USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN : amide:sc= 0.741 K(o=0.74,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.701 K(o=0.7,f=-1.8!) USER MOD Single : A 20 SER OG : rot 38:sc= 1.3 USER MOD Single : A 25 SER OG : rot 180:sc= 0.727 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0262) USER MOD Single : A 32 MET CE :methyl 138:sc= -0.0104 (180deg=-1.18) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -21:sc= 0.465 USER MOD Single : A 40 GLN : amide:sc= -0.306 K(o=-0.31,f=-2.4) USER MOD Single : A 48 CYS SG : rot 61:sc= -0.466 USER MOD Single : A 49 SER OG : rot 29:sc= 0.181 USER MOD Single : A 51 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.011) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 63 LYS NZ :NH3+ -117:sc= 0.33 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.189 2.642 -20.285 1.00 25.00 N ATOM 81 CA LEU A 6 9.717 2.184 -21.587 1.00 25.00 C ATOM 82 C LEU A 6 8.756 2.407 -22.762 1.00 25.00 C ATOM 83 O LEU A 6 9.188 2.823 -23.837 1.00 25.00 O ATOM 84 CB LEU A 6 10.079 0.696 -21.532 1.00 25.00 C ATOM 85 CG LEU A 6 11.286 0.301 -20.671 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.474 -1.193 -20.774 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.576 1.010 -21.106 1.00 25.00 C ATOM 0 HA LEU A 6 10.602 2.795 -21.766 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.210 0.150 -21.166 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.264 0.355 -22.551 1.00 25.00 H new ATOM 0 HG LEU A 6 11.085 0.605 -19.644 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.328 -1.495 -20.168 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.578 -1.698 -20.414 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.652 -1.466 -21.814 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.399 0.695 -20.464 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.803 0.751 -22.140 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.444 2.089 -21.023 1.00 25.00 H new ATOM 99 N ASN A 7 7.471 2.145 -22.547 1.00 25.00 N ATOM 100 CA ASN A 7 6.420 2.373 -23.553 1.00 25.00 C ATOM 101 C ASN A 7 6.703 1.614 -24.865 1.00 25.00 C ATOM 102 O ASN A 7 6.445 2.100 -25.966 1.00 25.00 O ATOM 103 CB ASN A 7 6.236 3.883 -23.787 1.00 25.00 C ATOM 104 CG ASN A 7 4.804 4.257 -24.114 1.00 25.00 C ATOM 105 OD1 ASN A 7 4.150 4.944 -23.352 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.318 3.816 -25.238 1.00 25.00 N ATOM 0 H ASN A 7 7.120 1.766 -21.668 1.00 25.00 H new ATOM 0 HA ASN A 7 5.483 1.971 -23.168 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.554 4.425 -22.897 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.885 4.201 -24.603 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.360 4.044 -25.504 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.895 3.242 -25.853 1.00 25.00 H new ATOM 113 N VAL A 8 7.220 0.406 -24.722 1.00 25.00 N ATOM 114 CA VAL A 8 7.510 -0.471 -25.858 1.00 25.00 C ATOM 115 C VAL A 8 6.445 -1.551 -25.787 1.00 25.00 C ATOM 116 O VAL A 8 5.999 -1.883 -24.704 1.00 25.00 O ATOM 117 CB VAL A 8 8.945 -1.091 -25.730 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.237 -2.085 -26.873 1.00 25.00 C ATOM 119 CG2 VAL A 8 10.006 0.013 -25.747 1.00 25.00 C ATOM 0 H VAL A 8 7.453 -0.001 -23.816 1.00 25.00 H new ATOM 0 HA VAL A 8 7.494 0.062 -26.808 1.00 25.00 H new ATOM 0 HB VAL A 8 8.982 -1.628 -24.782 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.240 -2.495 -26.752 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.508 -2.895 -26.846 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.169 -1.569 -27.830 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.997 -0.433 -25.657 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.941 0.566 -26.684 1.00 25.00 H new ATOM 0 HG23 VAL A 8 9.837 0.693 -24.912 1.00 25.00 H new ATOM 129 N LEU A 9 6.031 -2.102 -26.914 1.00 25.00 N ATOM 130 CA LEU A 9 5.060 -3.192 -26.919 1.00 25.00 C ATOM 131 C LEU A 9 5.523 -4.236 -27.917 1.00 25.00 C ATOM 132 O LEU A 9 6.300 -3.936 -28.836 1.00 25.00 O ATOM 133 CB LEU A 9 3.633 -2.702 -27.232 1.00 25.00 C ATOM 134 CG LEU A 9 3.410 -1.806 -28.465 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.988 -2.014 -28.979 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.601 -0.320 -28.120 1.00 25.00 C ATOM 0 H LEU A 9 6.349 -1.816 -27.840 1.00 25.00 H new ATOM 0 HA LEU A 9 5.008 -3.629 -25.922 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.999 -3.582 -27.344 1.00 25.00 H new ATOM 0 HB3 LEU A 9 3.272 -2.158 -26.359 1.00 25.00 H new ATOM 0 HG LEU A 9 4.142 -2.081 -29.225 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.821 -1.383 -29.852 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.850 -3.060 -29.255 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.276 -1.748 -28.198 1.00 25.00 H new ATOM 0 HD21 LEU A 9 3.437 0.285 -29.012 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.887 -0.031 -27.349 1.00 25.00 H new ATOM 0 HD23 LEU A 9 4.615 -0.159 -27.754 1.00 25.00 H new ATOM 148 N ALA A 10 5.123 -5.477 -27.684 1.00 25.00 N ATOM 149 CA ALA A 10 5.620 -6.597 -28.464 1.00 25.00 C ATOM 150 C ALA A 10 4.536 -7.647 -28.673 1.00 25.00 C ATOM 151 O ALA A 10 3.669 -7.836 -27.823 1.00 25.00 O ATOM 152 CB ALA A 10 6.821 -7.211 -27.744 1.00 25.00 C ATOM 0 H ALA A 10 4.453 -5.733 -26.958 1.00 25.00 H new ATOM 0 HA ALA A 10 5.923 -6.236 -29.447 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.201 -8.053 -28.323 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.604 -6.461 -27.638 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.515 -7.558 -26.757 1.00 25.00 H new ATOM 158 N LYS A 11 4.612 -8.348 -29.797 1.00 25.00 N ATOM 159 CA LYS A 11 3.681 -9.434 -30.099 1.00 25.00 C ATOM 160 C LYS A 11 4.304 -10.765 -29.704 1.00 25.00 C ATOM 161 O LYS A 11 5.468 -11.013 -30.004 1.00 25.00 O ATOM 162 CB LYS A 11 3.342 -9.460 -31.593 1.00 25.00 C ATOM 163 CG LYS A 11 2.245 -10.478 -31.940 1.00 25.00 C ATOM 164 CD LYS A 11 1.872 -10.468 -33.405 1.00 25.00 C ATOM 165 CE LYS A 11 2.927 -11.171 -34.251 1.00 25.00 C ATOM 166 NZ LYS A 11 2.514 -11.209 -35.693 1.00 25.00 N ATOM 0 H LYS A 11 5.312 -8.184 -30.520 1.00 25.00 H new ATOM 0 HA LYS A 11 2.764 -9.269 -29.533 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.020 -8.466 -31.905 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.242 -9.696 -32.161 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.583 -11.477 -31.664 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.358 -10.265 -31.343 1.00 25.00 H new ATOM 0 HD2 LYS A 11 0.908 -10.959 -33.540 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.756 -9.439 -33.746 1.00 25.00 H new ATOM 0 HE2 LYS A 11 3.881 -10.653 -34.155 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.077 -12.186 -33.884 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.247 -11.692 -36.251 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.615 -11.723 -35.783 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.394 -10.238 -36.045 1.00 25.00 H new ATOM 180 N ALA A 12 3.527 -11.624 -29.074 1.00 25.00 N ATOM 181 CA ALA A 12 3.995 -12.947 -28.693 1.00 25.00 C ATOM 182 C ALA A 12 4.090 -13.837 -29.932 1.00 25.00 C ATOM 183 O ALA A 12 3.176 -13.879 -30.761 1.00 25.00 O ATOM 184 CB ALA A 12 3.041 -13.552 -27.668 1.00 25.00 C ATOM 0 H ALA A 12 2.561 -11.429 -28.812 1.00 25.00 H new ATOM 0 HA ALA A 12 4.986 -12.870 -28.245 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.393 -14.544 -27.384 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.003 -12.914 -26.785 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.044 -13.632 -28.101 1.00 25.00 H new ATOM 190 N LEU A 13 5.196 -14.550 -30.048 1.00 25.00 N ATOM 191 CA LEU A 13 5.420 -15.477 -31.156 1.00 25.00 C ATOM 192 C LEU A 13 4.941 -16.868 -30.768 1.00 25.00 C ATOM 193 O LEU A 13 4.456 -17.634 -31.601 1.00 25.00 O ATOM 194 CB LEU A 13 6.918 -15.536 -31.486 1.00 25.00 C ATOM 195 CG LEU A 13 7.548 -14.234 -31.994 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.064 -14.378 -32.034 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.011 -13.886 -33.392 1.00 25.00 C ATOM 0 H LEU A 13 5.966 -14.507 -29.381 1.00 25.00 H new ATOM 0 HA LEU A 13 4.865 -15.129 -32.027 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.454 -15.850 -30.591 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.073 -16.309 -32.239 1.00 25.00 H new ATOM 0 HG LEU A 13 7.283 -13.425 -31.313 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.508 -13.451 -32.396 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.436 -14.592 -31.032 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.334 -15.195 -32.703 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.469 -12.959 -33.737 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.254 -14.691 -34.086 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.929 -13.761 -33.346 1.00 25.00 H new ATOM 209 N TYR A 14 5.073 -17.174 -29.487 1.00 25.00 N ATOM 210 CA TYR A 14 4.702 -18.474 -28.937 1.00 25.00 C ATOM 211 C TYR A 14 3.688 -18.220 -27.841 1.00 25.00 C ATOM 212 O TYR A 14 3.540 -17.088 -27.391 1.00 25.00 O ATOM 213 CB TYR A 14 5.929 -19.169 -28.351 1.00 25.00 C ATOM 214 CG TYR A 14 7.096 -19.256 -29.315 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.082 -18.249 -29.339 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.232 -20.344 -30.198 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.184 -18.320 -30.233 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.338 -20.420 -31.096 1.00 25.00 C ATOM 219 CZ TYR A 14 9.301 -19.405 -31.101 1.00 25.00 C ATOM 220 OH TYR A 14 10.367 -19.478 -31.965 1.00 25.00 O ATOM 0 H TYR A 14 5.443 -16.525 -28.793 1.00 25.00 H new ATOM 0 HA TYR A 14 4.289 -19.116 -29.715 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.247 -18.633 -27.456 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.651 -20.176 -28.038 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.998 -17.409 -28.666 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.491 -21.130 -30.196 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.928 -17.537 -30.240 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.432 -21.259 -31.770 1.00 25.00 H new ATOM 0 HH TYR A 14 10.299 -20.297 -32.499 1.00 25.00 H new ATOM 230 N ASP A 15 2.986 -19.253 -27.416 1.00 25.00 N ATOM 231 CA ASP A 15 2.010 -19.141 -26.339 1.00 25.00 C ATOM 232 C ASP A 15 2.650 -19.617 -25.054 1.00 25.00 C ATOM 233 O ASP A 15 3.706 -20.256 -25.075 1.00 25.00 O ATOM 234 CB ASP A 15 0.750 -19.962 -26.654 1.00 25.00 C ATOM 235 CG ASP A 15 1.045 -21.425 -26.919 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.779 -21.729 -27.891 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.420 -22.269 -26.257 1.00 25.00 O ATOM 0 H ASP A 15 3.073 -20.193 -27.804 1.00 25.00 H new ATOM 0 HA ASP A 15 1.704 -18.100 -26.233 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.054 -19.883 -25.819 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.253 -19.534 -27.525 1.00 25.00 H new ATOM 242 N ASN A 16 2.041 -19.266 -23.934 1.00 25.00 N ATOM 243 CA ASN A 16 2.547 -19.647 -22.625 1.00 25.00 C ATOM 244 C ASN A 16 1.426 -19.762 -21.602 1.00 25.00 C ATOM 245 O ASN A 16 0.496 -18.951 -21.590 1.00 25.00 O ATOM 246 CB ASN A 16 3.530 -18.596 -22.121 1.00 25.00 C ATOM 247 CG ASN A 16 4.302 -19.072 -20.937 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.912 -20.130 -20.987 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.274 -18.324 -19.878 1.00 25.00 N ATOM 0 H ASN A 16 1.186 -18.711 -23.905 1.00 25.00 H new ATOM 0 HA ASN A 16 3.034 -20.616 -22.738 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.221 -18.333 -22.922 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.987 -17.689 -21.858 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.776 -18.611 -19.038 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.750 -17.449 -19.885 1.00 25.00 H new ATOM 256 N VAL A 17 1.567 -20.713 -20.696 1.00 25.00 N ATOM 257 CA VAL A 17 0.662 -20.847 -19.564 1.00 25.00 C ATOM 258 C VAL A 17 1.586 -20.723 -18.364 1.00 25.00 C ATOM 259 O VAL A 17 2.623 -21.371 -18.297 1.00 25.00 O ATOM 260 CB VAL A 17 -0.142 -22.194 -19.602 1.00 25.00 C ATOM 261 CG1 VAL A 17 0.772 -23.408 -19.871 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.930 -22.391 -18.301 1.00 25.00 C ATOM 0 H VAL A 17 2.309 -21.413 -20.722 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.126 -20.095 -19.551 1.00 25.00 H new ATOM 0 HB VAL A 17 -0.845 -22.127 -20.432 1.00 25.00 H new ATOM 0 HG11 VAL A 17 0.172 -24.318 -19.889 1.00 25.00 H new ATOM 0 HG12 VAL A 17 1.270 -23.283 -20.833 1.00 25.00 H new ATOM 0 HG13 VAL A 17 1.520 -23.482 -19.082 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.480 -23.331 -18.348 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -0.240 -22.416 -17.458 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -1.631 -21.566 -18.172 1.00 25.00 H new ATOM 272 N ALA A 18 1.256 -19.792 -17.488 1.00 25.00 N ATOM 273 CA ALA A 18 2.101 -19.493 -16.353 1.00 25.00 C ATOM 274 C ALA A 18 1.974 -20.586 -15.303 1.00 25.00 C ATOM 275 O ALA A 18 0.884 -21.122 -15.100 1.00 25.00 O ATOM 276 CB ALA A 18 1.688 -18.153 -15.749 1.00 25.00 C ATOM 0 H ALA A 18 0.406 -19.230 -17.543 1.00 25.00 H new ATOM 0 HA ALA A 18 3.138 -19.440 -16.686 1.00 25.00 H new ATOM 0 HB1 ALA A 18 2.325 -17.928 -14.894 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.795 -17.368 -16.498 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.649 -18.205 -15.424 1.00 25.00 H new ATOM 282 N GLU A 19 3.066 -20.860 -14.606 1.00 25.00 N ATOM 283 CA GLU A 19 3.043 -21.786 -13.470 1.00 25.00 C ATOM 284 C GLU A 19 3.239 -21.005 -12.173 1.00 25.00 C ATOM 285 O GLU A 19 2.656 -21.344 -11.141 1.00 25.00 O ATOM 286 CB GLU A 19 4.087 -22.907 -13.636 1.00 25.00 C ATOM 287 CG GLU A 19 5.554 -22.465 -13.683 1.00 25.00 C ATOM 288 CD GLU A 19 6.287 -22.756 -12.380 1.00 25.00 C ATOM 289 OE1 GLU A 19 6.068 -22.024 -11.393 1.00 25.00 O ATOM 290 OE2 GLU A 19 7.084 -23.718 -12.343 1.00 25.00 O ATOM 0 H GLU A 19 3.982 -20.457 -14.802 1.00 25.00 H new ATOM 0 HA GLU A 19 2.071 -22.278 -13.431 1.00 25.00 H new ATOM 0 HB2 GLU A 19 3.968 -23.611 -12.812 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.863 -23.450 -14.554 1.00 25.00 H new ATOM 0 HG2 GLU A 19 6.059 -22.975 -14.503 1.00 25.00 H new ATOM 0 HG3 GLU A 19 5.603 -21.397 -13.894 1.00 25.00 H new ATOM 297 N SER A 20 3.990 -19.912 -12.252 1.00 25.00 N ATOM 298 CA SER A 20 4.199 -19.034 -11.108 1.00 25.00 C ATOM 299 C SER A 20 3.189 -17.892 -11.159 1.00 25.00 C ATOM 300 O SER A 20 2.795 -17.462 -12.240 1.00 25.00 O ATOM 301 CB SER A 20 5.617 -18.460 -11.143 1.00 25.00 C ATOM 302 OG SER A 20 6.581 -19.445 -10.812 1.00 25.00 O ATOM 0 H SER A 20 4.467 -19.612 -13.102 1.00 25.00 H new ATOM 0 HA SER A 20 4.067 -19.604 -10.188 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.826 -18.063 -12.136 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.691 -17.627 -10.445 1.00 