USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=11 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= -0.0903 K(o=-0.09,f=-0.66) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.0818 (180deg=-0.459) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.638 K(o=0.64,f=-2.6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0749 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 1.02 (180deg=1.02) USER MOD Single : A 32 MET CE :methyl -171:sc= -0.348 (180deg=-0.552) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -40:sc= 0.825 USER MOD Single : A 40 GLN : amide:sc= -0.0443 X(o=-0.044,f=-0.15) USER MOD Single : A 48 CYS SG : rot 58:sc= -1.52 USER MOD Single : A 49 SER OG : rot 32:sc= 0.824 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 60 ASN : amide:sc=-0.00826 X(o=-0.0083,f=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ -105:sc= 0.274 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.748 1.862 -20.347 1.00 25.00 N ATOM 81 CA LEU A 6 9.883 1.606 -21.789 1.00 25.00 C ATOM 82 C LEU A 6 8.671 1.982 -22.630 1.00 25.00 C ATOM 83 O LEU A 6 8.827 2.562 -23.701 1.00 25.00 O ATOM 84 CB LEU A 6 10.201 0.135 -22.027 1.00 25.00 C ATOM 85 CG LEU A 6 11.558 -0.312 -21.477 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.614 -1.810 -21.501 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.715 0.275 -22.288 1.00 25.00 C ATOM 0 HA LEU A 6 10.695 2.257 -22.114 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.419 -0.472 -21.571 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.173 -0.062 -23.099 1.00 25.00 H new ATOM 0 HG LEU A 6 11.663 0.053 -20.455 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.576 -2.144 -21.112 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.812 -2.214 -20.883 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.495 -2.162 -22.526 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.662 -0.064 -21.868 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.638 -0.056 -23.324 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.670 1.363 -22.250 1.00 25.00 H new ATOM 99 N ASN A 7 7.484 1.635 -22.151 1.00 25.00 N ATOM 100 CA ASN A 7 6.220 1.919 -22.849 1.00 25.00 C ATOM 101 C ASN A 7 6.236 1.486 -24.320 1.00 25.00 C ATOM 102 O ASN A 7 5.765 2.201 -25.205 1.00 25.00 O ATOM 103 CB ASN A 7 5.876 3.409 -22.749 1.00 25.00 C ATOM 104 CG ASN A 7 4.415 3.675 -23.001 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.550 2.954 -22.518 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.126 4.709 -23.741 1.00 25.00 N ATOM 0 H ASN A 7 7.361 1.146 -21.264 1.00 25.00 H new ATOM 0 HA ASN A 7 5.453 1.328 -22.350 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.145 3.776 -21.758 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.474 3.967 -23.469 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.152 4.941 -23.935 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.874 5.286 -24.126 1.00 25.00 H new ATOM 113 N VAL A 8 6.788 0.312 -24.572 1.00 25.00 N ATOM 114 CA VAL A 8 6.876 -0.239 -25.922 1.00 25.00 C ATOM 115 C VAL A 8 6.025 -1.493 -25.854 1.00 25.00 C ATOM 116 O VAL A 8 5.724 -1.946 -24.767 1.00 25.00 O ATOM 117 CB VAL A 8 8.369 -0.514 -26.320 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.958 -1.695 -25.529 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.505 -0.757 -27.833 1.00 25.00 C ATOM 0 H VAL A 8 7.188 -0.289 -23.851 1.00 25.00 H new ATOM 0 HA VAL A 8 6.518 0.438 -26.698 1.00 25.00 H new ATOM 0 HB VAL A 8 8.940 0.378 -26.063 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.993 -1.856 -25.831 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.922 -1.473 -24.463 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.377 -2.595 -25.732 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.550 -0.945 -28.079 1.00 25.00 H new ATOM 0 HG22 VAL A 8 7.904 -1.621 -28.118 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.157 0.122 -28.375 1.00 25.00 H new ATOM 129 N LEU A 9 5.594 -2.041 -26.977 1.00 25.00 N ATOM 130 CA LEU A 9 4.736 -3.221 -26.955 1.00 25.00 C ATOM 131 C LEU A 9 5.258 -4.250 -27.934 1.00 25.00 C ATOM 132 O LEU A 9 6.025 -3.929 -28.847 1.00 25.00 O ATOM 133 CB LEU A 9 3.259 -2.873 -27.236 1.00 25.00 C ATOM 134 CG LEU A 9 2.898 -1.730 -28.205 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.484 -1.965 -28.740 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.932 -0.350 -27.517 1.00 25.00 C ATOM 0 H LEU A 9 5.819 -1.694 -27.909 1.00 25.00 H new ATOM 0 HA LEU A 9 4.765 -3.643 -25.950 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.781 -3.777 -27.612 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.794 -2.642 -26.277 1.00 25.00 H new ATOM 0 HG LEU A 9 3.637 -1.730 -29.007 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.217 -1.162 -29.427 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.448 -2.919 -29.265 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.779 -1.981 -27.909 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.671 0.423 -28.239 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.216 -0.335 -26.695 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.933 -0.161 -27.129 1.00 25.00 H new ATOM 148 N ALA A 10 4.900 -5.499 -27.696 1.00 25.00 N ATOM 149 CA ALA A 10 5.412 -6.610 -28.474 1.00 25.00 C ATOM 150 C ALA A 10 4.316 -7.647 -28.706 1.00 25.00 C ATOM 151 O ALA A 10 3.412 -7.807 -27.884 1.00 25.00 O ATOM 152 CB ALA A 10 6.590 -7.239 -27.729 1.00 25.00 C ATOM 0 H ALA A 10 4.248 -5.770 -26.960 1.00 25.00 H new ATOM 0 HA ALA A 10 5.747 -6.248 -29.446 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.981 -8.076 -28.307 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.374 -6.494 -27.593 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.256 -7.596 -26.755 1.00 25.00 H new ATOM 158 N LYS A 11 4.428 -8.369 -29.811 1.00 25.00 N ATOM 159 CA LYS A 11 3.521 -9.474 -30.116 1.00 25.00 C ATOM 160 C LYS A 11 4.211 -10.754 -29.693 1.00 25.00 C ATOM 161 O LYS A 11 5.374 -10.956 -30.029 1.00 25.00 O ATOM 162 CB LYS A 11 3.228 -9.543 -31.618 1.00 25.00 C ATOM 163 CG LYS A 11 2.216 -10.646 -31.984 1.00 25.00 C ATOM 164 CD LYS A 11 2.690 -11.516 -33.149 1.00 25.00 C ATOM 165 CE LYS A 11 2.297 -10.917 -34.495 1.00 25.00 C ATOM 166 NZ LYS A 11 0.798 -10.939 -34.684 1.00 25.00 N ATOM 0 H LYS A 11 5.144 -8.210 -30.520 1.00 25.00 H new ATOM 0 HA LYS A 11 2.577 -9.331 -29.590 1.00 25.00 H new ATOM 0 HB2 LYS A 11 2.843 -8.579 -31.952 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.159 -9.719 -32.157 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.040 -11.277 -31.112 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.262 -10.187 -32.243 1.00 25.00 H new ATOM 0 HD2 LYS A 11 3.773 -11.628 -33.103 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.262 -12.514 -33.056 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.660 -9.891 -34.560 1.00 25.00 H new ATOM 0 HE3 LYS A 11 2.776 -11.476 -35.299 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 0.576 -10.923 -35.700 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 0.407 -11.804 -34.258 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 0.378 -10.106 -34.224 1.00 25.00 H new ATOM 180 N ALA A 12 3.514 -11.629 -28.993 1.00 25.00 N ATOM 181 CA ALA A 12 4.093 -12.910 -28.625 1.00 25.00 C ATOM 182 C ALA A 12 4.156 -13.811 -29.858 1.00 25.00 C ATOM 183 O ALA A 12 3.214 -13.884 -30.649 1.00 25.00 O ATOM 184 CB ALA A 12 3.279 -13.558 -27.530 1.00 25.00 C ATOM 0 H ALA A 12 2.558 -11.481 -28.670 1.00 25.00 H new ATOM 0 HA