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= -0.148 X(o=-0.15,f=-0.57) 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= 0.37 K(o=0.37,f=-1.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -108:sc= -0.531 (180deg=-2.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -39:sc= 0.435 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 48 CYS SG : rot -20:sc= -1.13 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.322 K(o=0.32,f=-1.5) USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.705 2.558 -20.323 1.00 25.00 N ATOM 81 CA LEU A 6 9.918 2.086 -21.701 1.00 25.00 C ATOM 82 C LEU A 6 8.714 2.286 -22.626 1.00 25.00 C ATOM 83 O LEU A 6 8.862 2.797 -23.733 1.00 25.00 O ATOM 84 CB LEU A 6 10.275 0.593 -21.699 1.00 25.00 C ATOM 85 CG LEU A 6 11.566 0.180 -20.974 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.645 -1.333 -20.969 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.820 0.761 -21.647 1.00 25.00 C ATOM 0 HA LEU A 6 10.734 2.695 -22.090 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.445 0.048 -21.248 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.349 0.262 -22.735 1.00 25.00 H new ATOM 0 HG LEU A 6 11.535 0.575 -19.958 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.555 -1.648 -20.459 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.778 -1.741 -20.450 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.659 -1.700 -21.995 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.707 0.442 -21.100 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.880 0.404 -22.675 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.763 1.850 -21.644 1.00 25.00 H new ATOM 99 N ASN A 7 7.546 1.854 -22.164 1.00 25.00 N ATOM 100 CA ASN A 7 6.285 1.964 -22.910 1.00 25.00 C ATOM 101 C ASN A 7 6.355 1.518 -24.380 1.00 25.00 C ATOM 102 O ASN A 7 5.841 2.188 -25.277 1.00 25.00 O ATOM 103 CB ASN A 7 5.749 3.398 -22.822 1.00 25.00 C ATOM 104 CG ASN A 7 4.277 3.479 -23.157 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.487 2.656 -22.717 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.903 4.465 -23.923 1.00 25.00 N ATOM 0 H ASN A 7 7.440 1.412 -21.251 1.00 25.00 H new ATOM 0 HA ASN A 7 5.603 1.262 -22.429 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.913 3.784 -21.816 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.311 4.037 -23.504 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.920 4.570 -24.175 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.593 5.131 -24.270 1.00 25.00 H new ATOM 113 N VAL A 8 6.964 0.367 -24.616 1.00 25.00 N ATOM 114 CA VAL A 8 7.016 -0.221 -25.949 1.00 25.00 C ATOM 115 C VAL A 8 6.140 -1.453 -25.854 1.00 25.00 C ATOM 116 O VAL A 8 5.733 -1.827 -24.764 1.00 25.00 O ATOM 117 CB VAL A 8 8.466 -0.590 -26.374 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.310 0.677 -26.551 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.141 -1.529 -25.357 1.00 25.00 C ATOM 0 H VAL A 8 7.433 -0.184 -23.897 1.00 25.00 H new ATOM 0 HA VAL A 8 6.672 0.479 -26.710 1.00 25.00 H new ATOM 0 HB VAL A 8 8.400 -1.118 -27.325 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.322 0.402 -26.848 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.864 1.307 -27.321 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.345 1.225 -25.610 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.152 -1.762 -25.692 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.185 -1.040 -24.384 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.565 -2.451 -25.275 1.00 25.00 H new ATOM 129 N LEU A 9 5.826 -2.079 -26.975 1.00 25.00 N ATOM 130 CA LEU A 9 4.960 -3.254 -26.964 1.00 25.00 C ATOM 131 C LEU A 9 5.502 -4.289 -27.919 1.00 25.00 C ATOM 132 O LEU A 9 6.369 -3.996 -28.746 1.00 25.00 O ATOM 133 CB LEU A 9 3.518 -2.875 -27.325 1.00 25.00 C ATOM 134 CG LEU A 9 3.331 -2.093 -28.627 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.127 -2.619 -29.393 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.151 -0.615 -28.297 1.00 25.00 C ATOM 0 H LEU A 9 6.153 -1.799 -27.900 1.00 25.00 H new ATOM 0 HA LEU A 9 4.946 -3.674 -25.958 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.929 -3.790 -27.387 1.00 25.00 H new ATOM 0 HB3 LEU A 9 3.104 -2.284 -26.508 1.00 25.00 H new ATOM 0 HG LEU A 9 4.211 -2.219 -29.257 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.007 -2.052 -30.317 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.278 -3.672 -29.630 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.231 -2.510 -28.782 1.00 25.00 H new ATOM 0 HD21 LEU A 9 3.017 -0.050 -29.219 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.274 -0.488 -27.663 1.00 25.00 H new ATOM 0 HD23 LEU A 9 4.034 -0.249 -27.772 1.00 25.00 H new ATOM 148 N ALA A 10 5.013 -5.506 -27.775 1.00 25.00 N ATOM 149 CA ALA A 10 5.494 -6.625 -28.554 1.00 25.00 C ATOM 150 C ALA A 10 4.347 -7.580 -28.844 1.00 25.00 C ATOM 151 O ALA A 10 3.303 -7.514 -28.199 1.00 25.00 O ATOM 152 CB ALA A 10 6.597 -7.340 -27.769 1.00 25.00 C ATOM 0 H ALA A 10 4.272 -5.744 -27.115 1.00 25.00 H new ATOM 0 HA ALA A 10 5.898 -6.271 -29.503 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.966 -8.186 -28.349 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.416 -6.646 -27.578 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.195 -7.698 -26.821 1.00 25.00 H new ATOM 158 N LYS A 11 4.573 -8.481 -29.789 1.00 25.00 N ATOM 159 CA LYS A 11 3.620 -9.546 -30.094 1.00 25.00 C ATOM 160 C LYS A 11 4.278 -10.860 -29.756 1.00 25.00 C ATOM 161 O LYS A 11 5.446 -11.072 -30.094 1.00 25.00 O ATOM 162 CB LYS A 11 3.227 -9.531 -31.573 1.00 25.00 C ATOM 163 CG LYS A 11 2.143 -10.564 -31.908 1.00 25.00 C ATOM 164 CD LYS A 11 1.701 -10.513 -33.365 1.00 25.00 C ATOM 165 CE LYS A 11 2.718 -11.185 -34.277 1.00 25.00 C ATOM 166 NZ LYS A 11 2.198 -11.267 -35.686 1.00 25.00 N ATOM 0 H LYS A 11 5.415 -8.498 -30.364 1.00 25.00 H new ATOM 0 HA LYS A 11 2.711 -9.401 -29.511 1.00 25.00 H new ATOM 0 HB2 LYS A 11 2.870 -8.536 -31.840 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.110 -9.727 -32.181 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.518 -11.562 -31.683 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.278 -10.396 -31.266 1.00 25.00 H new ATOM 0 HD2 LYS A 11 0.734 -11.005 -33.471 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.566 -9.475 -33.670 1.00 25.00 H new ATOM 0 HE2 LYS A 11 3.653 -10.625 -34.261 1.00 25.00 H new ATOM 0 HE3 LYS A 11 2.940 -12.186 -33.907 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 2.907 -11.728 -36.291 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.318 -11.821 -35.700 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.009 -10.308 -36.043 1.00 25.00 H new ATOM 180 N ALA A 12 3.542 -11.749 -29.113 1.00 25.00 N ATOM 181 CA ALA A 12 4.060 -13.065 -28.784 1.00 25.00 C ATOM 182 C ALA A 12 4.154 -13.911 -30.047 1.00 25.00 C ATOM 183 O ALA A 12 3.233 -13.949 -30.867 1.00 25.00 O ATOM 184 CB ALA A 12 3.165 -13.732 -27.772 1.00 25.00 C ATOM 0 H ALA A 12 2.583 -11.583 -28.808 1.00 25.00 H new ATOM 0 HA ALA A 12 5.056 -12.962 -28.354 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.561 -14.719 -27.531 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.124 -13.126 -26.867 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.162 -13.835 -28.185 1.00 25.00 H new ATOM 190 N LEU A 13 5.274 -14.596 -30.182 1.00 25.00 N ATOM 191 CA LEU A 13 5.517 -15.478 -31.314 1.00 25.00 C ATOM 192 C LEU A 13 5.042 -16.886 -30.969 1.00 25.00 C