USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 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 Set 1.1: A 32 ASN : amide:sc= -0.953 K(o=-1.1,f=-1.8) USER MOD Set 1.2: A 69 MET CE :methyl -147:sc= -0.0967 (180deg=-1.55!) USER MOD Set 2.1: A 8 SER OG : rot -130:sc= 1.11 USER MOD Set 2.2: A 16 ASN :FLIP amide:sc= -0.321 F(o=-2.8,f=0.79) USER MOD Single : A 2 LYS NZ :NH3+ -157:sc= -0.0339 (180deg=-0.285) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.75) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00432 USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.125 (180deg=-0.6) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0103 (180deg=-0.3) USER MOD Single : A 35 ASN : amide:sc= -0.0908 K(o=-0.091,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 15:sc= 0.84 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.414 F(o=-1,f=-0.41) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc=4.58e-05 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 70 ASN : amide:sc= -0.0527 X(o=-0.053,f=-0.053) USER MOD Single : A 73 SER OG : rot -45:sc= 0.0239 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.051 -1.289 -0.620 1.00 21.32 N ATOM 19 CA LYS A 2 4.175 -2.203 -0.788 1.00 33.33 C ATOM 20 C LYS A 2 3.881 -3.551 -0.137 1.00 63.41 C ATOM 21 O LYS A 2 4.279 -3.803 1.000 1.00 5.25 O ATOM 22 CB LYS A 2 5.445 -1.599 -0.184 1.00 34.40 C ATOM 23 CG LYS A 2 5.241 -1.017 1.204 1.00 52.53 C ATOM 24 CD LYS A 2 6.477 -0.276 1.685 1.00 64.13 C ATOM 25 CE LYS A 2 6.115 0.857 2.633 1.00 61.32 C ATOM 26 NZ LYS A 2 5.416 1.967 1.929 1.00 50.22 N ATOM 0 HA LYS A 2 4.327 -2.360 -1.856 1.00 33.33 H new ATOM 0 HB2 LYS A 2 6.216 -2.368 -0.137 1.00 34.40 H new ATOM 0 HB3 LYS A 2 5.816 -0.816 -0.846 1.00 34.40 H new ATOM 0 HG2 LYS A 2 4.389 -0.337 1.193 1.00 52.53 H new ATOM 0 HG3 LYS A 2 5.000 -1.818 1.903 1.00 52.53 H new ATOM 0 HD2 LYS A 2 7.147 -0.973 2.189 1.00 64.13 H new ATOM 0 HD3 LYS A 2 7.019 0.124 0.828 1.00 64.13 H new ATOM 0 HE2 LYS A 2 5.478 0.474 3.430 1.00 61.32 H new ATOM 0 HE3 LYS A 2 7.020 1.239 3.105 1.00 61.32 H new ATOM 0 HZ1 LYS A 2 5.529 2.847 2.471 1.00 50.22 H new ATOM 0 HZ2 LYS A 2 5.826 2.089 0.981 1.00 50.22 H new ATOM 0 HZ3 LYS A 2 4.405 1.741 1.843 1.00 50.22 H new ATOM 40 N PHE A 3 3.184 -4.416 -0.867 1.00 12.04 N ATOM 41 CA PHE A 3 2.838 -5.739 -0.360 1.00 72.13 C ATOM 42 C PHE A 3 2.803 -6.762 -1.492 1.00 22.43 