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= -0.123 X(o=-0.12,f=-0.051) 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= 0.691 K(o=0.69,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+ -177:sc= 0.649 (180deg=0.644) USER MOD Single : A 32 MET CE :methyl -175:sc= -1.48 (180deg=-1.74) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -22:sc= 0.402 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 48 CYS SG : rot -140:sc= -1.08 USER MOD Single : A 49 SER OG : rot 36:sc= 0.93 USER MOD Single : A 51 HIS : no HE2:sc= 0.338 K(o=0.34,f=-1.7) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 60 ASN : amide:sc= -0.0046 K(o=-0.0046,f=-0.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.607 2.097 -20.295 1.00 25.00 N ATOM 81 CA LEU A 6 9.735 1.828 -21.731 1.00 25.00 C ATOM 82 C LEU A 6 8.450 2.093 -22.506 1.00 25.00 C ATOM 83 O LEU A 6 8.481 2.710 -23.564 1.00 25.00 O ATOM 84 CB LEU A 6 10.146 0.369 -21.946 1.00 25.00 C ATOM 85 CG LEU A 6 11.473 -0.043 -21.291 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.590 -1.549 -21.326 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.678 0.590 -21.994 1.00 25.00 C ATOM 0 HA LEU A 6 10.495 2.512 -22.110 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.355 -0.274 -21.561 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.216 0.183 -23.018 1.00 25.00 H new ATOM 0 HG LEU A 6 11.473 0.314 -20.261 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.529 -1.852 -20.863 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.757 -1.991 -20.780 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.568 -1.892 -22.361 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.596 0.273 -21.499 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.699 0.272 -23.036 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.597 1.676 -21.947 1.00 25.00 H new ATOM 99 N ASN A 7 7.338 1.590 -21.979 1.00 25.00 N ATOM 100 CA ASN A 7 6.002 1.744 -22.583 1.00 25.00 C ATOM 101 C ASN A 7 5.907 1.268 -24.049 1.00 25.00 C ATOM 102 O ASN A 7 5.041 1.704 -24.799 1.00 25.00 O ATOM 103 CB ASN A 7 5.548 3.214 -22.465 1.00 25.00 C ATOM 104 CG ASN A 7 4.043 3.367 -22.494 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.497 4.100 -23.297 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.369 2.712 -21.583 1.00 25.00 N ATOM 0 H ASN A 7 7.330 1.056 -21.110 1.00 25.00 H new ATOM 0 HA ASN A 7 5.335 1.090 -22.022 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.934 3.635 -21.537 1.00 25.00 H new ATOM 0 HB3 ASN A 7 5.983 3.791 -23.281 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.355 2.808 -21.531 1.00 25.00 H new ATOM 0 HD22 ASN A 7 3.858 2.105 -20.925 1.00 25.00 H new ATOM 113 N VAL A 8 6.788 0.360 -24.444 1.00 25.00 N ATOM 114 CA VAL A 8 6.765 -0.203 -25.798 1.00 25.00 C ATOM 115 C VAL A 8 5.863 -1.427 -25.753 1.00 25.00 C ATOM 116 O VAL A 8 5.420 -1.814 -24.685 1.00 25.00 O ATOM 117 CB VAL A 8 8.194 -0.583 -26.305 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.080 0.664 -26.391 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.856 -1.635 -25.400 1.00 25.00 C ATOM 0 H VAL A 8 7.531 -0.007 -23.849 1.00 25.00 H new ATOM 0 HA VAL A 8 6.388 0.540 -26.501 1.00 25.00 H new ATOM 0 HB VAL A 8 8.084 -1.016 -27.299 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.071 0.382 -26.746 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.636 1.379 -27.084 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.164 1.120 -25.404 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.848 -1.874 -25.785 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.945 -1.240 -24.388 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.246 -2.538 -25.385 1.00 25.00 H new ATOM 129 N LEU A 9 5.588 -2.048 -26.886 1.00 25.00 N ATOM 130 CA LEU A 9 4.719 -3.227 -26.912 1.00 25.00 C ATOM 131 C LEU A 9 5.291 -4.289 -27.828 1.00 25.00 C ATOM 132 O LEU A 9 6.039 -3.991 -28.763 1.00 25.00 O ATOM 133 CB LEU A 9 3.291 -2.858 -27.341 1.00 25.00 C ATOM 134 CG LEU A 9 3.144 -1.844 -28.486 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.967 -2.221 -29.377 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.931 -0.438 -27.911 1.00 25.00 C ATOM 0 H LEU A 9 5.947 -1.764 -27.797 1.00 25.00 H new ATOM 0 HA LEU A 9 4.671 -3.629 -25.900 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.778 -3.774 -27.633 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.768 -2.463 -26.470 1.00 25.00 H new ATOM 0 HG LEU A 9 4.055 -1.854 -29.084 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.874 -1.494 -30.184 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.133 -3.212 -29.799 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.051 -2.226 -28.787 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.827 0.277 -28.727 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.027 -0.427 -27.302 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.787 -0.163 -27.295 1.00 25.00 H new ATOM 148 N ALA A 10 4.967 -5.536 -27.528 1.00 25.00 N ATOM 149 CA ALA A 10 5.518 -6.669 -28.249 1.00 25.00 C ATOM 150 C ALA A 10 4.457 -7.733 -28.521 1.00 25.00 C ATOM 151 O ALA A 10 3.564 -7.961 -27.708 1.00 25.00 O ATOM 152 CB ALA A 10 6.662 -7.264 -27.447 1.00 25.00 C ATOM 0 H ALA A 10 4.319 -5.789 -26.782 1.00 25.00 H new ATOM 0 HA ALA A 10 5.884 -6.318 -29.214 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.079 -8.115 -27.985 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.437 -6.511 -27.304 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.293 -7.594 -26.476 1.00 25.00 H new ATOM 158 N LYS A 11 4.597 -8.402 -29.656 1.00 25.00 N ATOM 159 CA LYS A 11 3.699 -9.478 -30.057 1.00 25.00 C ATOM 160 C LYS A 11 4.317 -10.790 -29.633 1.00 25.00 C ATOM 161 O LYS A 11 5.500 -11.016 -29.862 1.00 25.00 O ATOM 162 CB LYS A 11 3.533 -9.478 -31.581 1.00 25.00 C ATOM 163 CG LYS A 11 2.598 -10.565 -32.099 1.00 25.00 C ATOM 164 CD LYS A 11 2.628 -10.640 -33.614 1.00 25.00 C ATOM 165 CE LYS A 11 1.725 -11.762 -34.093 1.00 25.00 C ATOM 166 NZ LYS A 11 1.785 -11.957 -35.579 1.00 25.00 N ATOM 0 H LYS A 11 5.340 -8.214 -30.329 1.00 25.00 H new ATOM 0 HA LYS A 11 2.724 -9.339 -29.591 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.154 -8.506 -31.896 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.512 -9.603 -32.044 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.888 -11.528 -31.679 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.581 -10.364 -31.763 1.00 25.00 H new ATOM 0 HD2 LYS A 11 2.302 -9.691 -34.040 1.00 25.00 H new ATOM 0 HD3 LYS A 11 3.648 -10.810 -33.958 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.010 -12.690 -33.597 1.00 25.00 H new ATOM 0 HE3 LYS A 11 0.698 -11.547 -33.800 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 1.151 -12.734 -35.853 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.487 -11.082 -36.056 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.759 -12.190 -35.860 1.00 25.00 H new ATOM 180 N ALA A 12 3.522 -11.660 -29.043 1.00 25.00 N ATOM 181 CA ALA A 12 4.001 -12.971 -28.638 1.00 25.00 C ATOM 182 C ALA A 12 4.127 -13.894 -29.844 1.00 25.00 C ATOM 183 O ALA A 12 3.231 -13.975 -30.693 1.00 25.00 O ATOM 184 CB ALA A 12 3.070 -13.567 -27.611 1.00 25.00 C ATOM 0 H ALA A 12 2.540 -11.485 -28.832 1.00 25.00 H new ATOM 0 HA ALA A 12 4.989 -12.858 -28.192 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.437 -14.549 -27.314 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.027 -12.916 -26.738 