ATOM 193 O LEU A 13 4.623 -17.643 -31.838 1.00 25.00 O ATOM 194 CB LEU A 13 7.017 -15.517 -31.621 1.00 25.00 C ATOM 195 CG LEU A 13 7.669 -14.188 -32.040 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.186 -14.364 -32.077 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.150 -13.731 -33.416 1.00 25.00 C ATOM 0 H LEU A 13 6.042 -14.559 -29.512 1.00 25.00 H new ATOM 0 HA LEU A 13 4.975 -15.107 -32.184 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.536 -15.887 -30.737 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.183 -16.244 -32.416 1.00 25.00 H new ATOM 0 HG LEU A 13 7.407 -13.419 -31.313 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.654 -13.425 -32.373 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.543 -14.651 -31.088 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.445 -15.141 -32.796 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.626 -12.789 -33.690 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.386 -14.488 -34.164 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.070 -13.592 -33.370 1.00 25.00 H new ATOM 209 N TYR A 14 5.114 -17.211 -29.685 1.00 25.00 N ATOM 210 CA TYR A 14 4.746 -18.534 -29.184 1.00 25.00 C ATOM 211 C TYR A 14 3.795 -18.341 -28.019 1.00 25.00 C ATOM 212 O TYR A 14 3.771 -17.269 -27.422 1.00 25.00 O ATOM 213 CB TYR A 14 5.998 -19.278 -28.712 1.00 25.00 C ATOM 214 CG TYR A 14 7.155 -19.183 -29.684 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.197 -18.263 -29.459 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.216 -19.994 -30.832 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.288 -18.156 -30.356 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.308 -19.885 -31.742 1.00 25.00 C ATOM 219 CZ TYR A 14 9.332 -18.966 -31.490 1.00 25.00 C ATOM 220 OH TYR A 14 10.387 -18.852 -32.360 1.00 25.00 O ATOM 0 H TYR A 14 5.429 -16.567 -28.959 1.00 25.00 H new ATOM 0 HA TYR A 14 4.272 -19.120 -29.971 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.309 -18.876 -27.748 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.750 -20.328 -28.555 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.164 -17.627 -28.587 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.428 -20.706 -31.026 1.00 25.00 H new ATOM 0 HE1 TYR A 14 10.082 -17.450 -30.162 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.344 -20.509 -32.622 1.00 25.00 H new ATOM 0 HH TYR A 14 10.272 -19.485 -33.099 1.00 25.00 H new ATOM 230 N ASP A 15 3.005 -19.349 -27.689 1.00 25.00 N ATOM 231 CA ASP A 15 2.098 -19.254 -26.549 1.00 25.00 C ATOM 232 C ASP A 15 2.810 -19.691 -25.277 1.00 25.00 C ATOM 233 O ASP A 15 3.797 -20.426 -25.323 1.00 25.00 O ATOM 234 CB ASP A 15 0.814 -20.073 -26.779 1.00 25.00 C ATOM 235 CG ASP A 15 1.080 -21.486 -27.275 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.723 -22.430 -26.556 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.478 -21.641 -28.463 1.00 25.00 O ATOM 0 H ASP A 15 2.970 -20.238 -28.188 1.00 25.00 H new ATOM 0 HA ASP A 15 1.797 -18.212 -26.438 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.252 -20.123 -25.847 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.186 -19.554 -27.503 1.00 25.00 H new ATOM 242 N ASN A 16 2.353 -19.159 -24.154 1.00 25.00 N ATOM 243 CA ASN A 16 2.966 -19.412 -22.860 1.00 25.00 C ATOM 244 C ASN A 16 1.890 -19.312 -21.780 1.00 25.00 C ATOM 245 O ASN A 16 1.651 -18.238 -21.218 1.00 25.00 O ATOM 246 CB ASN A 16 4.069 -18.376 -22.607 1.00 25.00 C ATOM 247 CG ASN A 16 4.992 -18.755 -21.471 1.00 25.00 C ATOM 248 OD1 ASN A 16 6.159 -19.036 -21.701 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.503 -18.736 -20.264 1.00 25.00 N ATOM 0 H ASN A 16 1.545 -18.538 -24.115 1.00 25.00 H new ATOM 0 HA ASN A 16 3.409 -20.408 -22.840 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.656 -18.250 -23.517 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.610 -17.412 -22.388 1.00 25.00 H new ATOM 0 HD21 ASN A 16 5.100 -18.961 -19.468 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.523 -18.496 -20.115 1.00 25.00 H new ATOM 256 N VAL A 17 1.206 -20.411 -21.516 1.00 25.00 N ATOM 257 CA VAL A 17 0.225 -20.429 -20.436 1.00 25.00 C ATOM 258 C VAL A 17 1.071 -20.509 -19.176 1.00 25.00 C ATOM 259 O VAL A 17 1.911 -21.387 -19.062 1.00 25.00 O ATOM 260 CB VAL A 17 -0.745 -21.637 -20.537 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.722 -21.643 -19.347 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.539 -21.571 -21.864 1.00 25.00 C ATOM 0 H VAL A 17 1.306 -21.291 -22.023 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.422 -19.552 -20.462 1.00 25.00 H new ATOM 0 HB VAL A 17 -0.158 -22.555 -20.515 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -2.395 -22.496 -19.433 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -1.161 -21.716 -18.416 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -2.303 -20.721 -19.349 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -2.217 -22.423 -21.925 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -2.115 -20.646 -21.898 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.846 -21.598 -22.705 1.00 25.00 H new ATOM 272 N ALA A 18 0.915 -19.532 -18.297 1.00 25.00 N ATOM 273 CA ALA A 18 1.764 -19.422 -17.122 1.00 25.00 C ATOM 274 C ALA A 18 1.475 -20.533 -16.121 1.00 25.00 C ATOM 275 O ALA A 18 0.321 -20.928 -15.933 1.00 25.00 O ATOM 276 CB ALA A 18 1.551 -18.063 -16.460 1.00 25.00 C ATOM 0 H ALA A 18 0.207 -18.802 -18.376 1.00 25.00 H new ATOM 0 HA ALA A 18 2.801 -19.519 -17.443 1.00 25.00 H new ATOM 0 HB1 ALA A 18 2.189 -17.983 -15.580 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.805 -17.271 -17.165 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.507 -17.963 -16.162 1.00 25.00 H new ATOM 282 N GLU A 19 2.524 -20.974 -15.445 1.00 25.00 N ATOM 283 CA GLU A 19 2.401 -21.965 -14.378 1.00 25.00 C ATOM 284 C GLU A 19 2.752 -21.334 -13.028 1.00 25.00 C ATOM 285 O GLU A 19 2.369 -21.842 -11.977 1.00 25.00 O ATOM 286 CB GLU A 19 3.296 -23.177 -14.672 1.00 25.00 C ATOM 287 CG GLU A 19 4.800 -22.883 -14.702 1.00 25.00 C ATOM 288 CD GLU A 19 5.612 -24.099 -15.115 1.00 25.00 C ATOM 289 OE1 GLU A 19 5.503 -24.530 -16.287 1.00 25.00 O ATOM 290 OE2 GLU A 19 6.350 -24.638 -14.263 1.00 25.00 O ATOM 0 H GLU A 19 3.480 -20.660 -15.616 1.00 25.00 H new ATOM 0 HA GLU A 19 1.369 -22.311 -14.332 1.00 25.00 H new ATOM 0 HB2 GLU A 19 3.106 -23.941 -13.918 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.005 -23.599 -15.634 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.995 -22.065 -15.395 1.00 25.00 H new ATOM 0 HG3 GLU A 19 5.123 -22.549 -13.716 1.00 25.00 H new ATOM 297 N SER A 20 3.439 -20.199 -13.061 1.00 25.00 N ATOM 298 CA SER A 20 3.790 -19.471 -11.836 1.00 25.00 C ATOM 299 C SER A 20 2.893 -18.238 -11.696 1.00 25.00 C ATOM 300 O SER A 20 2.457 -17.679 -12.694 1.00 25.00 O ATOM 301 CB SER A 20 5.256 -19.042 -11.896 1.00 25.00 C ATOM 302 OG SER A 20 6.095 -20.174 -11.974 1.00 25.00 O ATOM 0 H SER A 20 3.767 -19.758 -13.920 1.00 25.00 H new ATOM 0 HA SER A 20 3.642 -20.121 -10.974 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.419 -18.400 -12.762 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.507 -18.455 -11.012 1.00 25.00 H new ATOM 0 HG SER A 20 7.031 -19.886 -12.014 1.00 25.00 H new ATOM 308 N PRO A 21 2.613 -17.790 -10.456 1.00 25.00 N ATOM 309 CA PRO A 21 1.729 -16.624 -10.338 1.00 25.00 C ATOM 310 C PRO A 21 2.379 -15.294 -10.732 1.00 25.00 C ATOM 311 O PRO A 21 1.692 -14.333 -11.059 1.00 25.00 O ATOM 312 CB PRO A 21 1.362 -16.626 -8.852 1.00 25.00 C ATOM 313 CG PRO A 21 2.557 -17.204 -8.187 1.00 25.00 C ATOM 314 CD PRO A 21 3.020 -18.294 -9.126 1.00 25.00 C ATOM 0 HA PRO A 21 0.882 -16.702 -11.020 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.153 -15.619 -8.491 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.471 -17.224 -8.662 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.332 -16.452 -8.039 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.310 -17.605 -7.204 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.098 -18.446 -9.066 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.549 -19.250 -8.896 1.00 25.00 H new ATOM 322 N ASP A 22 3.706 -15.249 -10.698 1.00 25.00 N ATOM 323 CA ASP A 22 4.459 -14.044 -11.049 1.00 25.00 C ATOM 324 C ASP A 22 4.597 -13.939 -12.567 1.00 25.00 C ATOM 325 O ASP A 22 4.994 -12.910 -13.111 1.00 25.00 O ATOM 326 CB ASP A 22 5.857 -14.123 -10.432 1.00 25.00 C ATOM 327 CG ASP A 22 5.821 -14.179 -8.923 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.177 -15.240 -8.366 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.409 -13.187 -8.292 1.00 25.00 O ATOM 0 H ASP A 22 4.290 -16.040 -10.428 1.00 25.00 H new ATOM 0 HA ASP A 22 3.929 -13.171 -10.669 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.369 -15.006 -10.813 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.439 -13.257 -10.746 1.00 25.00 H new ATOM 334 N GLU A 23 4.317 -15.042 -13.234 1.00 25.00 N ATOM 335 CA GLU A 23 4.465 -15.166 -14.678 1.00 25.00 C ATOM 336 C GLU A 23 3.186 -14.746 -15.401 1.00 25.00 C ATOM 337 O GLU A 23 2.080 -15.035 -14.954 1.00 25.00 O ATOM 338 CB GLU A 23 4.777 -16.630 -14.976 1.00 25.00 C ATOM 339 CG GLU A 23 5.181 -16.931 -16.396 1.00 25.00 C ATOM 340 CD GLU A 23 5.303 -18.432 -16.644 1.00 25.00 C ATOM 341 OE1 GLU A 23 4.830 -19.235 -15.796 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.816 -18.814 -17.719 1.00 25.00 O ATOM 0 H GLU A 23 3.975 -15.892 -12.785 1.00 25.00 H new ATOM 0 HA GLU A 23 5.264 -14.514 -15.029 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.578 -16.955 -14.312 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.899 -17.228 -14.732 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.446 -16.508 -17.081 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.134 -16.448 -16.613 1.00 25.00 H new ATOM 349 N LEU A 24 3.324 -14.056 -16.523 1.00 25.00 N ATOM 350 CA LEU A 24 2.152 -13.633 -17.273 1.00 25.00 C ATOM 351 C LEU A 24 1.728 -14.700 -18.281 1.00 25.00 C ATOM 352 O LEU A 24 2.499 -15.095 -19.144 1.00 25.00 O ATOM 353 CB LEU A 24 2.434 -12.322 -18.006 1.00 25.00 C ATOM 354 CG LEU A 24 1.385 -11.222 -17.804 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.845 -9.980 -18.540 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.002 -11.643 -18.298 1.00 25.00 C ATOM 0 H LEU A 24 4.219 -13.781 -16.928 1.00 25.00 H new ATOM 0 HA LEU A 24 1.339 -13.483 -16.562 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.402 -11.943 -17.679 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.517 -12.531 -19.073 1.00 25.00 H new ATOM 0 HG LEU A 24 1.292 -11.026 -16.736 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.110 -9.186 -18.408 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.806 -9.656 -18.141 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.950 -10.204 -19.602 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.709 -10.830 -18.133 1.00 25.00 H new ATOM 0 HD22 LEU A 24 0.045 -11.872 -19.363 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.330 -12.527 -17.751 1.00 25.00 H new ATOM 368 N SER A 25 0.476 -15.123 -18.197 1.00 25.00 N ATOM 369 CA SER A 25 -0.082 -16.053 -19.175 1.00 25.00 C ATOM 370 C SER A 25 -0.491 -15.289 -20.430 1.00 25.00 C ATOM 371 O SER A 25 -1.335 -14.396 -20.365 1.00 25.00 O ATOM 372 CB SER A 25 -1.309 -16.757 -18.596 1.00 25.00 C ATOM 373 OG SER A 25 -1.878 -17.644 -19.543 1.00 25.00 O ATOM 0 H SER A 25 -0.174 -14.839 -17.464 1.00 25.00 H new ATOM 0 HA SER A 25 0.675 -16.797 -19.423 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.027 -17.309 -17.699 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.050 -16.016 -18.295 1.00 25.00 H new ATOM 0 HG SER A 25 -2.660 -18.084 -19.150 1.00 25.00 H new ATOM 379 N PHE A 26 0.079 -15.655 -21.569 1.00 25.00 N ATOM 380 CA PHE A 26 -0.248 -15.031 -22.857 1.00 25.00 C ATOM 381 C PHE A 26 -0.221 -16.108 -23.930 1.00 25.00 C ATOM 382 O PHE A 26 0.241 -17.220 -23.685 1.00 25.00 O ATOM 383 CB PHE A 26 0.755 -13.917 -23.197 1.00 25.00 C ATOM 384 CG PHE A 26 2.183 -14.393 -23.307 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.030 -14.349 -22.188 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.693 -14.878 -24.527 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.366 -14.786 -22.275 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.047 -15.309 -24.632 1.00 25.00 C ATOM 389 CZ PHE A 26 4.884 -15.259 -23.504 1.00 25.00 C ATOM 0 H PHE A 26 0.782 -16.392 -21.634 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.238 -14.578 -22.802 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.463 -13.454 -24.140 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.698 -13.144 -22.431 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.652 -13.975 -21.248 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.050 -14.924 -25.393 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.998 -14.760 -21.400 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.429 -15.673 -25.575 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.913 -15.579 -23.575 1.00 25.00 H new ATOM 399 N ARG A 27 -0.714 -15.799 -25.123 1.00 25.00 N ATOM 400 CA ARG A 27 -0.730 -16.786 -26.213 1.00 25.00 C ATOM 401 C ARG A 27 -0.126 -16.211 -27.486 1.00 25.00 C ATOM 402 O ARG A 27 0.087 -15.016 -27.586 1.00 25.00 O ATOM 403 CB ARG A 27 -2.158 -17.308 -26.432 1.00 25.00 C ATOM 404 CG ARG A 27 -2.662 -18.084 -25.205 1.00 25.00 C ATOM 405 CD ARG A 27 -3.976 -18.799 -25.433 1.00 25.00 C ATOM 406 NE ARG A 27 -4.371 -19.532 -24.217 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.419 -20.340 -24.106 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.231 -20.568 -25.107 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.644 -20.934 -22.968 1.00 25.00 N ATOM 0 H ARG A 27 -1.104 -14.888 -25.366 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.106 -17.634 -25.929 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.826 -16.471 -26.636 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.181 -17.955 -27.309 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -1.907 -18.814 -24.913 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.775 -17.392 -24.370 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.749 -18.079 -25.700 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -3.882 -19.491 -26.270 1.00 25.00 H new ATOM 0 HE ARG A 27 -3.789 -19.408 -23.389 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -6.068 -20.119 -26.008 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.026 -21.195 -24.986 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -5.019 -20.775 -22.178 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.445 -21.557 -22.868 1.00 25.00 H new ATOM 423 N LYS A 28 0.202 -17.073 -28.436 1.00 25.00 N ATOM 424 CA LYS A 28 0.831 -16.637 -29.684 1.00 25.00 C ATOM 425 C LYS A 28 -0.106 -15.705 -30.432 1.00 25.00 C ATOM 426 O LYS A 28 -1.299 -15.960 -30.539 1.00 25.00 O ATOM 427 