USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 582 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 8 SER OG : rot 66:sc= 1.23 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0338 X(o=-0.034,f=-0.19) USER MOD Single : A 20 SER OG : rot 77:sc= 0.727 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 130:sc= -0.148 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= -0.0952 (180deg=-0.464) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.017 USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0.455 (180deg=0.397) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0051 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.176 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 1.785 -0.505 7.031 1.00 20.42 N ATOM 158 CA SER A 8 1.165 -1.445 6.093 1.00 61.45 C ATOM 159 C SER A 8 1.830 -2.834 6.233 1.00 42.42 C ATOM 160 O SER A 8 3.051 -2.938 6.220 1.00 41.10 O ATOM 161 CB SER A 8 1.239 -0.865 4.646 1.00 74.35 C ATOM 162 OG SER A 8 1.769 -1.784 3.707 1.00 42.42 O ATOM 0 HA SER A 8 0.108 -1.580 6.324 1.00 61.45 H new ATOM 0 HB2 SER A 8 0.240 -0.566 4.329 1.00 74.35 H new ATOM 0 HB3 SER A 8 1.854 0.035 4.652 1.00 74.35 H new ATOM 0 HG SER A 8 1.151 -2.538 3.603 1.00 42.42 H new ATOM 168 N ARG A 9 1.023 -3.895 6.419 1.00 71.33 N ATOM 169 CA ARG A 9 1.592 -5.273 6.591 1.00 22.54 C ATOM 170 C ARG A 9 0.752 -6.354 5.857 1.00 42.54 C ATOM 171 O ARG A 9 -0.420 -6.107 5.590 1.00 21.32 O ATOM 172 CB ARG A 9 1.751 -5.664 8.095 1.00 24.25 C ATOM 173 CG ARG A 9 0.444 -5.731 8.909 1.00 13.21 C ATOM 174 CD ARG A 9 0.505 -4.952 10.218 1.00 43.41 C ATOM 175 NE ARG A 9 -0.170 -3.654 10.113 1.00 61.15 N ATOM 176 CZ ARG A 9 -1.458 -3.426 10.430 1.00 14.00 C ATOM 177 NH1 ARG A 9 -2.245 -4.413 10.867 1.00 12.54 N ATOM 178 NH2 ARG A 9 -1.967 -2.204 10.294 1.00 60.25 N ATOM 0 H ARG A 9 0.005 -3.845 6.456 1.00 71.33 H new ATOM 0 HA ARG A 9 2.582 -5.239 6.136 1.00 22.54 H new ATOM 0 HB2 ARG A 9 2.241 -6.636 8.149 1.00 24.25 H new ATOM 0 HB3 ARG A 9 2.417 -4.944 8.570 1.00 24.25 H new ATOM 0 HG2 ARG A 9 -0.374 -5.343 8.302 1.00 13.21 H new ATOM 0 HG3 ARG A 9 0.213 -6.774 9.126 1.00 13.21 H new ATOM 0 HD2 ARG A 9 0.043 -5.539 11.012 1.00 43.41 H new ATOM 0 HD3 ARG A 9 1.546 -4.798 10.501 1.00 43.41 H new ATOM 0 HE ARG A 9 0.379 -2.864 9.774 1.00 61.15 H new ATOM 0 HH11 ARG A 9 -1.872 -5.357 10.965 1.00 12.54 H new ATOM 0 HH12 ARG A 9 -3.219 -4.222 11.103 1.00 12.54 H new ATOM 0 HH21 ARG A 9 -1.381 -1.443 9.950 1.00 60.25 H new ATOM 0 HH22 ARG A 9 -2.943 -2.028 10.533 1.00 60.25 H new ATOM 192 N ILE A 10 1.314 -7.566 5.552 1.00 31.21 N ATOM 193 CA ILE A 10 0.489 -8.671 5.050 1.00 1.44 C ATOM 194 C ILE A 10 0.500 -9.767 6.096 1.00 53.42 C ATOM 195 O ILE A 10 1.558 -9.999 6.748 1.00 23.25 O ATOM 196 CB ILE A 10 0.980 -9.270 3.649 1.00 13.42 C ATOM 197 CG1 ILE A 10 0.551 -8.350 2.478 1.00 30.33 C ATOM 198 CG2 ILE A 10 0.568 -10.765 3.380 1.00 1.11 C ATOM 199 CD1 ILE A 10 0.632 -8.926 1.062 1.00 23.20 C ATOM 0 H ILE A 10 2.306 -7.781 5.647 1.00 31.21 H new ATOM 0 HA ILE A 10 -0.511 -8.277 4.870 1.00 1.44 H new ATOM 0 HB ILE A 10 2.068 -9.293 3.715 1.00 13.42 H new ATOM 0 HG12 ILE A 10 -0.478 -8.037 2.656 1.00 30.33 H new ATOM 0 HG13 ILE A 10 1.168 -7.452 2.512 1.00 30.33 H new ATOM 0 HG21 ILE A 10 0.947 -11.077 2.407 1.00 1.11 H new ATOM 0 HG22 ILE A 10 0.990 -11.404 4.156 1.00 1.11 H new ATOM 0 HG23 ILE A 10 -0.519 -10.851 3.391 1.00 1.11 H new ATOM 0 HD11 ILE A 10 0.302 -8.175 0.344 1.00 23.20 H new ATOM 0 HD12 ILE A 10 1.661 -9.210 0.843 1.00 23.20 H new ATOM 0 HD13 ILE A 10 -0.010 -9.804 0.989 1.00 23.20 H new ATOM 211 N TYR A 11 -0.701 -10.359 6.295 1.00 54.14 N ATOM 212 CA TYR A 11 -0.871 -11.547 7.142 1.00 55.43 C ATOM 213 C TYR A 11 -1.023 -12.811 6.238 1.00 33.51 C ATOM 214 O TYR A 11 -2.015 -12.897 5.490 1.00 63.32 O ATOM 215 CB TYR A 11 -2.129 -11.365 8.028 1.00 32.22 C ATOM 216 CG TYR A 11 -2.187 -12.253 9.259 1.00 60.40 C ATOM 217 CD1 TYR A 11 -2.758 -13.526 9.226 1.00 44.22 C ATOM 218 CD2 TYR A 11 -1.685 -11.799 10.473 1.00 64.30 C ATOM 219 CE1 TYR A 11 -2.823 -14.308 10.367 1.00 41.23 C ATOM 220 CE2 TYR A 11 -1.744 -12.577 11.612 1.00 30.35 C ATOM 221 CZ TYR A 11 -2.314 -13.832 11.554 1.00 51.12 C ATOM 222 OH TYR A 11 -2.374 -14.611 12.687 1.00 43.13 O ATOM 0 H TYR A 11 -1.568 -10.025 5.874 1.00 54.14 H new ATOM 0 HA TYR A 11 0.001 -11.675 7.783 1.00 55.43 H new ATOM 0 HB2 TYR A 11 -2.181 -10.324 8.348 1.00 32.22 H new ATOM 0 HB3 TYR A 11 -3.013 -11.556 7.420 1.00 32.22 H new ATOM 0 HD1 TYR A 11 -3.155 -13.907 8.297 1.00 44.22 H new ATOM 0 HD2 TYR A 11 -1.239 -10.817 10.526 1.00 64.30 H new ATOM 0 HE1 TYR A 11 -3.272 -15.289 10.326 1.00 41.23 H new ATOM 0 HE2 TYR A 11 -1.346 -12.205 12.544 1.00 30.35 H new ATOM 0 HH TYR A 11 -1.970 -14.128 13.438 1.00 43.13 H new ATOM 232 N VAL A 12 -0.071 -13.796 6.250 1.00 72.12 N ATOM 233 CA VAL A 12 -0.241 -14.976 5.378 1.00 15.05 C ATOM 234 C VAL A 12 -0.155 -16.272 6.241 1.00 73.00 C ATOM 235 O VAL A 12 0.915 -16.642 6.714 1.00 43.54 O ATOM 236 CB VAL A 12 0.779 -14.940 4.119 1.00 12.52 C ATOM 237 CG1 VAL A 12 2.178 -14.579 4.556 1.00 50.42 C ATOM 238 CG2 VAL A 12 0.863 -16.250 3.310 1.00 53.35 C ATOM 0 H VAL A 12 0.772 -13.791 6.824 1.00 72.12 H new ATOM 0 HA VAL A 12 -1.232 -14.964 4.923 1.00 15.05 H new ATOM 0 HB VAL A 12 0.355 -14.177 3.466 1.00 12.52 H new ATOM 0 HG11 VAL A 12 2.838 -14.563 3.688 1.00 50.42 H new ATOM 0 HG12 VAL A 12 2.170 -13.594 5.024 1.00 50.42 H new ATOM 0 HG13 VAL A 12 2.538 -15.318 5.272 1.00 50.42 H new ATOM 0 HG21 VAL A 12 1.570 -16.126 2.490 1.00 53.35 H new ATOM 0 HG22 VAL A 12 1.199 -17.058 3.960 1.00 53.35 H new ATOM 0 HG23 VAL A 12 -0.120 -16.493 2.907 1.00 53.35 H new ATOM 248 N GLY A 13 -1.308 -16.938 6.486 1.00 15.25 N ATOM 249 CA GLY A 13 -1.305 -18.173 7.273 1.00 53.44 C ATOM 250 C GLY A 13 -1.737 -19.385 6.450 1.00 64.11 C ATOM 251 O GLY A 13 -2.250 -19.214 5.343 1.00 44.11 O ATOM 0 H GLY A 13 -2.226 -16.642 6.155 1.00 15.25 H new ATOM 0 HA2 GLY A 13 -0.305 -18.345 7.672 1.00 53.44 H new ATOM 0 HA3 GLY A 13 -1.973 -18.059 8.127 1.00 53.44 H new ATOM 255 N ASN A 14 -1.543 -20.614 6.994 1.00 35.12 N ATOM 256 CA ASN A 14 -1.859 -21.893 6.276 1.00 14.43 C ATOM 257 C ASN A 14 -1.252 -22.000 4.836 1.00 12.31 C ATOM 258 O ASN A 14 -1.759 -22.752 4.010 1.00 23.42 O ATOM 259 CB ASN A 14 -3.393 -22.098 6.214 1.00 53.03 C ATOM 260 CG ASN A 14 -4.074 -22.033 7.572 1.00 32.24 C ATOM 261 OD1 ASN A 14 -4.550 -20.975 7.990 1.00 51.14 O ATOM 262 ND2 ASN A 14 -4.129 -23.158 8.279 1.00 64.04 N ATOM 0 H ASN A 14 -1.168 -20.754 7.932 1.00 35.12 H new ATOM 0 HA ASN A 14 -1.384 -22.682 6.858 1.00 14.43 H new ATOM 0 HB2 ASN A 14 -3.826 -21.338 5.564 1.00 53.03 H new ATOM 0 HB3 ASN A 14 -3.603 -23.065 5.758 1.00 53.03 H new ATOM 0 HD21 ASN A 14 -4.575 -23.163 9.196 1.00 64.04 H new ATOM 0 HD22 ASN A 14 -3.725 -24.016 7.904 1.00 64.04 H new ATOM 269 N LEU A 15 -0.154 -21.272 4.569 1.00 33.41 N ATOM 270 CA LEU A 15 0.535 -21.298 3.275 1.00 61.24 C ATOM 271 C LEU A 15 1.356 -22.589 3.122 1.00 25.11 C ATOM 272 O LEU A 15 1.998 -23.031 4.085 1.00 21.24 O ATOM 273 CB LEU A 15 1.448 -20.036 3.100 1.00 33.02 C ATOM 274 CG LEU A 15 2.761 -19.956 3.934 1.00 54.40 C ATOM 275 CD1 LEU A 15 3.796 -19.055 3.249 1.00 1.30 C ATOM 276 CD2 LEU A 15 2.500 -19.447 5.354 1.00 5.14 C ATOM 0 H LEU A 15 0.279 -20.648 5.250 1.00 33.41 H new ATOM 0 HA LEU A 15 -0.221 -21.278 2.490 1.00 61.24 H new ATOM 0 HB2 LEU A 15 1.718 -19.964 2.046 1.00 33.02 H new ATOM 0 HB3 LEU A 15 0.849 -19.156 3.337 1.00 33.02 H new ATOM 0 HG LEU A 15 3.156 -20.970 3.998 1.00 54.40 H new ATOM 0 HD11 LEU A 15 4.702 -19.018 3.853 1.00 1.30 H new ATOM 0 HD12 LEU A 15 4.033 -19.457 2.264 1.00 1.30 H new ATOM 0 HD13 LEU A 15 3.389 -18.049 3.142 1.00 1.30 H new ATOM 0 HD21 LEU A 15 3.440 -19.405 5.904 1.00 5.14 H new ATOM 0 HD22 LEU A 15 2.062 -18.450 5.308 1.00 5.14 H new ATOM 0 HD23 LEU A 15 1.812 -20.123 5.862 1.00 5.14 H new ATOM 288 N PRO A 16 1.308 -23.252 1.935 1.00 1.20 N ATOM 289 CA PRO A 16 2.146 -24.428 1.682 1.00 12.33 C ATOM 290 C PRO A 16 3.632 -24.036 1.456 1.00 62.14 C ATOM 291 O PRO A 16 3.902 -23.217 0.571 1.00 51.15 O ATOM 292 CB PRO A 16 1.560 -25.024 0.392 1.00 41.22 C ATOM 293 CG PRO A 16 0.787 -23.933 -0.269 1.00 71.11 C ATOM 294 CD PRO A 16 0.414 -22.934 0.794 1.00 10.34 C ATOM 0 HA PRO A 16 2.142 -25.120 2.524 1.00 12.33 H new ATOM 