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.257 -0.728 -14.488 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.548 0.453 -14.378 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.242 1.659 -12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.935 0.512 -12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.547 2.522 -14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.730 1.218 -15.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.997 2.329 -14.876 1.00 0.00 H new ATOM 314 N ARG A 21 -2.072 -4.565 -10.190 1.00 0.00 N ATOM 315 CA ARG A 21 -1.154 -5.617 -9.744 1.00 0.00 C ATOM 316 C ARG A 21 0.298 -5.320 -10.193 1.00 0.00 C ATOM 317 O ARG A 21 0.659 -5.509 -11.349 1.00 0.00 O ATOM 318 CB ARG A 21 -1.644 -6.944 -10.352 1.00 0.00 C ATOM 319 CG ARG A 21 -0.855 -8.182 -9.888 1.00 0.00 C ATOM 320 CD ARG A 21 0.303 -8.604 -10.804 1.00 0.00 C ATOM 321 NE ARG A 21 -0.175 -8.914 -12.149 1.00 0.00 N ATOM 322 CZ ARG A 21 0.627 -9.416 -13.113 1.00 0.00 C ATOM 323 NH1 ARG A 21 1.908 -9.669 -12.876 1.00 0.00 N ATOM 324 NH2 ARG A 21 0.127 -9.655 -14.318 1.00 0.00 N ATOM 0 H ARG A 21 -2.934 -4.915 -10.608 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.146 -5.669 -8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.695 -7.081 -10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.585 -6.876 -11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.456 -7.986 -8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.547 -9.019 -9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.042 -7.804 -10.853 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.804 -9.476 -10.383 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.156 -8.744 -12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.302 -9.484 -11.953 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.498 -10.048 -13.616 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.855 -9.460 -14.510 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.725 -10.034 -15.052 1.00 0.00 H new ATOM 338 N GLY A 22 1.081 -4.835 -9.203 1.00 0.00 N ATOM 339 CA GLY A 22 2.479 -4.506 -9.436 1.00 0.00 C ATOM 340 C GLY A 22 2.860 -3.061 -9.094 1.00 0.00 C ATOM 341 O GLY A 22 4.040 -2.736 -9.158 1.00 0.00 O ATOM 0 H GLY A 22 0.760 -4.669 -8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.100 -5.181 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.712 -4.691 -10.485 1.00 0.00 H new ATOM 345 N ASP A 23 1.870 -2.193 -8.735 1.00 0.00 N ATOM 346 CA ASP A 23 2.288 -0.839 -8.419 1.00 0.00 C ATOM 347 C ASP A 23 2.931 -0.837 -7.031 1.00 0.00 C ATOM 348 O ASP A 23 2.496 -1.519 -6.116 1.00 0.00 O ATOM 349 CB ASP A 23 1.119 0.160 -8.434 1.00 0.00 C ATOM 350 CG ASP A 23 0.426 0.331 -9.803 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.928 -0.172 -10.808 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.613 0.990 -9.847 1.00 0.00 O ATOM 0 H ASP A 23 0.873 -2.398 -8.667 1.00 0.00 H new ATOM 0 HA ASP A 23 2.995 -0.522 -9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.376 -0.162 -7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.487 1.132 -8.106 1.00 0.00 H new ATOM 357 N ILE A 24 3.972 0.003 -6.940 1.00 0.00 N ATOM 358 CA ILE A 24 4.704 0.159 -5.692 1.00 0.00 C ATOM 359 C ILE A 24 4.102 1.422 -5.080 1.00 0.00 C ATOM 360 O ILE A 24 4.029 2.465 -5.719 1.00 0.00 O ATOM 361 CB ILE A 24 6.214 0.305 -5.989 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.779 -1.024 -6.530 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.023 0.785 -4.767 1.00 0.00 C ATOM 364 CD1 ILE A 24 8.218 -0.921 -7.048 1.00 0.00 C ATOM 0 H ILE A 24 4.317 0.575 -7.711 1.00 0.00 H new ATOM 0 HA ILE A 24 4.621 -0.691 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 24 6.317 1.079 -6.750 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.741 -1.773 -5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.137 -1.379 -7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.076 0.868 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.653 1.758 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.913 0.068 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.544 -1.895 -7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.261 -0.197 -7.862 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.873 -0.597 -6.240 1.00 0.00 H new ATOM 376 N LEU A 25 3.668 1.253 -3.813 1.00 0.00 N ATOM 377 CA LEU A 25 3.029 2.364 -3.139 1.00 0.00 C ATOM 378 C LEU A 25 3.994 3.017 -2.182 1.00 0.00 C ATOM 379 O LEU A 25 5.076 2.529 -1.869 1.00 0.00 O ATOM 380 CB LEU A 25 1.810 1.913 -2.329 1.00 0.00 C ATOM 381 CG LEU A 25 0.774 1.112 -3.099 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.402 1.732 -4.427 1.00 0.00 C ATOM 383 CD2 LEU A 25 1.028 -0.394 -3.239 