CB LYS A 28 1.215 -17.847 -30.556 1.00 25.00 C ATOM 428 CG LYS A 28 0.099 -18.861 -30.811 1.00 25.00 C ATOM 429 CD LYS A 28 0.678 -20.137 -31.396 1.00 25.00 C ATOM 430 CE LYS A 28 -0.380 -21.228 -31.493 1.00 25.00 C ATOM 431 NZ LYS A 28 0.260 -22.578 -31.667 1.00 25.00 N ATOM 0 H LYS A 28 0.045 -18.079 -28.372 1.00 25.00 H new ATOM 0 HA LYS A 28 1.748 -16.097 -29.447 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.574 -17.479 -31.517 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.049 -18.364 -30.081 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.422 -19.082 -29.879 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.637 -18.439 -31.495 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.086 -19.934 -32.386 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.505 -20.482 -30.775 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.995 -21.225 -30.593 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -1.043 -21.024 -32.333 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.479 -23.307 -31.731 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.828 -22.583 -32.538 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.874 -22.779 -30.852 1.00 25.00 H new ATOM 445 N GLY A 29 0.449 -14.605 -30.914 1.00 25.00 N ATOM 446 CA GLY A 29 -0.327 -13.597 -31.617 1.00 25.00 C ATOM 447 C GLY A 29 -0.844 -12.495 -30.712 1.00 25.00 C ATOM 448 O GLY A 29 -1.288 -11.466 -31.209 1.00 25.00 O ATOM 0 H GLY A 29 1.442 -14.387 -30.830 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.290 -13.155 -32.400 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.172 -14.078 -32.110 1.00 25.00 H new ATOM 452 N ASP A 30 -0.782 -12.700 -29.404 1.00 25.00 N ATOM 453 CA ASP A 30 -1.284 -11.721 -28.433 1.00 25.00 C ATOM 454 C ASP A 30 -0.319 -10.540 -28.296 1.00 25.00 C ATOM 455 O ASP A 30 0.868 -10.657 -28.634 1.00 25.00 O ATOM 456 CB ASP A 30 -1.479 -12.409 -27.080 1.00 25.00 C ATOM 457 CG ASP A 30 -2.588 -11.795 -26.261 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.021 -12.464 -25.299 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.051 -10.679 -26.578 1.00 25.00 O ATOM 0 H ASP A 30 -0.387 -13.540 -28.982 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.239 -11.331 -28.785 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.697 -13.464 -27.243 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.548 -12.359 -26.516 1.00 25.00 H new ATOM 464 N ILE A 31 -0.832 -9.409 -27.834 1.00 25.00 N ATOM 465 CA ILE A 31 -0.070 -8.156 -27.742 1.00 25.00 C ATOM 466 C ILE A 31 0.067 -7.704 -26.293 1.00 25.00 C ATOM 467 O ILE A 31 -0.933 -7.542 -25.595 1.00 25.00 O ATOM 468 CB ILE A 31 -0.808 -7.001 -28.516 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.139 -7.414 -29.968 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.033 -5.687 -28.492 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.063 -7.695 -30.855 1.00 25.00 C ATOM 0 H ILE A 31 -1.795 -9.326 -27.508 1.00 25.00 H new ATOM 0 HA ILE A 31 0.911 -8.350 -28.175 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.751 -6.812 -28.002 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.765 -8.306 -29.941 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.731 -6.622 -30.427 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.499 -4.905 -29.033 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.188 -5.373 -27.460 1.00 25.00 H new ATOM 0 HG23 ILE A 31 0.998 -5.864 -28.966 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.278 -7.976 -31.851 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.683 -6.801 -30.922 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.648 -8.510 -30.428 1.00 25.00 H new ATOM 483 N MET A 32 1.293 -7.462 -25.851 1.00 25.00 N ATOM 484 CA MET A 32 1.552 -6.987 -24.490 1.00 25.00 C ATOM 485 C MET A 32 2.453 -5.765 -24.491 1.00 25.00 C ATOM 486 O MET A 32 3.338 -5.618 -25.341 1.00 25.00 O ATOM 487 CB MET A 32 2.191 -8.083 -23.619 1.00 25.00 C ATOM 488 CG MET A 32 3.543 -8.633 -24.105 1.00 25.00 C ATOM 489 SD MET A 32 3.435 -9.638 -25.608 1.00 25.00 S ATOM 490 CE MET A 32 2.513 -11.078 -25.039 1.00 25.00 C ATOM 0 H MET A 32 2.133 -7.587 -26.416 1.00 25.00 H new ATOM 0 HA MET A 32 0.584 -6.718 -24.067 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.324 -7.687 -22.612 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.490 -8.914 -23.544 1.00 25.00 H new ATOM 0 HG2 MET A 32 4.219 -7.797 -24.287 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.986 -9.233 -23.310 1.00 25.00 H new ATOM 0 HE1 MET A 32 3.181 -11.937 -24.979 1.00 25.00 H new ATOM 0 HE2 MET A 32 2.093 -10.875 -24.054 1.00 25.00 H new ATOM 0 HE3 MET A 32 1.706 -11.294 -25.740 1.00 25.00 H new ATOM 500 N THR A 33 2.234 -4.898 -23.516 1.00 25.00 N ATOM 501 CA THR A 33 3.071 -3.715 -23.335 1.00 25.00 C ATOM 502 C THR A 33 4.240 -4.118 -22.449 1.00 25.00 C ATOM 503 O THR A 33 4.032 -4.709 -21.399 1.00 25.00 O ATOM 504 CB THR A 33 2.286 -2.573 -22.654 1.00 25.00 C ATOM 505 OG1 THR A 33 1.074 -2.337 -23.373 1.00 25.00 O ATOM 506 CG2 THR A 33 3.087 -1.278 -22.629 1.00 25.00 C ATOM 0 H THR A 33 1.482 -4.989 -22.833 1.00 25.00 H new ATOM 0 HA THR A 33 3.409 -3.353 -24.306 1.00 25.00 H new ATOM 0 HB THR A 33 2.080 -2.878 -21.628 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.573 -1.614 -22.941 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.502 -0.498 -22.142 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.014 -1.434 -22.077 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.319 -0.974 -23.650 1.00 25.00 H new ATOM 514 N VAL A 34 5.457 -3.797 -22.860 1.00 25.00 N ATOM 515 CA VAL A 34 6.654 -4.088 -22.062 1.00 25.00 C ATOM 516 C VAL A 34 6.974 -2.851 -21.237 1.00 25.00 C ATOM 517 O VAL A 34 7.097 -1.740 -21.765 1.00 25.00 O ATOM 518 CB VAL A 34 7.873 -4.460 -22.959 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.156 -4.618 -22.123 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.603 -5.772 -23.724 1.00 25.00 C ATOM 0 H VAL A 34 5.650 -3.331 -23.747 1.00 25.00 H new ATOM 0 HA VAL A 34 6.457 -4.947 -21.421 1.00 25.00 H new ATOM 0 HB VAL A 34 8.014 -3.645 -23.669 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.988 -4.877 -22.778 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.375 -3.680 -21.612 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.015 -5.408 -21.386 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.465 -6.015 -24.345 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.429 -6.579 -23.012 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.724 -5.650 -24.356 1.00 25.00 H new ATOM 530 N LEU A 35 7.051 -3.047 -19.930 1.00 25.00 N ATOM 531 CA LEU A 35 7.242 -1.954 -18.987 1.00 25.00 C ATOM 532 C LEU A 35 8.693 -1.835 -18.547 1.00 25.00 C ATOM 533 O LEU A 35 9.221 -0.731 -18.440 1.00 25.00 O ATOM 534 CB LEU A 35 6.371 -2.203 -17.749 1.00 25.00 C ATOM 535 CG LEU A 35 4.879 -2.492 -17.994 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.211 -2.782 -16.657 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.161 -1.336 -18.701 1.00 25.00 C ATOM 0 H LEU A 35 6.983 -3.966 -19.493 1.00 25.00 H new ATOM 0 HA LEU A 35 6.959 -1.027 -19.485 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.794 -3.045 -17.200 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.445 -1.330 -17.101 1.00 25.00 H new ATOM 0 HG LEU A 35 4.807 -3.355 -18.656 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.153 -2.989 -16.816 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.684 -3.648 -16.194 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.317 -1.917 -16.002 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.112 -1.595 -18.848 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.231 -0.436 -18.090 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.629 -1.154 -19.669 1.00 25.00 H new ATOM 549 N GLU A 36 9.326 -2.977 -18.300 1.00 25.00 N ATOM 550 CA GLU A 36 10.706 -3.030 -17.803 1.00 25.00 C ATOM 551 C GLU A 36 11.394 -4.282 -18.376 1.00 25.00 C ATOM 552 O GLU A 36 10.711 -5.215 -18.807 1.00 25.00 O ATOM 553 CB GLU A 36 10.690 -3.064 -16.261 1.00 25.00 C ATOM 554 CG GLU A 36 12.061 -2.956 -15.578 1.00 25.00 C ATOM 555 CD GLU A 36 12.843 -1.731 -16.038 1.00 25.00 C ATOM 556 OE1 GLU A 36 12.798 -0.693 -15.343 1.00 25.00 O ATOM 557 OE2 GLU A 36 13.439 -1.784 -17.144 1.00 25.00 O ATOM 0 H GLU A 36 8.901 -3.894 -18.437 1.00 25.00 H new ATOM 0 HA GLU A 36 11.262 -2.148 -18.122 1.00 25.00 H new ATOM 0 HB2 GLU A 36 10.062 -2.248 -15.904 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.218 -3.993 -15.941 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.923 -2.912 -14.498 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.641 -3.854 -15.789 1.00 25.00 H new ATOM 564 N ARG A 37 12.722 -4.311 -18.381 1.00 25.00 N ATOM 565 CA ARG A 37 13.499 -5.474 -18.840 1.00 25.00 C ATOM 566 C ARG A 37 14.504 -5.824 -17.752 1.00 25.00 C ATOM 567 O ARG A 37 14.858 -4.967 -16.964 1.00 25.00 O ATOM 568 CB ARG A 37 14.243 -5.161 -20.137 1.00 25.00 C ATOM 569 CG ARG A 37 13.331 -4.856 -21.307 1.00 25.00 C ATOM 570 CD ARG A 37 14.124 -4.826 -22.610 1.00 25.00 C ATOM 571 NE ARG A 37 14.074 -3.503 -23.251 1.00 25.00 N ATOM 572 CZ ARG A 37 13.144 -3.100 -24.108 1.00 25.00 C ATOM 573 NH1 ARG A 37 12.148 -3.873 -24.474 1.00 25.00 N ATOM 574 NH2 ARG A 37 13.215 -1.896 -24.608 1.00 25.00 N ATOM 0 H ARG A 37 13.299 -3.530 -18.067 1.00 25.00 H new ATOM 0 HA ARG A 37 12.824 -6.308 -19.034 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.902 -4.309 -19.970 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.878 -6.009 -20.395 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.546 -5.610 -21.370 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.839 -3.896 -21.152 1.00 25.00 H new ATOM 0 HD2 ARG A 37 15.162 -5.094 -22.410 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.727 -5.576 -23.294 1.00 25.00 H new ATOM 0 HE ARG A 37 14.814 -2.841 -23.018 1.00 25.00 H new ATOM 0 HH11 ARG A 37 12.071 -4.818 -24.097 1.00 25.00 H new ATOM 0 HH12 ARG A 37 11.452 -3.529 -25.135 1.00 25.00 H new ATOM 0 HH21 ARG A 37 13.979 -1.276 -24.339 1.00 25.00 H new ATOM 0 HH22 ARG A 37 12.506 -1.575 -25.268 1.00 25.00 H new ATOM 588 N ASP A 38 14.922 -7.088 -17.713 1.00 25.00 N ATOM 589 CA ASP A 38 15.820 -7.616 -16.668 1.00 25.00 C ATOM 590 C ASP A 38 15.183 -7.344 -15.305 1.00 25.00 C ATOM 591 O ASP A 38 15.808 -6.924 -14.336 1.00 25.00 O ATOM 592 CB ASP A 38 17.236 -7.030 -16.775 1.00 25.00 C ATOM 593 CG ASP A 38 18.260 -7.860 -16.019 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.848 -8.813 -15.318 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.470 -7.596 -16.155 1.00 25.00 O ATOM 0 H ASP A 38 14.650 -7.785 -18.406 1.00 25.00 H new ATOM 0 HA ASP A 38 15.941 -8.691 -16.801 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.524 -6.969 -17.825 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.236 -6.012 -16.385 1.00 25.00 H new ATOM 600 N THR A 39 13.874 -7.544 -15.281 1.00 25.00 N ATOM 601 CA THR A 39 13.042 -7.179 -14.142 1.00 25.00 C ATOM 602 C THR A 39 13.246 -8.062 -12.907 1.00 25.00 C ATOM 603 O THR A 39 12.682 -7.791 -11.851 1.00 25.00 O ATOM 604 CB THR A 39 11.553 -7.226 -14.559 1.00 25.00 C ATOM 605 OG1 THR A 39 10.737 -6.725 -13.500 1.00 25.00 O ATOM 606 CG2 THR A 39 11.104 -8.659 -14.898 1.00 25.00 C ATOM 0 H THR A 39 13.356 -7.965 -16.052 1.00 25.00 H new ATOM 0 HA THR A 39 13.345 -6.172 -13.854 1.00 25.00 H new ATOM 0 HB THR A 39 11.441 -6.607 -15.449 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.091 -7.034 -12.640 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.053 -8.652 -15.186 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.704 -9.043 -15.723 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.237 -9.298 -14.025 1.00 25.00 H new ATOM 614 N GLN A 40 14.011 -9.137 -13.050 1.00 25.00 N ATOM 615 CA GLN A 40 14.194 -10.095 -11.963 1.00 25.00 C ATOM 616 C GLN A 40 15.654 -10.529 -11.793 1.00 25.00 C ATOM 617 O GLN A 40 15.942 -11.497 -11.102 1.00 25.00 O ATOM 618 CB GLN A 40 13.303 -11.315 -12.236 1.00 25.00 C ATOM 619 CG GLN A 40 12.760 -11.986 -10.973 1.00 25.00 C ATOM 620 CD GLN A 40 11.761 -13.071 -11.291 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.942 -13.839 -12.218 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.690 -13.125 -10.537 1.00 25.00 N ATOM 0 H GLN A 40 14.515 -9.369 -13.906 1.00 25.00 H new ATOM 0 HA GLN A 40 13.910 -9.609 -11.029 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.464 -11.007 -12.860 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.873 -12.048 -12.807 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.587 -12.411 -10.405 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.289 -11.235 -10.338 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.573 -12.464 -9.769 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.973 -13.828 -10.718 1.00 25.00 H new ATOM 631 N GLY A 41 16.575 -9.827 -12.438 1.00 25.00 N ATOM 632 CA GLY A 41 17.978 -10.225 -12.384 1.00 25.00 C ATOM 633 C GLY A 41 18.259 -11.332 -13.379 1.00 25.00 C ATOM 634 O GLY A 41 19.279 -12.021 -13.312 1.00 25.00 O ATOM 0 H GLY A 41 16.384 -8.994 -12.995 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.613 -9.366 -12.599 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.227 -10.562 -11.378 1.00 25.00 H new ATOM 638 N LEU A 42 17.330 -11.498 -14.309 1.00 25.00 N ATOM 639 CA LEU A 42 17.455 -12.457 -15.393 1.00 25.00 C ATOM 640 C LEU A 42 17.335 -11.666 -16.684 1.00 25.00 C ATOM 641 O LEU A 42 16.240 -11.186 -17.035 1.00 25.00 O ATOM 642 CB LEU A 42 16.324 -13.497 -15.312 1.00 25.00 C ATOM 643 CG LEU A 42 16.269 -14.370 -14.050 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.991 -15.207 -14.077 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.489 -15.286 -13.941 1.00 25.00 C ATOM 0 H LEU A 42 16.461 -10.965 -14.331 1.00 25.00 H new ATOM 0 HA LEU A 42 18.404 -12.990 -15.339 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.373 -12.971 -15.402 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.407 -14.156 -16.176 1.00 25.00 H new ATOM 0 HG LEU A 42 16.272 -13.715 -13.179 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.945 -15.830 -13.184 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.124 -14.547 -14.104 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.991 -15.842 -14.963 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.413 -15.887 -13.035 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.530 -15.943 -14.810 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.395 -14.682 -13.900 1.00 25.00 H new ATOM 657 N ASP A 43 18.429 -11.555 -17.418 1.00 25.00 N ATOM 658 CA ASP A 43 18.394 -10.851 -18.691 1.00 25.00 C ATOM 659 C ASP A 43 17.506 -11.651 -19.634 1.00 25.00 C ATOM 660 O ASP A 43 17.446 -12.885 -19.587 1.00 25.00 O ATOM 661 CB ASP A 43 19.791 -10.667 -19.293 1.00 25.00 C ATOM 662 CG ASP A 43 19.792 -9.702 -20.487 1.00 25.00 C ATOM 663 OD1 ASP A 43 18.773 -8.987 -20.700 