ALA A 12 5.104 -12.756 -28.247 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.724 -14.517 -27.264 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.265 -12.909 -26.654 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.259 -13.716 -27.880 1.00 25.00 H new ATOM 190 N LEU A 13 5.277 -14.495 -30.005 1.00 25.00 N ATOM 191 CA LEU A 13 5.495 -15.433 -31.104 1.00 25.00 C ATOM 192 C LEU A 13 5.105 -16.833 -30.662 1.00 25.00 C ATOM 193 O LEU A 13 4.726 -17.671 -31.473 1.00 25.00 O ATOM 194 CB LEU A 13 6.977 -15.435 -31.495 1.00 25.00 C ATOM 195 CG LEU A 13 7.526 -14.131 -32.088 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.047 -14.212 -32.174 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.932 -13.871 -33.482 1.00 25.00 C ATOM 0 H LEU A 13 6.068 -14.419 -29.365 1.00 25.00 H new ATOM 0 HA LEU A 13 4.888 -15.129 -31.957 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.564 -15.682 -30.610 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.139 -16.234 -32.218 1.00 25.00 H new ATOM 0 HG LEU A 13 7.241 -13.304 -31.438 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.437 -13.286 -32.595 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.460 -14.360 -31.176 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.331 -15.049 -32.812 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.336 -12.941 -33.882 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.191 -14.695 -34.147 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.847 -13.792 -33.406 1.00 25.00 H new ATOM 209 N TYR A 14 5.192 -17.068 -29.363 1.00 25.00 N ATOM 210 CA TYR A 14 4.889 -18.369 -28.778 1.00 25.00 C ATOM 211 C TYR A 14 3.878 -18.162 -27.664 1.00 25.00 C ATOM 212 O TYR A 14 3.738 -17.060 -27.148 1.00 25.00 O ATOM 213 CB TYR A 14 6.153 -19.008 -28.210 1.00 25.00 C ATOM 214 CG TYR A 14 7.289 -19.109 -29.205 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.437 -20.240 -30.031 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.232 -18.069 -29.319 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.514 -20.327 -30.958 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.309 -18.153 -30.230 1.00 25.00 C ATOM 219 CZ TYR A 14 9.442 -19.282 -31.043 1.00 25.00 C ATOM 220 OH TYR A 14 10.485 -19.358 -31.928 1.00 25.00 O ATOM 0 H TYR A 14 5.475 -16.363 -28.682 1.00 25.00 H new ATOM 0 HA TYR A 14 4.486 -19.032 -29.544 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.487 -18.428 -27.350 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.912 -20.007 -27.846 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.726 -21.050 -29.960 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.130 -17.191 -28.699 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.615 -21.195 -31.593 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.026 -17.348 -30.298 1.00 25.00 H new ATOM 0 HH TYR A 14 11.033 -18.548 -31.858 1.00 25.00 H new ATOM 230 N ASP A 15 3.180 -19.222 -27.307 1.00 25.00 N ATOM 231 CA ASP A 15 2.191 -19.205 -26.238 1.00 25.00 C ATOM 232 C ASP A 15 2.802 -19.788 -24.972 1.00 25.00 C ATOM 233 O ASP A 15 3.863 -20.411 -25.015 1.00 25.00 O ATOM 234 CB ASP A 15 0.934 -19.994 -26.653 1.00 25.00 C ATOM 235 CG ASP A 15 1.239 -21.424 -27.120 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.462 -22.317 -26.759 1.00 25.00 O ATOM 237 OD2 ASP A 15 2.105 -21.614 -28.012 1.00 25.00 O ATOM 0 H ASP A 15 3.282 -20.133 -27.755 1.00 25.00 H new ATOM 0 HA ASP A 15 1.890 -18.176 -26.043 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.244 -20.034 -25.810 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.426 -19.458 -27.455 1.00 25.00 H new ATOM 242 N ASN A 16 2.156 -19.534 -23.844 1.00 25.00 N ATOM 243 CA ASN A 16 2.619 -19.996 -22.550 1.00 25.00 C ATOM 244 C ASN A 16 1.409 -20.184 -21.649 1.00 25.00 C ATOM 245 O ASN A 16 0.367 -19.569 -21.874 1.00 25.00 O ATOM 246 CB ASN A 16 3.529 -18.936 -21.931 1.00 25.00 C ATOM 247 CG ASN A 16 4.317 -19.465 -20.769 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.046 -20.438 -20.909 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.188 -18.836 -19.640 1.00 25.00 N ATOM 0 H ASN A 16 1.290 -18.997 -23.804 1.00 25.00 H new ATOM 0 HA ASN A 16 3.166 -20.932 -22.661 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.215 -18.561 -22.691 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.925 -18.090 -21.602 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.707 -19.149 -18.820 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.567 -18.029 -19.574 1.00 25.00 H new ATOM 256 N VAL A 17 1.573 -20.962 -20.595 1.00 25.00 N ATOM 257 CA VAL A 17 0.565 -21.081 -19.553 1.00 25.00 C ATOM 258 C VAL A 17 1.361 -20.788 -18.295 1.00 25.00 C ATOM 259 O VAL A 17 2.494 -21.236 -18.170 1.00 25.00 O ATOM 260 CB VAL A 17 -0.135 -22.486 -19.545 1.00 25.00 C ATOM 261 CG1 VAL A 17 0.881 -23.638 -19.412 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.178 -22.564 -18.420 1.00 25.00 C ATOM 0 H VAL A 17 2.406 -21.529 -20.436 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.279 -20.403 -19.682 1.00 25.00 H new ATOM 0 HB VAL A 17 -0.638 -22.601 -20.505 1.00 25.00 H new ATOM 0 HG11 VAL A 17 0.352 -24.591 -19.411 1.00 25.00 H new ATOM 0 HG12 VAL A 17 1.576 -23.609 -20.252 1.00 25.00 H new ATOM 0 HG13 VAL A 17 1.435 -23.529 -18.479 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.652 -23.545 -18.431 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -0.689 -22.408 -17.459 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -1.934 -21.794 -18.571 1.00 25.00 H new ATOM 272 N ALA A 18 0.822 -19.941 -17.435 1.00 25.00 N ATOM 273 CA ALA A 18 1.542 -19.507 -16.247 1.00 25.00 C ATOM 274 C ALA A 18 1.118 -20.341 -15.050 1.00 25.00 C ATOM 275 O ALA A 18 -0.067 -20.652 -14.899 1.00 25.00 O ATOM 276 CB ALA A 18 1.256 -18.031 -15.978 1.00 25.00 C ATOM 0 H ALA A 18 -0.110 -19.540 -17.536 1.00 25.00 H new ATOM 0 HA ALA A 18 2.611 -19.640 -16.411 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.798 -17.712 -15.088 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.579 -17.436 -16.832 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.186 -17.890 -15.822 1.00 25.00 H new ATOM 282 N GLU A 19 2.068 -20.633 -14.176 1.00 25.00 N ATOM 283 CA GLU A 19 1.767 -21.308 -12.912 1.00 25.00 C ATOM 284 C GLU A 19 2.236 -20.466 -11.726 1.00 25.00 C ATOM 285 O GLU A 19 1.687 -20.568 -10.629 1.00 25.00 O ATOM 286 CB GLU A 19 2.382 -22.716 -12.870 1.00 25.00 C ATOM 287 CG GLU A 19 3.909 -22.765 -12.849 1.00 25.00 C ATOM 288 CD GLU A 19 4.430 -24.197 -12.783 1.00 25.00 C ATOM 289 OE1 GLU A 19 4.113 -24.902 -11.798 1.00 25.00 O ATOM 290 OE2 GLU A 19 5.145 -24.621 -13.717 1.00 25.00 O ATOM 0 H GLU A 19 3.055 -20.416 -14.313 1.00 25.00 H new ATOM 0 HA GLU A 19 0.685 -21.422 -12.841 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.007 -23.231 -11.986 1.00 25.00 H new ATOM 0 HB3 GLU A 19 2.030 -23.274 -13.738 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.300 -22.277 -13.742 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.279 -22.204 -11.991 1.00 25.00 H new ATOM 297 N SER A 20 3.210 -19.595 -11.950 1.00 25.00 N ATOM 298 CA SER A 20 3.669 -18.698 -10.894 1.00 25.00 C ATOM 299 C SER A 20 2.771 -17.460 -10.881 1.00 25.00 C ATOM 300 O SER A 20 2.299 -17.026 -11.930 1.00 25.00 O ATOM 301 CB SER A 20 5.122 -18.296 -11.135 1.00 25.00 C ATOM 302 OG SER A 20 5.961 -19.438 -11.121 1.00 25.00 O ATOM 0 H SER A 20 3.694 -19.489 -12.842 1.00 25.00 H new ATOM 0 HA SER A 20 3.614 -19.204 -9.930 