1.00 0.00 C ATOM 0 H LEU A 25 3.750 0.393 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 25 2.712 3.062 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.156 1.313 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.325 2.796 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.089 1.176 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.342 1.109 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.011 2.727 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.290 1.808 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.217 -0.848 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.972 -0.557 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.076 -0.849 -2.249 1.00 0.00 H new ATOM 395 N LYS A 26 3.462 4.173 -1.761 1.00 0.00 N ATOM 396 CA LYS A 26 4.204 5.010 -0.830 1.00 0.00 C ATOM 397 C LYS A 26 3.411 5.134 0.455 1.00 0.00 C ATOM 398 O LYS A 26 2.460 5.888 0.505 1.00 0.00 O ATOM 399 CB LYS A 26 4.559 6.359 -1.463 1.00 0.00 C ATOM 400 CG LYS A 26 5.663 7.118 -0.707 1.00 0.00 C ATOM 401 CD LYS A 26 5.195 7.740 0.613 1.00 0.00 C ATOM 402 CE LYS A 26 6.259 8.627 1.251 1.00 0.00 C ATOM 403 NZ LYS A 26 5.805 9.132 2.543 1.00 0.00 N ATOM 0 H LYS A 26 2.551 4.535 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 26 5.160 4.548 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.880 6.196 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.664 6.980 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.487 6.434 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.055 7.906 -1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.295 8.329 0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.924 6.946 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.181 8.061 1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.488 9.462 0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.603 9.575 3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.054 9.837 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.434 8.345 3.113 1.00 0.00 H new ATOM 417 N VAL A 27 3.882 4.458 1.520 1.00 0.00 N ATOM 418 CA VAL A 27 3.078 4.528 2.737 1.00 0.00 C ATOM 419 C VAL A 27 3.519 5.763 3.531 1.00 0.00 C ATOM 420 O VAL A 27 4.689 6.046 3.762 1.00 0.00 O ATOM 421 CB VAL A 27 3.179 3.226 3.550 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.110 3.167 4.654 1.00 0.00 C ATOM 423 CG2 VAL A 27 3.066 1.985 2.642 1.00 0.00 C ATOM 0 H VAL A 27 4.738 3.905 1.562 1.00 0.00 H new ATOM 0 HA VAL A 27 2.022 4.632 2.488 1.00 0.00 H new ATOM 0 HB VAL A 27 4.162 3.222 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.211 2.234 5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.242 4.009 5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.119 3.216 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.141 1.082 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.105 1.997 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.871 1.997 1.908 1.00 0.00 H new ATOM 433 N LEU A 28 2.443 6.475 3.893 1.00 0.00 N ATOM 434 CA LEU A 28 2.490 7.733 4.606 1.00 0.00 C ATOM 435 C LEU A 28 1.287 7.719 5.548 1.00 0.00 C ATOM 436 O LEU A 28 0.226 8.276 5.292 1.00 0.00 O ATOM 437 CB LEU A 28 2.382 8.843 3.544 1.00 0.00 C ATOM 438 CG LEU A 28 2.342 10.280 4.093 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.496 10.575 5.062 1.00 0.00 C ATOM 440 CD2 LEU A 28 2.342 11.282 2.933 1.00 0.00 C ATOM 0 H LEU A 28 1.492 6.171 3.685 1.00 0.00 H new ATOM 0 HA LEU A 28 3.400 7.894 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.229 8.755 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.481 8.672 2.955 1.00 0.00 H new ATOM 0 HG LEU A 28 1.420 10.384 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.418 11.602 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.443 9.892 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.447 10.441 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.314 12.297 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.246 11.150 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.467 11.113 2.306 1.00 0.00 H new ATOM 452 N ASN A 29 1.578 7.003 6.654 1.00 0.00 N ATOM 453 CA ASN A 29 0.667 6.729 7.758 1.00 0.00 C ATOM 454 C ASN A 29 -0.128 5.465 7.403 1.00 0.00 C ATOM 455 O ASN A 29 -0.073 4.946 6.293 1.00 0.00 O ATOM 456 CB ASN A 29 -0.215 7.926 8.170 1.00 0.00 C ATOM 457 CG ASN A 29 0.660 9.118 8.588 1.00 0.00 C ATOM 458 OD1 ASN A 29 1.603 8.985 9.356 1.00 0.00 O ATOM 459 ND2 ASN A 29 0.290 10.284 8.038 1.00 0.00 N ATOM 0 H ASN A 29 2.498 6.587 6.797 1.00 0.00 H new ATOM 0 HA ASN A 29 1.249 6.553 8.663 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.860 8.214 7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.867 7.638 