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.790 -9.688 -21.240 1.00 25.00 O ATOM 0 H ASP A 43 19.340 -11.936 -17.161 1.00 25.00 H new ATOM 0 HA ASP A 43 17.996 -9.848 -18.536 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.468 -10.291 -18.525 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.177 -11.635 -19.612 1.00 25.00 H new ATOM 669 N GLY A 44 16.776 -10.933 -20.461 1.00 25.00 N ATOM 670 CA GLY A 44 15.838 -11.550 -21.379 1.00 25.00 C ATOM 671 C GLY A 44 14.439 -11.679 -20.804 1.00 25.00 C ATOM 672 O GLY A 44 13.496 -11.837 -21.561 1.00 25.00 O ATOM 0 H GLY A 44 16.814 -9.915 -20.517 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.795 -10.961 -22.295 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.204 -12.539 -21.653 1.00 25.00 H new ATOM 676 N TRP A 45 14.271 -11.570 -19.493 1.00 25.00 N ATOM 677 CA TRP A 45 12.928 -11.603 -18.895 1.00 25.00 C ATOM 678 C TRP A 45 12.437 -10.179 -18.730 1.00 25.00 C ATOM 679 O TRP A 45 13.153 -9.314 -18.218 1.00 25.00 O ATOM 680 CB TRP A 45 12.941 -12.320 -17.549 1.00 25.00 C ATOM 681 CG TRP A 45 12.976 -13.800 -17.706 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.062 -14.587 -17.896 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.850 -14.702 -17.689 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.721 -15.905 -17.987 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.363 -16.020 -17.866 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.458 -14.529 -17.539 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.529 -17.159 -17.893 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.615 -15.669 -17.558 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.163 -16.975 -17.739 1.00 25.00 C ATOM 0 H TRP A 45 15.033 -11.459 -18.824 1.00 25.00 H new ATOM 0 HA TRP A 45 12.256 -12.156 -19.552 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.808 -11.996 -16.974 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.056 -12.037 -16.979 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.074 -14.217 -17.967 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.372 -16.678 -18.123 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.040 -13.541 -17.411 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.944 -18.147 -18.030 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.549 -15.548 -17.434 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.505 -17.831 -17.756 1.00 25.00 H new ATOM 700 N TRP A 46 11.242 -9.904 -19.228 1.00 25.00 N ATOM 701 CA TRP A 46 10.714 -8.550 -19.234 1.00 25.00 C ATOM 702 C TRP A 46 9.430 -8.501 -18.434 1.00 25.00 C ATOM 703 O TRP A 46 8.655 -9.450 -18.453 1.00 25.00 O ATOM 704 CB TRP A 46 10.420 -8.125 -20.675 1.00 25.00 C ATOM 705 CG TRP A 46 11.603 -8.217 -21.621 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.921 -8.396 -21.316 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.558 -8.150 -23.058 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.696 -8.450 -22.433 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.898 -8.305 -23.533 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.523 -7.986 -23.997 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.218 -8.297 -24.904 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.840 -7.987 -25.378 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.188 -8.140 -25.816 1.00 25.00 C ATOM 0 H TRP A 46 10.619 -10.602 -19.634 1.00 25.00 H new ATOM 0 HA TRP A 46 11.448 -7.876 -18.791 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.613 -8.746 -21.064 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.057 -7.097 -20.669 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.303 -8.484 -20.310 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.708 -8.578 -22.447 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.501 -7.861 -23.670 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.240 -8.410 -25.236 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.052 -7.871 -26.107 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.409 -8.133 -26.873 1.00 25.00 H new ATOM 724 N LEU A 47 9.181 -7.387 -17.765 1.00 25.00 N ATOM 725 CA LEU A 47 7.923 -7.191 -17.061 1.00 25.00 C ATOM 726 C LEU A 47 6.943 -6.632 -18.071 1.00 25.00 C ATOM 727 O LEU A 47 7.114 -5.514 -18.560 1.00 25.00 O ATOM 728 CB LEU A 47 8.083 -6.201 -15.904 1.00 25.00 C ATOM 729 CG LEU A 47 6.814 -5.935 -15.076 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.386 -7.178 -14.295 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.069 -4.779 -14.111 1.00 25.00 C ATOM 0 H LEU A 47 9.832 -6.605 -17.694 1.00 25.00 H new ATOM 0 HA LEU A 47 7.578 -8.134 -16.638 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.860 -6.573 -15.236 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.437 -5.252 -16.308 1.00 25.00 H new ATOM 0 HG LEU A 47 6.007 -5.676 -15.761 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.487 -6.955 -13.721 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.180 -7.992 -14.990 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.186 -7.474 -13.616 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.170 -4.590 -13.524 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.891 -5.037 -13.443 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.328 -3.884 -14.676 1.00 25.00 H new ATOM 743 N CYS A 48 5.933 -7.412 -18.409 1.00 25.00 N ATOM 744 CA CYS A 48 4.924 -6.972 -19.356 1.00 25.00 C ATOM 745 C CYS A 48 3.593 -6.787 -18.646 1.00 25.00 C ATOM 746 O CYS A 48 3.420 -7.229 -17.513 1.00 25.00 O ATOM 747 CB CYS A 48 4.791 -8.001 -20.469 1.00 25.00 C ATOM 748 SG CYS A 48 6.357 -8.332 -21.293 1.00 25.00 S ATOM 0 H CYS A 48 5.789 -8.353 -18.042 1.00 25.00 H new ATOM 0 HA CYS A 48 5.223 -6.017 -19.788 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.398 -8.930 -20.055 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.066 -7.647 -21.202 1.00 25.00 H new ATOM 0 HG CYS A 48 7.179 -7.349 -21.075 1.00 25.00 H new ATOM 754 N SER A 49 2.647 -6.163 -19.331 1.00 25.00 N ATOM 755 CA SER A 49 1.282 -6.017 -18.838 1.00 25.00 C ATOM 756 C SER A 49 0.331 -6.496 -19.930 1.00 25.00 C ATOM 757 O SER A 49 0.491 -6.142 -21.108 1.00 25.00 O ATOM 758 CB SER A 49 0.983 -4.566 -18.465 1.00 25.00 C ATOM 759 OG SER A 49 -0.355 -4.426 -18.010 1.00 25.00 O ATOM 0 H SER A 49 2.803 -5.742 -20.247 1.00 25.00 H new ATOM 0 HA SER A 49 1.152 -6.614 -17.935 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.672 -4.237 -17.688 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.147 -3.923 -19.330 1.00 25.00 H new ATOM 0 HG SER A 49 -0.524 -3.490 -17.775 1.00 25.00 H new ATOM 765 N LEU A 50 -0.618 -7.339 -19.540 1.00 25.00 N ATOM 766 CA LEU A 50 -1.566 -7.957 -20.466 1.00 25.00 C ATOM 767 C LEU A 50 -2.802 -8.414 -19.689 1.00 25.00 C ATOM 768 O LEU A 50 -2.679 -8.916 -18.575 1.00 25.00 O ATOM 769 CB LEU A 50 -0.901 -9.170 -21.135 1.00 25.00 C ATOM 770 CG LEU A 50 -1.759 -9.972 -22.123 1.00 25.00 C ATOM 771 CD1 LEU A 50 -1.003 -10.159 -23.406 1.00 25.00 C ATOM 772 CD2 LEU A 50 -2.131 -11.333 -21.546 1.00 25.00 C ATOM 0 H LEU A 50 -0.754 -7.616 -18.568 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.861 -7.237 -21.229 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.012 -8.823 -21.661 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.563 -9.847 -20.351 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.678 -9.417 -22.311 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -1.612 -10.729 -24.108 