0 HB2 PRO A 16 2.353 -25.388 -0.262 1.00 41.22 H new ATOM 0 HB3 PRO A 16 0.916 -25.874 0.616 1.00 41.22 H new ATOM 0 HG2 PRO A 16 1.383 -23.459 -1.048 1.00 71.11 H new ATOM 0 HG3 PRO A 16 -0.106 -24.333 -0.750 1.00 71.11 H new ATOM 0 HD2 PRO A 16 0.562 -21.911 0.447 1.00 10.34 H new ATOM 0 HD3 PRO A 16 -0.635 -23.026 1.074 1.00 10.34 H new ATOM 302 N SER A 17 4.582 -24.651 2.227 1.00 4.22 N ATOM 303 CA SER A 17 6.030 -24.298 2.205 1.00 3.12 C ATOM 304 C SER A 17 6.250 -22.825 2.612 1.00 51.30 C ATOM 305 O SER A 17 6.075 -21.903 1.804 1.00 14.45 O ATOM 306 CB SER A 17 6.725 -24.597 0.845 1.00 12.53 C ATOM 307 OG SER A 17 8.130 -24.409 0.945 1.00 11.23 O ATOM 0 H SER A 17 4.361 -25.404 2.879 1.00 4.22 H new ATOM 0 HA SER A 17 6.503 -24.948 2.942 1.00 3.12 H new ATOM 0 HB2 SER A 17 6.511 -25.621 0.540 1.00 12.53 H new ATOM 0 HB3 SER A 17 6.320 -23.943 0.073 1.00 12.53 H new ATOM 0 HG SER A 17 8.548 -24.603 0.080 1.00 11.23 H new ATOM 313 N HIS A 18 6.638 -22.615 3.877 1.00 43.11 N ATOM 314 CA HIS A 18 6.824 -21.258 4.420 1.00 40.12 C ATOM 315 C HIS A 18 7.973 -20.514 3.717 1.00 72.42 C ATOM 316 O HIS A 18 9.050 -21.076 3.486 1.00 30.44 O ATOM 317 CB HIS A 18 6.996 -21.267 5.971 1.00 23.43 C ATOM 318 CG HIS A 18 8.062 -22.178 6.518 1.00 51.31 C ATOM 319 ND1 HIS A 18 7.811 -23.477 6.911 1.00 61.50 N ATOM 320 CD2 HIS A 18 9.380 -21.968 6.742 1.00 72.14 C ATOM 321 CE1 HIS A 18 8.929 -24.025 7.351 1.00 13.44 C ATOM 322 NE2 HIS A 18 9.895 -23.129 7.258 1.00 21.54 N ATOM 0 H HIS A 18 6.829 -23.363 4.543 1.00 43.11 H new ATOM 0 HA HIS A 18 5.910 -20.703 4.209 1.00 40.12 H new ATOM 0 HB2 HIS A 18 7.215 -20.250 6.297 1.00 23.43 H new ATOM 0 HB3 HIS A 18 6.043 -21.548 6.419 1.00 23.43 H new ATOM 0 HD2 HIS A 18 9.925 -21.055 6.550 1.00 72.14 H new ATOM 0 HE1 HIS A 18 9.035 -25.033 7.723 1.00 13.44 H new ATOM 0 HE2 HIS A 18 10.868 -23.277 7.527 1.00 21.54 H new ATOM 331 N VAL A 19 7.679 -19.266 3.342 1.00 53.12 N ATOM 332 CA VAL A 19 8.603 -18.394 2.595 1.00 22.43 C ATOM 333 C VAL A 19 9.849 -18.051 3.494 1.00 4.12 C ATOM 334 O VAL A 19 9.670 -17.556 4.614 1.00 11.14 O ATOM 335 CB VAL A 19 7.803 -17.109 2.072 1.00 55.23 C ATOM 336 CG1 VAL A 19 6.814 -17.490 0.960 1.00 61.31 C ATOM 337 CG2 VAL A 19 7.026 -16.402 3.188 1.00 34.53 C ATOM 0 H VAL A 19 6.784 -18.823 3.549 1.00 53.12 H new ATOM 0 HA VAL A 19 8.997 -18.898 1.712 1.00 22.43 H new ATOM 0 HB VAL A 19 8.559 -16.425 1.688 1.00 55.23 H new ATOM 0 HG11 VAL A 19 6.284 -16.599 0.623 1.00 61.31 H new ATOM 0 HG12 VAL A 19 7.358 -17.927 0.123 1.00 61.31 H new ATOM 0 HG13 VAL A 19 6.097 -18.215 1.344 1.00 61.31 H new ATOM 0 HG21 VAL A 19 6.503 -15.539 2.777 1.00 34.53 H new ATOM 0 HG22 VAL A 19 6.302 -17.092 3.621 1.00 34.53 H new ATOM 0 HG23 VAL A 19 7.720 -16.071 3.961 1.00 34.53 H new ATOM 347 N SER A 20 11.109 -18.386 3.052 1.00 1.33 N ATOM 348 CA SER A 20 12.316 -18.149 3.890 1.00 23.35 C ATOM 349 C SER A 20 12.752 -16.672 3.807 1.00 63.31 C ATOM 350 O SER A 20 12.428 -16.012 2.815 1.00 54.41 O ATOM 351 CB SER A 20 13.464 -19.133 3.463 1.00 41.32 C ATOM 352 OG SER A 20 13.033 -19.991 2.422 1.00 64.40 O ATOM 0 H SER A 20 11.301 -18.809 2.144 1.00 1.33 H new ATOM 0 HA SER A 20 12.078 -18.351 4.934 1.00 23.35 H new ATOM 0 HB2 SER A 20 14.333 -18.563 3.134 1.00 41.32 H new ATOM 0 HB3 SER A 20 13.778 -19.726 4.322 1.00 41.32 H new ATOM 0 HG SER A 20 13.036 -19.502 1.573 1.00 64.40 H new ATOM 358 N SER A 21 13.453 -16.157 4.872 1.00 12.43 N ATOM 359 CA SER A 21 13.826 -14.731 4.992 1.00 1.33 C ATOM 360 C SER A 21 14.456 -14.083 3.730 1.00 51.23 C ATOM 361 O SER A 21 14.061 -12.967 3.361 1.00 72.14 O ATOM 362 CB SER A 21 14.789 -14.552 6.180 1.00 63.23 C ATOM 363 OG SER A 21 15.868 -15.479 6.134 1.00 53.52 O ATOM 0 H SER A 21 13.766 -16.727 5.658 1.00 12.43 H new ATOM 0 HA SER A 21 12.881 -14.209 5.141 1.00 1.33 H new ATOM 0 HB2 SER A 21 15.183 -13.536 6.178 1.00 63.23 H new ATOM 0 HB3 SER A 21 14.241 -14.679 7.114 1.00 63.23 H new ATOM 0 HG SER A 21 16.458 -15.333 6.903 1.00 53.52 H new ATOM 369 N ARG A 22 15.455 -14.744 3.108 1.00 31.52 N ATOM 370 CA ARG A 22 16.051 -14.238 1.828 1.00 24.25 C ATOM 371 C ARG A 22 14.996 -13.996 0.662 1.00 52.24 C ATOM 372 O ARG A 22 15.007 -12.903 -0.013 1.00 34.30 O ATOM 373 CB ARG A 22 17.305 -15.100 1.381 1.00 2.32 C ATOM 374 CG ARG A 22 17.579 -15.245 -0.130 1.00 13.52 C ATOM 375 CD ARG A 22 16.900 -16.472 -0.747 1.00 23.42 C ATOM 376 NE ARG A 22 17.886 -17.432 -1.251 1.00 10.34 N ATOM 377 CZ ARG A 22 18.540 -17.318 -2.418 1.00 31.43 C ATOM 378 NH1 ARG A 22 18.326 -16.272 -3.227 1.00 23.24 N ATOM 379 NH2 ARG A 22 19.428 -18.248 -2.758 1.00 14.53 N ATOM 0 H ARG A 22 15.867 -15.611 3.452 1.00 31.52 H new ATOM 0 HA ARG A 22 16.422 -13.237 2.050 1.00 24.25 H new ATOM 0 HB2 ARG A 22 18.192 -14.664 1.841 1.00 2.32 H new ATOM 0 HB3 ARG A 22 17.189 -16.101 1.797 1.00 2.32 H new ATOM 0 HG2 ARG A 22 17.233 -14.348 -0.644 1.00 13.52 H new ATOM 0 HG3 ARG A 22 18.655 -15.311 -0.294 1.00 13.52 H new ATOM 0 HD2 ARG A 22 16.269 -16.954 -0.000 1.00 23.42 H new ATOM 0 HD3 ARG A 22 16.247 -16.157 -1.561 1.00 23.42 H new ATOM 0 HE ARG A 22 18.090 -18.247 -0.673 1.00 10.34 H new ATOM 0 HH11 ARG A 22 17.659 -15.548 -2.959 1.00 23.24 H new ATOM 0 HH12 ARG A 22 18.830 -16.199 -4.111 1.00 23.24 H new ATOM 0 HH21 ARG A 22 19.605 -19.036 -2.135 1.00 14.53 H new ATOM 0 HH22 ARG A 22 19.932 -18.173 -3.642 1.00 14.53 H new ATOM 393 N ASP A 23 14.076 -14.988 0.437 1.00 20.23 N ATOM 394 CA ASP A 23 13.023 -14.885 -0.595 1.00 32.33 C ATOM 395 C ASP A 23 12.058 -13.738 -0.254 1.00 74.22 C ATOM 396 O ASP A 23 11.636 -13.030 -1.190 1.00 5.11 O ATOM 397 CB ASP A 23 12.255 -16.233 -0.820 1.00 33.10 C ATOM 398 CG ASP A 23 13.193 -17.428 -0.779 1.00 35.32 C ATOM 399 OD1 ASP A 23 13.836 -17.714 -1.810 1.00 30.22 O ATOM 400 OD2 ASP A 23 13.307 -18.062 0.287 1.00 51.12 O ATOM 0 H ASP A 23 14.054 -15.862 0.963 1.00 20.23 H new ATOM 0 HA ASP A 23 13.517 -14.662 -1.541 1.00 32.33 H new ATOM 0 HB2 ASP A 23 11.487 -16.347 -0.055 1.00 33.10 H new ATOM 0 HB3 ASP A 23 11.744 -16.204 -1.782 1.00 33.10 H new ATOM 405 N VAL A 24 11.758 -13.488 1.075 1.00 42.01 N ATOM 406 CA VAL A 24 10.957 -12.350 1.436 1.00 22.40 C ATOM 407 C VAL A 24 11.698 -11.053 1.138 1.00 21.43 C ATOM 408 O VAL A 24 11.065 -10.182 0.533 1.00 4.33 O ATOM 409 CB VAL A 24 10.398 -12.320 2.918 1.00 42.13 C ATOM 410 CG1 VAL A 24 9.105 -11.586 2.964 1.00 72.11 C ATOM 411 CG2 VAL A 24 10.165 -13.662 3.619 1.00 61.01 C ATOM 0 H VAL A 24 12.068 -14.064 1.858 1.00 42.01 H new ATOM 0 HA VAL A 24 10.071 -12.451 0.809 1.00 22.40 H new ATOM 0 HB VAL A 24 11.209 -11.833 3.460 1.00 42.13 H new ATOM 0 HG11 VAL A 24 8.731 -11.572 3.988 1.00 72.11 H new ATOM 0 HG12 VAL A 24 9.255 -10.563 2.618 1.00 72.11 H new ATOM 0 HG13 VAL A 24 8.381 -12.084 2.320 1.00 72.11 H new ATOM 0 HG21 VAL A 24 9.782 -13.486 4.624 1.00 61.01 H new ATOM 0 HG22 VAL A 24 9.441 -14.248 3.052 1.00 61.01 H new ATOM 0 HG23 VAL A 24 11.106 -14.209 3.680 1.00 61.01 H new ATOM 421 N GLU A 25 13.022 -10.911 1.472 1.00 72.35 N ATOM 422 CA GLU A 25 13.707 -9.677 1.132 1.00 72.10 C ATOM 423 C GLU A 25 13.603 -9.394 -0.375 1.00 42.31 C ATOM 424 O GLU A 25 13.033 -8.373 -0.705 1.00 5.32 O ATOM 425 CB GLU A 25 15.193 -9.637 1.530 1.00 62.13 C ATOM 426 CG GLU A 25 15.718 -8.237 1.891 1.00 34.44 C ATOM 427 CD GLU A 25 17.117 -8.006 1.373 1.00 52.24 C ATOM 428 OE1 GLU A 25 17.255 -7.568 0.213 1.00 23.14 O ATOM 429 OE2 GLU A 25 18.078 -8.243 2.129 1.00 12.35 O ATOM 0 H GLU A 25 13.587 -11.612 1.951 1.00 72.35 H new ATOM 0 HA GLU A 25 13.197 -8.911 1.716 1.00 72.10 H new ATOM 0 HB2 GLU A 25 15.346 -10.300 2.382 1.00 62.13 H new ATOM 0 HB3 GLU A 25 15.788 -10.033 0.707 1.00 62.13 H new ATOM 0 HG2 GLU A 25 15.049 -7.482 1.478 1.00 34.44 H new ATOM 0 HG3 GLU A 25 15.708 -8.114 2.974 1.00 34.44 H new ATOM 436 N ASN A 26 14.024 -10.292 -1.314 1.00 62.44 N ATOM 437 CA ASN A 26 13.929 -9.850 -2.735 1.00 14.24 C ATOM 438 C ASN A 26 12.531 -9.979 -3.407 1.00 21.11 C ATOM 439 O ASN A 26 11.915 -8.933 -3.855 1.00 74.11 O ATOM 440 CB ASN A 26 15.015 -10.450 -3.631 1.00 50.22 C ATOM 441 CG ASN A 26 16.260 -9.591 -3.600 1.00 74.44 C ATOM 442 OD1 ASN A 26 16.426 -8.698 -4.432 1.00 60.13 O ATOM 443 ND2 ASN A 26 17.120 -9.822 -2.622 1.00 33.04 N ATOM 0 H ASN A 26 14.394 -11.227 -1.143 1.00 62.44 H new ATOM 0 HA ASN A 26 14.103 -8.778 -2.646 1.00 14.24 H new