8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.808 11.136 8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.509 10.318 7.405 1.00 0.00 H new ATOM 536 N ASN A 35 -5.892 -3.613 8.599 1.00 0.00 N ATOM 537 CA ASN A 35 -6.472 -4.088 7.367 1.00 0.00 C ATOM 538 C ASN A 35 -6.358 -3.015 6.270 1.00 0.00 C ATOM 539 O ASN A 35 -6.578 -3.323 5.109 1.00 0.00 O ATOM 540 CB ASN A 35 -7.965 -4.330 7.630 1.00 0.00 C ATOM 541 CG ASN A 35 -8.252 -5.662 8.313 1.00 0.00 C ATOM 542 OD1 ASN A 35 -8.034 -6.672 7.477 1.00 0.00 O flip ATOM 543 ND2 ASN A 35 -8.641 -5.762 9.469 1.00 0.00 N flip ATOM 0 HA ASN A 35 -5.956 -4.991 7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.353 -3.522 8.250 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.504 -4.292 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.779 -4.925 10.035 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.827 -6.683 9.867 1.00 0.00 H new ATOM 550 N TRP A 36 -6.013 -1.768 6.678 1.00 0.00 N ATOM 551 CA TRP A 36 -5.871 -0.666 5.736 1.00 0.00 C ATOM 552 C TRP A 36 -4.622 0.170 6.062 1.00 0.00 C ATOM 553 O TRP A 36 -4.220 0.343 7.206 1.00 0.00 O ATOM 554 CB TRP A 36 -7.119 0.222 5.859 1.00 0.00 C ATOM 555 CG TRP A 36 -8.331 -0.596 5.485 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.069 -1.412 6.352 1.00 0.00 C ATOM 557 CD2 TRP A 36 -8.887 -0.761 4.166 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.024 -2.056 5.629 1.00 0.00 N ATOM 559 CE2 TRP A 36 -9.946 -1.686 4.289 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.585 -0.218 2.942 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.661 -2.045 3.178 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.314 -0.586 1.814 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.356 -1.500 1.931 1.00 0.00 C ATOM 0 H TRP A 36 -5.832 -1.517 7.650 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.766 -1.059 4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.216 0.599 6.877 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.032 1.090 5.205 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.907 -1.513 7.415 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.700 -2.716 6.013 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.780 0.496 2.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.468 -2.757 3.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.071 -0.163 0.851 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -10.926 -1.786 1.060 1.00 0.00 H new ATOM 574 N TYR A 37 -4.066 0.671 4.946 1.00 0.00 N ATOM 575 CA TYR A 37 -2.891 1.536 4.932 1.00 0.00 C ATOM 576 C TYR A 37 -3.214 2.757 4.081 1.00 0.00 C ATOM 577 O TYR A 37 -3.981 2.674 3.137 1.00 0.00 O ATOM 578 CB TYR A 37 -1.726 0.862 4.188 1.00 0.00 C ATOM 579 CG TYR A 37 -1.033 -0.227 4.947 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.799 -0.112 6.309 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.575 -1.349 4.271 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.104 -1.091 6.990 1.00 0.00 C ATOM 583 CE2 TYR A 37 0.128 -2.343 4.935 1.00 0.00 C ATOM 584 CZ TYR A 37 0.390 -2.203 6.305 1.00 0.00 C ATOM 585 OH TYR A 37 1.124 -3.152 7.002 1.00 0.00 O ATOM 0 H TYR A 37 -4.433 0.478 4.014 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.631 1.765 5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.103 0.448 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.993 1.625 3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.164 0.753 6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.769 -1.449 3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.058 -0.997 8.054 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.471 -3.217 4.401 1.00 0.00 H new ATOM 0 HH TYR A 37 1.399 -3.867 6.391 1.00 0.00 H new ATOM 595 N LYS A 38 -2.567 3.872 4.464 1.00 0.00 N ATOM 596 CA LYS A 38 -2.707 5.112 3.723 1.00 0.00 C ATOM 597 C LYS A 38 -1.412 5.249 2.909 1.00 0.00 C ATOM 598 O LYS A 38 -0.329 5.345 3.470 1.00 0.00 O ATOM 599 CB LYS A 38 -2.914 6.303 4.649 1.00 0.00 C ATOM 600 CG LYS A 38 -3.398 7.496 3.822 1.00 0.00 C ATOM 601 CD LYS A 38 -3.523 8.763 4.645 1.00 0.00 C ATOM 602 CE LYS A 38 -4.760 8.784 5.547 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.920 10.058 6.241 1.00 0.00 N ATOM 0 H LYS A 38 -1.951 3.928 5.275 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.586 5.093 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.644 6.058 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.983 6.551 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.704 7.668 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.365 7.258 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.631 8.876 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.558 9.621 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.648 