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.210 -17.784 -12.093 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.443 -17.592 -10.367 1.00 25.00 H new ATOM 0 HG SER A 20 6.889 -19.164 -11.279 1.00 25.00 H new ATOM 308 N PRO A 21 2.530 -16.857 -9.702 1.00 25.00 N ATOM 309 CA PRO A 21 1.644 -15.683 -9.722 1.00 25.00 C ATOM 310 C PRO A 21 2.279 -14.443 -10.357 1.00 25.00 C ATOM 311 O PRO A 21 1.575 -13.534 -10.791 1.00 25.00 O ATOM 312 CB PRO A 21 1.349 -15.456 -8.237 1.00 25.00 C ATOM 313 CG PRO A 21 2.564 -15.952 -7.544 1.00 25.00 C ATOM 314 CD PRO A 21 2.977 -17.173 -8.330 1.00 25.00 C ATOM 0 HA PRO A 21 0.758 -15.855 -10.333 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.171 -14.402 -8.023 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.460 -16.000 -7.920 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.352 -15.199 -7.537 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.353 -16.202 -6.504 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.054 -17.336 -8.285 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.501 -18.077 -7.949 1.00 25.00 H new ATOM 322 N ASP A 22 3.603 -14.423 -10.419 1.00 25.00 N ATOM 323 CA ASP A 22 4.351 -13.313 -11.008 1.00 25.00 C ATOM 324 C ASP A 22 4.500 -13.490 -12.515 1.00 25.00 C ATOM 325 O ASP A 22 5.074 -12.648 -13.192 1.00 25.00 O ATOM 326 CB ASP A 22 5.752 -13.246 -10.388 1.00 25.00 C ATOM 327 CG ASP A 22 5.721 -12.898 -8.913 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.942 -11.717 -8.571 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.486 -13.813 -8.091 1.00 25.00 O ATOM 0 H ASP A 22 4.193 -15.175 -10.063 1.00 25.00 H new ATOM 0 HA ASP A 22 3.799 -12.395 -10.808 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.250 -14.206 -10.520 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.346 -12.503 -10.920 1.00 25.00 H new ATOM 334 N GLU A 23 4.036 -14.617 -13.033 1.00 25.00 N ATOM 335 CA GLU A 23 4.199 -14.969 -14.436 1.00 25.00 C ATOM 336 C GLU A 23 2.942 -14.628 -15.240 1.00 25.00 C ATOM 337 O GLU A 23 1.819 -14.791 -14.762 1.00 25.00 O ATOM 338 CB GLU A 23 4.463 -16.468 -14.497 1.00 25.00 C ATOM 339 CG GLU A 23 4.872 -16.986 -15.838 1.00 25.00 C ATOM 340 CD GLU A 23 4.972 -18.506 -15.860 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.384 -19.043 -16.912 1.00 25.00 O ATOM 342 OE2 GLU A 23 4.587 -19.167 -14.854 1.00 25.00 O ATOM 0 H GLU A 23 3.533 -15.318 -12.489 1.00 25.00 H new ATOM 0 HA GLU A 23 5.025 -14.405 -14.869 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.243 -16.713 -13.777 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.561 -16.993 -14.181 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.151 -16.660 -16.587 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.835 -16.556 -16.114 1.00 25.00 H new ATOM 349 N LEU A 24 3.118 -14.172 -16.475 1.00 25.00 N ATOM 350 CA LEU A 24 1.971 -13.875 -17.329 1.00 25.00 C ATOM 351 C LEU A 24 1.648 -15.039 -18.261 1.00 25.00 C ATOM 352 O LEU A 24 2.523 -15.574 -18.937 1.00 25.00 O ATOM 353 CB LEU A 24 2.239 -12.624 -18.169 1.00 25.00 C ATOM 354 CG LEU A 24 1.443 -11.378 -17.759 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.886 -10.208 -18.623 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.073 -11.585 -17.893 1.00 25.00 C ATOM 0 H LEU A 24 4.028 -14.002 -16.903 1.00 25.00 H new ATOM 0 HA LEU A 24 1.117 -13.705 -16.673 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.302 -12.390 -18.114 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.016 -12.851 -19.211 1.00 25.00 H new ATOM 0 HG LEU A 24 1.645 -11.176 -16.707 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.327 -9.316 -18.341 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.951 -10.030 -18.476 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.697 -10.438 -19.672 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.592 -10.676 -17.591 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.318 -11.816 -18.930 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.385 -12.410 -17.253 1.00 25.00 H new ATOM 368 N SER A 25 0.373 -15.391 -18.341 1.00 25.00 N ATOM 369 CA SER A 25 -0.073 -16.420 -19.280 1.00 25.00 C ATOM 370 C SER A 25 -0.404 -15.734 -20.605 1.00 25.00 C ATOM 371 O SER A 25 -1.549 -15.369 -20.864 1.00 25.00 O ATOM 372 CB SER A 25 -1.304 -17.147 -18.731 1.00 25.00 C ATOM 373 OG SER A 25 -1.594 -18.309 -19.488 1.00 25.00 O ATOM 0 H SER A 25 -0.370 -14.984 -17.772 1.00 25.00 H new ATOM 0 HA SER A 25 0.711 -17.163 -19.426 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.133 -17.421 -17.690 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.163 -16.476 -18.747 1.00 25.00 H new ATOM 0 HG SER A 25 -2.383 -18.754 -19.115 1.00 25.00 H new ATOM 379 N PHE A 26 0.612 -15.538 -21.429 1.00 25.00 N ATOM 380 CA PHE A 26 0.451 -14.876 -22.723 1.00 25.00 C ATOM 381 C PHE A 26 0.299 -15.927 -23.811 1.00 25.00 C ATOM 382 O PHE A 26 0.675 -17.078 -23.626 1.00 25.00 O ATOM 383 CB PHE A 26 1.667 -13.992 -23.018 1.00 25.00 C ATOM 384 CG PHE A 26 2.974 -14.739 -22.991 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.683 -14.873 -21.786 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.499 -15.323 -24.160 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.893 -15.591 -21.732 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.722 -16.034 -24.124 1.00 25.00 C ATOM 389 CZ PHE A 26 5.419 -16.167 -22.903 1.00 25.00 C ATOM 0 H PHE A 26 1.568 -15.830 -21.226 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.439 -14.248 -22.697 1.00 25.00 H new ATOM 0 HB2 PHE A 26 1.542 -13.531 -23.998 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.704 -13.184 -22.287 1.00 25.00 H new ATOM 0 HD1 PHE A 26 3.294 -14.418 -20.887 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.963 -15.227 -25.093 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.416 -15.699 -20.794 1.00 25.00 H new ATOM 0 HE2 PHE A 26 5.121 -16.473 -25.027 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.353 -16.709 -22.868 1.00 25.00 H new ATOM 399 N ARG A 27 -0.246 -15.537 -24.955 1.00 25.00 N ATOM 400 CA ARG A 27 -0.445 -16.476 -26.058 1.00 25.00 C ATOM 401 C ARG A 27 0.111 -15.916 -27.343 1.00 25.00 C ATOM 402 O ARG A 27 0.166 -14.709 -27.526 1.00 25.00 O ATOM 403 CB ARG A 27 -1.926 -16.789 -26.232 1.00 25.00 C ATOM 404 CG ARG A 27 -2.542 -17.462 -25.007 1.00 25.00 C ATOM 405 CD ARG A 27 -4.003 -17.756 -25.235 1.00 25.00 C ATOM 406 NE ARG A 27 -4.787 -16.512 -25.345 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.091 -16.441 -25.576 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.836 -17.511 -25.733 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.652 -15.267 -25.650 1.00 25.00 N ATOM 0 H ARG A 27 -0.557 -14.585 -25.146 1.00 25.00 H new ATOM 0 HA ARG A 27 0.087 -17.396 -25.817 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.465 -15.865 -26.441 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.055 -17.437 -27.099 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.010 -18.388 -24.789 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.428 -16.817 -24.136 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.120 -18.344 -26.145 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.388 -18.360 -24.413 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.284 -15.632 -25.234 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.415 -18.438 -25.679 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.836 -17.415 -25.909 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.089 -14.425 -25.531 