C ATOM 43 O PHE A 3 2.182 -6.534 -2.530 1.00 62.22 O ATOM 44 CB PHE A 3 1.482 -5.699 0.348 1.00 40.12 C ATOM 45 CG PHE A 3 0.320 -5.539 -0.590 1.00 42.44 C ATOM 46 CD1 PHE A 3 0.190 -4.397 -1.364 1.00 51.41 C ATOM 47 CD2 PHE A 3 -0.642 -6.530 -0.698 1.00 51.33 C ATOM 48 CE1 PHE A 3 -0.878 -4.246 -2.229 1.00 1.12 C ATOM 49 CE2 PHE A 3 -1.712 -6.385 -1.562 1.00 3.15 C ATOM 50 CZ PHE A 3 -1.830 -5.241 -2.327 1.00 34.13 C ATOM 0 H PHE A 3 2.848 -4.225 -1.811 1.00 12.04 H new ATOM 0 HA PHE A 3 3.604 -6.039 0.355 1.00 72.13 H new ATOM 0 HB2 PHE A 3 1.353 -6.618 0.920 1.00 40.12 H new ATOM 0 HB3 PHE A 3 1.478 -4.875 1.062 1.00 40.12 H new ATOM 0 HD1 PHE A 3 0.932 -3.616 -1.291 1.00 51.41 H new ATOM 0 HD2 PHE A 3 -0.555 -7.426 -0.101 1.00 51.33 H new ATOM 0 HE1 PHE A 3 -0.967 -3.351 -2.827 1.00 1.12 H new ATOM 0 HE2 PHE A 3 -2.455 -7.165 -1.639 1.00 3.15 H new ATOM 0 HZ PHE A 3 -2.666 -5.125 -3.001 1.00 34.13 H new ATOM 60 N ILE A 4 3.475 -7.890 -1.282 1.00 52.44 N ATOM 61 CA ILE A 4 3.521 -8.948 -2.284 1.00 13.13 C ATOM 62 C ILE A 4 3.388 -10.323 -1.637 1.00 41.50 C ATOM 63 O ILE A 4 3.724 -10.506 -0.467 1.00 5.11 O ATOM 64 CB ILE A 4 4.829 -8.899 -3.095 1.00 52.21 C ATOM 65 CG1 ILE A 4 5.090 -7.477 -3.597 1.00 22.12 C ATOM 66 CG2 ILE A 4 4.766 -9.874 -4.261 1.00 31.52 C ATOM 67 CD1 ILE A 4 4.093 -7.009 -4.633 1.00 74.11 C ATOM 0 H ILE A 4 3.994 -8.094 -0.428 1.00 52.44 H new ATOM 0 HA ILE A 4 2.680 -8.782 -2.957 1.00 13.13 H new ATOM 0 HB ILE A 4 5.653 -9.192 -2.445 1.00 52.21 H new ATOM 0 HG12 ILE A 4 5.070 -6.792 -2.749 1.00 22.12 H new ATOM 0 HG13 ILE A 4 6.093 -7.429 -4.022 1.00 22.12 H new ATOM 0 HG21 ILE A 4 5.698 -9.828 -4.825 1.00 31.52 H new ATOM 0 HG22 ILE A 4 4.621 -10.886 -3.882 1.00 31.52 H new ATOM 0 HG23 ILE A 4 3.934 -9.608 -4.913 1.00 31.52 H new ATOM 0 HD11 ILE A 4 4.340 -5.994 -4.943 1.00 74.11 H new ATOM 0 HD12 ILE A 4 4.129 -7.671 -5.498 1.00 74.11 H new ATOM 0 HD13 ILE A 4 3.090 -7.024 -4.206 1.00 74.11 H new ATOM 79 N LYS A 5 2.897 -11.288 -2.407 1.00 41.41 N ATOM 80 CA LYS A 5 2.722 -12.648 -1.912 1.00 4.11 C ATOM 81 C LYS A 5 4.068 -13.353 -1.772 1.00 13.13 C ATOM 82 O LYS A 5 5.095 -12.846 -2.223 1.00 70.23 O ATOM 83 CB LYS A 5 1.814 -13.442 -2.853 1.00 31.30 C ATOM 84 CG LYS A 5 2.546 -14.045 -4.040 1.00 33.35 C ATOM 85 CD LYS A 5 1.631 -14.188 -5.245 1.00 5.12 C ATOM 86 CE LYS A 5 2.242 -13.555 -6.486 1.00 2.24 C ATOM 87 NZ LYS A 5 1.535 -12.303 -6.875 1.00 24.21 N ATOM 0 H LYS A 5 2.613 -11.153 -3.377 1.00 41.41 H new ATOM 0 HA LYS A 5 2.256 -12.593 -0.928 1.00 4.11 H new ATOM 0 HB2 LYS A 5 1.332 -14.241 -2.290 1.00 31.30 H new ATOM 0 HB3 LYS A 5 1.023 -12.787 -3.219 1.00 31.30 H new ATOM 0 HG2 LYS A 5 3.398 -13.417 -4.301 1.00 33.35 H new ATOM 0 HG3 LYS A 5 2.943 -15.022 -3.766 1.00 33.35 H new ATOM 0 HD2 LYS A 5 1.436 -15.244 -5.432 1.00 5.12 H new ATOM 0 HD3 LYS A 5 0.670 -13.719 -5.032 1.00 5.12 H new ATOM 0 HE2 LYS A 5 3.294 -13.336 -6.302 1.00 2.24 H new ATOM 0 HE3 LYS A 5 2.204 -14.265 -7.312 1.00 2.24 H new ATOM 0 HZ1 LYS A 5 1.981 -11.902 -7.725 1.00 24.21 H new ATOM 0 HZ2 LYS A 5 0.537 -12.516 -7.076 1.00 24.21 H new ATOM 0 HZ3 LYS A 5 1.593 -11.616 -6.097 1.00 24.21 H new ATOM 101 N TYR A 6 4.054 -14.524 -1.145 1.00 1.12 N ATOM 102 CA TYR A 6 5.274 -15.298 -0.945 1.00 15.24 C ATOM 103 C TYR A 6 5.717 -15.962 -2.245 1.00 34.35 C ATOM 104 O TYR A 6 4.907 -16.199 -3.142 1.00 60.12 O ATOM 105 CB TYR A 6 5.058 -16.359 0.136 1.00 55.12 C ATOM 106 CG TYR A 6 4.701 -15.783 1.488 1.00 44.24 C ATOM 107 CD1 TYR A 6 5.585 -14.953 2.166 1.00 42.21 C ATOM 108 CD2 TYR A 6 3.480 -16.068 2.086 1.00 2.11 C ATOM 109 CE1 TYR A 6 5.264 -14.425 3.402 1.00 62.15 C ATOM 110 CE2 TYR A 6 3.150 -15.543 3.321 1.00 60.43 C ATOM 111 CZ TYR A 6 4.045 -14.723 3.975 1.00 65.04 C ATOM 112 OH TYR A 6 3.721 -14.198 5.205 1.00 63.13 O ATOM 0 H TYR A 6 3.212 -14.958 -0.767 1.00 1.12 H new ATOM 0 HA TYR A 6 6.059 -14.615 -0.622 1.00 15.24 H new ATOM 0 HB2 TYR A 6 4.264 -17.034 -0.183 1.00 55.12 H new ATOM 0 HB3 TYR A 6 5.964 -16.956 0.233 1.00 55.12 H new ATOM 0 HD1 TYR A 6 6.539 -14.716 1.719 1.00 42.21 H new ATOM 0 HD2 TYR A 6 2.777 -16.711 1.577 1.00 2.11 H new ATOM 0 HE1 TYR A 6 5.963 -13.783 3.916 1.00 62.15 H new ATOM 0 HE2 TYR A 6 2.196 -15.774 3.772 1.00 60.43 H new ATOM 0 HH TYR A 6 2.827 -14.504 5.466 1.00 63.13 H new ATOM 122 N LEU A 7 7.007 -16.262 -2.338 1.00 5.40 N ATOM 123 CA LEU A 7 7.561 -16.900 -3.527 1.00 73.03 C ATOM 124 C LEU A 7 8.101 -18.288 -3.199 1.00 34.31 C ATOM 125 O LEU A 7 9.312 -18.502 -3.165 1.00 4.12 O ATOM 126 CB LEU A 7 8.673 -16.036 -4.124 1.00 0.45 C ATOM 127 CG LEU A 7 8.458 -14.523 -4.054 1.00 22.32 C ATOM 128 CD1 LEU A 7 9.662 -13.786 -4.620 1.00 22.53 C ATOM 129 CD2 LEU A 7 7.191 -14.130 -4.799 1.00 1.32 C ATOM 0 H LEU A 7 7.690 -16.074 -1.604 1.00 5.40 H