8.586 4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.686 7.981 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.770 10.023 6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.086 10.236 6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.018 10.823 5.544 1.00 0.00 H new ATOM 617 N ALA A 39 -1.575 5.217 1.568 1.00 0.00 N ATOM 618 CA ALA A 39 -0.393 5.328 0.718 1.00 0.00 C ATOM 619 C ALA A 39 -0.650 6.261 -0.463 1.00 0.00 C ATOM 620 O ALA A 39 -1.753 6.764 -0.623 1.00 0.00 O ATOM 621 CB ALA A 39 0.059 3.927 0.300 1.00 0.00 C ATOM 0 H ALA A 39 -2.466 5.120 1.081 1.00 0.00 H new ATOM 0 HA ALA A 39 0.425 5.784 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.942 4.004 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.301 3.343 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.743 3.435 -0.251 1.00 0.00 H new ATOM 627 N GLU A 40 0.414 6.450 -1.290 1.00 0.00 N ATOM 628 CA GLU A 40 0.273 7.378 -2.414 1.00 0.00 C ATOM 629 C GLU A 40 0.726 6.764 -3.751 1.00 0.00 C ATOM 630 O GLU A 40 1.649 5.961 -3.839 1.00 0.00 O ATOM 631 CB GLU A 40 1.071 8.649 -2.064 1.00 0.00 C ATOM 632 CG GLU A 40 0.913 9.798 -3.079 1.00 0.00 C ATOM 633 CD GLU A 40 1.661 11.072 -2.634 1.00 0.00 C ATOM 634 OE1 GLU A 40 2.822 10.971 -2.230 1.00 0.00 O ATOM 635 OE2 GLU A 40 1.074 12.151 -2.706 1.00 0.00 O ATOM 0 H GLU A 40 1.323 5.996 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.780 7.619 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.757 9.002 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.127 8.391 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.290 9.478 -4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.145 10.025 -3.207 1.00 0.00 H new ATOM 642 N LEU A 41 -0.022 7.254 -4.766 1.00 0.00 N ATOM 643 CA LEU A 41 0.143 6.917 -6.180 1.00 0.00 C ATOM 644 C LEU A 41 -0.503 7.929 -7.100 1.00 0.00 C ATOM 645 O LEU A 41 -1.632 8.360 -6.901 1.00 0.00 O ATOM 646 CB LEU A 41 -0.698 5.688 -6.574 1.00 0.00 C ATOM 647 CG LEU A 41 -0.049 4.330 -6.444 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.168 3.295 -6.456 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.841 4.099 -7.663 1.00 0.00 C ATOM 0 H LEU A 41 -0.781 7.917 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 41 1.223 6.816 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.602 5.689 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.012 5.813 -7.610 1.00 0.00 H new ATOM 0 HG LEU A 41 0.544 4.260 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.741 2.296 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.843 3.479 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.721 3.368 -7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.318 3.122 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.235 4.136 -8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.606 4.874 -7.707 1.00 0.00 H new ATOM 661 N ASN A 42 0.269 8.204 -8.169 1.00 0.00 N ATOM 662 CA ASN A 42 -0.271 9.001 -9.261 1.00 0.00 C ATOM 663 C ASN A 42 -0.815 10.393 -8.854 1.00 0.00 C ATOM 664 O ASN A 42 -1.722 10.926 -9.481 1.00 0.00 O ATOM 665 CB ASN A 42 -1.342 8.038 -9.852 1.00 0.00 C ATOM 666 CG ASN A 42 -1.303 7.897 -11.366 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.730 8.752 -12.128 1.00 0.00 O ATOM 668 ND2 ASN A 42 -0.758 6.724 -11.724 1.00 0.00 N ATOM 0 H ASN A 42 1.233 7.894 -8.289 1.00 0.00 H new ATOM 0 HA ASN A 42 0.489 9.305 -9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.211 7.052 -9.405 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.330 8.392 -9.559 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.672 6.482 -12.711 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.430 6.075 -11.009 1.00 0.00 H new ATOM 675 N GLY A 43 -0.212 10.937 -7.770 1.00 0.00 N ATOM 676 CA GLY A 43 -0.614 12.244 -7.245 1.00 0.00 C ATOM 677 C GLY A 43 -1.978 12.222 -6.528 1.00 0.00 C ATOM 678 O GLY A 43 -2.652 13.238 -6.404 1.00 0.00 O ATOM 0 H GLY A 43 0.545 10.489 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.148 12.598 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.655 12.960 -8.066 1.00 0.00 H new ATOM 682 N LYS A 44 -2.345 10.995 -6.100 1.00 0.00 N ATOM 683 CA LYS A 44 -3.591 10.724 -5.400 1.00 0.00 C ATOM 684 C LYS A 44 -3.287 9.768 -4.236 1.00 0.00 C ATOM 685 O LYS A 44 -2.881 8.630 -4.439 1.00 0.00 O ATOM 686 CB LYS A 44 -4.596 10.095 -6.379 1.00 0.00 C ATOM 687 CG LYS A 44 -4.920 11.022 -7.558 1.00 0.00 C ATOM 688 CD LYS A 44 -5.950 10.428 -8.522 1.00 0.00 C ATOM 689 CE LYS A 44 -6.237 11.379 -9.687 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.189 10.824 -10.641 1.00 0.00 N ATOM 0 H LYS A 44 -1.769 10.165 -6.239 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.027 