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.654 -15.191 -25.827 1.00 25.00 H new ATOM 423 N LYS A 28 0.503 -16.801 -28.242 1.00 25.00 N ATOM 424 CA LYS A 28 1.038 -16.402 -29.541 1.00 25.00 C ATOM 425 C LYS A 28 -0.002 -15.598 -30.301 1.00 25.00 C ATOM 426 O LYS A 28 -1.184 -15.925 -30.299 1.00 25.00 O ATOM 427 CB LYS A 28 1.491 -17.629 -30.348 1.00 25.00 C ATOM 428 CG LYS A 28 0.446 -18.740 -30.515 1.00 25.00 C ATOM 429 CD LYS A 28 1.135 -20.060 -30.858 1.00 25.00 C ATOM 430 CE LYS A 28 0.172 -21.244 -30.727 1.00 25.00 C ATOM 431 NZ LYS A 28 0.922 -22.518 -30.426 1.00 25.00 N ATOM 0 H LYS A 28 0.462 -17.810 -28.099 1.00 25.00 H new ATOM 0 HA LYS A 28 1.915 -15.774 -29.383 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.801 -17.295 -31.338 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.371 -18.053 -29.865 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.130 -18.849 -29.596 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.258 -18.473 -31.303 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.523 -20.016 -31.876 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.989 -20.209 -30.197 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.549 -21.046 -29.934 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.395 -21.361 -31.651 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 0.247 -23.303 -30.325 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 1.580 -22.725 -31.204 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.457 -22.405 -29.541 1.00 25.00 H new ATOM 445 N GLY A 29 0.451 -14.517 -30.910 1.00 25.00 N ATOM 446 CA GLY A 29 -0.430 -13.624 -31.643 1.00 25.00 C ATOM 447 C GLY A 29 -0.920 -12.455 -30.808 1.00 25.00 C ATOM 448 O GLY A 29 -1.207 -11.394 -31.361 1.00 25.00 O ATOM 0 H GLY A 29 1.431 -14.234 -30.911 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.095 -13.243 -32.519 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.289 -14.188 -32.007 1.00 25.00 H new ATOM 452 N ASP A 30 -1.000 -12.641 -29.497 1.00 25.00 N ATOM 453 CA ASP A 30 -1.496 -11.610 -28.582 1.00 25.00 C ATOM 454 C ASP A 30 -0.467 -10.491 -28.405 1.00 25.00 C ATOM 455 O ASP A 30 0.714 -10.658 -28.749 1.00 25.00 O ATOM 456 CB ASP A 30 -1.832 -12.243 -27.225 1.00 25.00 C ATOM 457 CG ASP A 30 -3.091 -11.666 -26.609 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.856 -12.445 -25.995 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.336 -10.451 -26.768 1.00 25.00 O ATOM 0 H ASP A 30 -0.725 -13.507 -29.034 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.398 -11.172 -29.009 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.953 -13.319 -27.350 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.996 -12.094 -26.542 1.00 25.00 H new ATOM 464 N ILE A 31 -0.920 -9.349 -27.904 1.00 25.00 N ATOM 465 CA ILE A 31 -0.092 -8.145 -27.791 1.00 25.00 C ATOM 466 C ILE A 31 0.020 -7.717 -26.331 1.00 25.00 C ATOM 467 O ILE A 31 -0.989 -7.566 -25.655 1.00 25.00 O ATOM 468 CB ILE A 31 -0.730 -6.949 -28.583 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.123 -7.365 -30.022 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.230 -5.725 -28.595 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.027 -7.795 -30.932 1.00 25.00 C ATOM 0 H ILE A 31 -1.873 -9.227 -27.563 1.00 25.00 H new ATOM 0 HA ILE A 31 0.889 -8.386 -28.201 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.646 -6.659 -28.068 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.837 -8.186 -29.959 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.639 -6.528 -30.493 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.231 -4.907 -29.149 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.425 -5.406 -27.571 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.169 -6.004 -29.073 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.366 -8.064 -31.913 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.735 -6.973 -31.037 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.534 -8.656 -30.496 1.00 25.00 H new ATOM 483 N MET A 32 1.237 -7.486 -25.859 1.00 25.00 N ATOM 484 CA MET A 32 1.456 -7.040 -24.481 1.00 25.00 C ATOM 485 C MET A 32 2.409 -5.859 -24.438 1.00 25.00 C ATOM 486 O MET A 32 3.328 -5.751 -25.256 1.00 25.00 O ATOM 487 CB MET A 32 2.002 -8.183 -23.615 1.00 25.00 C ATOM 488 CG MET A 32 3.249 -8.871 -24.167 1.00 25.00 C ATOM 489 SD MET A 32 3.038 -10.662 -24.166 1.00 25.00 S ATOM 490 CE MET A 32 1.854 -10.880 -25.525 1.00 25.00 C ATOM 0 H MET A 32 2.091 -7.599 -26.406 1.00 25.00 H new ATOM 0 HA MET A 32 0.493 -6.726 -24.079 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.230 -7.791 -22.624 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.218 -8.930 -23.490 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.444 -8.523 -25.181 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.117 -8.601 -23.565 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.505 -11.913 -25.542 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.005 -10.213 -25.378 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.340 -10.646 -26.472 1.00 25.00 H new ATOM 500 N THR A 33 2.175 -4.971 -23.488 1.00 25.00 N ATOM 501 CA THR A 33 3.024 -3.794 -23.302 1.00 25.00 C ATOM 502 C THR A 33 4.201 -4.199 -22.432 1.00 25.00 C ATOM 503 O THR A 33 4.006 -4.824 -21.407 1.00 25.00 O ATOM 504 CB THR A 33 2.248 -2.656 -22.602 1.00 25.00 C ATOM 505 OG1 THR A 33 1.039 -2.407 -23.321 1.00 25.00 O ATOM 506 CG2 THR A 33 3.056 -1.361 -22.571 1.00 25.00 C ATOM 0 H THR A 33 1.401 -5.038 -22.827 1.00 25.00 H new ATOM 0 HA THR A 33 3.357 -3.432 -24.275 1.00 25.00 H new ATOM 0 HB THR A 33 2.045 -2.969 -21.578 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.540 -1.687 -22.882 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.478 -0.584 -22.071 1.00 25.00 H new ATOM 0 HG22 THR A 33 3.987 -1.526 -22.029 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.280 -1.048 -23.591 1.00 25.00 H new ATOM 514 N VAL A 34 5.408 -3.843 -22.839 1.00 25.00 N ATOM 515 CA VAL A 34 6.624 -4.131 -22.076 1.00 25.00 C ATOM 516 C VAL A 34 6.988 -2.866 -21.303 1.00 25.00 C ATOM 517 O VAL A 34 7.067 -1.768 -21.871 1.00 25.00 O ATOM 518 CB VAL A 34 7.804 -4.535 -23.012 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.101 -4.706 -22.214 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.488 -5.847 -23.754 1.00 25.00 C ATOM 0 H VAL A 34 5.579 -3.343 -23.712 1.00 25.00 H new ATOM 0 HA VAL A 34 6.444 -4.969 -21.403 1.00 25.00 H new ATOM 0 HB VAL A 34 7.935 -3.734 -23.739 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.909 -4.988 -22.889 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.351 -3.767 -21.721 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.967 -5.485 -21.464 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.325 -6.110 -24.401 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.325 -6.645 -23.029 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.590 -5.716 -24.357 1.00 25.00 H new ATOM 530 N LEU A 35 7.161 -3.020 -20.000 1.00 25.00 N ATOM 531 CA LEU A 35 7.433 -1.901 -19.107 1.00 25.00 C ATOM 532 C LEU A 35 8.916 -1.834 -18.745 1.00 25.00 C ATOM 533 O LEU A 35 9.549 -0.791 -18.894 1.00 25.00 O ATOM 534 CB LEU A 35 6.595 -2.061 -17.830 1.00 25.00 C ATOM 535 CG LEU A 35 5.077 -2.248 -18.019 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.426 -2.535 -16.670 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.425 -1.018 -18.653 1.00 25.00 C ATOM 0 H LEU A 35 7.117 -3.924 -19.530 1.00 25.00 H new ATOM 0 HA LEU A 35 7.167 -0.975 -19.616 