new ATOM 0 HA LEU A 7 6.760 -17.005 -4.258 1.00 73.03 H new ATOM 0 HB2 LEU A 7 9.605 -16.274 -3.612 1.00 0.45 H new ATOM 0 HB3 LEU A 7 8.802 -16.317 -5.169 1.00 0.45 H new ATOM 0 HG LEU A 7 8.343 -14.239 -3.008 1.00 22.32 H new ATOM 0 HD11 LEU A 7 9.491 -12.711 -4.562 1.00 22.53 H new ATOM 0 HD12 LEU A 7 10.550 -14.044 -4.043 1.00 22.53 H new ATOM 0 HD13 LEU A 7 9.809 -14.074 -5.661 1.00 22.53 H new ATOM 0 HD21 LEU A 7 7.054 -13.050 -4.739 1.00 1.32 H new ATOM 0 HD22 LEU A 7 7.276 -14.427 -5.844 1.00 1.32 H new ATOM 0 HD23 LEU A 7 6.334 -14.630 -4.348 1.00 1.32 H new ATOM 141 N SER A 8 7.193 -19.229 -2.960 1.00 31.32 N ATOM 142 CA SER A 8 7.578 -20.597 -2.633 1.00 32.23 C ATOM 143 C SER A 8 6.594 -21.597 -3.233 1.00 13.24 C ATOM 144 O SER A 8 5.487 -21.234 -3.633 1.00 42.52 O ATOM 145 CB SER A 8 7.648 -20.781 -1.115 1.00 54.24 C ATOM 146 OG SER A 8 6.353 -20.928 -0.559 1.00 75.14 O ATOM 0 H SER A 8 6.186 -19.069 -2.987 1.00 31.32 H new ATOM 0 HA SER A 8 8.563 -20.783 -3.060 1.00 32.23 H new ATOM 0 HB2 SER A 8 8.250 -21.658 -0.879 1.00 54.24 H new ATOM 0 HB3 SER A 8 8.146 -19.922 -0.664 1.00 54.24 H new ATOM 0 HG SER A 8 6.253 -20.320 0.203 1.00 75.14 H new ATOM 247 N MET A 15 9.880 -22.018 4.922 1.00 51.15 N ATOM 248 CA MET A 15 10.383 -21.606 3.616 1.00 2.44 C ATOM 249 C MET A 15 9.397 -20.669 2.925 1.00 65.24 C ATOM 250 O MET A 15 8.320 -21.088 2.504 1.00 62.42 O ATOM 251 CB MET A 15 10.645 -22.830 2.737 1.00 53.21 C ATOM 252 CG MET A 15 12.042 -23.406 2.898 1.00 31.50 C ATOM 253 SD MET A 15 13.327 -22.293 2.298 1.00 55.32 S ATOM 254 CE MET A 15 14.802 -23.194 2.766 1.00 71.13 C ATOM 0 HA MET A 15 11.320 -21.070 3.767 1.00 2.44 H new ATOM 0 HB2 MET A 15 9.913 -23.602 2.975 1.00 53.21 H new ATOM 0 HB3 MET A 15 10.492 -22.557 1.693 1.00 53.21 H new ATOM 0 HG2 MET A 15 12.221 -23.627 3.950 1.00 31.50 H new ATOM 0 HG3 MET A 15 12.105 -24.351 2.359 1.00 31.50 H new ATOM 0 HE1 MET A 15 15.684 -22.631 2.461 1.00 71.13 H new ATOM 0 HE2 MET A 15 14.816 -23.333 3.847 1.00 71.13 H new ATOM 0 HE3 MET A 15 14.805 -24.167 2.275 1.00 71.13 H new ATOM 264 N ASN A 16 9.774 -19.400 2.811 1.00 1.32 N ATOM 265 CA ASN A 16 8.922 -18.404 2.171 1.00 1.01 C ATOM 266 C ASN A 16 9.709 -17.136 1.857 1.00 45.51 C ATOM 267 O ASN A 16 10.665 -16.797 2.556 1.00 15.54 O ATOM 268 CB ASN A 16 7.730 -18.068 3.070 1.00 24.41 C ATOM 269 CG ASN A 16 6.545 -18.981 2.823 1.00 31.22 C ATOM 