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -0.769 -9.185 -23.836 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -0.077 -10.699 -23.207 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.739 -11.880 -22.267 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -1.224 -11.898 -21.333 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -2.697 -11.195 -20.625 1.00 25.00 H new ATOM 784 N HIS A 51 -3.983 -8.230 -20.272 1.00 25.00 N ATOM 785 CA HIS A 51 -5.257 -8.666 -19.663 1.00 25.00 C ATOM 786 C HIS A 51 -5.471 -8.067 -18.260 1.00 25.00 C ATOM 787 O HIS A 51 -6.055 -8.689 -17.379 1.00 25.00 O ATOM 788 CB HIS A 51 -5.313 -10.202 -19.622 1.00 25.00 C ATOM 789 CG HIS A 51 -6.700 -10.768 -19.687 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.668 -10.561 -18.741 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.288 -11.570 -20.619 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.765 -11.213 -19.108 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.588 -11.855 -20.245 1.00 25.00 N ATOM 0 H HIS A 51 -4.095 -7.776 -21.179 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.070 -8.293 -20.285 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.732 -10.598 -20.455 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.834 -10.548 -18.706 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -7.564 -10.000 -17.896 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.809 -11.930 -21.517 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.687 -11.217 -18.545 1.00 25.00 H new ATOM 801 N GLY A 52 -4.984 -6.850 -18.061 1.00 25.00 N ATOM 802 CA GLY A 52 -5.191 -6.161 -16.794 1.00 25.00 C ATOM 803 C GLY A 52 -4.247 -6.550 -15.669 1.00 25.00 C ATOM 804 O GLY A 52 -4.389 -6.040 -14.563 1.00 25.00 O ATOM 0 H GLY A 52 -4.449 -6.324 -18.752 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.099 -5.089 -16.966 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.214 -6.345 -16.465 1.00 25.00 H new ATOM 808 N ARG A 53 -3.276 -7.420 -15.928 1.00 25.00 N ATOM 809 CA ARG A 53 -2.300 -7.801 -14.902 1.00 25.00 C ATOM 810 C ARG A 53 -0.906 -7.616 -15.455 1.00 25.00 C ATOM 811 O ARG A 53 -0.719 -7.557 -16.668 1.00 25.00 O ATOM 812 CB ARG A 53 -2.512 -9.257 -14.445 1.00 25.00 C ATOM 813 CG ARG A 53 -1.995 -10.314 -15.428 1.00 25.00 C ATOM 814 CD ARG A 53 -2.404 -11.717 -15.019 1.00 25.00 C ATOM 815 NE ARG A 53 -3.834 -11.958 -15.276 1.00 25.00 N ATOM 816 CZ ARG A 53 -4.350 -12.367 -16.430 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.613 -12.616 -17.488 1.00 25.00 N ATOM 818 NH2 ARG A 53 -5.641 -12.534 -16.521 1.00 25.00 N ATOM 0 H ARG A 53 -3.141 -7.874 -16.831 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.435 -7.162 -14.029 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.016 -9.399 -13.485 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.577 -9.422 -14.281 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.379 -10.100 -16.426 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -0.908 -10.255 -15.486 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -1.807 -12.446 -15.567 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.194 -11.864 -13.960 1.00 25.00 H new ATOM 0 HE ARG A 53 -4.482 -11.798 -14.504 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -2.601 -12.497 -17.444 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -4.053 -12.928 -18.354 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -6.237 -12.351 -15.714 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -6.054 -12.847 -17.399 1.00 25.00 H new ATOM 832 N GLN A 54 0.068 -7.547 -14.569 1.00 25.00 N ATOM 833 CA GLN A 54 1.460 -7.439 -14.961 1.00 25.00 C ATOM 834 C GLN A 54 2.115 -8.736 -14.529 1.00 25.00 C ATOM 835 O GLN A 54 1.662 -9.360 -13.576 1.00 25.00 O ATOM 836 CB GLN A 54 2.126 -6.251 -14.262 1.00 25.00 C ATOM 837 CG GLN A 54 1.516 -4.902 -14.628 1.00 25.00 C ATOM 838 CD GLN A 54 1.685 -3.882 -13.532 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.724 -3.099 -13.613 1.00 25.00 O flip ATOM 840 NE2 GLN A 54 0.878 -3.800 -12.627 1.00 25.00 N flip ATOM 0 H GLN A 54 -0.082 -7.564 -13.560 1.00 25.00 H new ATOM 0 HA GLN A 54 1.558 -7.276 -16.034 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.056 -6.390 -13.183 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.186 -6.240 -14.514 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.981 -4.531 -15.541 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.455 -5.031 -14.841 1.00 25.00 H new ATOM 0 HE21 GLN A 54 0.077 -4.431 -12.599 1.00 25.00 H new ATOM 0 HE22 GLN A 54 1.001 -3.100 -11.896 1.00 25.00 H new ATOM 849 N GLY A 55 3.159 -9.143 -15.227 1.00 25.00 N ATOM 850 CA GLY A 55 3.861 -10.363 -14.874 1.00 25.00 C ATOM 851 C GLY A 55 5.112 -10.512 -15.708 1.00 25.00 C ATOM 852 O GLY A 55 5.286 -9.794 -16.704 1.00 25.00 O ATOM 0 H GLY A 55 3.538 -8.651 -16.036 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.122 -10.347 -13.816 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.209 -11.223 -15.028 1.00 25.00 H new ATOM 856 N ILE A 56 5.996 -11.410 -15.304 1.00 25.00 N ATOM 857 CA ILE A 56 7.243 -11.615 -16.025 1.00 25.00 C ATOM 858 C ILE A 56 6.973 -12.462 -17.264 1.00 25.00 C ATOM 859 O ILE A 56 6.081 -13.317 -17.280 1.00 25.00 O ATOM 860 CB ILE A 56 8.357 -12.254 -15.125 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.008 -13.709 -14.736 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.564 -11.390 -13.860 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.132 -14.465 -14.015 1.00 25.00 C ATOM 0 H ILE A 56 5.875 -12.006 -14.485 1.00 25.00 H new ATOM 0 HA ILE A 56 7.627 -10.641 -16.329 1.00 25.00 H new ATOM 0 HB ILE A 56 9.284 -12.283 -15.698 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.126 -13.698 -14.095 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.740 -14.258 -15.639 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.339 -11.837 -13.237 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.868 -10.385 -14.152 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.631 -11.338 -13.298 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.799 -15.476 -13.781 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.010 -14.513 -14.659 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.387 -13.944 -13.092 1.00 25.00 H new ATOM 875 N VAL A 57 7.701 -12.161 -18.323 1.00 25.00 N ATOM 876 CA VAL A 57 7.532 -12.819 -19.612 1.00 25.00 C ATOM 877 C VAL A 57 8.904 -13.051 -20.238 1.00 25.00 C ATOM 878 O VAL A 57 9.730 -12.127 -20.268 1.00 25.00 O ATOM 879 CB VAL A 57 6.711 -11.899 -20.569 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.757 -12.404 -22.007 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.264 -11.785 -20.090 1.00 25.00 C ATOM 0 H VAL A 57 8.432 -11.449 -18.317 1.00 25.00 H new ATOM 0 HA VAL A 57 7.011 -13.765 -19.464 1.00 25.00 H new ATOM 0 HB VAL A 57 7.168 -10.910 -20.550 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.175 -11.739 -22.645 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.791 -12.425 -22.352 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.339 -13.409 -22.053 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.706 -11.140 -20.769 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.808 -12.775 -20.072 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.245 -11.359 -19.087 1.00 25.00 H new ATOM 891 N PRO A 58 9.170 -14.257 -20.775 1.00 25.00 N ATOM 892 CA PRO A 58 10.443 -14.376 -21.491 1.00 25.00 C ATOM 893 C PRO A 58 10.402 -13.594 -22.814 