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.072 -13.667 -28.039 1.00 25.00 H new ATOM 190 N LEU A 13 5.243 -14.600 -29.896 1.00 25.00 N ATOM 191 CA LEU A 13 5.513 -15.559 -30.964 1.00 25.00 C ATOM 192 C LEU A 13 5.097 -16.957 -30.512 1.00 25.00 C ATOM 193 O LEU A 13 4.821 -17.829 -31.330 1.00 25.00 O ATOM 194 CB LEU A 13 7.011 -15.549 -31.296 1.00 25.00 C ATOM 195 CG LEU A 13 7.584 -14.205 -31.781 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.105 -14.296 -31.847 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.021 -13.826 -33.158 1.00 25.00 C ATOM 0 H LEU A 13 5.988 -14.528 -29.203 1.00 25.00 H new ATOM 0 HA LEU A 13 4.945 -15.283 -31.852 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.562 -15.857 -30.408 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.198 -16.300 -32.064 1.00 25.00 H new ATOM 0 HG LEU A 13 7.292 -13.429 -31.074 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.512 -13.345 -32.190 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.499 -14.523 -30.856 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.392 -15.085 -32.541 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.444 -12.872 -33.474 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.283 -14.597 -33.883 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.936 -13.739 -33.096 1.00 25.00 H new ATOM 209 N TYR A 14 5.047 -17.147 -29.202 1.00 25.00 N ATOM 210 CA TYR A 14 4.695 -18.431 -28.597 1.00 25.00 C ATOM 211 C TYR A 14 3.577 -18.191 -27.598 1.00 25.00 C ATOM 212 O TYR A 14 3.394 -17.069 -27.142 1.00 25.00 O ATOM 213 CB TYR A 14 5.906 -19.023 -27.875 1.00 25.00 C ATOM 214 CG TYR A 14 7.097 -19.267 -28.782 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.299 -20.524 -29.387 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.036 -18.245 -29.037 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.420 -20.753 -30.235 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.155 -18.470 -29.881 1.00 25.00 C ATOM 219 CZ TYR A 14 9.334 -19.720 -30.471 1.00 25.00 C ATOM 220 OH TYR A 14 10.413 -19.931 -31.290 1.00 25.00 O ATOM 0 H TYR A 14 5.250 -16.414 -28.522 1.00 25.00 H new ATOM 0 HA TYR A 14 4.375 -19.131 -29.369 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.204 -18.349 -27.072 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.616 -19.965 -27.410 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.595 -21.323 -29.205 1.00 25.00 H new ATOM 0 HD2 TYR A 14 7.901 -17.275 -28.582 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.564 -21.720 -30.694 1.00 25.00 H new ATOM 0 HE2 TYR A 14 9.864 -17.677 -30.065 1.00 25.00 H new ATOM 0 HH TYR A 14 10.946 -19.111 -31.347 1.00 25.00 H new ATOM 230 N ASP A 15 2.835 -19.233 -27.263 1.00 25.00 N ATOM 231 CA ASP A 15 1.766 -19.146 -26.273 1.00 25.00 C ATOM 232 C ASP A 15 2.267 -19.669 -24.937 1.00 25.00 C ATOM 233 O ASP A 15 3.108 -20.562 -24.894 1.00 25.00 O ATOM 234 CB ASP A 15 0.508 -19.918 -26.729 1.00 25.00 C ATOM 235 CG ASP A 15 0.812 -21.320 -27.273 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.146 -22.262 -26.825 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.546 -21.441 -28.289 1.00 25.00 O ATOM 0 H ASP A 15 2.953 -20.162 -27.666 1.00 25.00 H new ATOM 0 HA ASP A 15 1.479 -18.100 -26.164 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.180 -20.005 -25.888 1.00 25.00 H new ATOM 0 HB3 ASP A 15 -0.003 -19.341 -27.500 1.00 25.00 H new ATOM 242 N ASN A 16 1.789 -19.065 -23.856 1.00 25.00 N ATOM 243 CA ASN A 16 2.232 -19.404 -22.506 1.00 25.00 C ATOM 244 C ASN A 16 1.132 -19.082 -21.489 1.00 25.00 C ATOM 245 O ASN A 16 0.833 -17.911 -21.239 1.00 25.00 O ATOM 246 CB ASN A 16 3.487 -18.594 -22.170 1.00 25.00 C ATOM 247 CG ASN A 16 4.257 -19.165 -21.013 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.218 -19.895 -21.217 1.00 25.00 O ATOM 249 ND2 ASN A 16 3.877 -18.818 -19.820 1.00 25.00 N ATOM 0 H ASN A 16 1.085 -18.328 -23.888 1.00 25.00 H new ATOM 0 HA ASN A 16 2.453 -20.470 -22.461 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.134 -18.554 -23.047 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.200 -17.568 -21.939 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.387 -19.157 -19.004 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.069 -18.207 -19.700 1.00 25.00 H new ATOM 256 N VAL A 17 0.523 -20.104 -20.913 1.00 25.00 N ATOM 257 CA VAL A 17 -0.475 -19.893 -19.867 1.00 25.00 C ATOM 258 C VAL A 17 0.320 -19.751 -18.574 1.00 25.00 C ATOM 259 O VAL A 17 1.311 -20.443 -18.384 1.00 25.00 O ATOM 260 CB VAL A 17 -1.521 -21.066 -19.806 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.849 -22.430 -19.542 1.00 25.00 C ATOM 262 CG2 VAL A 17 -2.595 -20.790 -18.744 1.00 25.00 C ATOM 0 H VAL A 17 0.697 -21.082 -21.146 1.00 25.00 H new ATOM 0 HA VAL A 17 -1.077 -19.004 -20.058 1.00 25.00 H new ATOM 0 HB VAL A 17 -1.997 -21.116 -20.785 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.610 -23.210 -19.508 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.141 -22.648 -20.342 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -0.321 -22.397 -18.589 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -3.306 -21.616 -18.722 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -2.123 -20.691 -17.766 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -3.120 -19.866 -18.989 1.00 25.00 H new ATOM 272 N ALA A 18 -0.071 -18.819 -17.720 1.00 25.00 N ATOM 273 CA ALA A 18 0.643 -18.604 -16.471 1.00 25.00 C ATOM 274 C ALA A 18 0.271 -19.699 -15.475 1.00 25.00 C ATOM 275 O ALA A 18 -0.905 -19.855 -15.135 1.00 25.00 O ATOM 276 CB ALA A 18 0.306 -17.232 -15.898 1.00 25.00 C ATOM 0 H ALA A 18 -0.872 -18.204 -17.866 1.00 25.00 H new ATOM 0 HA ALA A 18 1.716 -18.643 -16.662 1.00 25.00 H new ATOM 0 HB1 ALA A 18 0.847 -17.085 -14.963 1.00 25.00 H new ATOM 0 HB2 ALA A 18 0.595 -16.459 -16.610 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -0.766 -17.169 -15.710 1.00 25.00 H new ATOM 282 N GLU A 19 1.267 -20.426 -14.992 1.00 25.00 N ATOM 283 CA GLU A 19 1.052 -21.435 -13.953 1.00 25.00 C ATOM 284 C GLU A 19 1.485 -20.860 -12.605 1.00 25.00 C ATOM 285 O GLU A 19 1.076 -21.340 -11.547 1.00 25.00 O ATOM 286 CB GLU A 19 1.809 -22.734 -14.272 1.00 25.00 C ATOM 287 CG GLU A 19 3.335 -22.621 -14.287 1.00 25.00 C ATOM 288 CD GLU A 19 4.006 -23.971 -14.529 1.00 25.00 C ATOM 289 OE1 GLU A 19 4.857 -24.370 -13.702 1.00 25.00 O ATOM 290 OE2 GLU A 19 3.672 -24.642 -15.534 1.00 25.00 O ATOM 0 H GLU A 19 2.235 -20.340 -15.300 1.00 25.00 H new ATOM 0 HA GLU A 19 -0.008 -21.688 -13.913 1.00 25.00 H new ATOM 0 HB2 GLU A 19 1.525 -23.489 -13.538 1.00 25.00 H new ATOM 0 HB3 GLU A 19 1.479 -23.096 -15.246 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.639 -21.920 -15.065 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.678 -22.211 -13.337 1.00 25.00 H new ATOM 297 N SER A 20 2.272 -19.792 -12.655 1.00 25.00 N ATOM 298 CA SER A 20 2.714 -19.088 -11.450 1.00 25.00 C ATOM 299 C SER A 20 2.014 -17.726 -11.383 1.00 25.00 C ATOM 300 O SER A 20 1.659 -17.165 -12.411 1.00 25.00 O ATOM 301 CB SER A 20 4.230 -18.902 -11.488 1.00 25.00 C ATOM 302 OG SER A 20 4.880 -20.160 -11.495 1.00 25.00 O ATOM 0 H SER A 20 2.622 -19.389 -13.524 1.00 25.00 H new ATOM 0 HA SER A 20 2.457 -19.670 -10.565 1.00 25.00 H new ATOM 0 HB2 SER A 20 4.511 -18.335 -12.375 1.00 25.00 H new ATOM 0 HB3 SER A 20 4.554 -18.323 -10.623 1.00 25.00 H new ATOM 0 HG SER A 20 5.851 -20.027 -11.521 1.00 25.00 H new ATOM 308 