11.643 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.191 9.157 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.516 9.853 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.295 11.971 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.002 11.239 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.583 9.477 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.875 10.218 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.626 12.319 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.304 11.609 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.349 11.507 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.809 9.940 -11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.090 10.629 -10.159 1.00 0.00 H new ATOM 704 N ASP A 45 -3.491 10.311 -3.020 1.00 0.00 N ATOM 705 CA ASP A 45 -3.274 9.571 -1.787 1.00 0.00 C ATOM 706 C ASP A 45 -4.646 9.027 -1.311 1.00 0.00 C ATOM 707 O ASP A 45 -5.663 9.710 -1.356 1.00 0.00 O ATOM 708 CB ASP A 45 -2.638 10.546 -0.781 1.00 0.00 C ATOM 709 CG ASP A 45 -2.374 9.891 0.585 1.00 0.00 C ATOM 710 OD1 ASP A 45 -3.296 9.848 1.398 1.00 0.00 O ATOM 711 OD2 ASP A 45 -1.252 9.444 0.823 1.00 0.00 O ATOM 0 H ASP A 45 -3.809 11.270 -2.878 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.606 8.718 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.699 10.922 -1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.295 11.406 -0.648 1.00 0.00 H new ATOM 716 N GLY A 46 -4.595 7.759 -0.857 1.00 0.00 N ATOM 717 CA GLY A 46 -5.807 7.073 -0.400 1.00 0.00 C ATOM 718 C GLY A 46 -5.500 5.753 0.310 1.00 0.00 C ATOM 719 O GLY A 46 -4.364 5.301 0.363 1.00 0.00 O ATOM 0 H GLY A 46 -3.742 7.203 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.357 7.727 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.456 6.880 -1.254 1.00 0.00 H new ATOM 723 N PHE A 47 -6.591 5.153 0.832 1.00 0.00 N ATOM 724 CA PHE A 47 -6.459 3.880 1.531 1.00 0.00 C ATOM 725 C PHE A 47 -6.380 2.701 0.540 1.00 0.00 C ATOM 726 O PHE A 47 -6.918 2.733 -0.561 1.00 0.00 O ATOM 727 CB PHE A 47 -7.623 3.690 2.509 1.00 0.00 C ATOM 728 CG PHE A 47 -7.573 4.723 3.597 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.788 4.523 4.728 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.298 5.902 3.479 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.724 5.495 5.719 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.234 6.874 4.462 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.452 6.670 5.589 1.00 0.00 C ATOM 0 H PHE A 47 -7.540 5.524 0.780 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.527 3.898 2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.570 3.763 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.579 2.692 2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.225 3.608 4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.919 6.062 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.107 5.336 6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.793 7.791 4.351 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.409 7.422 6.363 1.00 0.00 H new ATOM 743 N ILE A 48 -5.641 1.682 1.027 1.00 0.00 N ATOM 744 CA ILE A 48 -5.407 0.434 0.311 1.00 0.00 C ATOM 745 C ILE A 48 -5.469 -0.715 1.348 1.00 0.00 C ATOM 746 O ILE A 48 -4.994 -0.547 2.462 1.00 0.00 O ATOM 747 CB ILE A 48 -4.046 0.483 -0.422 1.00 0.00 C ATOM 748 CG1 ILE A 48 -2.842 0.540 0.548 1.00 0.00 C ATOM 749 CG2 ILE A 48 -3.996 1.647 -1.431 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.482 0.526 -0.149 1.00 0.00 C ATOM 0 H ILE A 48 -5.189 1.715 1.941 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.165 0.271 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.961 -0.454 -0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.919 1.443 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.898 -0.308 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.027 1.655 -1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.785 1.520 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.141 2.591 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.690 0.568 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.382 -0.389 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.403 1.389 -0.810 1.00 0.00 H new ATOM 762 N PRO A 49 -6.065 -1.883 0.978 1.00 0.00 N ATOM 763 CA PRO A 49 -6.157 -3.026 1.892 1.00 0.00 C ATOM 764 C PRO A 49 -4.814 -3.757 2.083 1.00 0.00 C ATOM 765 O PRO A 49 -4.047 -3.886 1.138 1.00 0.00 O ATOM 766 CB PRO A 49 -7.160 -3.984 1.241 1.00 0.00 C ATOM 767 CG PRO A 49 -7.469 -3.434 -0.154 1.00 0.00 C ATOM 768 CD PRO A 49 -6.726 -2.109 -0.305 1.00 0.00 C ATOM 0 HA PRO A 49 -6.457 -2.683 2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.745 -4.990 