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.978 -2.919 -17.277 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.755 -1.182 -17.205 1.00 25.00 H new ATOM 0 HG LEU A 35 4.926 -3.089 -18.695 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.352 -2.667 -16.805 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.853 -3.444 -16.246 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.607 -1.699 -15.994 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.355 -1.192 -18.768 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.585 -0.151 -18.012 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.870 -0.834 -19.631 1.00 25.00 H new ATOM 549 N GLU A 36 9.460 -2.962 -18.305 1.00 25.00 N ATOM 550 CA GLU A 36 10.855 -3.064 -17.855 1.00 25.00 C ATOM 551 C GLU A 36 11.498 -4.337 -18.417 1.00 25.00 C ATOM 552 O GLU A 36 10.805 -5.205 -18.942 1.00 25.00 O ATOM 553 CB GLU A 36 10.903 -3.128 -16.318 1.00 25.00 C ATOM 554 CG GLU A 36 11.085 -1.778 -15.627 1.00 25.00 C ATOM 555 CD GLU A 36 9.852 -0.888 -15.707 1.00 25.00 C ATOM 556 OE1 GLU A 36 10.008 0.304 -16.047 1.00 25.00 O ATOM 557 OE2 GLU A 36 8.736 -1.368 -15.415 1.00 25.00 O ATOM 0 H GLU A 36 8.947 -3.842 -18.247 1.00 25.00 H new ATOM 0 HA GLU A 36 11.399 -2.189 -18.210 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.980 -3.583 -15.958 1.00 25.00 H new ATOM 0 HB3 GLU A 36 11.720 -3.786 -16.021 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.336 -1.945 -14.580 1.00 25.00 H new ATOM 0 HG3 GLU A 36 11.930 -1.258 -16.079 1.00 25.00 H new ATOM 564 N ARG A 37 12.812 -4.471 -18.260 1.00 25.00 N ATOM 565 CA ARG A 37 13.543 -5.689 -18.647 1.00 25.00 C ATOM 566 C ARG A 37 14.451 -6.032 -17.484 1.00 25.00 C ATOM 567 O ARG A 37 14.786 -5.142 -16.717 1.00 25.00 O ATOM 568 CB ARG A 37 14.395 -5.466 -19.896 1.00 25.00 C ATOM 569 CG ARG A 37 13.607 -5.067 -21.131 1.00 25.00 C ATOM 570 CD ARG A 37 14.478 -5.151 -22.376 1.00 25.00 C ATOM 571 NE ARG A 37 15.671 -4.296 -22.258 1.00 25.00 N ATOM 572 CZ ARG A 37 16.762 -4.393 -23.010 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.874 -5.277 -23.971 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.761 -3.586 -22.785 1.00 25.00 N ATOM 0 H ARG A 37 13.406 -3.743 -17.862 1.00 25.00 H new ATOM 0 HA ARG A 37 12.837 -6.487 -18.875 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.132 -4.691 -19.684 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.947 -6.381 -20.112 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.741 -5.720 -21.242 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.228 -4.052 -21.014 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.784 -6.184 -22.538 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.898 -4.850 -23.248 1.00 25.00 H new ATOM 0 HE ARG A 37 15.659 -3.571 -21.541 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.107 -5.921 -24.163 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.728 -5.321 -24.527 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.698 -2.892 -22.040 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.605 -3.648 -23.354 1.00 25.00 H new ATOM 588 N ASP A 38 14.822 -7.303 -17.367 1.00 25.00 N ATOM 589 CA ASP A 38 15.658 -7.815 -16.264 1.00 25.00 C ATOM 590 C ASP A 38 14.981 -7.496 -14.929 1.00 25.00 C ATOM 591 O ASP A 38 15.588 -7.064 -13.957 1.00 25.00 O ATOM 592 CB ASP A 38 17.086 -7.265 -16.321 1.00 25.00 C ATOM 593 CG ASP A 38 18.041 -8.060 -15.452 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.606 -9.094 -14.896 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.222 -7.677 -15.345 1.00 25.00 O ATOM 0 H ASP A 38 14.552 -8.022 -18.038 1.00 25.00 H new ATOM 0 HA ASP A 38 15.748 -8.896 -16.368 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.438 -7.280 -17.352 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.086 -6.224 -15.999 1.00 25.00 H new ATOM 600 N THR A 39 13.675 -7.692 -14.923 1.00 25.00 N ATOM 601 CA THR A 39 12.821 -7.332 -13.790 1.00 25.00 C ATOM 602 C THR A 39 12.920 -8.315 -12.610 1.00 25.00 C ATOM 603 O THR A 39 12.174 -8.208 -11.638 1.00 25.00 O ATOM 604 CB THR A 39 11.351 -7.241 -14.285 1.00 25.00 C ATOM 605 OG1 THR A 39 10.495 -6.804 -13.230 1.00 25.00 O ATOM 606 CG2 THR A 39 10.851 -8.592 -14.809 1.00 25.00 C ATOM 0 H THR A 39 13.168 -8.107 -15.705 1.00 25.00 H new ATOM 0 HA THR A 39 13.168 -6.371 -13.411 1.00 25.00 H new ATOM 0 HB THR A 39 11.328 -6.519 -15.101 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.763 -7.235 -12.392 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.820 -8.492 -15.147 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.476 -8.913 -15.642 1.00 25.00 H new ATOM 0 HG23 THR A 39 10.901 -9.333 -14.011 1.00 25.00 H new ATOM 614 N GLN A 40 13.813 -9.292 -12.715 1.00 25.00 N ATOM 615 CA GLN A 40 13.964 -10.328 -11.683 1.00 25.00 C ATOM 616 C GLN A 40 15.426 -10.686 -11.406 1.00 25.00 C ATOM 617 O GLN A 40 15.707 -11.588 -10.629 1.00 25.00 O ATOM 618 CB GLN A 40 13.236 -11.603 -12.142 1.00 25.00 C ATOM 619 CG GLN A 40 11.746 -11.623 -11.835 1.00 25.00 C ATOM 620 CD GLN A 40 11.458 -11.696 -10.347 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.002 -12.526 -9.643 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.597 -10.836 -9.874 1.00 25.00 N ATOM 0 H GLN A 40 14.449 -9.394 -13.506 1.00 25.00 H new ATOM 0 HA GLN A 40 13.538 -9.926 -10.763 1.00 25.00 H new ATOM 0 HB2 GLN A 40 13.374 -11.718 -13.217 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.704 -12.465 -11.666 1.00 25.00 H new ATOM 0 HG2 GLN A 40 11.282 -10.727 -12.248 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.288 -12.478 -12.332 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.162 -10.155 -10.496 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.360 -10.845 -8.882 1.00 25.00 H new ATOM 631 N GLY A 41 16.355 -10.055 -12.112 1.00 25.00 N ATOM 632 CA GLY A 41 17.743 -10.492 -12.055 1.00 25.00 C ATOM 633 C GLY A 41 17.941 -11.593 -13.082 1.00 25.00 C ATOM 634 O GLY A 41 19.043 -12.103 -13.287 1.00 25.00 O ATOM 0 H GLY A 41 16.178 -9.255 -12.719 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.412 -9.657 -12.261 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.985 -10.856 -11.057 1.00 25.00 H new ATOM 638 N LEU A 42 16.848 -11.950 -13.746 1.00 25.00 N ATOM 639 CA LEU A 42 16.881 -12.903 -14.838 1.00 25.00 C ATOM 640 C LEU A 42 16.956 -12.072 -16.108 1.00 25.00 C ATOM 641 O LEU A 42 15.969 -11.439 -16.510 1.00 25.00 O ATOM 642 CB LEU A 42 15.595 -13.746 -14.862 1.00 25.00 C ATOM 643 CG LEU A 42 15.286 -14.631 -13.646 1.00 25.00 C ATOM 644 CD1 LEU A 42 13.873 -15.206 -13.795 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.297 -15.768 -13.505 1.00 25.00 C ATOM 0 H LEU A 42 15.918 -11.585 -13.540 1.00 25.00 H new ATOM 0 HA LEU A 42 17.724 -13.586 -14.736 1.00 25.00 H new ATOM 0 HB2 LEU A 42 14.754 -13.067 -15.002 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.635 -14.389 -15.741 1.00 25.00 H new ATOM 0 HG LEU A 42 15.353 -14.019 -12.747 1.00 25.00 H new ATOM 0 HD11 LEU A 42 13.644 -15.836 -12.936 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.152 -14.390 -13.849 1.00 25.00 H new ATOM 0 HD13 LEU A 42 13.817 -15.801 -14.707 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.046 -16.373 -12.634 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.271 -16.391 -14.399 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.297 -15.352 -13.382 1.00 25.00 H new ATOM 657 N ASP A 43 18.097 -12.108 -16.774 1.00 25.00 N ATOM 658 CA ASP A 43 18.246 -11.371 -18.015 1.00 25.00 C