N PRO A 21 1.796 -17.180 -10.170 1.00 25.00 N ATOM 309 CA PRO A 21 1.075 -15.897 -10.134 1.00 25.00 C ATOM 310 C PRO A 21 1.899 -14.693 -10.600 1.00 25.00 C ATOM 311 O PRO A 21 1.343 -13.666 -10.977 1.00 25.00 O ATOM 312 CB PRO A 21 0.702 -15.762 -8.656 1.00 25.00 C ATOM 313 CG PRO A 21 1.799 -16.462 -7.940 1.00 25.00 C ATOM 314 CD PRO A 21 2.117 -17.657 -8.809 1.00 25.00 C ATOM 0 HA PRO A 21 0.229 -15.900 -10.821 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.634 -14.716 -8.356 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.266 -16.218 -8.446 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.669 -15.817 -7.819 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.488 -16.769 -6.941 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.163 -17.951 -8.722 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.518 -18.525 -8.535 1.00 25.00 H new ATOM 322 N ASP A 22 3.217 -14.827 -10.567 1.00 25.00 N ATOM 323 CA ASP A 22 4.130 -13.753 -10.971 1.00 25.00 C ATOM 324 C ASP A 22 4.349 -13.774 -12.482 1.00 25.00 C ATOM 325 O ASP A 22 4.978 -12.885 -13.057 1.00 25.00 O ATOM 326 CB ASP A 22 5.481 -13.956 -10.278 1.00 25.00 C ATOM 327 CG ASP A 22 5.350 -14.044 -8.769 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.400 -12.996 -8.093 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.173 -15.178 -8.259 1.00 25.00 O ATOM 0 H ASP A 22 3.688 -15.678 -10.261 1.00 25.00 H new ATOM 0 HA ASP A 22 3.692 -12.797 -10.686 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.945 -14.868 -10.653 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.145 -13.131 -10.535 1.00 25.00 H new ATOM 334 N GLU A 23 3.864 -14.832 -13.110 1.00 25.00 N ATOM 335 CA GLU A 23 4.048 -15.062 -14.534 1.00 25.00 C ATOM 336 C GLU A 23 2.926 -14.399 -15.328 1.00 25.00 C ATOM 337 O GLU A 23 1.766 -14.408 -14.914 1.00 25.00 O ATOM 338 CB GLU A 23 4.042 -16.571 -14.769 1.00 25.00 C ATOM 339 CG GLU A 23 4.449 -17.011 -16.152 1.00 25.00 C ATOM 340 CD GLU A 23 4.457 -18.528 -16.273 1.00 25.00 C ATOM 341 OE1 GLU A 23 3.811 -19.204 -15.435 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.096 -19.043 -17.213 1.00 25.00 O ATOM 0 H GLU A 23 3.327 -15.562 -12.642 1.00 25.00 H new ATOM 0 HA GLU A 23 4.992 -14.631 -14.867 1.00 25.00 H new ATOM 0 HB2 GLU A 23 4.712 -17.037 -14.046 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.040 -16.949 -14.566 1.00 25.00 H new ATOM 0 HG2 GLU A 23 3.762 -16.590 -16.886 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.440 -16.621 -16.382 1.00 25.00 H new ATOM 349 N LEU A 24 3.257 -13.814 -16.468 1.00 25.00 N ATOM 350 CA LEU A 24 2.243 -13.178 -17.297 1.00 25.00 C ATOM 351 C LEU A 24 1.688 -14.192 -18.289 1.00 25.00 C ATOM 352 O LEU A 24 2.435 -14.933 -18.922 1.00 25.00 O ATOM 353 CB LEU A 24 2.851 -11.989 -18.029 1.00 25.00 C ATOM 354 CG LEU A 24 1.962 -10.850 -18.553 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.522 -11.104 -19.976 1.00 25.00 C ATOM 356 CD2 LEU A 24 0.756 -10.559 -17.660 1.00 25.00 C ATOM 0 H LEU A 24 4.206 -13.766 -16.838 1.00 25.00 H new ATOM 0 HA LEU A 24 1.427 -12.819 -16.669 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.584 -11.541 -17.358 1.00 25.00 H new ATOM 0 HB3 LEU A 24 3.401 -12.385 -18.883 1.00 25.00 H new ATOM 0 HG LEU A 24 2.586 -9.956 -18.532 1.00 25.00 H new ATOM 0 HD11 LEU A 24 0.895 -10.280 -20.316 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.398 -11.182 -20.619 1.00 25.00 H new ATOM 0 HD13 LEU A 24 0.955 -12.034 -20.021 1.00 25.00 H new ATOM 0 HD21 LEU A 24 0.173 -9.745 -18.090 1.00 25.00 H new ATOM 0 HD22 LEU A 24 0.134 -11.451 -17.587 1.00 25.00 H new ATOM 0 HD23 LEU A 24 1.100 -10.274 -16.666 1.00 25.00 H new ATOM 368 N SER A 25 0.374 -14.220 -18.419 1.00 25.00 N ATOM 369 CA SER A 25 -0.291 -15.172 -19.310 1.00 25.00 C ATOM 370 C SER A 25 -0.550 -14.511 -20.654 1.00 25.00 C ATOM 371 O SER A 25 -1.075 -13.406 -20.700 1.00 25.00 O ATOM 372 CB SER A 25 -1.618 -15.628 -18.703 1.00 25.00 C ATOM 373 OG SER A 25 -2.191 -16.687 -19.455 1.00 25.00 O ATOM 0 H SER A 25 -0.261 -13.596 -17.921 1.00 25.00 H new ATOM 0 HA SER A 25 0.354 -16.041 -19.444 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.458 -15.954 -17.675 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.312 -14.788 -18.666 1.00 25.00 H new ATOM 0 HG SER A 25 -3.038 -16.960 -19.043 1.00 25.00 H new ATOM 379 N PHE A 26 -0.197 -15.184 -21.739 1.00 25.00 N ATOM 380 CA PHE A 26 -0.369 -14.628 -23.084 1.00 25.00 C ATOM 381 C PHE A 26 -0.429 -15.754 -24.111 1.00 25.00 C ATOM 382 O PHE A 26 -0.112 -16.900 -23.808 1.00 25.00 O ATOM 383 CB PHE A 26 0.797 -13.687 -23.411 1.00 25.00 C ATOM 384 CG PHE A 26 2.156 -14.335 -23.295 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.881 -14.267 -22.090 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.728 -15.011 -24.391 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.149 -14.876 -21.973 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.008 -15.607 -24.288 1.00 25.00 C ATOM 389 CZ PHE A 26 4.717 -15.539 -23.077 1.00 25.00 C ATOM 0 H PHE A 26 0.212 -16.118 -21.720 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.303 -14.067 -23.119 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.672 -13.307 -24.425 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.757 -12.828 -22.742 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.462 -13.742 -21.244 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.183 -15.075 -25.321 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.684 -14.833 -21.036 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.439 -16.113 -25.139 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.693 -15.993 -22.994 1.00 25.00 H new ATOM 399 N ARG A 27 -0.823 -15.439 -25.337 1.00 25.00 N ATOM 400 CA ARG A 27 -0.876 -16.448 -26.401 1.00 25.00 C ATOM 401 C ARG A 27 -0.105 -15.974 -27.614 1.00 25.00 C ATOM 402 O ARG A 27 0.069 -14.786 -27.805 1.00 25.00 O ATOM 403 CB ARG A 27 -2.323 -16.741 -26.797 1.00 25.00 C ATOM 404 CG ARG A 27 -3.167 -17.291 -25.652 1.00 25.00 C ATOM 405 CD ARG A 27 -4.342 -18.098 -26.180 1.00 25.00 C ATOM 406 NE ARG A 27 -5.223 -17.290 -27.044 1.00 25.00 N ATOM 407 CZ ARG A 27 -6.192 -17.776 -27.812 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.464 -19.058 -27.873 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.898 -16.956 -28.540 1.00 25.00 N ATOM 0 H ARG A 27 -1.110 -14.503 -25.624 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.422 -17.364 -26.022 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.782 -15.825 -27.169 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.329 -17.457 -27.619 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.550 -17.919 -25.009 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.533 -16.468 -25.038 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -3.970 -18.955 -26.742 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.917 -18.491 -25.342 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.077 -16.281 -27.052 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.923 -19.721 -27.318 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.217 -19.392 -28.475 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.703 -15.955 -28.515 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.645 -17.316 -29.134 1.00 25.00 H new ATOM 423 N LYS A 28 0.313 -16.900 -28.461 1.00 25.00 N ATOM 424 CA LYS A 28 0.961 -16.535 -29.715 1.00 25.00 C ATOM 425 C LYS A 28 -0.034 -15.720 -30.520 1.00 25.00 C ATOM 426 O LYS A 28 -1.211 -16.062 -30.600 1.00 25.00 O ATOM 427 CB LYS A 28 1.422 -17.780 -30.491 1.00 25.00 C ATOM 428 CG LYS A 28 0.345 -18.843 -30.732 1.00 25.00 C ATOM 429 CD LYS A 28 0.987 -20.125 -31.235 1.00 25.00 C ATOM 430 CE LYS A 28 0.017 -21.302 -31.161 1.00 25.00 C ATOM 431 NZ LYS A 28 0.769 -22.568 -30.845 1.00 25.00 N ATOM 0 H LYS A 28 0.217 -17.904 -28.307 1.00 25.00 H new ATOM 0 HA LYS A 28 1.859 -15.949 -29.519 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.815 -17.460 -31.456 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.247 -18.240 -29.948 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.200 -19.037 -29.808 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.381 -18.480 -31.460 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.317 -19.988 -32.265 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.875 -20.346 -30.642 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.736 -21.116 -30.396 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.511 -21.409 -32.109 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 0.110 -23.373 -30.846 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 1.506 -22.722 -31.563 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.211 -22.484 -29.907 1.00 25.00 H new ATOM 445 N GLY A 29 0.435 -14.613 -31.066 1.00 25.00 N ATOM 446 CA GLY A 29 -0.429 -13.713 -31.807 1.00 25.00 C ATOM 447 C GLY A 29 -0.947 -12.556 -30.975 1.00 25.00 C ATOM 448 O GLY A 29 -1.365 -11.553 -31.537 1.00 25.00 O ATOM 0 H GLY A 29 1.409 -14.316 -31.010 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.118 -13.319 -32.664 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.275 -14.276 -32.201 1.00 25.00 H new ATOM 452 N ASP A 30 -0.906 -12.691 -29.656 1.00 25.00 N ATOM 453 CA ASP A 30 -1.392 -11.653 -28.741 1.00 25.00 C ATOM 454 C ASP A 30 -0.319 -10.579 -28.565 1.00 25.00 C ATOM 455 O ASP A 30 0.846 -10.807 -28.906 1.00 25.00 O ATOM 456 CB ASP A 30 -1.727 -12.287 -27.387 1.00 25.00 C ATOM 457 CG ASP A 30 -2.882 -11.610 -26.692 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.513 -12.275 -25.843 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.185 -10.440 -27.008 1.00 25.00 O ATOM 0 H ASP A 30 -0.537 -13.518 -29.186 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.289 -11.192 -29.154 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.965 -13.341 -27.534 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.848 -12.245 -26.744 1.00 25.00 H new ATOM 464 N ILE A 31 -0.701 -9.412 -28.061 1.00 25.00 N ATOM 465 CA ILE A 31 0.222 -8.280 -27.908 1.00 25.00 C ATOM 466 C ILE A 31 0.123 -7.732 -26.488 1.00 25.00 C ATOM 467 O ILE A 31 -0.967 -7.494 -25.981 1.00 25.00 O ATOM 468 CB ILE A 31 -0.087 -7.136 -28.943 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.234 -7.599 -30.381 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.770 -5.872 -28.660 1.00 25.00 C ATOM 471 CD1 ILE A 31 -0.923 -8.213 -31.140 1.00 25.00 C ATOM 0 H ILE A 31 -1.652 -9.218 -27.747 1.00 25.00 H new ATOM 0 HA ILE A 31 1.233 -8.639 -28.100 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.146 -6.900 -28.842 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.603 -6.743 -30.946 1.00 25.00 H new ATOM 0 HG13 ILE A 31 1.045 -8.326 -30.338 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.533 -5.100 -29.392 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.552 -5.501 -27.658 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.828 -6.126 -28.730 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.591 -8.503 -32.137 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.282 -9.093 -30.606 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.730 -7.485 -31.224 1.00 25.00 H new ATOM 483 N MET A 32 1.273 -7.529 -25.864 1.00 25.00 N ATOM 484 CA MET A 32 1.354 -7.019 -24.494 1.00 25.00 C ATOM 485 C MET A 32 2.265 -5.805 -24.443 1.00 25.00 C ATOM 486 O MET A 32 3.146 -5.641 -25.290 1.00 25.00 O ATOM 487 CB MET A 32 1.906 -8.104 -23.567 1.00 25.00 C ATOM 488 CG MET A 32 3.297 -8.598 -23.958 1.00 25.00 C ATOM 489 SD MET A 32 3.432 -10.364 -23.724 1.00 25.00 S ATOM 490 CE MET A 32 2.451 -10.943 -25.117 1.00 25.00 C ATOM 0 H MET A 32 2.182 -7.712 -26.290 1.00 25.00 H new ATOM 0 HA MET A 32 0.354 -6.734 -24.167 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.941 -7.716 -22.549 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.218 -8.950 -23.562 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.497 -8.348 -25.000 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.051 -8.088 -23.358 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.357 -12.028 -25.070 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.460 -10.491 -25.077 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.941 -10.661 -26.049 1.00 25.00 H new ATOM 500 N THR A 33 2.067 -4.971 -23.438 1.00 25.00 N ATOM 501 CA THR A 33 2.920 -3.802 -23.231 1.00 25.00 C ATOM 502 C THR A 33 4.142 -4.272 -22.454 1.00 25.00 C ATOM 503 O THR A 33 3.993 -4.981 -21.472 1.00 25.00 O ATOM 504 CB THR A 33 2.183 -2.718 -22.408 1.00 25.00 C ATOM 505 OG1 THR A 33 0.937 -2.416 -23.041 1.00 25.00 O ATOM 506 CG2 THR A 33 2.991 -1.427 -22.322 1.00 25.00 C ATOM 0 H THR A 33 1.323 -5.077 -22.748 1.00 25.00 H new ATOM 0 HA THR A 33 3.194 -3.367 -24.192 1.00 25.00 H new ATOM 0 HB THR A 33 2.036 -3.110 -21.401 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.465 -1.731 -22.523 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.440 -0.691 -21.736 1.00 25.00 H new ATOM 0 HG22 THR A 33 3.949 -1.629 -21.843 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.162 -1.037 -23.326 1.00 25.00 H new ATOM 514 N VAL A 34 5.334 -3.877 -22.872 1.00 25.00 N ATOM 515 CA VAL A 34 6.562 -4.199 -22.135 1.00 25.00 C ATOM 516 C VAL A 34 6.908 -2.965 -21.313 1.00 25.00 C ATOM 517 O VAL A 34 7.040 -1.854 -21.839 1.00 25.00 O ATOM 518 CB VAL A 34 7.742 -4.579 -23.074 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.061 -4.691 -22.286 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.462 -5.915 -23.782 1.00 25.00 C ATOM 0 H VAL A 34 5.485 -3.331 -23.720 1.00 25.00 H new ATOM 0 HA VAL A 34 6.396 -5.073 -21.505 1.00 25.00 H new ATOM 0 HB VAL A 34 7.838 -3.788 -23.817 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.870 -4.958 -22.966 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.285 -3.735 -21.813 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.963 -5.460 -21.520 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.299 -6.163 -24.434 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.336 -6.702 -23.038 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.552 -5.828 -24.376 1.00 25.00 H new ATOM 530 N LEU A 35 6.987 -3.161 -20.008 1.00 25.00 N ATOM 531 CA LEU A 35 7.200 -2.074 -19.068 1.00 25.00 C ATOM 532 C LEU A 35 8.669 -1.937 -18.689 1.00 25.00 C ATOM 533 O LEU A 35 9.220 -0.840 -18.732 1.00 25.00 O ATOM 534 CB LEU A 35 6.376 -2.341 -17.799 1.00 25.00 C ATOM 535 CG LEU A 35 4.851 -2.441 -17.982 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.214 -2.864 -16.662 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.254 -1.108 -18.448 1.00 25.00 C ATOM 0 H LEU A 35 6.905 -4.079 -19.570 1.00 25.00 H new ATOM 0 HA LEU A 35 6.886 -1.146 -19.545 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.728 -3.271 -17.352 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.583 -1.545 -17.084 1.00 25.00 H new ATOM 0 HG LEU A 35 4.643 -3.184 -18.752 