ATOM 0 HB2 ASN A 26 15.254 -11.460 -3.297 1.00 50.22 H new ATOM 0 HB3 ASN A 26 14.647 -10.531 -4.654 1.00 50.22 H new ATOM 0 HD21 ASN A 26 17.960 -9.250 -2.536 1.00 33.04 H new ATOM 0 HD22 ASN A 26 16.943 -10.572 -1.954 1.00 33.04 H new ATOM 450 N GLU A 27 11.957 -11.205 -3.427 1.00 52.11 N ATOM 451 CA GLU A 27 10.701 -11.393 -4.116 1.00 33.31 C ATOM 452 C GLU A 27 9.554 -10.663 -3.393 1.00 1.11 C ATOM 453 O GLU A 27 8.578 -10.280 -4.041 1.00 33.31 O ATOM 454 CB GLU A 27 10.416 -12.897 -4.285 1.00 31.11 C ATOM 455 CG GLU A 27 9.453 -13.282 -5.421 1.00 54.42 C ATOM 456 CD GLU A 27 9.872 -12.701 -6.765 1.00 15.12 C ATOM 457 OE1 GLU A 27 10.720 -13.316 -7.447 1.00 25.23 O ATOM 458 OE2 GLU A 27 9.362 -11.622 -7.137 1.00 4.45 O ATOM 0 H GLU A 27 12.343 -12.039 -2.985 1.00 52.11 H new ATOM 0 HA GLU A 27 10.773 -10.951 -5.110 1.00 33.31 H new ATOM 0 HB2 GLU A 27 11.364 -13.409 -4.451 1.00 31.11 H new ATOM 0 HB3 GLU A 27 10.009 -13.276 -3.348 1.00 31.11 H new ATOM 0 HG2 GLU A 27 9.404 -14.368 -5.498 1.00 54.42 H new ATOM 0 HG3 GLU A 27 8.450 -12.934 -5.176 1.00 54.42 H new ATOM 465 N PHE A 28 9.637 -10.443 -2.052 1.00 73.41 N ATOM 466 CA PHE A 28 8.616 -9.643 -1.426 1.00 62.34 C ATOM 467 C PHE A 28 8.945 -8.114 -1.366 1.00 4.45 C ATOM 468 O PHE A 28 8.016 -7.321 -1.156 1.00 30.11 O ATOM 469 CB PHE A 28 8.180 -10.202 -0.079 1.00 32.34 C ATOM 470 CG PHE A 28 7.158 -11.333 -0.140 1.00 40.14 C ATOM 471 CD1 PHE A 28 5.809 -11.030 -0.158 1.00 32.33 C ATOM 472 CD2 PHE A 28 7.525 -12.684 -0.148 1.00 53.31 C ATOM 473 CE1 PHE A 28 4.852 -12.026 -0.179 1.00 23.43 C ATOM 474 CE2 PHE A 28 6.563 -13.679 -0.189 1.00 70.21 C ATOM 475 CZ PHE A 28 5.229 -13.350 -0.205 1.00 2.43 C ATOM 0 H PHE A 28 10.368 -10.798 -1.435 1.00 73.41 H new ATOM 0 HA PHE A 28 7.755 -9.717 -2.091 1.00 62.34 H new ATOM 0 HB2 PHE A 28 9.063 -10.561 0.449 1.00 32.34 H new ATOM 0 HB3 PHE A 28 7.762 -9.389 0.515 1.00 32.34 H new ATOM 0 HD1 PHE A 28 5.498 -9.996 -0.156 1.00 32.33 H new ATOM 0 HD2 PHE A 28 8.571 -12.953 -0.122 1.00 53.31 H new ATOM 0 HE1 PHE A 28 3.804 -11.765 -0.175 1.00 23.43 H new ATOM 0 HE2 PHE A 28 6.862 -14.717 -0.208 1.00 70.21 H new ATOM 0 HZ PHE A 28 4.479 -14.127 -0.238 1.00 2.43 H new ATOM 485 N ARG A 29 10.260 -7.681 -1.440 1.00 25.22 N ATOM 486 CA ARG A 29 10.561 -6.240 -1.745 1.00 22.03 C ATOM 487 C ARG A 29 9.884 -5.766 -3.031 1.00 32.24 C ATOM 488 O ARG A 29 9.646 -4.559 -3.144 1.00 33.30 O ATOM 489 CB ARG A 29 12.083 -5.781 -1.762 1.00 43.34 C ATOM 490 CG ARG A 29 12.971 -6.148 -3.002 1.00 33.30 C ATOM 491 CD ARG A 29 12.816 -5.180 -4.196 1.00 50.31 C ATOM 492 NE ARG A 29 13.613 -5.584 -5.355 1.00 65.43 N ATOM 493 CZ ARG A 29 13.880 -4.797 -6.405 1.00 72.01 C ATOM 494 NH1 ARG A 29 13.416 -3.548 -6.449 1.00 3.33 N ATOM 495 NH2 ARG A 29 14.614 -5.260 -7.416 1.00 31.30 N ATOM 0 H ARG A 29 11.077 -8.275 -1.301 1.00 25.22 H new ATOM 0 HA ARG A 29 10.136 -5.753 -0.867 1.00 22.03 H new ATOM 0 HB2 ARG A 29 12.102 -4.697 -1.653 1.00 43.34 H new ATOM 0 HB3 ARG A 29 12.563 -6.199 -0.877 1.00 43.34 H new ATOM 0 HG2 ARG A 29 14.017 -6.165 -2.695 1.00 33.30 H new ATOM 0 HG3 ARG A 29 12.719 -7.156 -3.330 1.00 33.30 H new ATOM 0 HD2 ARG A 29 11.766 -5.128 -4.482 1.00 50.31 H new ATOM 0 HD3 ARG A 29 13.113 -4.178 -3.887 1.00 50.31 H new ATOM 0 HE ARG A 29 13.992 -6.531 -5.364 1.00 65.43 H new ATOM 0 HH11 ARG A 29 12.853 -3.186 -5.679 1.00 3.33 H new ATOM 0 HH12 ARG A 29 13.624 -2.955 -7.252 1.00 3.33 H new ATOM 0 HH21 ARG A 29 14.973 -6.214 -7.390 1.00 31.30 H new ATOM 0 HH22 ARG A 29 14.817 -4.660 -8.216 1.00 31.30 H new ATOM 509 N LYS A 30 9.621 -6.670 -4.032 1.00 40.41 N ATOM 510 CA LYS A 30 8.719 -6.241 -5.175 1.00 60.40 C ATOM 511 C LYS A 30 7.360 -5.643 -4.710 1.00 12.21 C ATOM 512 O LYS A 30 6.892 -4.698 -5.354 1.00 0.45 O ATOM 513 CB LYS A 30 8.593 -7.367 -6.317 1.00 44.53 C ATOM 514 CG LYS A 30 7.215 -7.710 -7.006 1.00 43.10 C ATOM 515 CD LYS A 30 6.524 -6.537 -7.705 1.00 62.33 C ATOM 516 CE LYS A 30 5.084 -6.846 -8.082 1.00 21.12 C ATOM 517 NZ LYS A 30 5.004 -7.736 -9.265 1.00 64.25 N ATOM 0 H LYS A 30 9.982 -7.623 -4.082 1.00 40.41 H new ATOM 0 HA LYS A 30 9.221 -5.401 -5.655 1.00 60.40 H new ATOM 0 HB2 LYS A 30 9.281 -7.085 -7.114 1.00 44.53 H new ATOM 0 HB3 LYS A 30 8.968 -8.295 -5.886 1.00 44.53 H new ATOM 0 HG2 LYS A 30 7.380 -8.501 -7.737 1.00 43.10 H new ATOM 0 HG3 LYS A 30 6.539 -8.110 -6.250 1.00 43.10 H new ATOM 0 HD2 LYS A 30 6.545 -5.666 -7.051 1.00 62.33 H new ATOM 0 HD3 LYS A 30 7.082 -6.274 -8.604 1.00 62.33 H new ATOM 0 HE2 LYS A 30 4.580 -7.317 -7.238 1.00 21.12 H new ATOM 0 HE3 LYS A 30 4.555 -5.916 -8.290 1.00 21.12 H new ATOM 0 HZ1 LYS A 30 4.006 -7.924 -9.491 1.00 64.25 H new ATOM 0 HZ2 LYS A 30 5.463 -7.276 -10.077 1.00 64.25 H new ATOM 0 HZ3 LYS A 30 5.487 -8.633 -9.058 1.00 64.25 H new ATOM 531 N TYR A 31 6.817 -6.035 -3.549 1.00 24.34 N ATOM 532 CA TYR A 31 5.425 -5.724 -3.240 1.00 2.31 C ATOM 533 C TYR A 31 5.268 -4.271 -2.734 1.00 44.21 C ATOM 534 O TYR A 31 4.383 -3.569 -3.206 1.00 13.12 O ATOM 535 CB TYR A 31 4.908 -6.707 -2.189 1.00 62.00 C ATOM 536 CG TYR A 31 4.564 -8.134 -2.622 1.00 2.30 C ATOM 537 CD1 TYR A 31 5.409 -8.911 -3.430 1.00 24.44 C ATOM 538 CD2 TYR A 31 3.412 -8.743 -2.127 1.00 31.32 C ATOM 539 CE1 TYR A 31 5.112 -10.221 -3.719 1.00 63.00 C ATOM 540 CE2 TYR A 31 3.106 -10.059 -2.442 1.00 22.13 C ATOM 541 CZ TYR A 31 3.972 -10.785 -3.237 1.00 50.11 C ATOM 542 OH TYR A 31 3.726 -12.100 -3.510 1.00 12.15 O ATOM 0 H TYR A 31 7.312 -6.557 -2.826 1.00 24.34 H new ATOM 0 HA TYR A 31 4.839 -5.819 -4.154 1.00 2.31 H new ATOM 0 HB2 TYR A 31 5.658 -6.773 -1.401 1.00 62.00 H new ATOM 0 HB3 TYR A 31 4.014 -6.273 -1.742 1.00 62.00 H new ATOM 0 HD1 TYR A 31 6.310 -8.471 -3.832 1.00 24.44 H new ATOM 0 HD2 TYR A 31 2.747 -8.181 -1.488 1.00 31.32 H new ATOM 0 HE1 TYR A 31 5.785 -10.804 -4.330 1.00 63.00 H new ATOM 0 HE2 TYR A 31 2.199 -10.512 -2.069 1.00 22.13 H new ATOM 0 HH TYR A 31 3.501 -12.570 -2.680 1.00 12.15 H new ATOM 552 N GLY A 32 6.138 -3.785 -1.836 1.00 53.41 N ATOM 553 CA GLY A 32 6.216 -2.348 -1.684 1.00 64.14 C ATOM 554 C GLY A 32 7.382 -1.870 -0.853 1.00 64.21 C ATOM 555 O GLY A 32 7.183 -0.981 -0.039 1.00 72.01 O ATOM 0 H GLY A 32 6.758 -4.336 -1.242 1.00 53.41 H new ATOM 0 HA2 GLY A 32 6.280 -1.893 -2.673 1.00 64.14 H new ATOM 0 HA3 GLY A 32 5.292 -1.993 -1.229 1.00 64.14 H new ATOM 559 N ASN A 33 8.592 -2.443 -1.087 1.00 22.23 N ATOM 560 CA ASN A 33 9.824 -2.106 -0.342 1.00 24.24 C ATOM 561 C ASN A 33 9.631 -2.412 1.158 1.00 32.01 C ATOM 562 O ASN A 33 9.185 -1.566 1.943 1.00 24.24 O ATOM 563 CB ASN A 33 10.264 -0.645 -0.553 1.00 44.23 C ATOM 564 CG ASN A 33 11.766 -0.438 -0.413 1.00 53.02 C ATOM 565 OD1 ASN A 33 12.295 -0.256 0.687 1.00 4.41 O ATOM 566 ND2 ASN A 33 12.458 -0.424 -1.543 1.00 30.32 N ATOM 0 H ASN A 33 8.736 -3.155 -1.803 1.00 22.23 H new ATOM 0 HA ASN A 33 10.626 -2.729 -0.737 1.00 24.24 H new ATOM 0 HB2 ASN A 33 9.951 -0.319 -1.545 1.00 44.23 H new ATOM 0 HB3 ASN A 33 9.749 -0.011 0.168 1.00 44.23 H new ATOM 0 HD21 ASN A 33 13.464 -0.259 -1.523 1.00 30.32 H new ATOM 0 HD22 ASN A 33 11.984 -0.579 -2.433 1.00 30.32 H new ATOM 573 N ILE A 34 9.919 -3.654 1.517 1.00 50.40 N ATOM 574 CA ILE A 34 9.751 -4.123 2.923 1.00 61.02 C ATOM 575 C ILE A 34 10.756 -3.436 3.907 1.00 21.50 C ATOM 576 O ILE A 34 11.918 -3.221 3.554 1.00 52.40 O ATOM 577 CB ILE A 34 9.801 -5.730 3.045 1.00 10.32 C ATOM 578 CG1 ILE A 34 10.495 -6.267 4.344 1.00 52.45 C ATOM 579 CG2 ILE A 34 10.411 -6.381 1.810 1.00 70.43 C ATOM 580 CD1 ILE A 34 12.016 -6.463 4.282 1.00 34.04 C ATOM 0 H ILE A 34 10.269 -4.365 0.875 1.00 50.40 H new ATOM 0 HA ILE A 34 8.751 -3.813 3.226 1.00 61.02 H new ATOM 0 HB ILE A 34 8.754 -6.023 3.119 1.00 10.32 H new ATOM 0 HG12 ILE A 34 10.274 -5.577 5.158 1.00 52.45 H new ATOM 0 HG13 ILE A 34 10.039 -7.222 4.603 1.00 52.45 H new ATOM 0 HG21 ILE A 34 10.424 -7.463 1.938 1.00 70.43 H new ATOM 0 HG22 ILE A 34 9.816 -6.126 0.933 1.00 70.43 H new ATOM 0 HG23 ILE A 34 11.430 -6.020 1.674 1.00 70.43 H new ATOM 0 HD11 ILE A 34 12.374 -6.837 5.241 1.00 34.04 H new ATOM 0 HD12 ILE A 34 12.259 -7.181 3.499 1.00 34.04 H new ATOM 0 HD13 ILE A 34 12.497 -5.510 4.062 1.00 34.04 H new ATOM 592 N LEU A 35 10.285 -3.041 5.129 1.00 65.33 N ATOM 593 CA LEU A 35 11.212 -2.522 6.170 1.00 1.25 C ATOM 594 C LEU A 35 11.458 -3.614 7.238 1.00 54.43 C ATOM 595 O LEU A 35 