ATOM 659 C ASP A 43 17.385 -12.055 -19.064 1.00 25.00 C ATOM 660 O ASP A 43 17.120 -13.260 -19.005 1.00 25.00 O ATOM 661 CB ASP A 43 19.707 -11.306 -18.471 1.00 25.00 C ATOM 662 CG ASP A 43 19.915 -10.324 -19.631 1.00 25.00 C ATOM 663 OD1 ASP A 43 20.937 -10.446 -20.335 1.00 25.00 O ATOM 664 OD2 ASP A 43 19.025 -9.463 -19.872 1.00 25.00 O ATOM 0 H ASP A 43 18.922 -12.632 -16.482 1.00 25.00 H new ATOM 0 HA ASP A 43 17.926 -10.340 -17.866 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.334 -11.009 -17.630 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.034 -12.300 -18.777 1.00 25.00 H new ATOM 669 N GLY A 44 16.905 -11.266 -20.002 1.00 25.00 N ATOM 670 CA GLY A 44 16.039 -11.770 -21.047 1.00 25.00 C ATOM 671 C GLY A 44 14.577 -11.803 -20.651 1.00 25.00 C ATOM 672 O GLY A 44 13.727 -11.895 -21.524 1.00 25.00 O ATOM 0 H GLY A 44 17.101 -10.267 -20.062 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.154 -11.149 -21.935 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.357 -12.776 -21.319 1.00 25.00 H new ATOM 676 N TRP A 45 14.260 -11.704 -19.368 1.00 25.00 N ATOM 677 CA TRP A 45 12.862 -11.680 -18.927 1.00 25.00 C ATOM 678 C TRP A 45 12.408 -10.236 -18.812 1.00 25.00 C ATOM 679 O TRP A 45 13.140 -9.386 -18.303 1.00 25.00 O ATOM 680 CB TRP A 45 12.703 -12.392 -17.588 1.00 25.00 C ATOM 681 CG TRP A 45 12.805 -13.880 -17.724 1.00 25.00 C ATOM 682 CD1 TRP A 45 13.930 -14.619 -17.905 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.724 -14.834 -17.688 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.650 -15.951 -17.976 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.302 -16.129 -17.845 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.328 -14.728 -17.529 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.524 -17.307 -17.846 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.543 -15.911 -17.519 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.155 -17.189 -17.680 1.00 25.00 C ATOM 0 H TRP A 45 14.943 -11.639 -18.614 1.00 25.00 H new ATOM 0 HA TRP A 45 12.246 -12.204 -19.658 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.468 -12.039 -16.897 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.737 -12.134 -17.153 1.00 25.00 H new ATOM 0 HD1 TRP A 45 14.923 -14.203 -17.983 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.336 -16.695 -18.106 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.862 -13.760 -17.416 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.985 -18.275 -17.973 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.473 -15.842 -17.388 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.541 -18.078 -17.672 1.00 25.00 H new ATOM 700 N TRP A 46 11.232 -9.935 -19.340 1.00 25.00 N ATOM 701 CA TRP A 46 10.735 -8.570 -19.376 1.00 25.00 C ATOM 702 C TRP A 46 9.443 -8.489 -18.587 1.00 25.00 C ATOM 703 O TRP A 46 8.660 -9.438 -18.581 1.00 25.00 O ATOM 704 CB TRP A 46 10.485 -8.142 -20.828 1.00 25.00 C ATOM 705 CG TRP A 46 11.693 -8.278 -21.753 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.985 -8.559 -21.414 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.703 -8.152 -23.187 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.790 -8.631 -22.507 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.042 -8.390 -23.623 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.715 -7.875 -24.151 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.407 -8.369 -24.983 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.077 -7.853 -25.522 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.422 -8.107 -25.920 1.00 25.00 C ATOM 0 H TRP A 46 10.601 -10.623 -19.752 1.00 25.00 H new ATOM 0 HA TRP A 46 11.475 -7.903 -18.935 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.667 -8.738 -21.232 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.156 -7.103 -20.834 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.326 -8.706 -20.400 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.790 -8.832 -22.495 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.696 -7.682 -23.851 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.427 -8.552 -25.287 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.328 -7.642 -26.271 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.677 -8.095 -26.969 1.00 25.00 H new ATOM 724 N LEU A 47 9.212 -7.360 -17.938 1.00 25.00 N ATOM 725 CA LEU A 47 7.966 -7.141 -17.217 1.00 25.00 C ATOM 726 C LEU A 47 6.972 -6.651 -18.241 1.00 25.00 C ATOM 727 O LEU A 47 7.150 -5.575 -18.816 1.00 25.00 O ATOM 728 CB LEU A 47 8.131 -6.082 -16.120 1.00 25.00 C ATOM 729 CG LEU A 47 6.870 -5.788 -15.288 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.424 -7.016 -14.484 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.148 -4.628 -14.343 1.00 25.00 C ATOM 0 H LEU A 47 9.869 -6.581 -17.895 1.00 25.00 H new ATOM 0 HA LEU A 47 7.642 -8.061 -16.729 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.924 -6.404 -15.445 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.464 -5.153 -16.583 1.00 25.00 H new ATOM 0 HG LEU A 47 6.063 -5.528 -15.974 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.531 -6.770 -13.909 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.202 -7.837 -15.166 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.222 -7.315 -13.804 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.256 -4.418 -13.753 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.970 -4.890 -13.677 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.417 -3.744 -14.921 1.00 25.00 H new ATOM 743 N CYS A 48 5.953 -7.445 -18.502 1.00 25.00 N ATOM 744 CA CYS A 48 4.938 -7.082 -19.469 1.00 25.00 C ATOM 745 C CYS A 48 3.592 -6.944 -18.781 1.00 25.00 C ATOM 746 O CYS A 48 3.421 -7.401 -17.660 1.00 25.00 O ATOM 747 CB CYS A 48 4.867 -8.148 -20.554 1.00 25.00 C ATOM 748 SG CYS A 48 6.467 -8.451 -21.318 1.00 25.00 S ATOM 0 H CYS A 48 5.806 -8.350 -18.055 1.00 25.00 H new ATOM 0 HA CYS A 48 5.197 -6.126 -19.923 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.490 -9.076 -20.124 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.154 -7.838 -21.319 1.00 25.00 H new ATOM 0 HG CYS A 48 7.322 -8.810 -20.407 1.00 25.00 H new ATOM 754 N SER A 49 2.632 -6.349 -19.470 1.00 25.00 N ATOM 755 CA SER A 49 1.268 -6.245 -18.969 1.00 25.00 C ATOM 756 C SER A 49 0.292 -6.732 -20.028 1.00 25.00 C ATOM 757 O SER A 49 0.399 -6.372 -21.204 1.00 25.00 O ATOM 758 CB SER A 49 0.945 -4.810 -18.564 1.00 25.00 C ATOM 759 OG SER A 49 -0.349 -4.735 -17.984 1.00 25.00 O ATOM 0 H SER A 49 2.773 -5.926 -20.387 1.00 25.00 H new ATOM 0 HA SER A 49 1.174 -6.873 -18.083 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.689 -4.450 -17.854 1.00 25.00 H new ATOM 0 HB3 SER A 49 0.997 -4.159 -19.437 1.00 25.00 H new ATOM 0 HG SER A 49 -0.547 -5.574 -17.517 1.00 25.00 H new ATOM 765 N LEU A 50 -0.631 -7.584 -19.599 1.00 25.00 N ATOM 766 CA LEU A 50 -1.616 -8.212 -20.477 1.00 25.00 C ATOM 767 C LEU A 50 -2.877 -8.499 -19.661 1.00 25.00 C ATOM 768 O LEU A 50 -2.784 -8.941 -18.517 1.00 25.00 O ATOM 769 CB LEU A 50 -1.048 -9.533 -21.012 1.00 25.00 C ATOM 770 CG LEU A 50 -1.917 -10.304 -22.014 1.00 25.00 C ATOM 771 CD1 LEU A 50 -1.545 -9.937 -23.432 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.748 -11.800 -21.798 1.00 25.00 C ATOM 0 H LEU A 50 -0.719 -7.863 -18.622 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.850 -7.553 -21.313 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.089 -9.323 -21.485 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.849 -10.186 -20.162 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.961 -10.035 -21.852 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.172 -10.494 -24.128 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -1.696 -8.868 -23.583 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -0.498 -10.184 -23.609 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.367 -12.343 -22.512 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.703 -12.073 -21.943 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -2.053 -12.058 -20.784 1.00 25.00 H new ATOM 784 N HIS A 51 -4.040 -8.231 -20.246 1.00 25.00 N ATOM 785 CA HIS A 51 -5.350 -8.507 -19.622 1.00 25.00 C ATOM 786 C HIS A 51 -5.519 -7.875 -18.226 1.00 25.00 C ATOM 787 O HIS A 51 -6.184 -8.431 -17.360 1.00 25.00 O ATOM 788 CB HIS A 51 -5.613 -10.026 -19.532 1.00 25.00 C ATOM 789 CG HIS A 51 -5.581 -10.736 -20.855 1.00 25.00 C ATOM 790 ND1 HIS A 51 -5.872 -10.156 -22.070 1.00 25.00 N ATOM 791 CD2 HIS A 51 -5.301 -12.037 -21.147 1.00 25.00 C ATOM 792 CE1 HIS A 51 -5.743 -11.087 -23.015 1.00 25.00 C ATOM 793 NE2 HIS A 51 -5.405 -12.254 -22.506 1.00 25.00 N ATOM 0 H HIS A 51 -4.111 -7.813 -21.174 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.085 -8.039 -20.277 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.868 -10.474 -18.874 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -6.586 -10.188 -19.069 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -5.036 -12.790 -20.420 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -5.897 -10.907 -24.069 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -5.253 -13.129 -23.008 1.00 25.00 H new ATOM 801 N GLY A 52 -4.908 -6.717 -18.010 1.00 25.00 N ATOM 802 CA GLY A 52 -5.049 -6.018 -16.738 1.00 25.00 C ATOM 803 C GLY A 52 -4.095 -6.477 -15.649 1.00 25.00 C ATOM 804 O GLY A 52 -4.103 -5.930 -14.550 1.00 25.00 O ATOM 0 H GLY A 52 -4.315 -6.245 -18.692 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.899 -4.952 -16.907 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.072 -6.143 -16.382 1.00 25.00 H new ATOM 808 N ARG A 53 -3.252 -7.455 -15.949 1.00 25.00 N ATOM 809 CA ARG A 53 -2.246 -7.934 -14.999 1.00 25.00 C ATOM 810 C ARG A 53 -0.887 -7.547 -15.528 1.00 25.00 C ATOM 811 O ARG A 53 -0.741 -7.284 -16.717 1.00 25.00 O ATOM 812 CB ARG A 53 -2.298 -9.458 -14.860 1.00 25.00 C ATOM 813 CG ARG A 53 -3.553 -9.991 -14.199 1.00 25.00 C ATOM 814 CD ARG A 53 -3.336 -11.443 -13.796 1.00 25.00 C ATOM 815 NE ARG A 53 -4.524 -12.033 -13.156 1.00 25.00 N ATOM 816 CZ ARG A 53 -4.559 -13.222 -12.563 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.504 -13.998 -12.482 1.00 25.00 N ATOM 818 NH2 ARG A 53 -5.680 -13.639 -12.041 1.00 25.00 N ATOM 0 H ARG A 53 -3.242 -7.938 -16.847 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.439 -7.491 -14.022 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.209 -9.903 -15.851 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.433 -9.786 -14.284 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.798 -9.392 -13.322 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.398 -9.915 -14.883 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.075 -12.027 -14.679 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.490 -11.504 -13.111 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.386 -11.487 -13.169 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -2.616 -13.695 -12.883 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -3.572 -14.904 -12.018 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -6.514 -13.055 -12.091 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -5.722 -14.549 -11.583 1.00 25.00 H new ATOM 832 N GLN A 54 0.110 -7.574 -14.663 1.00 25.00 N ATOM 833 CA GLN A 54 1.496 -7.431 -15.076 1.00 25.00 C ATOM 834 C GLN A 54 2.138 -8.742 -14.688 1.00 25.00 C ATOM 835 O GLN A 54 1.641 -9.420 -13.794 1.00 25.00 O ATOM 836 CB GLN A 54 2.197 -6.274 -14.363 1.00 25.00 C ATOM 837 CG GLN A 54 1.603 -4.913 -14.668 1.00 25.00 C ATOM 838 CD GLN A 54 2.313 -3.793 -13.935 1.00 25.00 C ATOM 839 OE1 GLN A 54 3.360 -3.986 -13.349 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.740 -2.619 -13.969 1.00 25.00 N ATOM 0 H GLN A 54 -0.016 -7.695 -13.658 1.00 25.00 H new ATOM 0 HA GLN A 54 1.570 -7.209 -16.141 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.155 -6.445 -13.287 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.250 -6.271 -14.645 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.654 -4.730 -15.741 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.548 -4.911 -14.394 1.00 25.00 H new ATOM 0 HE21 GLN A 54 0.861 -2.495 -14.471 1.00 25.00 H new ATOM 0 HE22 GLN A 54 2.172 -1.827 -13.493 1.00 25.00 H new ATOM 849 N GLY A 55 3.218 -9.101 -15.355 1.00 25.00 N ATOM 850 CA GLY A 55 3.914 -10.333 -15.041 1.00 25.00 C ATOM 851 C GLY A 55 5.145 -10.503 -15.896 1.00 25.00 C ATOM 852 O GLY A 55 5.325 -9.795 -16.896 1.00 25.00 O ATOM 0 H GLY A 55 3.631 -8.560 -16.114 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.197 -10.335 -13.988 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.244 -11.180 -15.192 1.00 25.00 H new ATOM 856 N ILE A 56 6.012 -11.414 -15.496 1.00 25.00 N ATOM 857 CA ILE A 56 7.261 -11.647 -16.201 1.00 25.00 C ATOM 858 C ILE A 56 7.020 -12.525 -17.426 1.00 25.00 C ATOM 859 O ILE A 56 6.162 -13.418 -17.426 1.00 25.00 O ATOM 860 CB ILE A 56 8.347 -12.254 -15.249 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.009 -13.706 -14.839 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.476 -11.363 -13.986 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.111 -14.411 -14.029 1.00 25.00 C ATOM 0 H ILE A 56 5.873 -12.010 -14.680 1.00 25.00 H new ATOM 0 HA ILE A 56 7.648 -10.689 -16.548 1.00 25.00 H new ATOM 0 HB ILE A 56 9.294 -12.280 -15.788 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.091 -13.700 -14.252 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.808 -14.287 -15.739 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.231 -11.782 -13.321 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.770 -10.356 -14.280 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.517 -11.324 -13.468 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.791 -15.424 -13.784 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.026 -14.453 -14.619 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.298 -13.857 -13.109 1.00 25.00 H new ATOM 875 N VAL A 57 7.743 -12.214 -18.490 1.00 25.00 N ATOM 876 CA VAL A 57 7.618 -12.906 -19.771 1.00 25.00 C ATOM 877 C VAL A 57 9.016 -13.077 -20.360 1.00 25.00 C ATOM 878 O VAL A 57 9.784 -12.113 -20.397 1.00 25.00 O ATOM 879 CB VAL A 57 6.781 -12.041 -20.764 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.784 -12.637 -22.168 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.342 -11.882 -20.261 1.00 25.00 C ATOM 0 H VAL A 57 8.440 -11.469 -18.493 1.00 25.00 H new ATOM 0 HA VAL A 57 7.130 -13.868 -19.618 1.00 25.00 H new ATOM 0 HB VAL A 57 7.249 -11.058 -20.815 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.191 -12.008 -22.832 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.808 -12.691 -22.538 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.355 -13.639 -22.139 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.775 -11.276 -20.967 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.878 -12.864 -20.171 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.349 -11.393 -19.287 1.00 25.00 H new ATOM 891 N PRO A 58 9.370 -14.283 -20.850 1.00 25.00 N ATOM 892 CA PRO A 