25.00 H new ATOM 0 HG SER A 20 6.313 -20.307 -11.194 1.00 25.00 H new ATOM 308 N PRO A 21 2.787 -17.350 -9.994 1.00 25.00 N ATOM 309 CA PRO A 21 1.829 -16.237 -10.052 1.00 25.00 C ATOM 310 C PRO A 21 2.449 -14.930 -10.551 1.00 25.00 C ATOM 311 O PRO A 21 1.741 -14.016 -10.957 1.00 25.00 O ATOM 312 CB PRO A 21 1.377 -16.107 -8.597 1.00 25.00 C ATOM 313 CG PRO A 21 2.558 -16.534 -7.811 1.00 25.00 C ATOM 314 CD PRO A 21 3.130 -17.693 -8.598 1.00 25.00 C ATOM 0 HA PRO A 21 1.021 -16.430 -10.758 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.089 -15.083 -8.359 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.512 -16.737 -8.391 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.282 -15.726 -7.710 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.276 -16.838 -6.803 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.207 -17.783 -8.458 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.689 -18.643 -8.296 1.00 25.00 H new ATOM 322 N ASP A 22 3.775 -14.862 -10.527 1.00 25.00 N ATOM 323 CA ASP A 22 4.511 -13.680 -10.972 1.00 25.00 C ATOM 324 C ASP A 22 4.703 -13.704 -12.489 1.00 25.00 C ATOM 325 O ASP A 22 5.176 -12.738 -13.084 1.00 25.00 O ATOM 326 CB ASP A 22 5.895 -13.648 -10.306 1.00 25.00 C ATOM 327 CG ASP A 22 5.814 -13.490 -8.796 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.678 -14.066 -8.099 1.00 25.00 O ATOM 329 OD2 ASP A 22 4.892 -12.807 -8.301 1.00 25.00 O ATOM 0 H ASP A 22 4.371 -15.622 -10.200 1.00 25.00 H new ATOM 0 HA ASP A 22 3.936 -12.797 -10.693 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.430 -14.568 -10.543 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.476 -12.825 -10.723 1.00 25.00 H new ATOM 334 N GLU A 23 4.369 -14.832 -13.100 1.00 25.00 N ATOM 335 CA GLU A 23 4.536 -15.042 -14.526 1.00 25.00 C ATOM 336 C GLU A 23 3.225 -14.748 -15.262 1.00 25.00 C ATOM 337 O GLU A 23 2.137 -15.017 -14.752 1.00 25.00 O ATOM 338 CB GLU A 23 4.939 -16.500 -14.739 1.00 25.00 C ATOM 339 CG GLU A 23 5.304 -16.842 -16.154 1.00 25.00 C ATOM 340 CD GLU A 23 5.542 -18.330 -16.357 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.929 -18.711 -17.488 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.283 -19.127 -15.423 1.00 25.00 O ATOM 0 H GLU A 23 3.970 -15.634 -12.612 1.00 25.00 H new ATOM 0 HA GLU A 23 5.302 -14.373 -14.919 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.787 -16.728 -14.093 1.00 25.00 H new ATOM 0 HB3 GLU A 23 4.116 -17.141 -14.424 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.507 -16.512 -16.820 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.203 -16.293 -16.436 1.00 25.00 H new ATOM 349 N LEU A 24 3.318 -14.195 -16.461 1.00 25.00 N ATOM 350 CA LEU A 24 2.121 -13.896 -17.241 1.00 25.00 C ATOM 351 C LEU A 24 1.769 -15.008 -18.228 1.00 25.00 C ATOM 352 O LEU A 24 2.611 -15.483 -18.991 1.00 25.00 O ATOM 353 CB LEU A 24 2.301 -12.590 -18.011 1.00 25.00 C ATOM 354 CG LEU A 24 1.386 -11.437 -17.576 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.778 -10.192 -18.347 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.100 -11.747 -17.809 1.00 25.00 C ATOM 0 H LEU A 24 4.197 -13.945 -16.914 1.00 25.00 H new ATOM 0 HA LEU A 24 1.302 -13.807 -16.528 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.337 -12.267 -17.908 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.132 -12.786 -19.070 1.00 25.00 H new ATOM 0 HG LEU A 24 1.514 -11.287 -16.504 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.137 -9.363 -18.049 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.817 -9.943 -18.132 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.663 -10.374 -19.415 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.704 -10.899 -17.485 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.272 -11.930 -18.870 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.381 -12.632 -17.238 1.00 25.00 H new ATOM 368 N SER A 25 0.493 -15.362 -18.266 1.00 25.00 N ATOM 369 CA SER A 25 -0.017 -16.272 -19.291 1.00 25.00 C ATOM 370 C SER A 25 -0.424 -15.423 -20.488 1.00 25.00 C ATOM 371 O SER A 25 -0.992 -14.343 -20.317 1.00 25.00 O ATOM 372 CB SER A 25 -1.240 -17.034 -18.783 1.00 25.00 C ATOM 373 OG SER A 25 -0.908 -17.868 -17.690 1.00 25.00 O ATOM 0 H SER A 25 -0.210 -15.036 -17.602 1.00 25.00 H new ATOM 0 HA SER A 25 0.751 -16.999 -19.555 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.013 -16.327 -18.482 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.657 -17.637 -19.590 1.00 25.00 H new ATOM 0 HG SER A 25 -1.710 -18.342 -17.385 1.00 25.00 H new ATOM 379 N PHE A 26 -0.154 -15.909 -21.689 1.00 25.00 N ATOM 380 CA PHE A 26 -0.491 -15.184 -22.913 1.00 25.00 C ATOM 381 C PHE A 26 -0.511 -16.184 -24.047 1.00 25.00 C ATOM 382 O PHE A 26 -0.055 -17.309 -23.888 1.00 25.00 O ATOM 383 CB PHE A 26 0.545 -14.094 -23.205 1.00 25.00 C ATOM 384 CG PHE A 26 1.964 -14.600 -23.245 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.515 -15.112 -24.433 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.760 -14.558 -22.087 1.00 25.00 C ATOM 387 CE1 PHE A 26 3.852 -15.580 -24.469 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.082 -15.041 -22.105 1.00 25.00 C ATOM 389 CZ PHE A 26 4.631 -15.551 -23.298 1.00 25.00 C ATOM 0 H PHE A 26 0.301 -16.808 -21.847 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.461 -14.700 -22.801 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.308 -13.627 -24.161 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.467 -13.318 -22.444 1.00 25.00 H new ATOM 0 HD1 PHE A 26 1.912 -15.149 -25.328 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.353 -14.151 -21.173 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.271 -15.957 -25.390 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.676 -15.021 -21.203 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.646 -15.918 -23.313 1.00 25.00 H new ATOM 399 N ARG A 27 -1.043 -15.806 -25.201 1.00 25.00 N ATOM 400 CA ARG A 27 -1.114 -16.733 -26.331 1.00 25.00 C ATOM 401 C ARG A 27 -0.322 -16.210 -27.509 1.00 25.00 C ATOM 402 O ARG A 27 -0.081 -15.022 -27.633 1.00 25.00 O ATOM 403 CB ARG A 27 -2.579 -16.994 -26.721 1.00 25.00 C ATOM 404 CG ARG A 27 -3.431 -17.626 -25.593 1.00 25.00 C ATOM 405 CD ARG A 27 -2.889 -19.002 -25.148 1.00 25.00 C ATOM 406 NE ARG A 27 -3.673 -19.592 -24.044 1.00 25.00 N ATOM 407 CZ ARG A 27 -4.699 -20.425 -24.179 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.150 -20.809 -25.350 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.284 -20.890 -23.109 1.00 25.00 N ATOM 0 H ARG A 27 -1.428 -14.879 -25.382 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.669 -17.680 -26.027 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -3.037 -16.052 -27.023 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.601 -17.652 -27.590 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -3.452 -16.952 -24.736 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -4.459 -17.737 -25.937 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -2.897 -19.684 -25.999 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -1.851 -18.895 -24.834 1.00 25.00 H new ATOM 0 HE ARG A 27 -3.403 -19.337 -23.094 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -4.709 -20.466 -26.204 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -5.941 -21.450 -25.407 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -4.952 -20.613 -22.185 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.073 -21.530 -23.197 1.00 25.00 H new