12.509 -3.631 7.886 1.00 14.15 O ATOM 596 CB LEU A 35 10.788 -1.179 6.905 1.00 72.15 C ATOM 597 CG LEU A 35 9.738 -0.206 6.275 1.00 64.40 C ATOM 598 CD1 LEU A 35 10.082 0.230 4.850 1.00 35.11 C ATOM 599 CD2 LEU A 35 8.323 -0.770 6.351 1.00 33.14 C ATOM 0 H LEU A 35 9.304 -3.072 5.406 1.00 65.33 H new ATOM 0 HA LEU A 35 12.112 -2.264 5.612 1.00 1.25 H new ATOM 0 HB2 LEU A 35 10.411 -1.460 7.888 1.00 72.15 H new ATOM 0 HB3 LEU A 35 11.699 -0.603 7.065 1.00 72.15 H new ATOM 0 HG LEU A 35 9.778 0.696 6.886 1.00 64.40 H new ATOM 0 HD11 LEU A 35 9.309 0.903 4.479 1.00 35.11 H new ATOM 0 HD12 LEU A 35 11.043 0.745 4.849 1.00 35.11 H new ATOM 0 HD13 LEU A 35 10.139 -0.647 4.205 1.00 35.11 H new ATOM 0 HD21 LEU A 35 7.625 -0.063 5.903 1.00 33.14 H new ATOM 0 HD22 LEU A 35 8.279 -1.716 5.811 1.00 33.14 H new ATOM 0 HD23 LEU A 35 8.053 -0.935 7.394 1.00 33.14 H new ATOM 611 N LYS A 36 10.482 -4.532 7.404 1.00 50.02 N ATOM 612 CA LYS A 36 10.511 -5.554 8.471 1.00 41.12 C ATOM 613 C LYS A 36 9.772 -6.843 7.992 1.00 30.35 C ATOM 614 O LYS A 36 8.726 -6.725 7.354 1.00 51.24 O ATOM 615 CB LYS A 36 9.829 -4.997 9.739 1.00 11.30 C ATOM 616 CG LYS A 36 10.425 -5.550 11.029 1.00 51.11 C ATOM 617 CD LYS A 36 9.458 -5.470 12.209 1.00 2.11 C ATOM 618 CE LYS A 36 8.991 -6.852 12.688 1.00 64.22 C ATOM 619 NZ LYS A 36 10.126 -7.726 13.099 1.00 41.42 N ATOM 0 H LYS A 36 9.657 -4.585 6.806 1.00 50.02 H new ATOM 0 HA LYS A 36 11.546 -5.805 8.701 1.00 41.12 H new ATOM 0 HB2 LYS A 36 9.914 -3.910 9.743 1.00 11.30 H new ATOM 0 HB3 LYS A 36 8.765 -5.233 9.706 1.00 11.30 H new ATOM 0 HG2 LYS A 36 10.716 -6.589 10.873 1.00 51.11 H new ATOM 0 HG3 LYS A 36 11.333 -4.997 11.271 1.00 51.11 H new ATOM 0 HD2 LYS A 36 9.942 -4.948 13.035 1.00 2.11 H new ATOM 0 HD3 LYS A 36 8.590 -4.877 11.922 1.00 2.11 H new ATOM 0 HE2 LYS A 36 8.308 -6.730 13.528 1.00 64.22 H new ATOM 0 HE3 LYS A 36 8.431 -7.340 11.890 1.00 64.22 H new ATOM 0 HZ1 LYS A 36 9.796 -8.414 13.806 1.00 41.42 H new ATOM 0 HZ2 LYS A 36 10.493 -8.233 12.268 1.00 41.42 H new ATOM 0 HZ3 LYS A 36 10.882 -7.142 13.510 1.00 41.42 H new ATOM 633 N CYS A 37 10.312 -8.067 8.259 1.00 10.14 N ATOM 634 CA CYS A 37 9.629 -9.320 7.897 1.00 63.23 C ATOM 635 C CYS A 37 9.825 -10.332 9.002 1.00 2.23 C ATOM 636 O CYS A 37 10.950 -10.791 9.234 1.00 41.12 O ATOM 637 CB CYS A 37 10.160 -9.890 6.560 1.00 52.42 C ATOM 638 SG CYS A 37 11.905 -9.551 6.235 1.00 71.14 S ATOM 0 H CYS A 37 11.212 -8.200 8.720 1.00 10.14 H new ATOM 0 HA CYS A 37 8.567 -9.108 7.769 1.00 63.23 H new ATOM 0 HB2 CYS A 37 10.006 -10.969 6.554 1.00 52.42 H new ATOM 0 HB3 CYS A 37 9.566 -9.479 5.744 1.00 52.42 H new ATOM 0 HG CYS A 37 12.243 -10.074 5.094 1.00 71.14 H new ATOM 644 N ASP A 38 8.766 -10.652 9.735 1.00 53.05 N ATOM 645 CA ASP A 38 8.938 -11.697 10.785 1.00 55.33 C ATOM 646 C ASP A 38 8.229 -13.021 10.434 1.00 44.55 C ATOM 647 O ASP A 38 7.173 -13.025 9.794 1.00 34.12 O ATOM 648 CB ASP A 38 8.504 -11.196 12.175 1.00 64.51 C ATOM 649 CG ASP A 38 9.374 -11.726 13.298 1.00 73.33 C ATOM 650 OD1 ASP A 38 9.340 -12.936 13.594 1.00 64.32 O ATOM 651 OD2 ASP A 38 10.091 -10.907 13.908 1.00 55.00 O ATOM 0 H ASP A 38 7.834 -10.248 9.649 1.00 53.05 H new ATOM 0 HA ASP A 38 10.007 -11.906 10.821 1.00 55.33 H new ATOM 0 HB2 ASP A 38 8.531 -10.106 12.186 1.00 64.51 H new ATOM 0 HB3 ASP A 38 7.470 -11.491 12.354 1.00 64.51 H new ATOM 656 N VAL A 39 8.836 -14.144 10.866 1.00 43.02 N ATOM 657 CA VAL A 39 8.249 -15.487 10.681 1.00 74.52 C ATOM 658 C VAL A 39 7.928 -16.007 12.070 1.00 63.42 C ATOM 659 O VAL A 39 8.842 -16.290 12.860 1.00 3.30 O ATOM 660 CB VAL A 39 9.225 -16.567 9.936 1.00 73.40 C ATOM 661 CG1 VAL A 39 8.797 -18.058 9.998 1.00 42.12 C ATOM 662 CG2 VAL A 39 9.503 -16.288 8.465 1.00 2.31 C ATOM 0 H VAL A 39 9.735 -14.148 11.347 1.00 43.02 H new ATOM 0 HA VAL A 39 7.380 -15.383 10.031 1.00 74.52 H new ATOM 0 HB VAL A 39 10.117 -16.416 10.544 1.00 73.40 H new ATOM 0 HG11 VAL A 39 9.527 -18.669 9.467 1.00 42.12 H new ATOM 0 HG12 VAL A 39 8.744 -18.378 11.039 1.00 42.12 H new ATOM 0 HG13 VAL A 39 7.819 -18.175 9.532 1.00 42.12 H new ATOM 0 HG21 VAL A 39 10.159 -17.061 8.066 1.00 2.31 H new ATOM 0 HG22 VAL A 39 8.564 -16.287 7.911 1.00 2.31 H new ATOM 0 HG23 VAL A 39 9.985 -15.316 8.364 1.00 2.31 H new ATOM 672 N LYS A 40 6.644 -16.114 12.386 1.00 33.32 N ATOM 673 CA LYS A 40 6.247 -16.616 13.690 1.00 54.23 C ATOM 674 C LYS A 40 5.349 -17.885 13.532 1.00 64.12 C ATOM 675 O LYS A 40 4.474 -17.892 12.662 1.00 54.01 O ATOM 676 CB LYS A 40 5.560 -15.451 14.428 1.00 11.00 C ATOM 677 CG LYS A 40 6.532 -14.311 14.778 1.00 45.43 C ATOM 678 CD LYS A 40 5.999 -13.495 15.945 1.00 45.01 C ATOM 679 CE LYS A 40 6.792 -12.209 16.213 1.00 4.43 C ATOM 680 NZ LYS A 40 8.267 -12.427 16.296 1.00 54.32 N ATOM 0 H LYS A 40 5.873 -15.864 11.767 1.00 33.32 H new ATOM 0 HA LYS A 40 7.100 -16.946 14.283 1.00 54.23 H new ATOM 0 HB2 LYS A 40 4.755 -15.058 13.807 1.00 11.00 H new ATOM 0 HB3 LYS A 40 5.103 -15.826 15.343 1.00 11.00 H new ATOM 0 HG2 LYS A 40 7.509 -14.723 15.031 1.00 45.43 H new ATOM 0 HG3 LYS A 40 6.673 -13.666 13.910 1.00 45.43 H new ATOM 0 HD2 LYS A 40 4.958 -13.235 15.750 1.00 45.01 H new ATOM 0 HD3 LYS A 40 6.011 -14.112 16.843 1.00 45.01 H new ATOM 0 HE2 LYS A 40 6.583 -11.490 15.421 1.00 4.43 H new ATOM 0 HE3 LYS A 40 6.445 -11.765 17.146 1.00 4.43 H new ATOM 0 HZ1 LYS A 40 8.747 -11.512 16.411 1.00 54.32 H new ATOM 0 HZ2 LYS A 40 8.483 -13.036 17.111 1.00 54.32 H new ATOM 0 HZ3 LYS A 40 8.600 -12.886 15.424 1.00 54.32 H new ATOM 694 N LYS A 41 5.535 -18.973 14.345 1.00 63.15 N ATOM 695 CA LYS A 41 4.857 -20.251 14.018 1.00 0.32 C ATOM 696 C LYS A 41 4.051 -20.707 15.272 1.00 64.10 C ATOM 697 O LYS A 41 4.494 -20.427 16.390 1.00 53.31 O ATOM 698 CB LYS A 41 5.884 -21.360 13.443 1.00 41.32 C ATOM 699 CG LYS A 41 6.587 -22.307 14.446 1.00 42.53 C ATOM 700 CD LYS A 41 7.372 -21.574 15.537 1.00 0.02 C ATOM 701 CE LYS A 41 8.396 -20.570 14.993 1.00 11.04 C ATOM 702 NZ LYS A 41 9.318 -20.084 16.057 1.00 62.31 N ATOM 0 H LYS A 41 6.116 -18.987 15.183 1.00 63.15 H new ATOM 0 HA LYS A 41 4.153 -20.108 13.198 1.00 0.32 H new ATOM 0 HB2 LYS A 41 5.339 -21.978 12.730 1.00 41.32 H new ATOM 0 HB3 LYS A 41 6.659 -20.836 12.883 1.00 41.32 H new ATOM 0 HG2 LYS A 41 5.838 -22.945 14.916 1.00 42.53 H new ATOM 0 HG3 LYS A 41 7.266 -22.962 13.900 1.00 42.53 H new ATOM 0 HD2 LYS A 41 6.671 -21.049 16.186 1.00 0.02 H new ATOM 0 HD3 LYS A 41 7.889 -22.308 16.155 1.00 0.02 H new ATOM 0 HE2 LYS A 41 8.975 -21.038 14.197 1.00 11.04 H new ATOM 0 HE3 LYS A 41 7.873 -19.722 14.551 1.00 11.04 H new ATOM 0 HZ1 LYS A 41 9.994 -19.408 15.648 1.00 62.31 H new ATOM 0 HZ2 LYS A 41 8.768 -19.615 16.805 1.00 62.31 H new ATOM 0 HZ3 LYS A 41 9.836 -20.890 16.462 1.00 62.31 H new ATOM 716 N THR A 42 2.847 -21.328 15.136 1.00 71.22 N ATOM 717 CA THR A 42 2.111 -21.715 16.332 1.00 42.10 C ATOM 718 C THR A 42 2.303 -23.231 16.638 1.00 62.23 C ATOM 719 O THR A 42 2.871 -23.956 15.813 1.00 4.42 O ATOM 720 CB THR A 42 0.586 -21.340 16.248 1.00 64.13 C ATOM 721 OG1 THR A 42 -0.019 -21.410 17.545 1.00 45.24 O ATOM 722 CG2 THR A 42 -0.206 -22.241 15.291 1.00 22.33 C ATOM 0 H THR A 42 2.398 -21.555 14.249 1.00 71.22 H new ATOM 0 HA THR A 42 2.528 -21.142 17.161 1.00 42.10 H new ATOM 0 HB THR A 42 0.550 -20.323 15.858 1.00 64.13 H new ATOM 0 HG1 THR A 42 -0.967 -21.172 17.477 1.00 45.24 H new ATOM 0 HG21 THR A 42 -1.251 -21.930 15.279 1.00 22.33 H new ATOM 0 HG22 THR A 42 0.209 -22.158 14.286 1.00 22.33 H new ATOM 0 HG23 THR A 42 -0.140 -23.276 15.627 1.00 22.33 H new ATOM 730 N VAL A 43 1.811 -23.703 17.814 1.00 41.20 N ATOM 731 CA VAL A 43 1.935 -25.114 18.244 1.00 14.51 C ATOM 732 C VAL A 43 0.951 -26.047 17.480 1.00 64.04 C ATOM 733 O VAL A 43 1.084 -27.271 17.526 1.00 50.13 O ATOM 734 CB VAL A 43 1.743 -25.273 19.812 1.00 63.13 C ATOM 735 CG1 VAL A 43 2.454 -26.514 20.327 1.00 53.10 C ATOM 736 CG2 VAL A 43 2.220 -24.039 20.608 1.00 32.45 C ATOM 0 H VAL A 43 1.319 -23.114 18.486 1.00 41.20 H new ATOM 0 HA VAL A 43 2.950 -25.422 17.994 1.00 14.51 H new ATOM 0 HB VAL A 43 0.669 -25.372 19.971 1.00 63.13 H new ATOM 0 HG11 VAL A 43 2.306 -26.598 21.404 1.00 53.10 H new ATOM 0 HG12 VAL A 43 2.047 -27.397 19.835 1.00 53.10 H new ATOM 0 HG13 VAL A 43 3.520 -26.438 20.112 1.00 53.10 H new ATOM 0 HG21 VAL A 43 2.062 -24.210 21.673 1.00 32.45 H new ATOM 0 HG22 VAL