58 10.683 -14.327 -21.503 1.00 25.00 C ATOM 893 C PRO A 58 10.646 -13.562 -22.835 1.00 25.00 C ATOM 894 O PRO A 58 9.878 -13.881 -23.747 1.00 25.00 O ATOM 895 CB PRO A 58 10.924 -15.824 -21.691 1.00 25.00 C ATOM 896 CG PRO A 58 9.561 -16.402 -21.818 1.00 25.00 C ATOM 897 CD PRO A 58 8.683 -15.588 -20.911 1.00 25.00 C ATOM 0 HA PRO A 58 11.481 -13.853 -20.932 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.524 -16.022 -22.579 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.459 -16.250 -20.843 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.210 -16.353 -22.849 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.554 -17.453 -21.529 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.673 -15.492 -21.310 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.594 -16.042 -19.924 1.00 25.00 H new ATOM 905 N GLY A 59 11.460 -12.524 -22.932 1.00 25.00 N ATOM 906 CA GLY A 59 11.429 -11.622 -24.070 1.00 25.00 C ATOM 907 C GLY A 59 11.837 -12.239 -25.385 1.00 25.00 C ATOM 908 O GLY A 59 11.461 -11.751 -26.438 1.00 25.00 O ATOM 0 H GLY A 59 12.158 -12.284 -22.228 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.420 -11.223 -24.171 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.086 -10.777 -23.863 1.00 25.00 H new ATOM 912 N ASN A 60 12.559 -13.350 -25.339 1.00 25.00 N ATOM 913 CA ASN A 60 12.959 -14.036 -26.569 1.00 25.00 C ATOM 914 C ASN A 60 11.760 -14.692 -27.269 1.00 25.00 C ATOM 915 O ASN A 60 11.871 -15.164 -28.393 1.00 25.00 O ATOM 916 CB ASN A 60 14.029 -15.091 -26.276 1.00 25.00 C ATOM 917 CG ASN A 60 14.792 -15.491 -27.519 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.304 -14.650 -28.233 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.879 -16.769 -27.771 1.00 25.00 N ATOM 0 H ASN A 60 12.878 -13.794 -24.478 1.00 25.00 H new ATOM 0 HA ASN A 60 13.372 -13.282 -27.239 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.726 -14.703 -25.533 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.558 -15.973 -25.841 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.391 -17.093 -28.592 1.00 25.00 H new ATOM 0 HD22 ASN A 60 14.435 -17.443 -27.147 1.00 25.00 H new ATOM 926 N ARG A 61 10.606 -14.705 -26.608 1.00 25.00 N ATOM 927 CA ARG A 61 9.377 -15.218 -27.219 1.00 25.00 C ATOM 928 C ARG A 61 8.525 -14.071 -27.757 1.00 25.00 C ATOM 929 O ARG A 61 7.387 -14.290 -28.166 1.00 25.00 O ATOM 930 CB ARG A 61 8.543 -16.011 -26.202 1.00 25.00 C ATOM 931 CG ARG A 61 9.190 -17.296 -25.685 1.00 25.00 C ATOM 932 CD ARG A 61 8.146 -18.088 -24.896 1.00 25.00 C ATOM 933 NE ARG A 61 8.690 -19.249 -24.170 1.00 25.00 N ATOM 934 CZ ARG A 61 7.967 -20.073 -23.412 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.675 -19.938 -23.276 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.554 -21.042 -22.769 1.00 25.00 N ATOM 0 H ARG A 61 10.493 -14.368 -25.652 1.00 25.00 H new ATOM 0 HA ARG A 61 9.672 -15.876 -28.036 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.328 -15.365 -25.351 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.587 -16.264 -26.660 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.566 -17.891 -26.517 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.044 -17.060 -25.050 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.664 -17.421 -24.182 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.373 -18.433 -25.583 1.00 25.00 H new ATOM 0 HE ARG A 61 9.689 -19.435 -24.253 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.188 -19.183 -23.758 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.154 -20.588 -22.687 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.563 -21.168 -22.847 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.004 -21.675 -22.188 1.00 25.00 H new ATOM 950 N LEU A 62 9.048 -12.853 -27.723 1.00 25.00 N ATOM 951 CA LEU A 62 8.292 -11.668 -28.133 1.00 25.00 C ATOM 952 C LEU A 62 8.942 -10.976 -29.329 1.00 25.00 C ATOM 953 O LEU A 62 10.159 -10.872 -29.411 1.00 25.00 O ATOM 954 CB LEU A 62 8.226 -10.660 -26.972 1.00 25.00 C ATOM 955 CG LEU A 62 7.582 -11.100 -25.646 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.633 -9.939 -24.639 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.140 -11.533 -25.856 1.00 25.00 C ATOM 0 H LEU A 62 10.000 -12.655 -27.414 1.00 25.00 H new ATOM 0 HA LEU A 62 7.292 -12.000 -28.412 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.245 -10.340 -26.754 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.685 -9.783 -27.327 1.00 25.00 H new ATOM 0 HG LEU A 62 8.141 -11.951 -25.257 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.177 -10.252 -23.700 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.671 -9.656 -24.462 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.088 -9.085 -25.041 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.709 -11.839 -24.903 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.566 -10.701 -26.263 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.109 -12.370 -26.553 1.00 25.00 H new ATOM 969 N LYS A 63 8.122 -10.436 -30.222 1.00 25.00 N ATOM 970 CA LYS A 63 8.621 -9.630 -31.337 1.00 25.00 C ATOM 971 C LYS A 63 8.180 -8.197 -31.073 1.00 25.00 C ATOM 972 O LYS A 63 6.987 -7.905 -31.036 1.00 25.00 O ATOM 973 CB LYS A 63 8.049 -10.157 -32.665 1.00 25.00 C ATOM 974 CG LYS A 63 8.860 -9.796 -33.927 1.00 25.00 C ATOM 975 CD LYS A 63 8.804 -8.308 -34.254 1.00 25.00 C ATOM 976 CE LYS A 63 9.558 -7.969 -35.526 1.00 25.00 C ATOM 977 NZ LYS A 63 9.554 -6.475 -35.724 1.00 25.00 N ATOM 0 H LYS A 63 7.108 -10.540 -30.199 1.00 25.00 H new ATOM 0 HA LYS A 63 9.707 -9.682 -31.415 1.00 25.00 H new ATOM 0 HB2 LYS A 63 7.972 -11.242 -32.602 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.036 -9.772 -32.783 1.00 25.00 H new ATOM 0 HG2 LYS A 63 9.899 -10.094 -33.784 1.00 25.00 H new ATOM 0 HG3 LYS A 63 8.479 -10.365 -34.775 1.00 25.00 H new ATOM 0 HD2 LYS A 63 7.764 -8.000 -34.358 1.00 25.00 H new ATOM 0 HD3 LYS A 63 9.223 -7.740 -33.424 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.582 -8.336 -35.464 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.094 -8.462 -36.380 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 8.882 -6.227 -36.478 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 9.269 -6.008 -34.839 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 10.508 -6.158 -35.991 1.00 25.00 H new ATOM 991 N ILE A 64 9.147 -7.309 -30.911 1.00 25.00 N ATOM 992 CA ILE A 64 8.879 -5.904 -30.606 1.00 25.00 C ATOM 993 C ILE A 64 8.206 -5.206 -31.785 1.00 25.00 C ATOM 994 O ILE A 64 8.654 -5.323 -32.938 1.00 25.00 O ATOM 995 CB ILE A 64 10.202 -5.142 -30.262 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.969 -5.866 -29.138 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.906 -3.693 -29.807 1.00 25.00 C ATOM 998 CD1 ILE A 64 12.114 -6.766 -29.640 1.00 25.00 C ATOM 0 H ILE A 64 10.139 -7.536 -30.986 1.00 25.00 H new ATOM 0 HA ILE A 64 8.213 -5.885 -29.743 1.00 25.00 H new ATOM 0 HB ILE A 64 10.809 -5.119 -31.167 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.378 -5.122 -28.454 1.00 25.00 H new ATOM 0 HG13 ILE A 64 10.267 -6.473 -28.566 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.843 -3.186 -29.574 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.393 -3.158 -30.606 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.274 -3.712 -28.919 1.00 25.00 H new ATOM 0 HD11 ILE A 64 12.604 -7.240 -28.789 1.00 25.00 H new ATOM 0 HD12 ILE A 64 11.711 -7.534 -30.300 1.00 25.00 H new ATOM 0 HD13 ILE A 64 12.839 -6.162 -30.186 1.00 25.00 H new