ATOM 423 N LYS A 28 0.091 -17.115 -28.375 1.00 25.00 N ATOM 424 CA LYS A 28 0.804 -16.744 -29.594 1.00 25.00 C ATOM 425 C LYS A 28 -0.095 -15.826 -30.421 1.00 25.00 C ATOM 426 O LYS A 28 -1.266 -16.118 -30.641 1.00 25.00 O ATOM 427 CB LYS A 28 1.223 -18.001 -30.382 1.00 25.00 C ATOM 428 CG LYS A 28 0.084 -18.962 -30.756 1.00 25.00 C ATOM 429 CD LYS A 28 0.610 -20.383 -31.024 1.00 25.00 C ATOM 430 CE LYS A 28 1.533 -20.467 -32.247 1.00 25.00 C ATOM 431 NZ LYS A 28 0.790 -20.187 -33.520 1.00 25.00 N ATOM 0 H LYS A 28 -0.053 -18.118 -28.261 1.00 25.00 H new ATOM 0 HA LYS A 28 1.721 -16.210 -29.346 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.722 -17.684 -31.298 1.00 25.00 H new ATOM 0 HB3 LYS A 28 1.958 -18.549 -29.792 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.649 -18.990 -29.950 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.431 -18.590 -31.642 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.150 -20.735 -30.145 1.00 25.00 H new ATOM 0 HD3 LYS A 28 -0.236 -21.055 -31.169 1.00 25.00 H new ATOM 0 HE2 LYS A 28 2.349 -19.753 -32.137 1.00 25.00 H new ATOM 0 HE3 LYS A 28 1.982 -21.459 -32.298 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 1.418 -20.352 -34.332 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -0.034 -20.818 -33.587 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.470 -19.197 -33.525 1.00 25.00 H new ATOM 445 N GLY A 29 0.459 -14.698 -30.837 1.00 25.00 N ATOM 446 CA GLY A 29 -0.292 -13.699 -31.586 1.00 25.00 C ATOM 447 C GLY A 29 -0.853 -12.577 -30.727 1.00 25.00 C ATOM 448 O GLY A 29 -1.333 -11.589 -31.264 1.00 25.00 O ATOM 0 H GLY A 29 1.434 -14.449 -30.668 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.356 -13.269 -32.350 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.114 -14.191 -32.106 1.00 25.00 H new ATOM 452 N ASP A 30 -0.771 -12.710 -29.409 1.00 25.00 N ATOM 453 CA ASP A 30 -1.255 -11.685 -28.477 1.00 25.00 C ATOM 454 C ASP A 30 -0.238 -10.544 -28.424 1.00 25.00 C ATOM 455 O ASP A 30 0.912 -10.733 -28.820 1.00 25.00 O ATOM 456 CB ASP A 30 -1.418 -12.312 -27.087 1.00 25.00 C ATOM 457 CG ASP A 30 -2.303 -11.503 -26.168 1.00 25.00 C ATOM 458 OD1 ASP A 30 -2.495 -11.958 -25.018 1.00 25.00 O ATOM 459 OD2 ASP A 30 -2.858 -10.468 -26.593 1.00 25.00 O ATOM 0 H ASP A 30 -0.369 -13.528 -28.951 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.217 -11.294 -28.808 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.836 -13.313 -27.194 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.435 -12.424 -26.629 1.00 25.00 H new ATOM 464 N ILE A 31 -0.635 -9.371 -27.956 1.00 25.00 N ATOM 465 CA ILE A 31 0.252 -8.209 -27.885 1.00 25.00 C ATOM 466 C ILE A 31 0.201 -7.654 -26.472 1.00 25.00 C ATOM 467 O ILE A 31 -0.866 -7.500 -25.893 1.00 25.00 O ATOM 468 CB ILE A 31 -0.150 -7.101 -28.923 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.143 -7.574 -30.356 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.664 -5.796 -28.698 1.00 25.00 C ATOM 471 CD1 ILE A 31 -1.011 -8.229 -31.068 1.00 25.00 C ATOM 0 H ILE A 31 -1.579 -9.193 -27.614 1.00 25.00 H new ATOM 0 HA ILE A 31 1.266 -8.522 -28.135 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.214 -6.911 -28.784 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.471 -6.717 -30.944 1.00 25.00 H new ATOM 0 HG13 ILE A 31 0.975 -8.277 -30.326 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.363 -5.048 -29.432 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.473 -5.417 -27.694 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.728 -6.007 -28.810 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.700 -8.525 -32.070 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.329 -9.111 -30.511 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.841 -7.526 -31.139 1.00 25.00 H new ATOM 483 N MET A 32 1.372 -7.362 -25.928 1.00 25.00 N ATOM 484 CA MET A 32 1.483 -6.875 -24.565 1.00 25.00 C ATOM 485 C MET A 32 2.449 -5.707 -24.492 1.00 25.00 C ATOM 486 O MET A 32 3.367 -5.585 -25.317 1.00 25.00 O ATOM 487 CB MET A 32 1.959 -8.015 -23.677 1.00 25.00 C ATOM 488 CG MET A 32 3.333 -8.560 -24.058 1.00 25.00 C ATOM 489 SD MET A 32 3.625 -10.165 -23.313 1.00 25.00 S ATOM 490 CE MET A 32 2.669 -11.226 -24.416 1.00 25.00 C ATOM 0 H MET A 32 2.264 -7.455 -26.415 1.00 25.00 H new ATOM 0 HA MET A 32 0.510 -6.524 -24.223 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.989 -7.670 -22.644 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.232 -8.826 -23.721 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.407 -8.641 -25.142 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.106 -7.861 -23.737 1.00 25.00 H new ATOM 0 HE1 MET A 32 3.233 -12.135 -24.626 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.724 -11.487 -23.940 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.472 -10.698 -25.349 1.00 25.00 H new ATOM 500 N THR A 33 2.236 -4.848 -23.511 1.00 25.00 N ATOM 501 CA THR A 33 3.093 -3.687 -23.314 1.00 25.00 C ATOM 502 C THR A 33 4.236 -4.096 -22.404 1.00 25.00 C ATOM 503 O THR A 33 4.005 -4.695 -21.362 1.00 25.00 O ATOM 504 CB THR A 33 2.311 -2.524 -22.662 1.00 25.00 C ATOM 505 OG1 THR A 33 1.143 -2.246 -23.443 1.00 25.00 O ATOM 506 CG2 THR A 33 3.148 -1.257 -22.603 1.00 25.00 C ATOM 0 H THR A 33 1.476 -4.931 -22.836 1.00 25.00 H new ATOM 0 HA THR A 33 3.465 -3.344 -24.280 1.00 25.00 H new ATOM 0 HB THR A 33 2.047 -2.825 -21.648 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.643 -1.510 -23.033 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.568 -0.459 -22.139 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.047 -1.442 -22.015 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.430 -0.960 -23.613 1.00 25.00 H new ATOM 514 N VAL A 34 5.458 -3.761 -22.785 1.00 25.00 N ATOM 515 CA VAL A 34 6.635 -4.032 -21.960 1.00 25.00 C ATOM 516 C VAL A 34 6.843 -2.807 -21.075 1.00 25.00 C ATOM 517 O VAL A 34 6.984 -1.680 -21.564 1.00 25.00 O ATOM 518 CB VAL A 34 7.904 -4.298 -22.830 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.150 -4.454 -21.950 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.717 -5.569 -23.677 1.00 25.00 C ATOM 0 H VAL A 34 5.667 -3.296 -23.669 1.00 25.00 H new ATOM 0 HA VAL A 34 6.476 -4.931 -21.365 1.00 25.00 H new ATOM 0 HB VAL A 34 8.042 -3.440 -23.488 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.020 -4.638 -22.580 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.306 -3.541 -21.375 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.011 -5.293 -21.268 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.610 -5.741 -24.278 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.552 -6.423 -23.020 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.856 -5.445 -24.334 1.00 25.00 H new ATOM 530 N LEU A 35 6.805 -3.032 -19.769 1.00 25.00 N ATOM 531 CA LEU A 35 6.939 -1.956 -18.794 1.00 25.00 C ATOM 532 C LEU A 35 8.396 -1.795 -18.392 1.00 25.00 C ATOM 533 O LEU A 35 8.894 -0.679 -18.269 1.00 25.00 O ATOM 534 CB LEU A 35 6.108 -2.265 -17.544 1.00 25.00 C ATOM 535 CG LEU A 35 4.599 -2.506 -17.739 1.00 25.00 C ATOM 536 CD1 LEU A 35 3.981 -2.817 -16.380 1.00 25.00 C ATOM 537 CD2 LEU A 35 3.899 -1.297 -18.361 1.00 25.00 C ATOM 0 H LEU A 35 6.682 -3.957 -19.357 1.00 25.00 H new ATOM 0 HA LEU A 35 6.580 -1.033 -19.250 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.532 -3.149 -17.068 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.230 -1.437 -16.845 1.00 25.00 H new ATOM 0 HG LEU A 35 4.468 -3.342 -18.426 1.00 25.00 H new ATOM 0 HD11 LEU A 35 2.911 -2.991 -16.498 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.450 -3.708 -15.963 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.140 -1.975 -15.707 1.00 25.00 H new ATOM 0 HD21 LEU A 35 2.837 -1.513 -18.480 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.023 -0.431 -17.711 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.337 -1.085 -19.336 1.00 25.00 H new ATOM 549 N GLU A 36 9.061 -2.924 -18.186 1.00 25.00 N ATOM 550 CA GLU A 36 10.464 -2.960 -17.765 1.00 25.00 C ATOM 551 C GLU A 36 11.121 -4.211 -18.336 1.00 25.00 C ATOM 552 O GLU A 36 10.419 -5.114 -18.796 1.00 25.00 O ATOM 553 CB GLU A 36 10.570 -2.980 -16.236 1.00 25.00 C ATOM 554 CG GLU A 36 11.271 -1.752 -15.667 1.00 25.00 C ATOM 555 CD GLU A 36 12.769 -1.732 -15.961 1.00 25.00 C ATOM 556 OE1 GLU A 36 13.160 -1.726 -17.154 1.00 25.00 O ATOM 557 OE2 GLU A 36 13.554 -1.700 -14.996 1.00 25.00 O ATOM 0 H GLU A 36 8.645 -3.847 -18.306 1.00 25.00 H new ATOM 0 HA GLU A 36 10.968 -2.067 -18.135 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.569 -3.049 -15.810 1.00 25.00 H new ATOM 0 HB3 GLU A 36 11.111 -3.875 -15.927 1.00 25.00 H new ATOM 0 HG2 GLU A 36 10.813 -0.854 -16.081 1.00 25.00 H new ATOM 0 HG3 GLU A 36 11.117 -1.720 -14.588 1.00 25.00 H new ATOM 564 N ARG A 37 12.447 -4.287 -18.305 1.00 25.00 N ATOM 565 CA ARG A 37 13.171 -5.461 -18.806 1.00 25.00 C ATOM 566 C ARG A 37 14.229 -5.886 -17.813 1.00 25.00 C ATOM 567 O ARG A 37 14.717 -5.068 -17.057 1.00 25.00 O ATOM 568 CB ARG A 37 13.854 -5.148 -20.131 1.00 25.00 C ATOM 569 CG ARG A 37 12.906 -4.693 -21.221 1.00 25.00 C ATOM 570 CD ARG A 37 13.534 -4.844 -22.583 1.00 25.00 C ATOM 571 NE ARG A 37 14.884 -4.261 -22.618 1.00 25.00 N ATOM 572 CZ ARG A 37 15.737 -4.364 -23.632 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.431 -4.994 -24.743 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.918 -3.826 -23.517 1.00 25.00 N ATOM 0 H ARG A 37 13.048 -3.550 -17.938 1.00 25.00 H new ATOM 0 HA ARG A 37 12.446 -6.263 -18.948 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.602 -4.373 -19.968 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.385 -6.036 -20.473 1.00 25.00 H new ATOM 0 HG2 ARG A 37 11.986 -5.276 -21.174 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.631 -3.651 -21.057 1.00 25.00 H new ATOM 0 HD2 ARG A 37 13.585 -5.900 -22.847 1.00 25.00 H new ATOM 0 HD3 ARG A 37 12.907 -4.359 -23.331 1.00 25.00 H new ATOM 0 HE ARG A 37 15.190 -3.736 -21.799 1.00 25.00 H new ATOM 0 HH11 ARG A 37 14.512 -5.425 -24.849 1.00 25.00 H new ATOM 0 HH12 ARG A 37 16.112 -5.053 -25.500 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.174 -3.336 -22.660 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.587 -3.894 -24.284 1.00 25.00 H new ATOM 588 N ASP A 38 14.552 -7.177 -17.837 1.00 25.00 N ATOM 589 CA ASP A 38 15.579 -7.778 -16.978 1.00 25.00 C ATOM 590 C ASP A 38 15.196 -7.495 -15.525 1.00 25.00 C ATOM 591 O ASP A 38 16.019 -7.216 -14.661 1.00 25.00 O ATOM 592 CB ASP A 38 16.957 -7.257 -17.396 1.00 25.00 C ATOM 593 CG ASP A 38 17.166 -7.364 -18.912 1.00 25.00 C ATOM 594 OD1 ASP A 38 16.862 -8.441 -19.486 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.498 -6.337 -19.552 1.00 25.00 O ATOM 0 H ASP A 38 14.104 -7.848 -18.461 1.00 25.00 H new ATOM 0 HA ASP A 38 15.637 -8.861 -17.085 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.063 -6.217 -17.086 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.732 -7.824 -16.880 1.00 25.00 H new ATOM 600 N THR A 39 13.886 -7.534 -15.313 1.00 25.00 N ATOM 601 CA THR A 39 13.227 -7.035 -14.098 1.00 25.00 C ATOM 602 C THR A 39 13.463 -7.858 -12.832 1.00 25.00 C ATOM 603 O THR A 39 13.090 -7.450 -11.738 1.00 25.00 O ATOM 604 CB THR A 39 11.693 -6.938 -14.369 1.00 25.00 C ATOM 605 OG1 THR A 39 11.016 -6.409 -13.226 1.00 25.00 O ATOM 606 CG2 THR A 39 11.095 -8.320 -14.701 1.00 25.00 C ATOM 0 H THR A 39 13.232 -7.921 -15.993 1.00 25.00 H new ATOM 0 HA THR A 39 13.679 -6.064 -13.893 1.00 25.00 H new ATOM 0 HB THR A 39 11.556 -6.275 -15.223 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.574 -6.532 -12.430 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.025 -8.219 -14.885 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.580 -8.722 -15.591 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.257 -8.997 -13.863 1.00 25.00 H new ATOM 614 N GLN A 40 14.107 -9.003 -12.980 1.00 25.00 N ATOM 615 CA GLN A 40 14.442 -9.859 -11.842 1.00 25.00 C ATOM 616 C GLN A 40 15.934 -10.166 -11.873 1.00 25.00 C ATOM 617 O GLN A 40 16.406 -11.082 -11.211 1.00 25.00 O ATOM 618 CB GLN A 40 13.634 -11.151 -11.930 1.00 25.00 C ATOM 619 CG GLN A 40 12.175 -10.999 -11.510 1.00 25.00 C ATOM 620 CD GLN A 40 11.442 -12.324 -11.539 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.703 -13.157 -12.381 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.524 -12.516 -10.629 1.00 25.00 N ATOM 0 H GLN A 40 14.413 -9.368 -13.882 1.00 25.00 H new ATOM 0 HA GLN A 40 14.201 -9.353 -10.907 1.00 25.00 H new ATOM 0 HB2 GLN A 40 13.670 -11.521 -12.955 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.106 -11.906 -11.301 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.128 -10.579 -10.505 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.677 -10.293 -12.174 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.333 -11.792 -9.937 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.999 -13.390 -10.611 1.00 25.00 H new ATOM 631 N GLY A 41 16.667 -9.440 -12.707 1.00 25.00 N ATOM 632 CA GLY A 41 18.084 -9.717 -12.896 1.00 25.00 C ATOM 633 C GLY A 41 18.282 -10.858 -13.880 1.00 25.00 C ATOM 634 O GLY A 41 19.402 -11.178 -14.262 1.00 25.00 O ATOM 0 H GLY A 41 16.307 -8.661 -13.259 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.589 -8.823 -13.262 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.541 -9.972 -11.940 1.00 25.00 H new ATOM 638 N LEU A 42 17.180 -11.469 -14.292 1.00 25.00 N ATOM 639 CA LEU A 42 17.211 -12.555 -15.259 1.00 25.00 C ATOM 640 C LEU A 42 17.296 -11.952 -16.653 1.00 25.00 C ATOM 641 O LEU A 42 16.424 -11.180 -17.059 1.00 25.00 O ATOM 642 CB LEU A 42 15.949 -13.422 -15.149 1.00 25.00 C ATOM 643 CG LEU A 42 15.725 -14.190 -13.835 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.346 -14.851 -13.867 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.804 -15.254 -13.620 1.00 25.00 C ATOM 0 H LEU A 42 16.244 -11.227 -13.967 1.00 25.00 H new ATOM 0 HA LEU A 42 18.075 -13.189 -15.062 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.084 -12.779 -15.314 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.967 -14.147 -15.963 1.00 25.00 H new ATOM 0 HG LEU A 42 15.782 -13.483 -13.008 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.182 -15.397 -12.938 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.578 -14.085 -13.978 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.293 -15.543 -14.708 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.616 -15.778 -12.683 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.782 -15.966 -14.445 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.783 -14.776 -13.579 1.00 25.00 H new ATOM 657 N ASP A 43 18.349 -12.306 -17.367 1.00 25.00 N ATOM 658 CA ASP A 43 18.587 -11.784 -18.708 1.00 25.00 C ATOM 659 C ASP A 43 17.448 -12.195 -19.636 1.00 25.00 C ATOM 660 O ASP A 43 17.085 -13.373 -19.728 1.00 25.00 O ATOM 661 CB ASP A 43 19.922 -12.328 -19.237 1.00 25.00 C ATOM 662 CG ASP