1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.069 -4.053 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.153 -4.140 -0.922 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.542 -3.287 -0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.001 -2.156 -1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.415 -1.297 -0.540 1.00 0.00 H new ATOM 776 N LYS A 50 -4.575 -4.265 3.324 1.00 0.00 N ATOM 777 CA LYS A 50 -3.296 -4.966 3.509 1.00 0.00 C ATOM 778 C LYS A 50 -3.266 -6.328 2.789 1.00 0.00 C ATOM 779 O LYS A 50 -2.214 -6.728 2.310 1.00 0.00 O ATOM 780 CB LYS A 50 -3.017 -5.263 4.987 1.00 0.00 C ATOM 781 CG LYS A 50 -2.951 -4.028 5.876 1.00 0.00 C ATOM 782 CD LYS A 50 -2.035 -4.233 7.089 1.00 0.00 C ATOM 783 CE LYS A 50 -2.442 -5.391 8.000 1.00 0.00 C ATOM 784 NZ LYS A 50 -1.539 -5.501 9.140 1.00 0.00 N ATOM 0 H LYS A 50 -5.192 -4.208 4.134 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.547 -4.292 3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.795 -5.926 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.073 -5.802 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.592 -3.181 5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.954 -3.776 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.018 -4.405 6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.018 -3.314 7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.462 -5.240 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.435 -6.323 7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.836 -6.294 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.570 -5.668 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.565 -4.619 9.690 1.00 0.00 H new ATOM 798 N ASN A 51 -4.430 -7.021 2.706 1.00 0.00 N ATOM 799 CA ASN A 51 -4.391 -8.328 2.016 1.00 0.00 C ATOM 800 C ASN A 51 -4.161 -8.233 0.489 1.00 0.00 C ATOM 801 O ASN A 51 -3.902 -9.243 -0.155 1.00 0.00 O ATOM 802 CB ASN A 51 -5.479 -9.326 2.442 1.00 0.00 C ATOM 803 CG ASN A 51 -6.899 -8.777 2.529 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.390 -8.504 3.612 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.544 -8.654 1.366 1.00 0.00 N ATOM 0 H ASN A 51 -5.334 -6.727 3.075 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.479 -8.789 2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.476 -10.158 1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.208 -9.733 3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.506 -8.314 1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.075 -8.900 0.494 1.00 0.00 H new ATOM 812 N TYR A 52 -4.214 -6.992 -0.050 1.00 0.00 N ATOM 813 CA TYR A 52 -3.949 -6.817 -1.480 1.00 0.00 C ATOM 814 C TYR A 52 -2.479 -6.437 -1.760 1.00 0.00 C ATOM 815 O TYR A 52 -2.107 -6.350 -2.920 1.00 0.00 O ATOM 816 CB TYR A 52 -4.874 -5.722 -2.026 1.00 0.00 C ATOM 817 CG TYR A 52 -6.189 -6.328 -2.410 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.063 -6.770 -1.430 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.536 -6.482 -3.744 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.259 -7.379 -1.759 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.721 -7.102 -4.092 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.592 -7.565 -3.111 1.00 0.00 C ATOM 823 OH TYR A 52 -9.771 -8.165 -3.533 1.00 0.00 O ATOM 0 H TYR A 52 -4.429 -6.138 0.464 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.139 -7.768 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.024 -4.948 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.416 -5.241 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.805 -6.636 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.876 -6.115 -4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.933 -7.710 -0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.973 -7.228 -5.135 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.319 -8.393 -2.753 1.00 0.00 H new ATOM 833 N ILE A 53 -1.681 -6.222 -0.684 1.00 0.00 N ATOM 834 CA ILE A 53 -0.251 -5.870 -0.828 1.00 0.00 C ATOM 835 C ILE A 53 0.639 -6.805 0.031 1.00 0.00 C ATOM 836 O ILE A 53 0.191 -7.544 0.899 1.00 0.00 O ATOM 837 CB ILE A 53 0.013 -4.347 -0.586 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.273 -4.008 0.255 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.216 -3.613 -0.047 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.434 -2.539 0.565 1.00 0.00 C ATOM 0 H ILE A 53 -2.002 -6.286 0.282 1.00 0.00 H new ATOM 0 HA ILE A 53 0.037 -6.041 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 53 0.230 -3.974 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.231 -4.563 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.157 -4.354 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.975 -2.560 