270 OD1 ASN A 16 6.162 -19.124 1.560 1.00 12.05 O flip ATOM 271 ND2 ASN A 16 5.981 -19.551 3.757 1.00 75.31 N flip ATOM 0 H ASN A 16 10.664 -19.037 3.153 1.00 1.32 H new ATOM 0 HA ASN A 16 8.555 -18.824 1.235 1.00 1.01 H new ATOM 0 HB2 ASN A 16 8.033 -18.145 4.114 1.00 24.41 H new ATOM 0 HB3 ASN A 16 7.430 -17.034 2.900 1.00 24.41 H new ATOM 0 HD21 ASN A 16 6.310 -19.412 4.713 1.00 75.31 H new ATOM 0 HD22 ASN A 16 5.185 -20.162 3.575 1.00 75.31 H new ATOM 278 N ILE A 17 9.302 -16.439 0.801 1.00 12.04 N ATOM 279 CA ILE A 17 9.968 -15.207 0.396 1.00 72.52 C ATOM 280 C ILE A 17 8.970 -14.062 0.261 1.00 4.11 C ATOM 281 O ILE A 17 8.199 -14.006 -0.696 1.00 71.50 O ATOM 282 CB ILE A 17 10.713 -15.384 -0.940 1.00 61.23 C ATOM 283 CG1 ILE A 17 11.828 -16.422 -0.794 1.00 75.32 C ATOM 284 CG2 ILE A 17 11.280 -14.053 -1.411 1.00 21.05 C ATOM 285 CD1 ILE A 17 12.309 -16.982 -2.115 1.00 33.14 C ATOM 0 H ILE A 17 8.514 -16.707 0.211 1.00 12.04 H new ATOM 0 HA ILE A 17 10.690 -14.966 1.176 1.00 72.52 H new ATOM 0 HB ILE A 17 10.006 -15.741 -1.689 1.00 61.23 H new ATOM 0 HG12 ILE A 17 12.671 -15.967 -0.273 1.00 75.32 H new ATOM 0 HG13 ILE A 17 11.471 -17.241 -0.170 1.00 75.32 H new ATOM 0 HG21 ILE A 17 11.804 -14.195 -2.356 1.00 21.05 H new ATOM 0 HG22 ILE A 17 10.467 -13.340 -1.550 1.00 21.05 H new ATOM 0 HG23 ILE A 17 11.976 -13.669 -0.665 1.00 21.05 H new ATOM 0 HD11 ILE A 17 13.099 -17.711 -1.935 1.00 33.14 H new ATOM 0 HD12 ILE A 17 11.479 -17.466 -2.629 1.00 33.14 H new ATOM 0 HD13 ILE A 17 12.696 -16.173 -2.734 1.00 33.14 H new ATOM 297 N ALA A 18 8.993 -13.148 1.226 1.00 63.12 N ATOM 298 CA ALA A 18 8.094 -12.001 1.213 1.00 31.11 C ATOM 299 C ALA A 18 8.676 -10.856 0.390 1.00 34.53 C ATOM 300 O ALA A 18 9.738 -10.325 0.712 1.00 2.31 O ATOM 301 CB ALA A 18 7.807 -11.540 2.634 1.00 2.53 C ATOM 0 H ALA A 18 9.625 -13.180 2.026 1.00 63.12 H new ATOM 0 HA ALA A 18 7.158 -12.309 0.747 1.00 31.11 H new ATOM 0 HB1 ALA A 18 7.134 -10.683 2.610 1.00 2.53 H new ATOM 0 HB2 ALA A 18 7.340 -12.351 3.193 1.00 2.53 H new ATOM 0 HB3 ALA A 18 8.740 -11.255 3.120 1.00 2.53 H new ATOM 307 N VAL A 19 7.973 -10.482 -0.674 1.00 14.11 N ATOM 308 CA VAL A 19 8.419 -9.400 -1.543 1.00 3.31 C ATOM 309 C VAL A 19 7.618 -8.127 -1.292 1.00 24.03 C ATOM 310 O VAL A 19 6.568 -8.159 -0.650 1.00 50.52 O ATOM 311 CB VAL A 19 8.296 -9.786 -3.029 1.00 11.11 C ATOM 312 CG1 VAL A 19 9.428 -9.169 -3.837 1.00 33.43 C ATOM 313 CG2 VAL A 19 8.280 -11.299 -3.186 1.00 42.11 C ATOM 0 H VAL A 19 7.092 -10.913 -0.955 1.00 14.11 H new ATOM 0 HA VAL A 19 9.468 -9.218 -1.308 1.00 3.31 H new ATOM 0 HB VAL A 19 7.354 -9.394 -3.412 1.00 11.11 H new ATOM 0 HG11 VAL A 19 9.324 -9.453 -4.884 1.00 33.43 H new ATOM 0 HG12 VAL A 19 9.388 -8.083 -3.750 1.00 33.43 H new ATOM 0 HG13 VAL A 19 10.384 -9.528 -3.457 1.00 33.43 H new ATOM 0 HG21 VAL A 19 8.193 -11.554 -4.242 1.00 42.11 H new ATOM 0 HG22 VAL A 19 9.205 -11.716 -2.787 1.00 42.11 H new ATOM 0 HG23 VAL A 19 7.431 -11.712 -2.641 1.00 42.11 H new ATOM 323 N TYR A 20 8.121 -7.008 -1.802 1.00 21.33 N ATOM 324 CA TYR A 20 7.454 -5.723 -1.631 1.00 74.22 C ATOM 325 C TYR A 20 7.738 -4.801 -2.812 1.00 41.54 C ATOM 326 O TYR A 20 8.884 -4.654 -3.237 1.00 12.23 O ATOM 327 CB TYR A 20 7.906 -5.059 -0.330 1.00 11.51 C ATOM 328 CG TYR A 20 7.793 -5.958 0.880 1.00 4.23 C ATOM 329 CD1 TYR A 20 6.581 -6.119 1.540 1.00 1.00 C ATOM 330 CD2 TYR A 20 8.899 -6.645 1.365 1.00 61.52 C ATOM 331 CE1 TYR A 20 6.473 -6.939 2.647 1.00 65.04 C ATOM 332 CE2 TYR A 20 8.801 -7.469 2.470 1.00 55.33 C ATOM 333 CZ TYR A 20 7.586 -7.612 3.107 1.00 32.03 C ATOM 334 OH TYR A 20 7.484 -8.430 4.209 1.00 32.11 O ATOM 0 H TYR A 20 8.988 -6.965 -2.337 1.00 21.33 H new ATOM 0 HA TYR A 20 6.380 -5.903 -1.584 1.00 74.22 H new ATOM 0 HB2 TYR A 20 8.942 -4.737 -0.437 1.00 11.51 H new ATOM 0 HB3 TYR A 20 7.309 -4.162 -0.163 1.00 11.51 H new ATOM 0 HD1 TYR A 20 5.708 -5.594 1.182 1.00 1.00 H new ATOM 0 HD2 TYR A 20 9.852 -6.533 0.870 1.00 61.52 H new ATOM 0 HE1 TYR A 20 5.523 -7.052 3.149 1.00 65.04 H new ATOM 0 HE2 TYR A 20 9.670 -7.998 2.833 1.00 55.33 H new ATOM 0 HH TYR A 20 8.358 -8.830 4.401 1.00 32.11 H new ATOM 344 N GLU A 21 6.686 -4.181 -3.338 1.00 11.33 N ATOM 345 CA GLU A 21 6.822 -3.272 -4.470 1.00 62.21 C ATOM 346 C GLU A 21 6.970 -1.829 -3.995 1.00 71.43 C ATOM 347 O GLU A 21 6.479 -1.463 -2.929 1.00 11.33 O ATOM 348 CB GLU A 21 5.612 -3.394 -5.398 1.00 40.35 C ATOM 349 CG GLU A 21 5.794 -4.420 -6.504 1.00 52.02 C ATOM 350 CD GLU A 21 4.522 -4.657 -7.295 1.00 50.33 C ATOM 351 OE1 GLU A 21 3.800 -3.675 -7.566 1.00 52.24 O ATOM 352 OE2 GLU A 21 4.249 -5.825 -7.643 1.00 44.25 O ATOM 0 H GLU A 21 5.731 -4.292 -2.998 1.00 11.33 H new ATOM 0 HA GLU A 21 7.722 -3.549 -5.020 1.00 62.21 H new ATOM 0 HB2 GLU A 21 4.737 -3.661 -4.806 1.00 40.35 H