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.134 -2.936 -16.786 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.610 -3.834 -16.361 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.442 -2.125 -15.894 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.176 -1.214 -18.567 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.463 -0.337 -17.707 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.698 -0.824 -19.402 1.00 25.00 H new ATOM 549 N GLU A 36 9.281 -3.052 -18.313 1.00 25.00 N ATOM 550 CA GLU A 36 10.652 -3.060 -17.794 1.00 25.00 C ATOM 551 C GLU A 36 11.397 -4.291 -18.329 1.00 25.00 C ATOM 552 O GLU A 36 10.760 -5.230 -18.813 1.00 25.00 O ATOM 553 CB GLU A 36 10.596 -3.066 -16.253 1.00 25.00 C ATOM 554 CG GLU A 36 11.921 -2.792 -15.540 1.00 25.00 C ATOM 555 CD GLU A 36 12.556 -1.488 -15.995 1.00 25.00 C ATOM 556 OE1 GLU A 36 12.322 -0.444 -15.352 1.00 25.00 O ATOM 557 OE2 GLU A 36 13.253 -1.506 -17.045 1.00 25.00 O ATOM 0 H GLU A 36 8.848 -3.975 -18.357 1.00 25.00 H new ATOM 0 HA GLU A 36 11.192 -2.172 -18.123 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.870 -2.319 -15.931 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.222 -4.036 -15.925 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.752 -2.756 -14.464 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.610 -3.615 -15.728 1.00 25.00 H new ATOM 564 N ARG A 37 12.724 -4.296 -18.258 1.00 25.00 N ATOM 565 CA ARG A 37 13.541 -5.428 -18.727 1.00 25.00 C ATOM 566 C ARG A 37 14.560 -5.768 -17.649 1.00 25.00 C ATOM 567 O ARG A 37 14.926 -4.899 -16.881 1.00 25.00 O ATOM 568 CB ARG A 37 14.267 -5.062 -20.019 1.00 25.00 C ATOM 569 CG ARG A 37 13.335 -4.839 -21.205 1.00 25.00 C ATOM 570 CD ARG A 37 14.094 -4.413 -22.459 1.00 25.00 C ATOM 571 NE ARG A 37 14.609 -3.035 -22.337 1.00 25.00 N ATOM 572 CZ ARG A 37 15.857 -2.694 -22.029 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.802 -3.577 -21.813 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.158 -1.430 -21.933 1.00 25.00 N ATOM 0 H ARG A 37 13.269 -3.523 -17.877 1.00 25.00 H new ATOM 0 HA ARG A 37 12.897 -6.285 -18.924 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.852 -4.157 -19.853 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.972 -5.856 -20.267 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.783 -5.757 -21.410 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.600 -4.076 -20.950 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.923 -5.098 -22.634 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.436 -4.481 -23.325 1.00 25.00 H new ATOM 0 HE ARG A 37 13.948 -2.276 -22.504 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.594 -4.573 -21.879 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.745 -3.268 -21.579 1.00 25.00 H new ATOM 0 HH21 ARG A 37 15.442 -0.722 -22.093 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.110 -1.149 -21.698 1.00 25.00 H new ATOM 588 N ASP A 38 14.968 -7.035 -17.595 1.00 25.00 N ATOM 589 CA ASP A 38 15.862 -7.561 -16.543 1.00 25.00 C ATOM 590 C ASP A 38 15.199 -7.288 -15.191 1.00 25.00 C ATOM 591 O ASP A 38 15.812 -6.882 -14.210 1.00 25.00 O ATOM 592 CB ASP A 38 17.273 -6.968 -16.626 1.00 25.00 C ATOM 593 CG ASP A 38 18.287 -7.786 -15.839 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.878 -8.777 -15.193 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.492 -7.473 -15.904 1.00 25.00 O ATOM 0 H ASP A 38 14.690 -7.737 -18.281 1.00 25.00 H new ATOM 0 HA ASP A 38 15.999 -8.634 -16.679 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.582 -6.916 -17.670 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.259 -5.947 -16.246 1.00 25.00 H new ATOM 600 N THR A 39 13.891 -7.488 -15.188 1.00 25.00 N ATOM 601 CA THR A 39 13.030 -7.119 -14.067 1.00 25.00 C ATOM 602 C THR A 39 13.213 -7.992 -12.820 1.00 25.00 C ATOM 603 O THR A 39 12.611 -7.729 -11.783 1.00 25.00 O ATOM 604 CB THR A 39 11.543 -7.186 -14.521 1.00 25.00 C ATOM 605 OG1 THR A 39 10.692 -6.689 -13.488 1.00 25.00 O ATOM 606 CG2 THR A 39 11.116 -8.621 -14.865 1.00 25.00 C ATOM 0 H THR A 39 13.390 -7.914 -15.967 1.00 25.00 H new ATOM 0 HA THR A 39 13.318 -6.108 -13.780 1.00 25.00 H new ATOM 0 HB THR A 39 11.451 -6.572 -15.417 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.155 -6.749 -12.626 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.072 -8.625 -15.177 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.738 -9.002 -15.675 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.235 -9.256 -13.987 1.00 25.00 H new ATOM 614 N GLN A 40 14.018 -9.041 -12.928 1.00 25.00 N ATOM 615 CA GLN A 40 14.201 -9.981 -11.822 1.00 25.00 C ATOM 616 C GLN A 40 15.667 -10.371 -11.605 1.00 25.00 C ATOM 617 O GLN A 40 15.960 -11.330 -10.896 1.00 25.00 O ATOM 618 CB GLN A 40 13.376 -11.240 -12.113 1.00 25.00 C ATOM 619 CG GLN A 40 12.846 -11.941 -10.868 1.00 25.00 C ATOM 620 CD GLN A 40 12.224 -13.277 -11.196 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.518 -13.416 -12.177 1.00 25.00 O ATOM 622 NE2 GLN A 40 12.500 -14.266 -10.388 1.00 25.00 N ATOM 0 H GLN A 40 14.555 -9.265 -13.766 1.00 25.00 H new ATOM 0 HA GLN A 40 13.868 -9.489 -10.908 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.534 -10.970 -12.750 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.991 -11.941 -12.677 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.660 -12.084 -10.158 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.106 -11.306 -10.381 1.00 25.00 H new ATOM 0 HE21 GLN A 40 13.096 -14.109 -9.575 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.119 -15.195 -10.570 1.00 25.00 H new ATOM 631 N GLY A 41 16.587 -9.672 -12.258 1.00 25.00 N ATOM 632 CA GLY A 41 17.986 -10.075 -12.197 1.00 25.00 C ATOM 633 C GLY A 41 18.206 -11.256 -13.124 1.00 25.00 C ATOM 634 O GLY A 41 19.161 -12.023 -12.990 1.00 25.00 O ATOM 0 H GLY A 41 16.397 -8.844 -12.822 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.629 -9.244 -12.488 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.255 -10.344 -11.176 1.00 25.00 H new ATOM 638 N LEU A 42 17.285 -11.401 -14.066 1.00 25.00 N ATOM 639 CA LEU A 42 17.352 -12.431 -15.087 1.00 25.00 C ATOM 640 C LEU A 42 17.329 -11.692 -16.413 1.00 25.00 C ATOM 641 O LEU A 42 16.291 -11.145 -16.814 1.00 25.00 O ATOM 642 CB LEU A 42 16.133 -13.366 -14.996 1.00 25.00 C ATOM 643 CG LEU A 42 15.933 -14.162 -13.697 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.590 -14.898 -13.762 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.062 -15.167 -13.468 1.00 25.00 C ATOM 0 H LEU A 42 16.464 -10.801 -14.142 1.00 25.00 H new ATOM 0 HA LEU A 42 18.244 -13.046 -14.971 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.238 -12.766 -15.162 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.196 -14.078 -15.819 1.00 25.00 H new ATOM 0 HG LEU A 42 15.941 -13.461 -12.862 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.441 -15.465 -12.843 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.783 -14.174 -13.876 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.589 -15.579 -14.613 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.883 -15.709 -12.540 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.096 -15.871 -14.299 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.013 -14.638 -13.402 1.00 25.00 H new ATOM 657 N ASP A 43 18.447 -11.692 -17.118 1.00 25.00 N ATOM 658 CA ASP A 43 18.508 -11.022 -18.405 1.00 25.00 C ATOM 659 C ASP A 43 17.636 -11.806 -19.375 1.00 