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.034 -3.700 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.516 -4.055 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.338 -2.389 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.511 -1.977 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.570 -2.189 1.130 1.00 0.00 H new ATOM 852 N GLU A 54 1.937 -6.686 -0.326 1.00 0.00 N ATOM 853 CA GLU A 54 3.100 -7.337 0.251 1.00 0.00 C ATOM 854 C GLU A 54 4.050 -6.203 0.696 1.00 0.00 C ATOM 855 O GLU A 54 4.453 -5.363 -0.098 1.00 0.00 O ATOM 856 CB GLU A 54 3.765 -8.192 -0.829 1.00 0.00 C ATOM 857 CG GLU A 54 5.039 -8.902 -0.344 1.00 0.00 C ATOM 858 CD GLU A 54 5.592 -9.811 -1.450 1.00 0.00 C ATOM 859 OE1 GLU A 54 5.126 -10.944 -1.560 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.474 -9.377 -2.191 1.00 0.00 O ATOM 0 H GLU A 54 2.205 -6.073 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 54 2.843 -7.980 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.053 -8.939 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.012 -7.560 -1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.790 -8.164 -0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.819 -9.492 0.546 1.00 0.00 H new ATOM 927 N VAL B 1 -9.359 -13.767 -9.043 1.00 0.00 N ATOM 928 CA VAL B 1 -9.221 -14.349 -7.710 1.00 0.00 C ATOM 929 C VAL B 1 -9.421 -13.359 -6.526 1.00 0.00 C ATOM 930 O VAL B 1 -10.367 -13.477 -5.756 1.00 0.00 O ATOM 931 CB VAL B 1 -10.054 -15.632 -7.671 1.00 0.00 C ATOM 932 CG1 VAL B 1 -9.606 -16.582 -8.792 1.00 0.00 C ATOM 933 CG2 VAL B 1 -9.957 -16.355 -6.318 1.00 0.00 C ATOM 0 H1 VAL B 1 -10.183 -14.185 -9.521 1.00 0.00 H new ATOM 0 H2 VAL B 1 -9.491 -12.739 -8.961 1.00 0.00 H new ATOM 0 H3 VAL B 1 -8.501 -13.963 -9.598 1.00 0.00 H new ATOM 0 HA VAL B 1 -8.178 -14.615 -7.539 1.00 0.00 H new ATOM 0 HB VAL B 1 -11.095 -15.342 -7.816 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -10.204 -17.493 -8.758 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -9.742 -16.095 -9.758 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -8.554 -16.833 -8.657 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -10.566 -17.258 -6.344 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -8.919 -16.623 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -10.317 -15.697 -5.527 1.00 0.00 H new ATOM 943 N PRO B 2 -8.463 -12.383 -6.424 1.00 0.00 N ATOM 944 CA PRO B 2 -8.373 -11.338 -5.413 1.00 0.00 C ATOM 945 C PRO B 2 -9.301 -11.393 -4.156 1.00 0.00 C ATOM 946 O PRO B 2 -10.511 -11.238 -4.262 1.00 0.00 O ATOM 947 CB PRO B 2 -8.291 -10.066 -6.273 1.00 0.00 C ATOM 948 CG PRO B 2 -7.739 -10.543 -7.628 1.00 0.00 C ATOM 949 CD PRO B 2 -7.497 -12.043 -7.457 1.00 0.00 C ATOM 0 HA PRO B 2 -7.504 -11.446 -4.764 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -9.270 -9.601 -6.386 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.636 -9.323 -5.819 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.448 -10.348 -8.433 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.816 -10.022 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -7.675 -12.594 -8.381 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -6.474 -12.260 -7.148 1.00 0.00 H new ATOM 957 N PRO B 3 -8.662 -11.607 -2.952 1.00 0.00 N ATOM 958 CA PRO B 3 -9.327 -11.752 -1.650 1.00 0.00 C ATOM 959 C PRO B 3 -10.520 -10.848 -1.312 1.00 0.00 C ATOM 960 O PRO B 3 -10.688 -9.771 -1.856 1.00 0.00 O ATOM 961 CB PRO B 3 -8.214 -11.377 -0.654 1.00 0.00 C ATOM 962 CG PRO B 3 -6.926 -11.831 -1.316 1.00 0.00 C ATOM 963 CD PRO B 3 -7.197 -11.643 -2.801 1.00 0.00 C ATOM 0 HA PRO B 3 -9.755 -12.754 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -8.202 -10.304 -0.461 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -8.360 -11.872 0.306 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.075 -11.235 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.699 -12.870 -1.079 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.746 -10.720 -3.165 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.766 -12.459 -3.381 1.00 0.00 H new ATOM 971 N PRO B 4 -11.353 -11.310 -0.342 1.00 0.00 N ATOM 972 CA PRO B 4 -12.462 -10.490 0.124 1.00 0.00 C ATOM 973 C PRO B 4 -11.819 -9.387 0.968 1.00 0.00 C ATOM 974 O PRO B 4 -11.230 -9.613 2.018 1.00 0.00 O ATOM 975 CB PRO B 4 -13.295 -11.447 0.983 1.00 0.00 C ATOM 976 CG PRO B 4 -12.303 -12.521 1.448 1.00 0.00 C ATOM 977 CD PRO B 4 -11.242 -12.591 0.347 1.00 0.00 C ATOM 0 HA PRO B 4 -13.084 -10.035 -0.647 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.743 -10.929 1.831 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -14.112 -11.885 0.409 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.858 -12.257 2.407 