A 43 3.281 -23.873 20.420 1.00 32.45 H new ATOM 0 HG23 VAL A 43 1.654 -23.162 20.293 1.00 32.45 H new ATOM 746 N SER A 44 0.004 -25.464 16.715 1.00 53.03 N ATOM 747 CA SER A 44 -1.021 -26.255 15.991 1.00 74.03 C ATOM 748 C SER A 44 -0.505 -26.640 14.585 1.00 44.45 C ATOM 749 O SER A 44 -1.252 -27.183 13.765 1.00 62.13 O ATOM 750 CB SER A 44 -2.383 -25.473 15.861 1.00 70.23 C ATOM 751 OG SER A 44 -2.465 -24.415 16.812 1.00 12.44 O ATOM 0 H SER A 44 -0.075 -24.456 16.581 1.00 53.03 H new ATOM 0 HA SER A 44 -1.206 -27.158 16.573 1.00 74.03 H new ATOM 0 HB2 SER A 44 -2.477 -25.068 14.854 1.00 70.23 H new ATOM 0 HB3 SER A 44 -3.215 -26.161 16.007 1.00 70.23 H new ATOM 0 HG SER A 44 -3.319 -23.946 16.707 1.00 12.44 H new ATOM 757 N GLY A 45 0.785 -26.353 14.321 1.00 61.34 N ATOM 758 CA GLY A 45 1.411 -26.688 13.035 1.00 44.22 C ATOM 759 C GLY A 45 1.173 -25.690 11.891 1.00 14.15 C ATOM 760 O GLY A 45 1.741 -25.864 10.810 1.00 44.20 O ATOM 0 H GLY A 45 1.409 -25.891 14.982 1.00 61.34 H new ATOM 0 HA2 GLY A 45 2.486 -26.783 13.190 1.00 44.22 H new ATOM 0 HA3 GLY A 45 1.047 -27.666 12.720 1.00 44.22 H new ATOM 764 N ALA A 46 0.353 -24.657 12.108 1.00 20.24 N ATOM 765 CA ALA A 46 0.141 -23.614 11.094 1.00 21.43 C ATOM 766 C ALA A 46 1.224 -22.511 11.236 1.00 14.41 C ATOM 767 O ALA A 46 1.486 -22.039 12.348 1.00 50.31 O ATOM 768 CB ALA A 46 -1.302 -23.043 11.181 1.00 61.33 C ATOM 0 H ALA A 46 -0.173 -24.519 12.971 1.00 20.24 H new ATOM 0 HA ALA A 46 0.244 -24.051 10.101 1.00 21.43 H new ATOM 0 HB1 ALA A 46 -1.435 -22.273 10.421 1.00 61.33 H new ATOM 0 HB2 ALA A 46 -2.021 -23.845 11.015 1.00 61.33 H new ATOM 0 HB3 ALA A 46 -1.463 -22.610 12.168 1.00 61.33 H new ATOM 774 N ALA A 47 1.863 -22.113 10.121 1.00 44.14 N ATOM 775 CA ALA A 47 2.925 -21.082 10.171 1.00 61.41 C ATOM 776 C ALA A 47 2.362 -19.779 9.627 1.00 52.34 C ATOM 777 O ALA A 47 1.509 -19.822 8.733 1.00 33.13 O ATOM 778 CB ALA A 47 4.240 -21.490 9.430 1.00 14.52 C ATOM 0 H ALA A 47 1.670 -22.479 9.189 1.00 44.14 H new ATOM 0 HA ALA A 47 3.222 -20.962 11.213 1.00 61.41 H new ATOM 0 HB1 ALA A 47 4.969 -20.684 9.511 1.00 14.52 H new ATOM 0 HB2 ALA A 47 4.647 -22.394 9.883 1.00 14.52 H new ATOM 0 HB3 ALA A 47 4.022 -21.677 8.379 1.00 14.52 H new ATOM 784 N PHE A 48 2.801 -18.611 10.140 1.00 14.31 N ATOM 785 CA PHE A 48 2.283 -17.365 9.608 1.00 43.24 C ATOM 786 C PHE A 48 3.454 -16.481 9.222 1.00 61.41 C ATOM 787 O PHE A 48 4.506 -16.527 9.869 1.00 22.20 O ATOM 788 CB PHE A 48 1.491 -16.615 10.701 1.00 51.02 C ATOM 789 CG PHE A 48 0.575 -17.482 11.490 1.00 70.23 C ATOM 790 CD1 PHE A 48 -0.633 -17.887 10.971 1.00 13.20 C ATOM 791 CD2 PHE A 48 0.943 -17.898 12.748 1.00 0.45 C ATOM 792 CE1 PHE A 48 -1.462 -18.704 11.695 1.00 22.02 C ATOM 793 CE2 PHE A 48 0.125 -18.699 13.479 1.00 43.30 C ATOM 794 CZ PHE A 48 -1.088 -19.111 12.964 1.00 41.13 C ATOM 0 H PHE A 48 3.485 -18.519 10.891 1.00 14.31 H new ATOM 0 HA PHE A 48 1.642 -17.583 8.754 1.00 43.24 H new ATOM 0 HB2 PHE A 48 2.195 -16.136 11.381 1.00 51.02 H new ATOM 0 HB3 PHE A 48 0.909 -15.821 10.233 1.00 51.02 H new ATOM 0 HD1 PHE A 48 -0.930 -17.559 9.986 1.00 13.20 H new ATOM 0 HD2 PHE A 48 1.891 -17.585 13.159 1.00 0.45 H new ATOM 0 HE1 PHE A 48 -2.403 -19.029 11.277 1.00 22.02 H new ATOM 0 HE2 PHE A 48 0.425 -19.015 14.467 1.00 43.30 H new ATOM 0 HZ PHE A 48 -1.740 -19.746 13.546 1.00 41.13 H new ATOM 804 N ALA A 49 3.288 -15.680 8.175 1.00 51.23 N ATOM 805 CA ALA A 49 4.307 -14.698 7.859 1.00 11.42 C ATOM 806 C ALA A 49 3.708 -13.286 7.874 1.00 24.22 C ATOM 807 O ALA A 49 2.563 -13.071 7.438 1.00 14.35 O ATOM 808 CB ALA A 49 5.079 -15.080 6.563 1.00 12.40 C ATOM 0 H ALA A 49 2.482 -15.692 7.550 1.00 51.23 H new ATOM 0 HA ALA A 49 5.073 -14.695 8.635 1.00 11.42 H new ATOM 0 HB1 ALA A 49 5.836 -14.324 6.354 1.00 12.40 H new ATOM 0 HB2 ALA A 49 5.561 -16.048 6.699 1.00 12.40 H new ATOM 0 HB3 ALA A 49 4.382 -15.136 5.727 1.00 12.40 H new ATOM 814 N PHE A 50 4.481 -12.344 8.436 1.00 72.11 N ATOM 815 CA PHE A 50 4.002 -11.028 8.779 1.00 4.33 C ATOM 816 C PHE A 50 4.935 -10.019 8.087 1.00 54.53 C ATOM 817 O PHE A 50 6.157 -10.007 8.407 1.00 61.52 O ATOM 818 CB PHE A 50 4.103 -10.901 10.309 1.00 72.55 C ATOM 819 CG PHE A 50 3.250 -9.835 10.925 1.00 11.03 C ATOM 820 CD1 PHE A 50 1.885 -10.019 11.057 1.00 40.15 C ATOM 821 CD2 PHE A 50 3.820 -8.676 11.412 1.00 52.02 C ATOM 822 CE1 PHE A 50 1.101 -9.060 11.667 1.00 15.15 C ATOM 823 CE2 PHE A 50 3.043 -7.710 12.016 1.00 51.32 C ATOM 824 CZ PHE A 50 1.681 -7.905 12.146 1.00 12.21 C ATOM 0 H PHE A 50 5.465 -12.492 8.661 1.00 72.11 H new ATOM 0 HA PHE A 50 2.974 -10.849 8.465 1.00 4.33 H new ATOM 0 HB2 PHE A 50 3.835 -11.859 10.754 1.00 72.55 H new ATOM 0 HB3 PHE A 50 5.143 -10.707 10.572 1.00 72.55 H new ATOM 0 HD1 PHE A 50 1.428 -10.922 10.679 1.00 40.15 H new ATOM 0 HD2 PHE A 50 4.885 -8.524 11.319 1.00 52.02 H new ATOM 0 HE1 PHE A 50 0.037 -9.214 11.768 1.00 15.15 H new ATOM 0 HE2 PHE A 50 3.498 -6.803 12.387 1.00 51.32 H new ATOM 0 HZ PHE A 50 1.071 -7.152 12.623 1.00 12.21 H new ATOM 834 N ILE A 51 4.414 -9.179 7.141 1.00 32.43 N ATOM 835 CA ILE A 51 5.344 -8.480 6.214 1.00 74.05 C ATOM 836 C ILE A 51 5.033 -7.001 6.008 1.00 52.51 C ATOM 837 O ILE A 51 4.063 -6.645 5.343 1.00 1.42 O ATOM 838 CB ILE A 51 5.477 -9.177 4.827 1.00 33.15 C ATOM 839 CG1 ILE A 51 4.406 -10.263 4.596 1.00 42.31 C ATOM 840 CG2 ILE A 51 6.850 -9.765 4.723 1.00 62.52 C ATOM 841 CD1 ILE A 51 4.128 -10.620 3.151 1.00 1.03 C ATOM 0 H ILE A 51 3.422 -8.981 7.007 1.00 32.43 H new ATOM 0 HA ILE A 51 6.301 -8.547 6.731 1.00 74.05 H new ATOM 0 HB ILE A 51 5.318 -8.427 4.052 1.00 33.15 H new ATOM 0 HG12 ILE A 51 4.714 -11.167 5.121 1.00 42.31 H new ATOM 0 HG13 ILE A 51 3.474 -9.931 5.054 1.00 42.31 H new ATOM 0 HG21 ILE A 51 6.962 -10.258 3.757 1.00 62.52 H new ATOM 0 HG22 ILE A 51 7.593 -8.973 4.815 1.00 62.52 H new ATOM 0 HG23 ILE A 51 6.995 -10.493 5.521 1.00 62.52 H new ATOM 0 HD11 ILE A 51 3.360 -11.392 3.108 1.00 1.03 H new ATOM 0 HD12 ILE A 51 3.782 -9.735 2.617 1.00 1.03 H new ATOM 0 HD13 ILE A 51 5.041 -10.991 2.686 1.00 1.03 H new ATOM 853 N GLU A 52 5.944 -6.163 6.491 1.00 32.23 N ATOM 854 CA GLU A 52 5.738 -4.699 6.558 1.00 12.41 C ATOM 855 C GLU A 52 6.224 -3.971 5.282 1.00 42.23 C ATOM 856 O GLU A 52 7.440 -3.882 5.049 1.00 70.40 O ATOM 857 CB GLU A 52 6.477 -4.092 7.768 1.00 33.21 C ATOM 858 CG GLU A 52 5.780 -4.217 9.126 1.00 45.03 C ATOM 859 CD GLU A 52 5.653 -5.644 9.634 1.00 64.41 C ATOM 860 OE1 GLU A 52 6.574 -6.112 10.333 1.00 3.41 O ATOM 861 OE2 GLU A 52 4.633 -6.292 9.340 1.00 4.20 O ATOM 0 H GLU A 52 6.849 -6.467 6.850 1.00 32.23 H new ATOM 0 HA GLU A 52 4.662 -4.555 6.656 1.00 12.41 H new ATOM 0 HB2 GLU A 52 7.456 -4.565 7.842 1.00 33.21 H new ATOM 0 HB3 GLU A 52 6.648 -3.034 7.568 1.00 33.21 H new ATOM 0 HG2 GLU A 52 6.332 -3.630 9.860 1.00 45.03 H new ATOM 0 HG3 GLU A 52 4.784 -3.780 9.052 1.00 45.03 H new ATOM 868 N PHE A 53 5.285 -3.460 4.452 1.00 51.44 N ATOM 869 CA PHE A 53 5.651 -2.711 3.222 1.00 1.50 C ATOM 870 C PHE A 53 5.360 -1.202 3.352 1.00 51.02 C ATOM 871 O PHE A 53 4.527 -0.802 4.171 1.00 73.21 O ATOM 872 CB PHE A 53 4.922 -3.273 1.989 1.00 24.51 C ATOM 873 CG PHE A 53 5.021 -4.772 1.841 1.00 63.24 C ATOM 874 CD1 PHE A 53 6.227 -5.432 2.014 1.00 44.55 C ATOM 875 CD2 PHE A 53 3.894 -5.516 1.571 1.00 2.04 C ATOM 876 CE1 PHE A 53 6.301 -6.799 1.910 1.00 24.34 C ATOM 877 CE2 PHE A 53 3.957 -6.887 1.460 1.00 12.01 C ATOM 878 CZ PHE A 53 5.164 -7.531 1.641 1.00 21.43 C ATOM 0 H PHE A 53 4.281 -3.549 4.606 1.00 51.44 H new ATOM 0 HA PHE A 53 6.725 -2.840 3.091 1.00 1.50 H new ATOM 0 HB2 PHE A 53 3.870 -2.993 2.044 1.00 24.51 H new ATOM 0 HB3 PHE A 53 5.330 -2.803 1.094 1.00 24.51 H new ATOM 0 HD1 PHE A 53 7.119 -4.864 2.233 1.00 44.55 H new ATOM 0 HD2 PHE A 53 2.945 -5.016 1.444 1.00 2.04 H new ATOM 0 HE1 PHE A 53 7.249 -7.300 2.039 1.00 24.34 H new ATOM 0 HE2 PHE A 53 3.067 -7.455 1.233 1.00 12.01 H new ATOM 0 HZ PHE A 53 5.218 -8.607 1.572 1.00 21.43 H new ATOM 888 N GLU A 54 6.073 -0.358 2.570 1.00 22.22 N ATOM 889 CA GLU A 54 5.757 1.104 2.517 1.00 5.40 C ATOM 890 C GLU A 54 4.588 1.455 1.572 1.00 63.42 C ATOM 891 O GLU A 54 3.914 2.463 1.797 1.00 35.40 O ATOM 892 CB GLU A 54 6.994 2.010 2.228 1.00 24.23 C ATOM 893 CG GLU A 54 7.312 2.306 0.746 1.00 70.12 C ATOM 894 CD GLU A 54 8.618 3.052 0.577 1.00 23.42 C ATOM 895 OE1 GLU A 54 