25.00 C ATOM 660 O ASP A 43 17.447 -13.019 -19.244 1.00 25.00 O ATOM 661 CB ASP A 43 19.942 -10.921 -18.929 1.00 25.00 C ATOM 662 CG ASP A 43 20.047 -10.013 -20.160 1.00 25.00 C ATOM 663 OD1 ASP A 43 21.024 -10.159 -20.922 1.00 25.00 O ATOM 664 OD2 ASP A 43 19.117 -9.195 -20.399 1.00 25.00 O ATOM 0 H ASP A 43 19.314 -12.142 -16.826 1.00 25.00 H new ATOM 0 HA ASP A 43 18.146 -9.999 -18.300 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.589 -10.537 -18.140 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.305 -11.917 -19.182 1.00 25.00 H new ATOM 669 N GLY A 44 17.062 -11.092 -20.321 1.00 25.00 N ATOM 670 CA GLY A 44 16.169 -11.694 -21.288 1.00 25.00 C ATOM 671 C GLY A 44 14.732 -11.754 -20.813 1.00 25.00 C ATOM 672 O GLY A 44 13.846 -11.969 -21.627 1.00 25.00 O ATOM 0 H GLY A 44 17.199 -10.088 -20.441 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.215 -11.127 -22.218 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.514 -12.703 -21.513 1.00 25.00 H new ATOM 676 N TRP A 45 14.477 -11.545 -19.528 1.00 25.00 N ATOM 677 CA TRP A 45 13.102 -11.548 -19.013 1.00 25.00 C ATOM 678 C TRP A 45 12.594 -10.122 -18.896 1.00 25.00 C ATOM 679 O TRP A 45 13.311 -9.232 -18.433 1.00 25.00 O ATOM 680 CB TRP A 45 13.041 -12.238 -17.652 1.00 25.00 C ATOM 681 CG TRP A 45 13.219 -13.720 -17.762 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.377 -14.402 -17.949 1.00 25.00 C ATOM 683 CD2 TRP A 45 12.189 -14.727 -17.704 1.00 25.00 C ATOM 684 NE1 TRP A 45 14.166 -15.746 -18.011 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.828 -15.992 -17.864 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.791 -14.691 -17.523 1.00 25.00 C ATOM 687 CZ2 TRP A 45 12.113 -17.208 -17.851 1.00 25.00 C ATOM 688 CZ3 TRP A 45 10.067 -15.911 -17.502 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.740 -17.158 -17.669 1.00 25.00 C ATOM 0 H TRP A 45 15.194 -11.372 -18.823 1.00 25.00 H new ATOM 0 HA TRP A 45 12.469 -12.099 -19.708 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.815 -11.828 -17.003 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.082 -12.023 -17.180 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.347 -13.936 -18.038 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.888 -16.454 -18.145 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.279 -13.748 -17.402 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.622 -18.152 -17.979 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.997 -15.896 -17.358 1.00 25.00 H new ATOM 0 HH2 TRP A 45 10.171 -18.076 -17.653 1.00 25.00 H new ATOM 700 N TRP A 46 11.376 -9.886 -19.359 1.00 25.00 N ATOM 701 CA TRP A 46 10.802 -8.552 -19.378 1.00 25.00 C ATOM 702 C TRP A 46 9.520 -8.552 -18.560 1.00 25.00 C ATOM 703 O TRP A 46 8.793 -9.543 -18.538 1.00 25.00 O ATOM 704 CB TRP A 46 10.482 -8.147 -20.821 1.00 25.00 C ATOM 705 CG TRP A 46 11.663 -8.196 -21.788 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.987 -8.362 -21.500 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.604 -8.086 -23.221 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.753 -8.368 -22.625 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.940 -8.202 -23.712 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.557 -7.917 -24.146 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.247 -8.150 -25.087 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.857 -7.872 -25.530 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.204 -7.986 -25.984 1.00 25.00 C ATOM 0 H TRP A 46 10.761 -10.611 -19.730 1.00 25.00 H new ATOM 0 HA TRP A 46 11.514 -7.843 -18.955 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.696 -8.801 -21.199 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.079 -7.134 -20.816 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.379 -8.475 -20.500 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.767 -8.478 -22.653 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.537 -7.823 -23.805 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.267 -8.236 -25.432 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.059 -7.750 -26.247 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.414 -7.944 -27.043 1.00 25.00 H new ATOM 724 N LEU A 47 9.227 -7.431 -17.922 1.00 25.00 N ATOM 725 CA LEU A 47 7.974 -7.263 -17.198 1.00 25.00 C ATOM 726 C LEU A 47 6.964 -6.791 -18.221 1.00 25.00 C ATOM 727 O LEU A 47 7.128 -5.713 -18.797 1.00 25.00 O ATOM 728 CB LEU A 47 8.118 -6.209 -16.097 1.00 25.00 C ATOM 729 CG LEU A 47 6.860 -5.921 -15.260 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.485 -7.112 -14.381 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.107 -4.693 -14.386 1.00 25.00 C ATOM 0 H LEU A 47 9.843 -6.618 -17.890 1.00 25.00 H new ATOM 0 HA LEU A 47 7.672 -8.195 -16.720 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.913 -6.526 -15.422 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.444 -5.276 -16.557 1.00 25.00 H new ATOM 0 HG LEU A 47 6.030 -5.737 -15.942 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.592 -6.872 -13.804 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.288 -7.980 -15.010 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.307 -7.335 -13.701 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.218 -4.485 -13.791 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.951 -4.882 -13.723 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.329 -3.834 -15.020 1.00 25.00 H new ATOM 743 N CYS A 48 5.949 -7.594 -18.481 1.00 25.00 N ATOM 744 CA CYS A 48 4.944 -7.245 -19.466 1.00 25.00 C ATOM 745 C CYS A 48 3.583 -7.126 -18.812 1.00 25.00 C ATOM 746 O CYS A 48 3.372 -7.653 -17.731 1.00 25.00 O ATOM 747 CB CYS A 48 4.909 -8.306 -20.552 1.00 25.00 C ATOM 748 SG CYS A 48 6.523 -8.553 -21.315 1.00 25.00 S ATOM 0 H CYS A 48 5.799 -8.493 -18.023 1.00 25.00 H new ATOM 0 HA CYS A 48 5.199 -6.282 -19.909 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.562 -9.248 -20.126 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.188 -8.017 -21.317 1.00 25.00 H new ATOM 0 HG CYS A 48 6.377 -8.717 -22.596 1.00 25.00 H new ATOM 754 N SER A 49 2.663 -6.444 -19.477 1.00 25.00 N ATOM 755 CA SER A 49 1.309 -6.268 -18.968 1.00 25.00 C ATOM 756 C SER A 49 0.264 -6.596 -20.024 1.00 25.00 C ATOM 757 O SER A 49 0.348 -6.138 -21.173 1.00 25.00 O ATOM 758 CB SER A 49 1.110 -4.836 -18.476 1.00 25.00 C ATOM 759 OG SER A 49 -0.197 -4.670 -17.948 1.00 25.00 O ATOM 0 H SER A 49 2.831 -5.999 -20.379 1.00 25.00 H new ATOM 0 HA SER A 49 1.180 -6.961 -18.137 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.850 -4.602 -17.711 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.268 -4.137 -19.298 1.00 25.00 H new ATOM 0 HG SER A 49 -0.472 -5.492 -17.490 1.00 25.00 H new ATOM 765 N LEU A 50 -0.717 -7.391 -19.616 1.00 25.00 N ATOM 766 CA LEU A 50 -1.822 -7.817 -20.478 1.00 25.00 C ATOM 767 C LEU A 50 -3.063 -8.053 -19.606 1.00 25.00 C ATOM 768 O LEU A 50 -2.946 -8.554 -18.493 1.00 25.00 O ATOM 769 CB LEU A 50 -1.434 -9.112 -21.207 1.00 25.00 C ATOM 770 CG LEU A 50 -2.390 -9.586 -22.314 1.00 25.00 C ATOM 771 CD1 LEU A 50 -1.614 -9.858 -23.589 1.00 25.00 C ATOM 772 CD2 LEU A 50 -3.135 -10.844 -21.897 1.00 25.00 C ATOM 0 H LEU A 50 -0.772 -7.764 -18.668 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.038 -7.049 -21.220 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.445 -8.974 -21.645 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -1.347 -9.908 -20.467 1.00 25.00 H new ATOM 