A 43 20.316 -11.731 -20.589 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.701 -10.733 -21.027 1.00 25.00 O ATOM 664 OD2 ASP A 43 21.261 -12.266 -21.209 1.00 25.00 O ATOM 0 H ASP A 43 19.061 -12.959 -17.040 1.00 25.00 H new ATOM 0 HA ASP A 43 18.632 -10.696 -18.671 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.707 -12.118 -18.511 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.855 -13.412 -19.330 1.00 25.00 H new ATOM 669 N GLY A 44 16.871 -11.216 -20.310 1.00 25.00 N ATOM 670 CA GLY A 44 15.838 -11.479 -21.290 1.00 25.00 C ATOM 671 C GLY A 44 14.438 -11.639 -20.742 1.00 25.00 C ATOM 672 O GLY A 44 13.523 -11.880 -21.516 1.00 25.00 O ATOM 0 H GLY A 44 17.103 -10.229 -20.194 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.834 -10.664 -22.014 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.101 -12.386 -21.833 1.00 25.00 H new ATOM 676 N TRP A 45 14.232 -11.504 -19.441 1.00 25.00 N ATOM 677 CA TRP A 45 12.880 -11.618 -18.873 1.00 25.00 C ATOM 678 C TRP A 45 12.296 -10.238 -18.651 1.00 25.00 C ATOM 679 O TRP A 45 12.871 -9.418 -17.948 1.00 25.00 O ATOM 680 CB TRP A 45 12.918 -12.392 -17.565 1.00 25.00 C ATOM 681 CG TRP A 45 13.038 -13.859 -17.795 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.163 -14.563 -18.064 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.972 -14.826 -17.787 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.899 -15.890 -18.218 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.558 -16.098 -18.050 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.581 -14.748 -17.581 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.795 -17.285 -18.099 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.810 -15.940 -17.615 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.429 -17.197 -17.878 1.00 25.00 C ATOM 0 H TRP A 45 14.967 -11.318 -18.759 1.00 25.00 H new ATOM 0 HA TRP A 45 12.248 -12.161 -19.576 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.759 -12.048 -16.963 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.013 -12.186 -16.994 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.147 -14.126 -18.146 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.589 -16.612 -18.425 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.107 -13.795 -17.400 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.263 -18.237 -18.303 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.745 -15.894 -17.440 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.826 -18.093 -17.905 1.00 25.00 H new ATOM 700 N TRP A 46 11.188 -9.947 -19.309 1.00 25.00 N ATOM 701 CA TRP A 46 10.636 -8.600 -19.299 1.00 25.00 C ATOM 702 C TRP A 46 9.347 -8.539 -18.504 1.00 25.00 C ATOM 703 O TRP A 46 8.542 -9.465 -18.547 1.00 25.00 O ATOM 704 CB TRP A 46 10.389 -8.138 -20.741 1.00 25.00 C ATOM 705 CG TRP A 46 11.610 -8.248 -21.640 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.914 -8.405 -21.270 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.630 -8.235 -23.078 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.738 -8.500 -22.345 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.990 -8.400 -23.484 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.636 -8.111 -24.066 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.372 -8.445 -24.842 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.013 -8.172 -25.434 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.382 -8.340 -25.803 1.00 25.00 C ATOM 0 H TRP A 46 10.653 -10.621 -19.856 1.00 25.00 H new ATOM 0 HA TRP A 46 11.355 -7.936 -18.819 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.580 -8.731 -21.169 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.052 -7.102 -20.728 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.250 -8.448 -20.245 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.750 -8.625 -22.308 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.602 -7.972 -23.788 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.409 -8.558 -25.123 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.258 -8.091 -26.202 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.649 -8.386 -26.848 1.00 25.00 H new ATOM 724 N LEU A 47 9.138 -7.434 -17.803 1.00 25.00 N ATOM 725 CA LEU A 47 7.891 -7.208 -17.093 1.00 25.00 C ATOM 726 C LEU A 47 6.917 -6.695 -18.133 1.00 25.00 C ATOM 727 O LEU A 47 7.094 -5.595 -18.667 1.00 25.00 O ATOM 728 CB LEU A 47 8.063 -6.155 -15.990 1.00 25.00 C ATOM 729 CG LEU A 47 6.785 -5.798 -15.209 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.228 -7.001 -14.441 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.082 -4.659 -14.238 1.00 25.00 C ATOM 0 H LEU A 47 9.818 -6.680 -17.712 1.00 25.00 H new ATOM 0 HA LEU A 47 7.546 -8.123 -16.612 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.811 -6.513 -15.283 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.459 -5.245 -16.440 1.00 25.00 H new ATOM 0 HG LEU A 47 6.029 -5.488 -15.930 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.327 -6.704 -13.904 1.00 25.00 H new ATOM 0 HD12 LEU A 47 5.987 -7.800 -15.142 1.00 25.00 H new ATOM 0 HD13 LEU A 47 6.974 -7.356 -13.730 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.177 -4.407 -13.685 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.859 -4.970 -13.539 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.423 -3.786 -14.795 1.00 25.00 H new ATOM 743 N CYS A 48 5.919 -7.496 -18.451 1.00 25.00 N ATOM 744 CA CYS A 48 4.937 -7.128 -19.450 1.00 25.00 C ATOM 745 C CYS A 48 3.585 -6.992 -18.780 1.00 25.00 C ATOM 746 O CYS A 48 3.406 -7.457 -17.661 1.00 25.00 O ATOM 747 CB CYS A 48 4.894 -8.192 -20.536 1.00 25.00 C ATOM 748 SG CYS A 48 6.498 -8.412 -21.331 1.00 25.00 S ATOM 0 H CYS A 48 5.767 -8.412 -18.028 1.00 25.00 H new ATOM 0 HA CYS A 48 5.204 -6.177 -19.910 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.571 -9.139 -20.103 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.153 -7.915 -21.286 1.00 25.00 H new ATOM 0 HG CYS A 48 7.371 -8.797 -20.448 1.00 25.00 H new ATOM 754 N SER A 49 2.639 -6.357 -19.454 1.00 25.00 N ATOM 755 CA SER A 49 1.300 -6.172 -18.906 1.00 25.00 C ATOM 756 C SER A 49 0.228 -6.378 -19.960 1.00 25.00 C ATOM 757 O SER A 49 0.309 -5.819 -21.066 1.00 25.00 O ATOM 758 CB SER A 49 1.180 -4.770 -18.309 1.00 25.00 C ATOM 759 OG SER A 49 -0.086 -4.579 -17.696 1.00 25.00 O ATOM 0 H SER A 49 2.772 -5.959 -20.384 1.00 25.00 H new ATOM 0 HA SER A 49 1.148 -6.921 -18.129 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.970 -4.616 -17.574 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.324 -4.025 -19.092 1.00 25.00 H new ATOM 0 HG SER A 49 -0.423 -5.438 -17.367 1.00 25.00 H new ATOM 765 N LEU A 50 -0.765 -7.190 -19.616 1.00 25.00 N ATOM 766 CA LEU A 50 -1.917 -7.455 -20.467 1.00 25.00 C ATOM 767 C LEU A 50 -3.093 -7.934 -19.608 1.00 25.00 C ATOM 768 O LEU A 50 -2.894 -8.510 -18.541 1.00 25.00 O ATOM 769 CB LEU A 50 -1.579 -8.519 -21.515 1.00 25.00 C ATOM 770 CG LEU A 50 -1.202 -9.924 -21.009 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.325 -10.923 -21.263 1.00 25.00 C ATOM 772 CD2 LEU A 50 0.051 -10.402 -21.696 1.00 25.00 C ATOM 0 H LEU A 50 -0.792 -7.689 -18.727 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.190 -6.533 -20.981 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -2.437 -8.620 -22.180 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.751 -8.146 -22.118 1.00 25.00 H new ATOM 0 HG LEU A 50 -1.033 -9.856 -19.934 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.028 -11.905 -20.895 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -3.226 -10.597 -20.743 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -2.525 -10.982 -22.333 1.00 25.00 H new ATOM 0 HD21 LEU A 50 0.309 -11.396 -21.331 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.117 -10.443 -22.772 1.00 25.00 H new ATOM 0 HD23 LEU A 50 0.868 -9.713 -21.482 1.00 25.00 H new ATOM 784 N HIS A 51 -4.313 -7.680 -20.074 1.00 25.00 N ATOM 785 CA HIS A 51 -5.546 -8.114 -19.385 1.00 25.00 C ATOM 786 C HIS A 51 -5.609 -7.678 -17.903 1.00 25.00 C ATOM 787 O HIS A 51 -6.093 -8.410 -17.043 1.00 25.00 O ATOM 788 CB HIS A 51 -5.708 -9.639 -19.512 1.00 25.00 C ATOM 789 CG HIS A 51 -7.122 -10.114 -19.369 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.996 -10.289 -20.411 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.831 -10.458 -18.257 1.00 25.00 C ATOM 792 CE1 HIS A 51 -9.153 -10.723 -19.915 1.00 25.00 C ATOM 793 NE2 HIS A 51 -9.105 -10.856 -18.605 1.00 25.00 N ATOM 0 H HIS A 51 -4.485 -7.168 -20.939 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.378 -7.612 -19.880 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -5.325 -9.955 -20.482 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -5.094 -10.124 -18.753 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.450 -10.424 -17.247 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -10.025 -10.940 -20.514 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.847 -11.182 -17.985 1.00 25.00 H new ATOM 801 N GLY A 52 -5.101 -6.490 -17.607 1.00 25.00 N ATOM 802 CA GLY A 52 -5.149 -5.976 -16.244 1.00 25.00 C ATOM 803 C GLY A 52 -4.180 -6.633 -15.280 1.00 25.00 C ATOM 804 O GLY A 52 -4.221 -6.368 -14.084 1.00 25.00 O ATOM 0 H GLY A 52 -4.656 -5.869 -18.283 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.946 -4.905 -16.267 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.161 -6.100 -15.860 1.00 25.00 H new ATOM 808 N ARG A 53 -3.301 -7.484 -15.793 1.00 25.00 N ATOM 809 CA ARG A 53 -2.290 -8.150 -14.979 1.00 25.00 C ATOM 810 C ARG A 53 -0.947 -7.765 -15.539 1.00 25.00 C ATOM 811 O ARG A 53 -0.835 -7.467 -16.719 1.00 25.00 O ATOM 812 CB ARG A 53 -2.440 -9.672 -15.059 1.00 25.00 C ATOM 813 CG ARG A 53 -3.736 -10.205 -14.482 1.00 25.00 C ATOM 814 CD ARG A 53 -3.733 -11.727 -14.535 1.00 25.00 C ATOM 815 NE ARG A 53 -4.989 -12.302 -14.024 1.00 25.00 N ATOM 816 CZ ARG A 53 -6.073 -12.546 -14.750 1.00 25.00 C ATOM 817 NH1 ARG A 53 -6.142 -12.272 -16.031 1.00 25.00 N ATOM 818 NH2 ARG A 53 -7.112 -13.078 -14.174 1.00 25.00 N ATOM 0 H ARG A 53 -3.268 -7.732 -16.782 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.398 -7.851 -13.936 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.369 -9.977 -16.103 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.605 -10.135 -14.533 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.853 -9.867 -13.452 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.584 -9.813 -15.044 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.578 -12.053 -15.563 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.896 -12.108 -13.950 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.029 -12.531 -13.031 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -5.342 -11.855 -16.507 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -6.995 -12.476 -16.551 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -7.085 -13.301 -13.179 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -7.953 -13.272 -14.718 1.00 25.00 H new ATOM 832 N GLN A 54 0.081 -7.844 -14.720 1.00 25.00 N ATOM 833 CA GLN A 54 1.437 -7.645 -15.187 1.00 25.00 C ATOM 834 C GLN A 54 2.248 -8.761 -14.578 1.00 25.00 C ATOM 835 O GLN A 54 1.936 -9.218 -13.484 1.00 25.00 O ATOM 836 CB GLN A 54 1.974 -6.254 -14.806 1.00 25.00 C ATOM 837 CG GLN A 54 2.063 -5.982 -13.307 1.00 25.00 C ATOM 838 CD GLN A 54 2.603 -4.601 -13.008 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.104 -3.604 -13.502 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.631 -4.537 -12.199 1.00 25.00 N ATOM 0 H GLN A 54 0.002 -8.046 -13.723 1.00 25.00 H new ATOM 0 HA GLN A 54 1.493 -7.674 -16.275 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.966 -6.133 -15.241 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.333 -5.498 -15.259 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.074 -6.088 -12.861 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.705 -6.730 -12.841 1.00 25.00 H new ATOM 0 HE21 GLN A 54 4.023 -5.392 -11.804 1.00 25.00 H new ATOM 0 HE22 GLN A 54 4.040 -3.632 -11.964 1.00 25.00 H new ATOM 849 N GLY A 55 3.236 -9.229 -15.312 1.00 25.00 N ATOM 850 CA GLY A 55 4.052 -10.335 -14.851 1.00 25.00 C ATOM 851 C GLY A 55 5.247 -10.531 -15.754 1.00 25.00 C ATOM 852 O GLY A 55 5.364 -9.861 -16.788 1.00 25.00 O ATOM 0 H GLY A 55 3.494 -8.862 -16.228 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.388 -10.145 -13.832 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.456 -11.247 -14.826 1.00 25.00 H new ATOM 856 N ILE A 56 6.155 -11.411 -15.362 1.00 25.00 N ATOM 857 CA ILE A 56 7.362 -11.668 -16.138 1.00 25.00 C ATOM 858 C ILE A 56 7.037 -12.531 -17.352 1.00 25.00 C ATOM 859 O ILE A 56 6.149 -13.387 -17.318 1.00 25.00 O ATOM 860 CB ILE A 56 8.489 -12.329 -15.273 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.097 -13.759 -14.834 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.789 -11.441 -14.046 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.196 -14.538 -14.114 1.00 25.00 C ATOM 0 H ILE A 56 6.080 -11.962 -14.507 1.00 25.00 H new ATOM 0 HA ILE A 56 7.744 -10.706 -16.479 1.00 25.00 H new ATOM 0 HB ILE A 56 9.389 -12.413 -15.882 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.228 -13.696 -14.179 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.791 -14.322 -15.716 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.573 -11.903 -13.446 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.120 -10.458 -14.381 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.886 -11.335 -13.444 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.825 -15.528 -13.847 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.060 -14.639 -14.771 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.488 -14.004 -13.210 1.00 25.00 H new ATOM 875 N VAL A 57 7.728 -12.245 -18.444 1.00 25.00 N ATOM 876 CA VAL A 57 7.546 -12.943 -19.713 1.00 25.00 C ATOM 877 C VAL A 57 8.923 -13.106 -20.352 1.00 25.00 C ATOM 878 O VAL A 57 9.689 -12.135 -20.419 1.00 25.00 O ATOM 879 CB VAL A 57 6.648 -12.104 -20.679 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.614 -12.724 -22.071 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.227 -11.985 -20.128 1.00 25.00 C ATOM 0 H VAL A 57 8.439 -11.515 -18.478 1.00 25.00 H new ATOM 0 HA VAL A 57 7.067 -13.906 -19.536 1.00 25.00 H new ATOM 0 HB VAL A 57 7.083 -11.107 -20.754 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.982 -12.120 -22.723 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.625 -12.761 -22.478 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.211 -13.735 -22.009 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.618 -11.397 -20.815 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.794 -12.980 -20.020 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.254 -11.493 -19.156 1.00 25.00 H new ATOM 891 N PRO A 58 9.262 -14.310 -20.853 1.00 25.00 N ATOM 892 CA PRO A 58 10.558 -14.352 -21.543 1.00 25.00 C ATOM 893 C PRO A 58 10.498 -13.585 -22.875 1.00 25.00 C ATOM 894 O PRO A 58 9.720 -13.911 -23.780 1.00 25.00 O ATOM 895 CB PRO A 58 10.792 -15.852 -21.742 1.00 25.00 C ATOM 896 CG PRO A 58 9.423 -16.430 -21.828 1.00 25.00 C ATOM 897 CD PRO A 58 8.576 -15.619 -20.889 1.00 25.00 C ATOM 0 HA PRO A 58 11.367 -13.876 -20.989 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.364 -16.048 -22.649 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.353 -16.281 -20.912 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.039 -16.376 -22.847 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.424 -17.482 -21.544 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.552 -15.526 -21.250 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.525 -16.073 -19.900 1.00 25.00 H new ATOM 905 N GLY A 59 11.323 -12.554 -22.982 1.00 25.00 N ATOM 906 CA GLY A 59 11.323 -11.666 -24.136 1.00 25.00 C ATOM 907 C GLY A 59 11.759 -12.332 -25.415 1.00 25.00 C ATOM 908 O GLY A 59 11.459 -11.863 -26.504 1.00 25.00 O ATOM 0 H GLY A 59 12.012 -12.309 -22.271 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.320 -11.261 -24.271 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.982 -10.822 -23.933 1.00 25.00 H new ATOM 912 N ASN A 60 12.421 -13.471 -25.289 1.00 25.00 N ATOM 913 CA ASN A 60 12.813 -14.264 -26.454 1.00 25.00 C ATOM 914 C ASN A 60 11.581 -14.736 -27.233 1.00 25.00 C ATOM 915 O ASN A 60 11.627 -14.888 -28.448 1.00 25.00 O ATOM 916 CB ASN A 60 13.634 -15.471 -25.995 1.00 25.00 C ATOM 917 CG ASN A 60 14.105 -16.322 -27.147 1.00 25.00 C ATOM 918 OD1 ASN A 60 13.461 -17.287 -27.511 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.233 -15.978 -27.714 1.00 25.00 N ATOM 0 H ASN A 60 12.700 -13.871 -24.393 1.00 25.00 H new ATOM 0 HA ASN A 60 13.415 -13.640 -27.115 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.497 -15.124 -25.427 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.032 -16.080 -25.320 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.601 -16.527 -28.491 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.744 -15.161 -27.379 1.00 25.00 H new ATOM 926 N ARG A 61 10.463 -14.912 -26.538 1.00 25.00 N ATOM 927 CA ARG A 61 9.217 -15.337 -27.184 1.00 25.00 C ATOM 928 C ARG A 61 8.409 -14.154 -27.704 1.00 25.00 C ATOM 929 O ARG A 61 7.266 -14.328 -28.128 1.00 25.00 O ATOM 930 CB ARG A 61 8.346 -16.128 -26.198 1.00 25.00 C ATOM 931 CG ARG A 61 8.980 -17.410 -25.672 1.00 25.00 C ATOM 932 CD ARG A 61 7.930 -18.225 -24.912 1.00 25.00 C ATOM 933 NE ARG A 61 8.510 -19.360 -24.176 1.00 25.00 N ATOM 934 CZ ARG A 61 7.812 -20.255 -23.485 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.505 -20.239 -23.444 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.439 -21.182 -22.817 1.00 25.00 N ATOM 0 H ARG A 61 10.389 -14.769 -25.531 1.00 25.00 H new ATOM 0 HA ARG A 61 9.499 -15.965 -28.029 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.104 -15.485 -25.352 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.405 -16.379 -26.687 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.381 -17.996 -26.499 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.816 -17.172 -25.015 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.408 -17.573 -24.212 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.186 -18.597 -25.616 1.00 25.00 H new ATOM 0 HE ARG A 61 9.524 -19.468 -24.198 1.00 25.00 H new ATOM 0 HH11 ARG A 61 5.988 -19.523 -23.954 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.003 -20.943 -22.903 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.458 -21.217 -22.827 1.00 25.00 H new ATOM 0 HH22 ARG A 61 7.910 -21.873 -22.284 1.00 25.00 H new ATOM 950 N LEU A 62 8.974 -12.957 -27.648 1.00 25.00 N ATOM 951 CA LEU A 62 8.262 -11.745 -28.061 1.00 25.00 C ATOM 952 C LEU A 62 8.973 -11.060 -29.221 1.00 25.00 C ATOM 953 O LEU A 62 10.195 -11.076 -29.313 1.00 25.00 O ATOM 954 CB LEU A 62 8.174 -10.756 -26.890 1.00 25.00 C ATOM 955 CG LEU A 62 7.476 -11.215 -25.597 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.488 -10.067 -24.588 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.046 -11.655 -25.855 1.00 25.00 C ATOM 0 H LEU A 62 9.926 -12.793 -27.320 1.00 25.00 H new ATOM 0 HA LEU A 62 7.262 -12.043 -28.377 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.190 -10.456 -26.631 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.660 -9.864 -27.247 1.00 25.00 H new ATOM 0 HG LEU A 62 8.019 -12.073 -25.202 1.00 25.00 H new ATOM 0 HD11 LEU A 62 6.995 -10.385 -23.669 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.518 -9.786 -24.369 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.959 -9.210 -25.006 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.588 -11.971 -24.918 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.479 -10.823 -26.273 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.043 -12.487 -26.559 1.00 25.00 H new ATOM 969 N LYS A 63 8.206 -10.415 -30.090 1.00 25.00 N ATOM 970 CA LYS A 63 8.776 -9.655 -31.200 1.00 25.00 C ATOM 971 C LYS A 63 8.422 -8.184 -31.014 1.00 25.00 C ATOM 972 O LYS A 63 7.249 -7.815 -31.051 1.00 25.00 O ATOM 973 CB LYS A 63 8.224 -10.202 -32.530 1.00 25.00 C ATOM 974 CG LYS A 63 9.150 -10.018 -33.750 1.00 25.00 C ATOM 975 CD LYS A 63 9.334 -8.551 -34.108 1.00 25.00 C ATOM 976 CE LYS A 63 10.146 -8.349 -35.371 1.00 25.00 C ATOM 977 NZ LYS A 63 10.364 -6.869 -35.578 1.00 25.00 N ATOM 0 H LYS A 63 7.187 -10.402 -30.050 1.00 25.00 H new ATOM 0 HA LYS A 63 9.861 -9.754 -31.220 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.016 -11.265 -32.409 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.273 -9.713 -32.739 1.00 25.00 H new ATOM 0 HG2 LYS A 63 10.122 -10.464 -33.539 1.00 25.00 H new ATOM 0 HG3 LYS A 63 8.734 -10.551 -34.605 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.355 -8.087 -34.233 1.00 25.00 H new ATOM 0 HD3 LYS A 63 9.825 -8.039 -33.281 1.00 25.00 H new ATOM 0 HE2 LYS A 63 11.103 -8.864 -35.291 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.625 -8.777 -36.227 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 9.907 -6.571 -36.464 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 9.951 -6.343 -34.782 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 11.384 -6.672 -35.632 1.00 25.00 H new ATOM 991 N ILE A 64 9.446 -7.356 -30.854 1.00 25.00 N ATOM 992 CA ILE A 64 9.295 -5.904 -30.698 1.00 25.00 C ATOM 993 C ILE A 64 8.625 -5.311 -31.933 1.00 25.00 C ATOM 994 O ILE A 64 9.023 -5.598 -33.074 1.00 25.00 O ATOM 995 CB ILE A 64 10.694 -5.218 -30.502 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.432 -5.805 -29.275 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.551 -3.684 -30.357 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.725 -5.618 -27.914 1.00 25.00 C ATOM 0 H ILE A 64 10.416 -7.670 -30.828 1.00 25.00 H new ATOM 0 HA ILE A 64 8.678 -5.722 -29.818 1.00 25.00 H new ATOM 0 HB ILE A 64 11.287 -5.423 -31.394 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.583 -6.872 -29.441 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.420 -5.348 -29.216 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.536 -3.238 -30.223 1.00 25.00 H new ATOM 0 HG22 ILE A 64 10.087 -3.275 -31.255 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.929 -3.457 -29.491 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.329 -6.067 -27.125 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.598 -4.554 -27.713 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.748 -6.101 -27.942 1.00 25.00 H new