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.798 -13.483 1.580 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -10.245 -12.733 0.764 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.426 -13.425 -0.331 1.00 0.00 H new ATOM 985 N VAL B 5 -11.951 -8.188 0.385 1.00 0.00 N ATOM 986 CA VAL B 5 -11.388 -6.986 0.962 1.00 0.00 C ATOM 987 C VAL B 5 -11.955 -6.781 2.386 1.00 0.00 C ATOM 988 O VAL B 5 -13.150 -6.953 2.598 1.00 0.00 O ATOM 989 CB VAL B 5 -11.631 -5.805 0.046 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.632 -4.681 0.349 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.589 -6.098 -1.461 1.00 0.00 C ATOM 0 H VAL B 5 -12.449 -8.037 -0.492 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.307 -7.083 1.060 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.658 -5.514 0.265 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.819 -3.839 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.750 -4.358 1.383 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.616 -5.046 0.196 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.777 -5.179 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.607 -6.489 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.353 -6.834 -1.710 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.073 -6.426 3.361 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.516 -6.234 4.741 1.00 0.00 C ATOM 1003 C PRO B 6 -12.633 -5.195 4.936 1.00 0.00 C ATOM 1004 O PRO B 6 -12.873 -4.343 4.091 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.263 -5.719 5.462 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.082 -6.151 4.606 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.633 -6.187 3.186 1.00 0.00 C ATOM 0 HA PRO B 6 -11.934 -7.170 5.111 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.292 -4.635 5.569 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.191 -6.137 6.466 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.252 -5.450 4.692 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.707 -7.128 4.911 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.446 -5.249 2.663 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.167 -6.978 2.598 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.319 -5.297 6.104 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.352 -4.333 6.450 1.00 0.00 C ATOM 1017 C PRO B 7 -13.663 -3.041 6.932 1.00 0.00 C ATOM 1018 O PRO B 7 -12.966 -3.039 7.941 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.089 -4.997 7.622 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.054 -5.937 8.254 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.164 -6.370 7.089 1.00 0.00 C ATOM 0 HA PRO B 7 -15.018 -4.080 5.625 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.440 -4.255 8.340 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -15.965 -5.547 7.278 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.477 -5.429 9.026 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.533 -6.794 8.726 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.125 -6.479 7.400 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.478 -7.332 6.684 1.00 0.00 H new ATOM 1029 N ARG B 8 -13.880 -1.959 6.154 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.309 -0.657 6.501 1.00 0.00 C ATOM 1031 C ARG B 8 -14.326 0.048 7.418 1.00 0.00 C ATOM 1032 O ARG B 8 -15.020 0.993 7.064 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.033 0.123 5.216 1.00 0.00 C ATOM 1034 CG ARG B 8 -12.026 1.273 5.364 1.00 0.00 C ATOM 1035 CD ARG B 8 -12.440 2.331 6.391 1.00 0.00 C ATOM 1036 NE ARG B 8 -11.581 3.499 6.284 1.00 0.00 N ATOM 1037 CZ ARG B 8 -11.797 4.472 5.378 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -12.829 4.424 4.545 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -10.968 5.497 5.322 1.00 0.00 N ATOM 0 H ARG B 8 -14.437 -1.967 5.299 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.359 -0.743 7.028 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.664 -0.569 4.460 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -13.974 0.528 4.845 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -11.058 0.861 5.651 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -11.893 1.754 4.395 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -13.479 2.619 6.229 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -12.378 1.916 7.397 1.00 0.00 H new ATOM 0 HE ARG B 8 -10.786 3.585 6.918 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -13.479 3.639 4.583 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -12.972 5.173 3.867 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -10.174 5.546 5.960 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -11.121 6.240 4.640 1.00 0.00 H new