0 HG LEU A 50 -3.119 -8.795 -22.488 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.299 -10.193 -24.368 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -1.115 -8.945 -23.913 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -0.869 -10.632 -23.403 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -3.803 -11.154 -22.700 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -2.419 -11.640 -21.692 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -3.718 -10.641 -20.999 1.00 25.00 H new ATOM 784 N HIS A 51 -4.235 -7.671 -20.109 1.00 25.00 N ATOM 785 CA HIS A 51 -5.524 -7.864 -19.404 1.00 25.00 C ATOM 786 C HIS A 51 -5.554 -7.212 -18.002 1.00 25.00 C ATOM 787 O HIS A 51 -6.178 -7.719 -17.071 1.00 25.00 O ATOM 788 CB HIS A 51 -5.865 -9.366 -19.320 1.00 25.00 C ATOM 789 CG HIS A 51 -7.335 -9.656 -19.276 1.00 25.00 C ATOM 790 ND1 HIS A 51 -8.168 -9.293 -18.250 1.00 25.00 N ATOM 791 CD2 HIS A 51 -8.137 -10.309 -20.164 1.00 25.00 C ATOM 792 CE1 HIS A 51 -9.395 -9.716 -18.533 1.00 25.00 C ATOM 793 NE2 HIS A 51 -9.435 -10.343 -19.691 1.00 25.00 N ATOM 0 H HIS A 51 -4.330 -7.217 -21.018 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.286 -7.353 -19.992 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -5.430 -9.875 -20.180 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -5.396 -9.785 -18.430 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -7.892 -8.784 -17.410 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.807 -10.737 -21.099 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -10.252 -9.565 -17.894 1.00 25.00 H new ATOM 801 N GLY A 52 -4.864 -6.089 -17.849 1.00 25.00 N ATOM 802 CA GLY A 52 -4.860 -5.385 -16.572 1.00 25.00 C ATOM 803 C GLY A 52 -4.022 -6.064 -15.504 1.00 25.00 C ATOM 804 O GLY A 52 -4.071 -5.692 -14.339 1.00 25.00 O ATOM 0 H GLY A 52 -4.307 -5.650 -18.582 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.486 -4.373 -16.726 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -5.885 -5.294 -16.214 1.00 25.00 H new ATOM 808 N ARG A 53 -3.241 -7.054 -15.907 1.00 25.00 N ATOM 809 CA ARG A 53 -2.336 -7.762 -15.006 1.00 25.00 C ATOM 810 C ARG A 53 -0.952 -7.519 -15.550 1.00 25.00 C ATOM 811 O ARG A 53 -0.813 -7.154 -16.713 1.00 25.00 O ATOM 812 CB ARG A 53 -2.631 -9.264 -15.009 1.00 25.00 C ATOM 813 CG ARG A 53 -4.024 -9.618 -14.521 1.00 25.00 C ATOM 814 CD ARG A 53 -4.203 -11.124 -14.513 1.00 25.00 C ATOM 815 NE ARG A 53 -5.549 -11.507 -14.056 1.00 25.00 N ATOM 816 CZ ARG A 53 -5.951 -12.753 -13.823 1.00 25.00 C ATOM 817 NH1 ARG A 53 -5.159 -13.786 -13.984 1.00 25.00 N ATOM 818 NH2 ARG A 53 -7.172 -12.961 -13.415 1.00 25.00 N ATOM 0 H ARG A 53 -3.214 -7.392 -16.869 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.447 -7.411 -13.980 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.503 -9.647 -16.021 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.897 -9.770 -14.381 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.179 -9.220 -13.518 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.772 -9.158 -15.166 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -4.033 -11.517 -15.516 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.455 -11.577 -13.862 1.00 25.00 H new ATOM 0 HE ARG A 53 -6.226 -10.759 -13.906 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -4.198 -13.648 -14.298 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -5.504 -14.727 -13.795 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -7.805 -12.173 -13.278 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -7.494 -13.912 -13.232 1.00 25.00 H new ATOM 832 N GLN A 54 0.067 -7.749 -14.745 1.00 25.00 N ATOM 833 CA GLN A 54 1.439 -7.630 -15.211 1.00 25.00 C ATOM 834 C GLN A 54 2.234 -8.747 -14.572 1.00 25.00 C ATOM 835 O GLN A 54 1.891 -9.204 -13.488 1.00 25.00 O ATOM 836 CB GLN A 54 2.026 -6.248 -14.886 1.00 25.00 C ATOM 837 CG GLN A 54 2.127 -5.922 -13.398 1.00 25.00 C ATOM 838 CD GLN A 54 2.638 -4.518 -13.162 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.144 -3.564 -13.737 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.636 -4.390 -12.329 1.00 25.00 N ATOM 0 H GLN A 54 -0.027 -8.019 -13.766 1.00 25.00 H new ATOM 0 HA GLN A 54 1.480 -7.720 -16.296 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.021 -6.180 -15.325 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.412 -5.487 -15.368 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.147 -6.034 -12.934 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.793 -6.637 -12.914 1.00 25.00 H new ATOM 0 HE21 GLN A 54 4.023 -5.213 -11.866 1.00 25.00 H new ATOM 0 HE22 GLN A 54 4.028 -3.467 -12.141 1.00 25.00 H new ATOM 849 N GLY A 55 3.255 -9.211 -15.272 1.00 25.00 N ATOM 850 CA GLY A 55 4.066 -10.314 -14.786 1.00 25.00 C ATOM 851 C GLY A 55 5.268 -10.535 -15.676 1.00 25.00 C ATOM 852 O GLY A 55 5.472 -9.793 -16.647 1.00 25.00 O ATOM 0 H GLY A 55 3.542 -8.841 -16.178 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.396 -10.107 -13.768 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.465 -11.223 -14.748 1.00 25.00 H new ATOM 856 N ILE A 56 6.080 -11.526 -15.350 1.00 25.00 N ATOM 857 CA ILE A 56 7.312 -11.783 -16.095 1.00 25.00 C ATOM 858 C ILE A 56 7.060 -12.594 -17.371 1.00 25.00 C ATOM 859 O ILE A 56 6.163 -13.442 -17.427 1.00 25.00 O ATOM 860 CB ILE A 56 8.384 -12.501 -15.202 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.936 -13.932 -14.821 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.656 -11.654 -13.929 1.00 25.00 C ATOM 863 CD1 ILE A 56 8.992 -14.752 -14.067 1.00 25.00 C ATOM 0 H ILE A 56 5.913 -12.169 -14.576 1.00 25.00 H new ATOM 0 HA ILE A 56 7.701 -10.809 -16.391 1.00 25.00 H new ATOM 0 HB ILE A 56 9.306 -12.591 -15.776 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.039 -13.866 -14.206 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.661 -14.467 -15.730 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.401 -12.155 -13.311 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.027 -10.671 -14.219 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.731 -11.541 -13.363 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.592 -15.740 -13.841 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.883 -14.854 -14.686 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.252 -14.244 -13.138 1.00 25.00 H new ATOM 875 N VAL A 57 7.851 -12.302 -18.397 1.00 25.00 N ATOM 876 CA VAL A 57 7.784 -12.996 -19.688 1.00 25.00 C ATOM 877 C VAL A 57 9.199 -13.155 -20.235 1.00 25.00 C ATOM 878 O VAL A 57 9.958 -12.181 -20.256 1.00 25.00 O ATOM 879 CB VAL A 57 6.991 -12.154 -20.745 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.976 -12.845 -22.113 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.581 -11.919 -20.289 1.00 25.00 C ATOM 0 H VAL A 57 8.563 -11.573 -18.361 1.00 25.00 H new ATOM 0 HA VAL A 57 7.290 -13.954 -19.526 1.00 25.00 H new ATOM 0 HB VAL A 57 7.502 -11.196 -20.844 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.418 -12.235 -22.823 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.999 -12.971 -22.468 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.501 -13.822 -22.022 1.00 25.00 H new ATOM 0 HG21 VAL A 57 5.049 -11.332 -21.038 1.00 25.00 H new ATOM 0 HG22 VAL A 57 5.078 -12.876 -20.154 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.590 -11.377 -19.343 1.00 25.00 H new ATOM 891 N PRO A 58 9.567 -14.347 -20.744 1.00 25.00 N ATOM 892 CA PRO A 58 10.858 -14.342 -21.442 1.00 25.00 C ATOM 893 