8.775 4.125 1.200 1.00 42.14 O ATOM 896 OE2 GLU A 54 9.489 2.576 -0.174 1.00 41.00 O ATOM 0 H GLU A 54 6.853 -0.646 1.978 1.00 22.22 H new ATOM 0 HA GLU A 54 5.429 1.329 3.532 1.00 5.40 H new ATOM 0 HB2 GLU A 54 6.845 2.961 2.739 1.00 24.23 H new ATOM 0 HB3 GLU A 54 7.870 1.541 2.676 1.00 24.23 H new ATOM 0 HG2 GLU A 54 7.357 1.368 0.192 1.00 70.12 H new ATOM 0 HG3 GLU A 54 6.502 2.893 0.313 1.00 70.12 H new ATOM 903 N ASP A 55 4.320 0.650 0.539 1.00 4.43 N ATOM 904 CA ASP A 55 3.246 0.970 -0.378 1.00 31.51 C ATOM 905 C ASP A 55 2.172 -0.117 -0.338 1.00 1.24 C ATOM 906 O ASP A 55 2.477 -1.290 -0.586 1.00 40.21 O ATOM 907 CB ASP A 55 3.826 1.073 -1.792 1.00 42.30 C ATOM 908 CG ASP A 55 3.609 2.445 -2.390 1.00 13.51 C ATOM 909 OD1 ASP A 55 2.442 2.794 -2.662 1.00 34.22 O ATOM 910 OD2 ASP A 55 4.601 3.177 -2.584 1.00 25.32 O ATOM 0 H ASP A 55 4.827 -0.210 0.327 1.00 4.43 H new ATOM 0 HA ASP A 55 2.789 1.916 -0.089 1.00 31.51 H new ATOM 0 HB2 ASP A 55 4.893 0.854 -1.764 1.00 42.30 H new ATOM 0 HB3 ASP A 55 3.363 0.321 -2.431 1.00 42.30 H new ATOM 915 N ALA A 56 0.918 0.245 0.004 1.00 71.42 N ATOM 916 CA ALA A 56 -0.185 -0.718 -0.100 1.00 31.54 C ATOM 917 C ALA A 56 -0.688 -0.977 -1.545 1.00 34.22 C ATOM 918 O ALA A 56 -1.062 -2.121 -1.835 1.00 31.22 O ATOM 919 CB ALA A 56 -1.366 -0.379 0.833 1.00 44.32 C ATOM 0 H ALA A 56 0.654 1.170 0.344 1.00 71.42 H new ATOM 0 HA ALA A 56 0.261 -1.653 0.237 1.00 31.54 H new ATOM 0 HB1 ALA A 56 -2.151 -1.126 0.712 1.00 44.32 H new ATOM 0 HB2 ALA A 56 -1.023 -0.377 1.868 1.00 44.32 H new ATOM 0 HB3 ALA A 56 -1.759 0.605 0.579 1.00 44.32 H new ATOM 925 N ARG A 57 -0.724 0.033 -2.466 1.00 11.41 N ATOM 926 CA ARG A 57 -1.473 -0.191 -3.724 1.00 50.14 C ATOM 927 C ARG A 57 -0.671 -1.010 -4.788 1.00 2.24 C ATOM 928 O ARG A 57 -1.291 -1.695 -5.597 1.00 13.12 O ATOM 929 CB ARG A 57 -2.155 1.080 -4.341 1.00 15.25 C ATOM 930 CG ARG A 57 -1.307 2.019 -5.244 1.00 3.34 C ATOM 931 CD ARG A 57 -0.060 2.640 -4.587 1.00 63.23 C ATOM 932 NE ARG A 57 0.332 3.901 -5.213 1.00 64.32 N ATOM 933 CZ ARG A 57 1.420 4.083 -5.975 1.00 4.04 C ATOM 934 NH1 ARG A 57 2.260 3.078 -6.240 1.00 43.42 N ATOM 935 NH2 ARG A 57 1.680 5.301 -6.438 1.00 70.50 N ATOM 0 H ARG A 57 -0.276 0.944 -2.368 1.00 11.41 H new ATOM 0 HA ARG A 57 -2.307 -0.816 -3.404 1.00 50.14 H new ATOM 0 HB2 ARG A 57 -3.011 0.744 -4.926 1.00 15.25 H new ATOM 0 HB3 ARG A 57 -2.546 1.678 -3.518 1.00 15.25 H new ATOM 0 HG2 ARG A 57 -0.989 1.457 -6.122 1.00 3.34 H new ATOM 0 HG3 ARG A 57 -1.948 2.827 -5.598 1.00 3.34 H new ATOM 0 HD2 ARG A 57 -0.257 2.809 -3.528 1.00 63.23 H new ATOM 0 HD3 ARG A 57 0.769 1.934 -4.648 1.00 63.23 H new ATOM 0 HE ARG A 57 -0.271 4.709 -5.058 1.00 64.32 H new ATOM 0 HH11 ARG A 57 2.080 2.149 -5.860 1.00 43.42 H new ATOM 0 HH12 ARG A 57 3.082 3.240 -6.822 1.00 43.42 H new ATOM 0 HH21 ARG A 57 1.057 6.076 -6.212 1.00 70.50 H new ATOM 0 HH22 ARG A 57 2.503 5.461 -7.019 1.00 70.50 H new ATOM 949 N ASP A 58 0.696 -0.911 -4.806 1.00 74.34 N ATOM 950 CA ASP A 58 1.540 -1.740 -5.731 1.00 31.02 C ATOM 951 C ASP A 58 1.399 -3.273 -5.458 1.00 1.14 C ATOM 952 O ASP A 58 1.127 -4.052 -6.378 1.00 13.30 O ATOM 953 CB ASP A 58 3.039 -1.306 -5.641 1.00 24.34 C ATOM 954 CG ASP A 58 3.909 -1.821 -6.785 1.00 22.23 C ATOM 955 OD1 ASP A 58 3.373 -2.441 -7.722 1.00 71.20 O ATOM 956 OD2 ASP A 58 5.138 -1.579 -6.749 1.00 2.30 O ATOM 0 H ASP A 58 1.227 -0.281 -4.205 1.00 74.34 H new ATOM 0 HA ASP A 58 1.174 -1.560 -6.742 1.00 31.02 H new ATOM 0 HB2 ASP A 58 3.090 -0.217 -5.622 1.00 24.34 H new ATOM 0 HB3 ASP A 58 3.452 -1.661 -4.697 1.00 24.34 H new ATOM 961 N ALA A 59 1.555 -3.681 -4.183 1.00 30.23 N ATOM 962 CA ALA A 59 1.407 -5.073 -3.727 1.00 2.03 C ATOM 963 C ALA A 59 0.057 -5.786 -4.091 1.00 64.40 C ATOM 964 O ALA A 59 0.029 -7.007 -4.123 1.00 20.13 O ATOM 965 CB ALA A 59 1.704 -5.163 -2.230 1.00 63.41 C ATOM 0 H ALA A 59 1.792 -3.037 -3.428 1.00 30.23 H new ATOM 0 HA ALA A 59 2.145 -5.637 -4.298 1.00 2.03 H new ATOM 0 HB1 ALA A 59 1.593 -6.195 -1.898 1.00 63.41 H new ATOM 0 HB2 ALA A 59 2.724 -4.829 -2.041 1.00 63.41 H new ATOM 0 HB3 ALA A 59 1.007 -4.529 -1.682 1.00 63.41 H new ATOM 971 N ALA A 60 -1.042 -5.020 -4.296 1.00 1.13 N ATOM 972 CA ALA A 60 -2.397 -5.529 -4.690 1.00 42.43 C ATOM 973 C ALA A 60 -2.388 -6.499 -5.939 1.00 44.11 C ATOM 974 O ALA A 60 -3.087 -7.529 -5.888 1.00 12.32 O ATOM 975 CB ALA A 60 -3.405 -4.329 -4.855 1.00 0.42 C ATOM 0 H ALA A 60 -1.020 -4.006 -4.192 1.00 1.13 H new ATOM 0 HA ALA A 60 -2.746 -6.160 -3.872 1.00 42.43 H new ATOM 0 HB1 ALA A 60 -4.384 -4.713 -5.141 1.00 0.42 H new ATOM 0 HB2 ALA A 60 -3.488 -3.791 -3.911 1.00 0.42 H new ATOM 0 HB3 ALA A 60 -3.041 -3.652 -5.628 1.00 0.42 H new ATOM 981 N ASP A 61 -1.610 -6.192 -7.036 1.00 23.00 N ATOM 982 CA ASP A 61 -1.366 -7.171 -8.170 1.00 2.03 C ATOM 983 C ASP A 61 -0.826 -8.536 -7.706 1.00 23.14 C ATOM 984 O ASP A 61 -1.310 -9.615 -8.112 1.00 51.50 O ATOM 985 CB ASP A 61 -0.412 -6.629 -9.252 1.00 75.32 C ATOM 986 CG ASP A 61 -0.979 -5.402 -9.934 1.00 1.44 C ATOM 987 OD1 ASP A 61 -2.128 -5.481 -10.434 1.00 3.03 O ATOM 988 OD2 ASP A 61 -0.278 -4.381 -10.003 1.00 4.13 O ATOM 0 H ASP A 61 -1.147 -5.292 -7.161 1.00 23.00 H new ATOM 0 HA ASP A 61 -2.360 -7.306 -8.596 1.00 2.03 H new ATOM 0 HB2 ASP A 61 0.549 -6.383 -8.800 1.00 75.32 H new ATOM 0 HB3 ASP A 61 -0.226 -7.405 -9.995 1.00 75.32 H new ATOM 993 N ALA A 62 0.180 -8.526 -6.867 1.00 35.21 N ATOM 994 CA ALA A 62 0.718 -9.772 -6.379 1.00 12.51 C ATOM 995 C ALA A 62 -0.239 -10.456 -5.374 1.00 30.05 C ATOM 996 O ALA A 62 -0.372 -11.687 -5.382 1.00 60.02 O ATOM 997 CB ALA A 62 2.163 -9.629 -5.865 1.00 1.13 C ATOM 0 H ALA A 62 0.636 -7.685 -6.513 1.00 35.21 H new ATOM 0 HA ALA A 62 0.788 -10.450 -7.229 1.00 12.51 H new ATOM 0 HB1 ALA A 62 2.520 -10.596 -5.509 1.00 1.13 H new ATOM 0 HB2 ALA A 62 2.804 -9.281 -6.675 1.00 1.13 H new ATOM 0 HB3 ALA A 62 2.189 -8.909 -5.047 1.00 1.13 H new ATOM 1003 N ILE A 63 -0.989 -9.681 -4.584 1.00 14.21 N ATOM 1004 CA ILE A 63 -1.847 -10.290 -3.596 1.00 32.33 C ATOM 1005 C ILE A 63 -3.081 -10.957 -4.231 1.00 52.10 C ATOM 1006 O ILE A 63 -3.437 -12.016 -3.769 1.00 32.12 O ATOM 1007 CB ILE A 63 -2.169 -9.332 -2.388 1.00 55.13 C ATOM 1008 CG1 ILE A 63 -1.867 -10.059 -1.049 1.00 73.35 C ATOM 1009 CG2 ILE A 63 -3.580 -8.723 -2.411 1.00 64.00 C ATOM 1010 CD1 ILE A 63 -3.035 -10.346 -0.122 1.00 63.31 C ATOM 0 H ILE A 63 -1.012 -8.662 -4.615 1.00 14.21 H new ATOM 0 HA ILE A 63 -1.284 -11.107 -3.144 1.00 32.33 H new ATOM 0 HB ILE A 63 -1.510 -8.469 -2.490 1.00 55.13 H new ATOM 0 HG12 ILE A 63 -1.385 -11.008 -1.284 1.00 73.35 H new ATOM 0 HG13 ILE A 63 -1.141 -9.460 -0.499 1.00 73.35 H new ATOM 0 HG21 ILE A 63 -3.712 -8.078 -1.542 1.00 64.00 H new ATOM 0 HG22 ILE A 63 -3.709 -8.137 -3.321 1.00 64.00 H new ATOM 0 HG23 ILE A 63 -4.321 -9.522 -2.386 1.00 64.00 H new ATOM 0 HD11 ILE A 63 -2.674 -10.856 0.771 1.00 63.31 H new ATOM 0 HD12 ILE A 63 -3.512 -9.408 0.163 1.00 63.31 H new ATOM 0 HD13 ILE A 63 -3.759 -10.980 -0.634 1.00 63.31 H new ATOM 1022 N LYS A 64 -3.746 -10.350 -5.250 1.00 71.24 N ATOM 1023 CA LYS A 64 -4.646 -11.123 -6.137 1.00 50.14 C ATOM 1024 C LYS A 64 -3.954 -12.303 -6.880 1.00 42.12 C ATOM 1025 O LYS A 64 -4.622 -13.301 -7.140 1.00 31.22 O ATOM 1026 CB LYS A 64 -5.420 -10.223 -7.163 1.00 10.52 C ATOM 1027 CG LYS A 64 -4.564 -9.337 -8.114 1.00 4.44 C ATOM 1028 CD LYS A 64 -4.000 -10.071 -9.342 1.00 34.41 C ATOM 1029 CE LYS A 64 -3.549 -9.101 -10.419 1.00 62.42 C ATOM 1030 NZ LYS A 64 -4.452 -9.073 -11.597 1.00 4.04 N ATOM 0 H LYS A 64 -3.678 -9.357 -5.471 1.00 71.24 H new ATOM 0 HA LYS A 64 -5.369 -11.560 -5.448 1.00 50.14 H new ATOM 0 HB2 LYS A 64 -6.046 -10.871 -7.776 1.00 10.52 H new ATOM 0 HB3 LYS A 64 -6.089 -9.570 -6.603 1.00 10.52 H new ATOM 0 HG2 LYS A 64 -5.174 -8.501 -8.456 1.00 4.44 H new ATOM 0 HG3 LYS A 64 -3.734 -8.916 -7.547 1.00 4.44 H new ATOM 0 HD2 LYS A 64 -3.159 -10.694 -9.039 1.00 34.41 H new ATOM 0 HD3 LYS A 64 -4.761 -10.738 -9.748 1.00 34.41 H new ATOM 0 HE2 LYS A 64 -3.486 -8.099 -9.994 1.00 62.42 H new ATOM 0 HE3 LYS A 64 -2.545 -9.372 -10.745 1.00 62.42 H new ATOM 0 HZ1 LYS A 64 -4.090 -8.393 -12.296 1.00 4.04 H new ATOM 0 HZ2 LYS A 64 -4.494 -10.020 -12.025 1.00 4.04 H new ATOM 0 HZ3 LYS A 64 -5.406 -8.787 -11.297 1.00 4.04 H new ATOM 1044 N GLU A 65 -2.652 -12.209 -7.283 1.00 32.05 N ATOM 1045 CA GLU