1.00 25.00 C ATOM 894 O PRO A 58 9.643 -13.919 -23.734 1.00 25.00 O ATOM 895 CB PRO A 58 10.573 -15.885 -21.718 1.00 25.00 C ATOM 896 CG PRO A 58 9.158 -16.366 -21.797 1.00 25.00 C ATOM 897 CD PRO A 58 8.386 -15.512 -20.833 1.00 25.00 C ATOM 0 HA PRO A 58 11.292 -13.962 -20.946 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.120 -16.104 -22.635 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.112 -16.366 -20.902 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.766 -16.266 -22.809 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.087 -17.420 -21.530 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.369 -15.334 -21.181 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.309 -15.983 -19.853 1.00 25.00 H new ATOM 905 N GLY A 59 11.223 -12.555 -22.903 1.00 25.00 N ATOM 906 CA GLY A 59 11.247 -11.684 -24.068 1.00 25.00 C ATOM 907 C GLY A 59 11.697 -12.390 -25.326 1.00 25.00 C ATOM 908 O GLY A 59 11.402 -11.954 -26.430 1.00 25.00 O ATOM 0 H GLY A 59 11.887 -12.295 -22.174 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.251 -11.271 -24.227 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.913 -10.843 -23.872 1.00 25.00 H new ATOM 912 N ASN A 60 12.347 -13.530 -25.154 1.00 25.00 N ATOM 913 CA ASN A 60 12.740 -14.387 -26.271 1.00 25.00 C ATOM 914 C ASN A 60 11.523 -14.824 -27.097 1.00 25.00 C ATOM 915 O ASN A 60 11.619 -15.012 -28.304 1.00 25.00 O ATOM 916 CB ASN A 60 13.458 -15.627 -25.728 1.00 25.00 C ATOM 917 CG ASN A 60 13.693 -16.673 -26.792 1.00 25.00 C ATOM 918 OD1 ASN A 60 12.898 -17.579 -26.963 1.00 25.00 O ATOM 919 ND2 ASN A 60 14.787 -16.562 -27.491 1.00 25.00 N ATOM 0 H ASN A 60 12.619 -13.891 -24.239 1.00 25.00 H new ATOM 0 HA ASN A 60 13.405 -13.818 -26.921 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.415 -15.330 -25.298 1.00 25.00 H new ATOM 0 HB3 ASN A 60 12.867 -16.061 -24.921 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.003 -17.250 -28.213 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.427 -15.787 -27.316 1.00 25.00 H new ATOM 926 N ARG A 61 10.372 -14.965 -26.451 1.00 25.00 N ATOM 927 CA ARG A 61 9.159 -15.400 -27.147 1.00 25.00 C ATOM 928 C ARG A 61 8.382 -14.230 -27.728 1.00 25.00 C ATOM 929 O ARG A 61 7.263 -14.417 -28.208 1.00 25.00 O ATOM 930 CB ARG A 61 8.242 -16.186 -26.190 1.00 25.00 C ATOM 931 CG ARG A 61 8.869 -17.440 -25.601 1.00 25.00 C ATOM 932 CD ARG A 61 7.804 -18.357 -25.004 1.00 25.00 C ATOM 933 NE ARG A 61 8.409 -19.454 -24.229 1.00 25.00 N ATOM 934 CZ ARG A 61 7.775 -20.556 -23.831 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.530 -20.813 -24.144 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.421 -21.427 -23.110 1.00 25.00 N ATOM 0 H ARG A 61 10.249 -14.787 -25.454 1.00 25.00 H new ATOM 0 HA ARG A 61 9.479 -16.041 -27.969 1.00 25.00 H new ATOM 0 HB2 ARG A 61 7.941 -15.529 -25.374 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.335 -16.466 -26.725 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.420 -17.973 -26.376 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.589 -17.163 -24.831 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.142 -17.777 -24.360 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.189 -18.771 -25.803 1.00 25.00 H new ATOM 0 HE ARG A 61 9.393 -19.362 -23.977 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.002 -20.155 -24.717 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.088 -21.671 -23.815 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.395 -21.259 -22.859 1.00 25.00 H new ATOM 0 HH22 ARG A 61 7.953 -22.277 -22.796 1.00 25.00 H new ATOM 950 N LEU A 62 8.943 -13.031 -27.665 1.00 25.00 N ATOM 951 CA LEU A 62 8.247 -11.829 -28.116 1.00 25.00 C ATOM 952 C LEU A 62 8.992 -11.135 -29.251 1.00 25.00 C ATOM 953 O LEU A 62 10.216 -11.169 -29.313 1.00 25.00 O ATOM 954 CB LEU A 62 8.122 -10.831 -26.958 1.00 25.00 C ATOM 955 CG LEU A 62 7.482 -11.271 -25.626 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.341 -10.024 -24.729 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.122 -11.928 -25.825 1.00 25.00 C ATOM 0 H LEU A 62 9.882 -12.862 -27.305 1.00 25.00 H new ATOM 0 HA LEU A 62 7.265 -12.143 -28.471 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.125 -10.470 -26.732 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.551 -9.978 -27.325 1.00 25.00 H new ATOM 0 HG LEU A 62 8.124 -12.018 -25.160 1.00 25.00 H new ATOM 0 HD11 LEU A 62 6.890 -10.309 -23.778 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.326 -9.592 -24.549 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.708 -9.288 -25.225 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.714 -12.220 -24.857 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.445 -11.223 -26.307 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.233 -12.812 -26.453 1.00 25.00 H new ATOM 969 N LYS A 63 8.253 -10.441 -30.109 1.00 25.00 N ATOM 970 CA LYS A 63 8.857 -9.600 -31.147 1.00 25.00 C ATOM 971 C LYS A 63 8.319 -8.185 -31.011 1.00 25.00 C ATOM 972 O LYS A 63 7.109 -7.982 -31.027 1.00 25.00 O ATOM 973 CB LYS A 63 8.563 -10.159 -32.541 1.00 25.00 C ATOM 974 CG LYS A 63 9.317 -9.426 -33.650 1.00 25.00 C ATOM 975 CD LYS A 63 9.086 -10.069 -35.009 1.00 25.00 C ATOM 976 CE LYS A 63 9.917 -9.355 -36.077 1.00 25.00 C ATOM 977 NZ LYS A 63 9.773 -9.993 -37.434 1.00 25.00 N ATOM 0 H LYS A 63 7.233 -10.441 -30.110 1.00 25.00 H new ATOM 0 HA LYS A 63 9.939 -9.591 -31.019 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.829 -11.216 -32.566 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.492 -10.095 -32.734 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.996 -8.385 -33.681 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.384 -9.424 -33.425 1.00 25.00 H new ATOM 0 HD2 LYS A 63 9.357 -11.124 -34.971 1.00 25.00 H new ATOM 0 HD3 LYS A 63 8.028 -10.021 -35.268 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.611 -8.311 -36.135 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.967 -9.364 -35.783 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 10.354 -9.475 -38.124 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 10.090 -10.982 -37.388 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 8.776 -9.962 -37.728 1.00 25.00 H new ATOM 991 N ILE A 64 9.225 -7.227 -30.851 1.00 25.00 N ATOM 992 CA ILE A 64 8.877 -5.811 -30.658 1.00 25.00 C ATOM 993 C ILE A 64 8.045 -5.300 -31.839 1.00 25.00 C ATOM 994 O ILE A 64 8.307 -5.648 -32.997 1.00 25.00 O ATOM 995 CB ILE A 64 10.177 -4.934 -30.513 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.056 -5.435 -29.342 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.832 -3.426 -30.299 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.404 -5.382 -27.931 1.00 25.00 C ATOM 0 H ILE A 64 10.229 -7.405 -30.850 1.00 25.00 H new ATOM 0 HA ILE A 64 8.290 -5.729 -29.743 1.00 25.00 H new ATOM 0 HB ILE A 64 10.733 -5.033 -31.445 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.348 -6.465 -29.547 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.971 -4.843 -29.321 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.754 -2.852 -30.203 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.263 -3.058 -31.153 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.239 -3.314 -29.392 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.110 -5.757 -27.190 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.138 -4.352 -27.691 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.506 -6.000 -27.922 1.00 25.00 H new