C PRO A 58 10.743 -13.562 -22.768 1.00 25.00 C ATOM 894 O PRO A 58 9.991 -13.932 -23.673 1.00 25.00 O ATOM 895 CB PRO A 58 11.136 -15.829 -21.660 1.00 25.00 C ATOM 896 CG PRO A 58 9.786 -16.445 -21.756 1.00 25.00 C ATOM 897 CD PRO A 58 8.906 -15.666 -20.821 1.00 25.00 C ATOM 0 HA PRO A 58 11.662 -13.852 -20.894 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.715 -15.996 -22.568 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.708 -16.252 -20.834 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.408 -16.398 -22.777 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.817 -17.498 -21.476 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.888 -15.583 -21.203 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.841 -16.140 -19.842 1.00 25.00 H new ATOM 905 N GLY A 59 11.469 -12.459 -22.866 1.00 25.00 N ATOM 906 CA GLY A 59 11.359 -11.559 -24.004 1.00 25.00 C ATOM 907 C GLY A 59 11.835 -12.148 -25.309 1.00 25.00 C ATOM 908 O GLY A 59 11.462 -11.685 -26.377 1.00 25.00 O ATOM 0 H GLY A 59 12.147 -12.164 -22.164 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.318 -11.256 -24.114 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.933 -10.656 -23.795 1.00 25.00 H new ATOM 912 N ASN A 60 12.596 -13.228 -25.231 1.00 25.00 N ATOM 913 CA ASN A 60 13.061 -13.930 -26.430 1.00 25.00 C ATOM 914 C ASN A 60 11.909 -14.655 -27.146 1.00 25.00 C ATOM 915 O ASN A 60 12.092 -15.209 -28.225 1.00 25.00 O ATOM 916 CB ASN A 60 14.170 -14.924 -26.063 1.00 25.00 C ATOM 917 CG ASN A 60 15.443 -14.231 -25.627 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.795 -13.189 -26.142 1.00 25.00 O ATOM 919 ND2 ASN A 60 16.121 -14.801 -24.668 1.00 25.00 N ATOM 0 H ASN A 60 12.908 -13.642 -24.353 1.00 25.00 H new ATOM 0 HA ASN A 60 13.460 -13.185 -27.119 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.821 -15.575 -25.261 1.00 25.00 H new ATOM 0 HB3 ASN A 60 14.382 -15.561 -26.921 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.980 -14.371 -24.325 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.792 -15.677 -24.261 1.00 25.00 H new ATOM 926 N ARG A 61 10.716 -14.622 -26.559 1.00 25.00 N ATOM 927 CA ARG A 61 9.515 -15.186 -27.188 1.00 25.00 C ATOM 928 C ARG A 61 8.616 -14.072 -27.729 1.00 25.00 C ATOM 929 O ARG A 61 7.467 -14.329 -28.105 1.00 25.00 O ATOM 930 CB ARG A 61 8.731 -16.032 -26.173 1.00 25.00 C ATOM 931 CG ARG A 61 9.470 -17.281 -25.701 1.00 25.00 C ATOM 932 CD ARG A 61 8.534 -18.172 -24.884 1.00 25.00 C ATOM 933 NE ARG A 61 9.207 -19.370 -24.350 1.00 25.00 N ATOM 934 CZ ARG A 61 8.658 -20.241 -23.505 1.00 25.00 C ATOM 935 NH1 ARG A 61 7.439 -20.097 -23.057 1.00 25.00 N ATOM 936 NH2 ARG A 61 9.352 -21.266 -23.097 1.00 25.00 N ATOM 0 H ARG A 61 10.550 -14.208 -25.642 1.00 25.00 H new ATOM 0 HA ARG A 61 9.831 -15.819 -28.017 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.494 -15.414 -25.307 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.783 -16.331 -26.620 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.851 -17.833 -26.560 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.332 -16.996 -25.097 1.00 25.00 H new ATOM 0 HD2 ARG A 61 8.120 -17.595 -24.057 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.696 -18.480 -25.509 1.00 25.00 H new ATOM 0 HE ARG A 61 10.166 -19.545 -24.650 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.878 -19.299 -23.354 1.00 25.00 H new ATOM 0 HH12 ARG A 61 7.049 -20.783 -22.411 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.309 -21.397 -23.425 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.938 -21.937 -22.450 1.00 25.00 H new ATOM 950 N LEU A 62 9.121 -12.845 -27.750 1.00 25.00 N ATOM 951 CA LEU A 62 8.338 -11.679 -28.171 1.00 25.00 C ATOM 952 C LEU A 62 9.010 -10.926 -29.331 1.00 25.00 C ATOM 953 O LEU A 62 10.227 -10.935 -29.462 1.00 25.00 O ATOM 954 CB LEU A 62 8.181 -10.710 -26.985 1.00 25.00 C ATOM 955 CG LEU A 62 7.565 -11.226 -25.670 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.552 -10.095 -24.631 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.152 -11.742 -25.880 1.00 25.00 C ATOM 0 H LEU A 62 10.079 -12.625 -27.478 1.00 25.00 H new ATOM 0 HA LEU A 62 7.367 -12.041 -28.510 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.169 -10.314 -26.751 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.574 -9.871 -27.325 1.00 25.00 H new ATOM 0 HG LEU A 62 8.176 -12.055 -25.313 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.116 -10.460 -23.701 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.572 -9.759 -24.446 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.958 -9.262 -25.007 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.750 -12.098 -24.931 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.524 -10.937 -26.262 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.167 -12.562 -26.598 1.00 25.00 H new ATOM 969 N LYS A 63 8.212 -10.236 -30.141 1.00 25.00 N ATOM 970 CA LYS A 63 8.726 -9.393 -31.238 1.00 25.00 C ATOM 971 C LYS A 63 8.164 -7.978 -31.069 1.00 25.00 C ATOM 972 O LYS A 63 6.951 -7.787 -31.094 1.00 25.00 O ATOM 973 CB LYS A 63 8.332 -9.999 -32.604 1.00 25.00 C ATOM 974 CG LYS A 63 9.080 -9.411 -33.831 1.00 25.00 C ATOM 975 CD LYS A 63 8.341 -8.214 -34.451 1.00 25.00 C ATOM 976 CE LYS A 63 9.115 -7.565 -35.620 1.00 25.00 C ATOM 977 NZ LYS A 63 8.880 -8.218 -36.966 1.00 25.00 N ATOM 0 H LYS A 63 7.195 -10.239 -30.064 1.00 25.00 H new ATOM 0 HA LYS A 63 9.815 -9.349 -31.204 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.510 -11.074 -32.571 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.261 -9.858 -32.750 1.00 25.00 H new ATOM 0 HG2 LYS A 63 10.080 -9.100 -33.528 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.203 -10.189 -34.585 1.00 25.00 H new ATOM 0 HD2 LYS A 63 7.364 -8.542 -34.807 1.00 25.00 H new ATOM 0 HD3 LYS A 63 8.164 -7.465 -33.680 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.834 -6.514 -35.686 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.181 -7.597 -35.396 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 9.435 -7.723 -37.693 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 9.174 -9.215 -36.924 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 7.869 -8.165 -37.206 1.00 25.00 H new ATOM 991 N ILE A 64 9.042 -7.005 -30.867 1.00 25.00 N ATOM 992 CA ILE A 64 8.642 -5.605 -30.628 1.00 25.00 C ATOM 993 C ILE A 64 7.913 -5.017 -31.843 1.00 25.00 C ATOM 994 O ILE A 64 8.382 -5.145 -32.978 1.00 25.00 O ATOM 995 CB ILE A 64 9.904 -4.709 -30.335 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.678 -5.218 -29.095 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.508 -3.219 -30.141 1.00 25.00 C ATOM 998 CD1 ILE A 64 9.973 -5.005 -27.732 1.00 25.00 C ATOM 0 H ILE A 64 10.051 -7.152 -30.862 1.00 25.00 H new ATOM 0 HA ILE A 64 7.973 -5.609 -29.767 1.00 25.00 H new ATOM 0 HB ILE A 64 10.557 -4.781 -31.205 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.871 -6.283 -29.221 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.647 -4.720 -29.064 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.402 -2.628 -29.941 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.025 -2.850 -31.046 1.00 25.00 H new ATOM 0 HG23 ILE A 64 8.819 -3.132 -29.300 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.601 -5.397 -26.932 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.805 -3.940 -27.572 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.016 -5.528 -27.732 1.00 25.00 H new