A 65 -2.004 -13.411 -7.898 1.00 63.13 C ATOM 1046 C GLU A 65 -1.853 -14.601 -6.890 1.00 64.45 C ATOM 1047 O GLU A 65 -1.765 -15.753 -7.329 1.00 23.24 O ATOM 1048 CB GLU A 65 -0.676 -13.049 -8.636 1.00 45.03 C ATOM 1049 CG GLU A 65 0.600 -13.181 -7.824 1.00 10.12 C ATOM 1050 CD GLU A 65 1.493 -14.330 -8.295 1.00 52.34 C ATOM 1051 OE1 GLU A 65 2.019 -14.250 -9.428 1.00 64.43 O ATOM 1052 OE2 GLU A 65 1.657 -15.320 -7.550 1.00 30.52 O ATOM 0 H GLU A 65 -2.065 -11.379 -7.203 1.00 32.05 H new ATOM 0 HA GLU A 65 -2.684 -13.775 -8.668 1.00 63.13 H new ATOM 0 HB2 GLU A 65 -0.589 -13.686 -9.517 1.00 45.03 H new ATOM 0 HB3 GLU A 65 -0.751 -12.021 -8.992 1.00 45.03 H new ATOM 0 HG2 GLU A 65 1.159 -12.247 -7.882 1.00 10.12 H new ATOM 0 HG3 GLU A 65 0.343 -13.334 -6.776 1.00 10.12 H new ATOM 1059 N LYS A 66 -1.822 -14.345 -5.551 1.00 30.03 N ATOM 1060 CA LYS A 66 -2.120 -15.470 -4.583 1.00 4.15 C ATOM 1061 C LYS A 66 -3.478 -15.384 -3.773 1.00 53.25 C ATOM 1062 O LYS A 66 -3.628 -16.107 -2.782 1.00 32.41 O ATOM 1063 CB LYS A 66 -0.888 -15.843 -3.663 1.00 32.10 C ATOM 1064 CG LYS A 66 -0.229 -14.732 -2.790 1.00 61.24 C ATOM 1065 CD LYS A 66 0.680 -13.748 -3.553 1.00 50.54 C ATOM 1066 CE LYS A 66 1.783 -14.384 -4.428 1.00 12.21 C ATOM 1067 NZ LYS A 66 2.681 -15.283 -3.653 1.00 3.03 N ATOM 0 H LYS A 66 -1.611 -13.441 -5.128 1.00 30.03 H new ATOM 0 HA LYS A 66 -2.296 -16.307 -5.259 1.00 4.15 H new ATOM 0 HB2 LYS A 66 -1.208 -16.641 -2.993 1.00 32.10 H new ATOM 0 HB3 LYS A 66 -0.112 -16.259 -4.306 1.00 32.10 H new ATOM 0 HG2 LYS A 66 -1.018 -14.164 -2.297 1.00 61.24 H new ATOM 0 HG3 LYS A 66 0.358 -15.210 -2.005 1.00 61.24 H new ATOM 0 HD2 LYS A 66 0.053 -13.125 -4.190 1.00 50.54 H new ATOM 0 HD3 LYS A 66 1.155 -13.087 -2.828 1.00 50.54 H new ATOM 0 HE2 LYS A 66 1.319 -14.949 -5.237 1.00 12.21 H new ATOM 0 HE3 LYS A 66 2.376 -13.594 -4.890 1.00 12.21 H new ATOM 0 HZ1 LYS A 66 3.402 -15.683 -4.286 1.00 3.03 H new ATOM 0 HZ2 LYS A 66 3.146 -14.741 -2.897 1.00 3.03 H new ATOM 0 HZ3 LYS A 66 2.123 -16.054 -3.233 1.00 3.03 H new ATOM 1081 N ASP A 67 -4.465 -14.548 -4.188 1.00 11.23 N ATOM 1082 CA ASP A 67 -5.734 -14.370 -3.416 1.00 41.11 C ATOM 1083 C ASP A 67 -6.739 -15.472 -3.629 1.00 11.05 C ATOM 1084 O ASP A 67 -6.668 -16.201 -4.620 1.00 71.15 O ATOM 1085 CB ASP A 67 -6.375 -12.972 -3.358 1.00 5.24 C ATOM 1086 CG ASP A 67 -7.496 -12.709 -4.355 1.00 32.20 C ATOM 1087 OD1 ASP A 67 -7.241 -12.731 -5.567 1.00 61.05 O ATOM 1088 OD2 ASP A 67 -8.636 -12.458 -3.905 1.00 5.00 O ATOM 0 H ASP A 67 -4.413 -13.991 -5.041 1.00 11.23 H new ATOM 0 HA ASP A 67 -5.349 -14.465 -2.401 1.00 41.11 H new ATOM 0 HB2 ASP A 67 -6.766 -12.815 -2.353 1.00 5.24 H new ATOM 0 HB3 ASP A 67 -5.593 -12.229 -3.516 1.00 5.24 H new ATOM 1093 N GLY A 68 -7.688 -15.605 -2.694 1.00 32.51 N ATOM 1094 CA GLY A 68 -8.369 -16.861 -2.565 1.00 23.32 C ATOM 1095 C GLY A 68 -8.147 -17.567 -1.239 1.00 10.30 C ATOM 1096 O GLY A 68 -8.115 -18.799 -1.227 1.00 24.40 O ATOM 0 H GLY A 68 -7.982 -14.875 -2.045 1.00 32.51 H new ATOM 0 HA2 GLY A 68 -9.438 -16.695 -2.699 1.00 23.32 H new ATOM 0 HA3 GLY A 68 -8.045 -17.519 -3.371 1.00 23.32 H new ATOM 1100 N CYS A 69 -7.904 -16.782 -0.143 1.00 12.22 N ATOM 1101 CA CYS A 69 -7.638 -17.358 1.175 1.00 33.43 C ATOM 1102 C CYS A 69 -8.735 -18.344 1.579 1.00 41.03 C ATOM 1103 O CYS A 69 -9.923 -17.998 1.609 1.00 53.15 O ATOM 1104 CB CYS A 69 -7.592 -16.200 2.214 1.00 24.25 C ATOM 1105 SG CYS A 69 -8.476 -14.712 1.703 1.00 13.20 S ATOM 0 H CYS A 69 -7.891 -15.762 -0.166 1.00 12.22 H new ATOM 0 HA CYS A 69 -6.690 -17.895 1.142 1.00 33.43 H new ATOM 0 HB2 CYS A 69 -8.013 -16.554 3.155 1.00 24.25 H new ATOM 0 HB3 CYS A 69 -6.551 -15.942 2.408 1.00 24.25 H new ATOM 0 HG CYS A 69 -8.381 -13.809 2.634 1.00 13.20 H new ATOM 1111 N ASP A 70 -8.312 -19.577 1.928 1.00 54.32 N ATOM 1112 CA ASP A 70 -9.254 -20.630 2.209 1.00 43.20 C ATOM 1113 C ASP A 70 -8.933 -21.355 3.531 1.00 12.15 C ATOM 1114 O ASP A 70 -7.739 -21.469 3.915 1.00 3.42 O ATOM 1115 CB ASP A 70 -9.310 -21.627 1.046 1.00 2.44 C ATOM 1116 CG ASP A 70 -10.697 -22.220 0.869 1.00 70.23 C ATOM 1117 OD1 ASP A 70 -11.049 -23.169 1.600 1.00 45.35 O ATOM 1118 OD2 ASP A 70 -11.444 -21.731 -0.006 1.00 43.50 O ATOM 0 H ASP A 70 -7.332 -19.846 2.016 1.00 54.32 H new ATOM 0 HA ASP A 70 -10.234 -20.167 2.323 1.00 43.20 H new ATOM 0 HB2 ASP A 70 -9.010 -21.127 0.125 1.00 2.44 H new ATOM 0 HB3 ASP A 70 -8.593 -22.429 1.221 1.00 2.44 H new ATOM 1123 N PHE A 71 -10.017 -21.873 4.165 1.00 21.41 N ATOM 1124 CA PHE A 71 -10.094 -22.395 5.522 1.00 24.43 C ATOM 1125 C PHE A 71 -11.134 -23.532 5.523 1.00 10.34 C ATOM 1126 O PHE A 71 -12.062 -23.471 4.715 1.00 34.23 O ATOM 1127 CB PHE A 71 -10.431 -21.304 6.575 1.00 70.33 C ATOM 1128 CG PHE A 71 -11.419 -20.247 6.137 1.00 41.24 C ATOM 1129 CD1 PHE A 71 -12.768 -20.535 6.001 1.00 32.35 C ATOM 1130 CD2 PHE A 71 -10.990 -18.951 5.878 1.00 0.10 C ATOM 1131 CE1 PHE A 71 -13.664 -19.560 5.615 1.00 35.44 C ATOM 1132 CE2 PHE A 71 -11.882 -17.976 5.491 1.00 11.22 C ATOM 1133 CZ PHE A 71 -13.221 -18.280 5.356 1.00 34.12 C ATOM 0 H PHE A 71 -10.918 -21.933 3.691 1.00 21.41 H new ATOM 0 HA PHE A 71 -9.115 -22.772 5.818 1.00 24.43 H new ATOM 0 HB2 PHE A 71 -10.824 -21.795 7.465 1.00 70.33 H new ATOM 0 HB3 PHE A 71 -9.505 -20.809 6.867 1.00 70.33 H new ATOM 0 HD1 PHE A 71 -13.122 -21.536 6.200 1.00 32.35 H new ATOM 0 HD2 PHE A 71 -9.943 -18.705 5.982 1.00 0.10 H new ATOM 0 HE1 PHE A 71 -14.713 -19.799 5.516 1.00 35.44 H new ATOM 0 HE2 PHE A 71 -11.533 -16.973 5.293 1.00 11.22 H new ATOM 0 HZ PHE A 71 -13.921 -17.517 5.048 1.00 34.12 H new ATOM 1143 N GLU A 72 -10.944 -24.576 6.350 1.00 15.53 N ATOM 1144 CA GLU A 72 -11.850 -25.767 6.386 1.00 21.13 C ATOM 1145 C GLU A 72 -11.678 -26.693 5.151 1.00 41.41 C ATOM 1146 O GLU A 72 -12.590 -26.877 4.340 1.00 33.31 O ATOM 1147 CB GLU A 72 -13.374 -25.427 6.580 1.00 3.41 C ATOM 1148 CG GLU A 72 -13.783 -24.621 7.829 1.00 34.42 C ATOM 1149 CD GLU A 72 -13.196 -25.137 9.133 1.00 12.42 C ATOM 1150 OE1 GLU A 72 -13.843 -25.985 9.778 1.00 42.11 O ATOM 1151 OE2 GLU A 72 -12.106 -24.669 9.527 1.00 31.23 O ATOM 0 H GLU A 72 -10.169 -24.630 7.011 1.00 15.53 H new ATOM 0 HA GLU A 72 -11.526 -26.301 7.279 1.00 21.13 H new ATOM 0 HB2 GLU A 72 -13.707 -24.874 5.702 1.00 3.41 H new ATOM 0 HB3 GLU A 72 -13.927 -26.366 6.593 1.00 3.41 H new ATOM 0 HG2 GLU A 72 -13.477 -23.584 7.693 1.00 34.42 H new ATOM 0 HG3 GLU A 72 -14.870 -24.625 7.908 1.00 34.42 H new ATOM 1158 N GLY A 73 -10.469 -27.244 5.026 1.00 40.00 N ATOM 1159 CA GLY A 73 -10.177 -28.316 4.063 1.00 3.15 C ATOM 1160 C GLY A 73 -9.503 -27.911 2.750 1.00 44.25 C ATOM 1161 O GLY A 73 -9.008 -28.787 2.031 1.00 51.15 O ATOM 0 H GLY A 73 -9.664 -26.963 5.586 1.00 40.00 H new ATOM 0 HA2 GLY A 73 -9.541 -29.050 4.557 1.00 3.15 H new ATOM 0 HA3 GLY A 73 -11.114 -28.818 3.821 1.00 3.15 H new ATOM 1165 N ASN A 74 -9.456 -26.629 2.425 1.00 53.22 N ATOM 1166 CA ASN A 74 -8.393 -26.122 1.543 1.00 4.52 C ATOM 1167 C ASN A 74 -7.515 -25.205 2.387 1.00 34.21 C ATOM 1168 O ASN A 74 -8.026 -24.286 3.016 1.00 11.54 O ATOM 1169 CB ASN A 74 -8.935 -25.413 0.254 1.00 41.22 C ATOM 1170 CG ASN A 74 -9.738 -26.344 -0.645 1.00 44.11 C ATOM 1171 OD1 ASN A 74 -10.950 -26.494 -0.487 1.00 55.45 O ATOM 1172 ND2 ASN A 74 -9.065 -26.975 -1.597 1.00 13.45 N ATOM 0 H ASN A 74 -10.122 -25.926 2.746 1.00 53.22 H new ATOM 0 HA ASN A 74 -7.813 -26.958 1.153 1.00 4.52 H new ATOM 0 HB2 ASN A 74 -9.561 -24.570 0.546 1.00 41.22 H new ATOM 0 HB3 ASN A 74 -8.096 -25.007 -0.310 1.00 41.22 H new ATOM 0 HD21 ASN A 74 -9.551 -27.610 -2.230 1.00 13.45 H new ATOM 0 HD22 ASN A 74 -8.061 -26.825 -1.697 1.00 13.45 H new ATOM 1179 N LYS A 75 -6.205 -25.497 2.480 1.00 21.44 N ATOM 1180 CA LYS A 75 -5.337 -24.676 3.373 1.00 0.41 C ATOM 1181 C LYS A 75 -4.662 -23.564 2.550 1.00 31.12 C ATOM 1182 O LYS A 75 -3.705 -23.879 1.834 1.00 60.25 O ATOM 1183 CB LYS A 75 -4.241 -25.469 4.179 1.00 4.32 C ATOM 1184 CG LYS A 75 -4.592 -25.753 5.660 1.00 52.41 C ATOM 1185 CD LYS A 75 -5.654 -26.855 5.892 1.00 33.45 C ATOM 1186 CE LYS A 75 -6.755 -26.435 6.867 1.00 40.41 C ATOM 1187 NZ LYS A 75 -6.248 -26.251 8.247 1.00 2.32 N ATOM 0 H LYS A 75 -5.734 -26.252 1.981 1.00 21.44 H new ATOM 0 HA LYS A 75 -6.010 -24.272 4.130 1.00 0.41 H new ATOM 0 HB2 LYS A 75 -4.059 -26.419 3.676 1.00 4.32 H new ATOM 0 HB3 LYS A 75 -3.308 -24.906 4.144 1.00 4.32 H new ATOM 0 HG2 LYS A 75 -3.679 -26.036 6.184 1.00 52.41 H new ATOM 0 HG3 LYS A 75 -4.947 -24.828 6.115 1.00 52.41 H new ATOM 0 HD2 LYS A 75 -6.106 -27.122 4.937 1.00 33.45 H new ATOM 0 HD3 LYS A 75 -5.162 -27.750 6.273 1.00 33.45 H new ATOM 0 HE2 LYS A 75 -7.207 -25.505 6.522 1.00 40.41 H new ATOM 0 HE3 LYS A 75 -7.542 -27.190 6.869 1.00 40.41 H new ATOM 0 HZ1 LYS A 75 -7.031 -25.967 8.870 1.00 2.32 H new ATOM 0 HZ2 LYS A 75 -5.840 -27.145 8.589 1.00 2.32 H new ATOM 0 HZ3 LYS A 75 -5.516 -25.512 8.252 1.00 2.32 H new ATOM 1201 N LEU A 76 -5.111 -22.273 2.621 1.00 12.32 N ATOM 1202 CA LEU A 76 -4.450 -21.232 1.789 1.00 54.33 C ATOM 1203 C LEU A 76 -4.826 -19.793 2.230 1.00 13.15 C ATOM 1204 O LEU A 76 -5.458 -19.111 1.462 1.00 22.15 O ATOM 1205 CB LEU A 76 -4.816 -21.408 0.265 1.00 33.20 C ATOM 1206 CG LEU A 76 -4.015 -20.537 -0.699 1.00 41.33 C ATOM 1207 CD1 LEU A 76 -2.633 -21.116 -0.940 1.00 24.22 C ATOM 1208 CD2 LEU A 76 -4.772 -20.312 -2.006 1.00 2.15 C ATOM 0 H LEU A 76 -5.879 -21.947 3.208 1.00 12.32 H new ATOM 0 HA LEU A 76 -3.378 -21.368 1.932 1.00 54.33 H new ATOM 0 HB2 LEU A 76 -4.672 -22.453 -0.009 1.00 33.20 H new ATOM 0 HB3 LEU A 76 -5.875 -21.188 0.134 1.00 33.20 H new ATOM 0 HG LEU A 76 -3.882 -19.560 -0.234 1.00 41.33 H new ATOM 0 HD11 LEU A 76 -2.085 -20.475 -1.630 1.00 24.22 H new ATOM 0 HD12 LEU A 76 -2.094 -21.176 0.005 1.00 24.22 H new ATOM 0 HD13 LEU A 76 -2.726 -22.114 -1.368 1.00 24.22 H new ATOM 0 HD21 LEU A 76 -4.174 -19.688 -2.670 1.00 2.15 H new ATOM 0 HD22 LEU A 76 -4.964 -21.272 -2.485 1.00 2.15 H new ATOM 0 HD23 LEU A 76 -5.719 -19.815 -1.797 1.00 2.15 H new ATOM 1220 N ARG A 77 -4.446 -19.272 3.423 1.00 72.42 N ATOM 1221 CA ARG A 77 -4.960 -17.962 3.834 1.00 35.21 C ATOM 1222 C ARG A 77 -3.915 -16.847 3.477 1.00 21.15 C ATOM 1223 O ARG A 77 -2.835 -16.786 4.068 1.00 24.53 O ATOM 1224 CB ARG A 77 -5.323 -18.041 5.355 1.00 12.01 C ATOM 1225 CG ARG A 77 -5.066 -16.786 6.232 1.00 24.15 C ATOM 1226 CD ARG A 77 -6.021 -15.611 5.986 1.00 34.20 C ATOM 1227 NE ARG A 77 -7.436 -15.986 6.105 1.00 50.44 N ATOM 1228 CZ ARG A 77 -8.440 -15.112 6.015 1.00 74.25 C ATOM 1229 NH1 ARG A 77 -8.194 -13.837 5.798 1.00 70.34 N ATOM 1230 NH2 ARG A 77 -9.691 -15.520 6.159 1.00 43.12 N ATOM 0 H ARG A 77 -3.814 -19.722 4.085 1.00 72.42 H new ATOM 0 HA ARG A 77 -5.869 -17.691 3.297 1.00 35.21 H new ATOM 0 HB2 ARG A 77 -6.381 -18.292 5.433 1.00 12.01 H new ATOM 0 HB3 ARG A 77 -4.765 -18.871 5.789 1.00 12.01 H new ATOM 0 HG2 ARG A 77 -5.134 -17.075 7.281 1.00 24.15 H new ATOM 0 HG3 ARG A 77 -4.045 -16.446 6.061 1.00 24.15 H new ATOM 0 HD2 ARG A 77 -5.801 -14.816 6.698 1.00 34.20 H new ATOM 0 HD3 ARG A 77 -5.841 -15.206 4.990 1.00 34.20 H new ATOM 0 HE ARG A 77 -7.663 -16.967 6.265 1.00 50.44 H new ATOM 0 HH11 ARG A 77 -7.232 -13.513 5.698 1.00 70.34 H new ATOM 0 HH12 ARG A 77 -8.965 -13.173 5.730 1.00 70.34 H new ATOM 0 HH21 ARG A 77 -9.889 -16.504 6.339 1.00 43.12 H new ATOM 0 HH22 ARG A 77 -10.457 -14.850 6.090 1.00 43.12 H new ATOM 1244 N VAL A 78 -4.214 -15.962 2.491 1.00 42.03 N ATOM 1245 CA VAL A 78 -3.380 -14.783 2.259 1.00 21.24 C ATOM 1246 C VAL A 78 -4.287 -13.535 2.360 1.00 10.53 C ATOM 1247 O VAL A 78 -5.199 -13.404 1.537 1.00 12.03 O ATOM 1248 CB VAL A 78 -2.663 -14.804 0.836 1.00 24.00 C ATOM 1249 CG1 VAL A 78 -1.675 -13.651 0.730 1.00 51.31 C ATOM 1250 CG2 VAL A 78 -1.898 -16.108 0.567 1.00 74.34 C ATOM 0 H VAL A 78 -5.012 -16.050 1.862 1.00 42.03 H new ATOM 0 HA VAL A 78 -2.588 -14.770 3.008 1.00 21.24 H new ATOM 0 HB VAL A 78 -3.459 -14.714 0.096 1.00 24.00 H new ATOM 0 HG11 VAL A 78 -1.191 -13.675 -0.246 1.00 51.31 H new ATOM 0 HG12 VAL A 78 -2.205 -12.706 0.849 1.00 51.31 H new ATOM 0 HG13 VAL A 78 -0.921 -13.745 1.511 1.00 51.31 H new ATOM 0 HG21 VAL A 78 -1.432 -16.060 -0.417 1.00 74.34 H new ATOM 0 HG22 VAL A 78 -1.128 -16.241 1.327 1.00 74.34 H new ATOM 0 HG23 VAL A 78 -2.590 -16.949 0.600 1.00 74.34 H new ATOM 1260 N GLU A 79 -4.095 -12.619 3.345 1.00 53.21 N ATOM 1261 CA GLU A 79 -4.906 -11.417 3.379 1.00 23.14 C ATOM 1262 C GLU A 79 -4.072 -10.198 3.734 1.00 3.22 C ATOM 1263 O GLU A 79 -3.106 -10.268 4.530 1.00 11.32 O ATOM 1264 CB GLU A 79 -6.064 -11.553 4.374 1.00 4.35 C ATOM 1265 CG GLU A 79 -7.327 -10.782 3.975 1.00 51.50 C ATOM 1266 CD GLU A 79 -8.248 -10.507 5.145 1.00 34.24 C ATOM 1267 OE1 GLU A 79 -7.958 -9.574 5.914 1.00 22.45 O ATOM 1268 OE2 GLU A 79 -9.263 -11.226 5.295 1.00 3.31 O ATOM 0 H GLU A 79 -3.406 -12.701 4.093 1.00 53.21 H new ATOM 0 HA GLU A 79 -5.317 -11.283 2.378 1.00 23.14 H new ATOM 0 HB2 GLU A 79 -6.314 -12.608 4.481 1.00 4.35 H new ATOM 0 HB3 GLU A 79 -5.732 -11.203 5.351 1.00 4.35 H new ATOM 0 HG2 GLU A 79 -7.039 -9.836 3.517 1.00 51.50 H new ATOM 0 HG3 GLU A 79 -7.869 -11.350 3.219 1.00 51.50 H new ATOM 1275 N VAL A 80 -4.418 -9.088 3.098 1.00 42.31 N ATOM 1276 CA VAL A 80 -3.904 -7.803 3.484 1.00 1.34 C ATOM 1277 C VAL A 80 -4.780 -7.150 4.571 1.00 72.44 C ATOM 1278 O VAL A 80 -5.983 -6.943 4.390 1.00 23.41 O ATOM 1279 CB VAL A 80 -3.780 -6.849 2.263 1.00 4.02 C ATOM 1280 CG1 VAL A 80 -2.626 -7.266 1.392 1.00 44.03 C ATOM 1281 CG2 VAL A 80 -5.042 -6.819 1.413 1.00 23.12 C ATOM 0 H VAL A 80 -5.060 -9.063 2.306 1.00 42.31 H new ATOM 0 HA VAL A 80 -2.908 -7.971 3.894 1.00 1.34 H new ATOM 0 HB VAL A 80 -3.617 -5.850 2.667 1.00 4.02 H new ATOM 0 HG11 VAL A 80 -2.550 -6.590 0.540 1.00 44.03 H new ATOM 0 HG12 VAL A 80 -1.702 -7.228 1.969 1.00 44.03 H new ATOM 0 HG13 VAL A 80 -2.789 -8.283 1.035 1.00 44.03 H new ATOM 0 HG21 VAL A 80 -4.900 -6.137 0.575 1.00 23.12 H new ATOM 0 HG22 VAL A 80 -5.250 -7.820 1.035 1.00 23.12 H new ATOM 0 HG23 VAL A 80 -5.881 -6.478 2.019 1.00 23.12 H new ATOM 1291 N PRO A 81 -4.182 -6.821 5.730 1.00 44.21 N ATOM 1292 CA PRO A 81 -4.736 -5.834 6.649 1.00 55.44 C ATOM 1293 C PRO A 81 -4.188 -4.431 6.362 1.00 2.41 C ATOM 1294 O PRO A 81 -4.030 -3.613 7.276 1.00 63.22 O ATOM 1295 CB PRO A 81 -4.277 -6.348 8.021 1.00 5.15 C ATOM 1296 CG PRO A 81 -3.020 -7.108 7.766 1.00 3.53 C ATOM 1297 CD PRO A 81 -3.011 -7.499 6.308 1.00 34.34 C ATOM 0 HA PRO A 81 -5.818 -5.733 6.570 1.00 55.44 H new ATOM 0 HB2 PRO A 81 -4.102 -5.522 8.710 1.00 5.15 H new ATOM 0 HB3 PRO A 81 -5.036 -6.986 8.474 1.00 5.15 H new ATOM 0 HG2 PRO A 81 -2.149 -6.498 8.004 1.00 3.53 H new ATOM 0 HG3 PRO A 81 -2.972 -7.993 8.400 1.00 3.53 H new ATOM 0 HD2 PRO A 81 -2.090 -7.183 5.819 1.00 34.34 H new ATOM 0 HD3 PRO A 81 -3.081 -8.580 6.188 1.00 34.34 H new ATOM 1305 N PHE A 82 -3.917 -4.150 5.080 1.00 52.34 N ATOM 1306 CA PHE A 82 -3.409 -2.842 4.695 1.00 0.34 C ATOM 1307 C PHE A 82 -4.188 -2.229 3.530 1.00 3.45 C ATOM 1308 O PHE A 82 -3.754 -1.214 2.984 1.00 1.42 O ATOM 1309 CB PHE A 82 -1.871 -2.844 4.390 1.00 71.10 C ATOM 1310 CG PHE A 82 -1.308 -3.606 3.165 1.00 62.21 C ATOM 1311 CD1 PHE A 82 -1.881 -3.562 1.889 1.00 21.12 C ATOM 1312 CD2 PHE A 82 -0.105 -4.281 3.282 1.00 62.25 C ATOM 1313 CE1 PHE A 82 -1.272 -4.163 0.809 1.00 32.31 C ATOM 1314 CE2 PHE A 82 0.485 -4.883 2.226 1.00 41.23 C ATOM 1315 CZ PHE A 82 -0.082 -4.830 0.980 1.00 33.33 C ATOM 0 H PHE A 82 -4.041 -4.805 4.308 1.00 52.34 H new ATOM 0 HA PHE A 82 -3.564 -2.210 5.570 1.00 0.34 H new ATOM 0 HB2 PHE A 82 -1.563 -1.803 4.290 1.00 71.10 H new ATOM 0 HB3 PHE A 82 -1.370 -3.241 5.273 1.00 71.10 H new ATOM 0 HD1 PHE A 82 -2.820 -3.047 1.748 1.00 21.12 H new ATOM 0 HD2 PHE A 82 0.377 -4.328 4.247 1.00 62.25 H new ATOM 0 HE1 PHE A 82 -1.728 -4.110 -0.169 1.00 32.31 H new ATOM 0 HE2 PHE A 82 1.416 -5.413 2.366 1.00 41.23 H new ATOM 0 HZ PHE A 82 0.401 -5.307 0.140 1.00 33.33 H new ATOM 1325 N ASN A 83 -5.333 -2.829 3.163 1.00 11.32 N ATOM 1326 CA ASN A 83 -6.017 -2.477 1.883 1.00 50.31 C ATOM 1327 C ASN A 83 -6.824 -1.164 2.016 1.00 33.53 C ATOM 1328 O ASN A 83 -8.056 -1.196 2.053 1.00 13.10 O ATOM 1329 CB ASN A 83 -6.951 -3.608 1.353 1.00 50.30 C ATOM 1330 CG ASN A 83 -7.132 -3.567 -0.162 1.00 61.53 C ATOM 1331 OD1 ASN A 83 -6.370 -4.177 -0.908 1.00 14.35 O ATOM 1332 ND2 ASN A 83 -8.156 -2.856 -0.624 1.00 42.52 N ATOM 0 H ASN A 83 -5.805 -3.546 3.713 1.00 11.32 H new ATOM 0 HA ASN A 83 -5.217 -2.342 1.155 1.00 50.31 H new ATOM 0 HB2 ASN A 83 -6.539 -4.576 1.639 1.00 50.30 H new ATOM 0 HB3 ASN A 83 -7.926 -3.522 1.833 1.00 50.30 H new ATOM 0 HD21 ASN A 83 -8.329 -2.804 -1.628 1.00 42.52 H new ATOM 0 HD22 ASN A 83 -8.768 -2.362 0.025 1.00 42.52 H new