new ATOM 0 HB3 GLU A 21 5.409 -2.421 -5.846 1.00 40.35 H new ATOM 0 HG2 GLU A 21 6.581 -4.084 -7.180 1.00 52.02 H new ATOM 0 HG3 GLU A 21 6.128 -5.362 -6.069 1.00 52.02 H new ATOM 359 N ASN A 22 7.651 -1.016 -4.796 1.00 72.00 N ATOM 360 CA ASN A 22 7.865 0.386 -4.458 1.00 11.41 C ATOM 361 C ASN A 22 6.853 1.278 -5.171 1.00 12.45 C ATOM 362 O ASN A 22 7.195 1.997 -6.109 1.00 71.50 O ATOM 363 CB ASN A 22 9.287 0.811 -4.830 1.00 51.12 C ATOM 364 CG ASN A 22 9.529 2.289 -4.594 1.00 5.23 C ATOM 365 OD1 ASN A 22 8.968 2.882 -3.672 1.00 41.13 O ATOM 366 ND2 ASN A 22 10.369 2.892 -5.428 1.00 22.35 N ATOM 0 H ASN A 22 8.064 -1.304 -5.683 1.00 72.00 H new ATOM 0 HA ASN A 22 7.729 0.499 -3.382 1.00 11.41 H new ATOM 0 HB2 ASN A 22 10.001 0.231 -4.246 1.00 51.12 H new ATOM 0 HB3 ASN A 22 9.470 0.579 -5.879 1.00 51.12 H new ATOM 0 HD21 ASN A 22 10.571 3.886 -5.318 1.00 22.35 H new ATOM 0 HD22 ASN A 22 10.812 2.361 -6.178 1.00 22.35 H new ATOM 373 N GLY A 23 5.604 1.227 -4.717 1.00 10.23 N ATOM 374 CA GLY A 23 4.561 2.035 -5.322 1.00 2.24 C ATOM 375 C GLY A 23 4.524 1.899 -6.831 1.00 4.11 C ATOM 376 O GLY A 23 4.550 0.789 -7.362 1.00 20.34 O ATOM 0 H GLY A 23 5.296 0.641 -3.941 1.00 10.23 H new ATOM 0 HA2 GLY A 23 3.595 1.743 -4.910 1.00 2.24 H new ATOM 0 HA3 GLY A 23 4.717 3.081 -5.058 1.00 2.24 H new ATOM 380 N SER A 24 4.462 3.031 -7.524 1.00 44.43 N ATOM 381 CA SER A 24 4.416 3.034 -8.982 1.00 22.42 C ATOM 382 C SER A 24 5.608 2.280 -9.564 1.00 60.12 C ATOM 383 O SER A 24 5.529 1.719 -10.657 1.00 43.04 O ATOM 384 CB SER A 24 4.398 4.469 -9.510 1.00 44.23 C ATOM 385 OG SER A 24 3.459 5.261 -8.804 1.00 60.02 O ATOM 0 H SER A 24 4.442 3.958 -7.100 1.00 44.43 H new ATOM 0 HA SER A 24 3.502 2.529 -9.293 1.00 22.42 H new ATOM 0 HB2 SER A 24 5.392 4.907 -9.415 1.00 44.23 H new ATOM 0 HB3 SER A 24 4.151 4.466 -10.572 1.00 44.23 H new ATOM 0 HG SER A 24 3.468 6.174 -9.160 1.00 60.02 H new ATOM 391 N LYS A 25 6.713 2.271 -8.826 1.00 14.31 N ATOM 392 CA LYS A 25 7.922 1.586 -9.266 1.00 3.41 C ATOM 393 C LYS A 25 7.928 0.136 -8.795 1.00 21.42 C ATOM 394 O LYS A 25 7.353 -0.192 -7.756 1.00 44.51 O ATOM 395 CB LYS A 25 9.163 2.310 -8.738 1.00 63.03 C ATOM 396 CG LYS A 25 9.233 3.772 -9.144 1.00 65.11 C ATOM 397 CD LYS A 25 10.031 3.958 -10.424 1.00 72.42 C ATOM 398 CE LYS A 25 10.970 5.150 -10.328 1.00 22.12 C ATOM 399 NZ LYS A 25 11.985 4.971 -9.253 1.00 12.15 N ATOM 0 H LYS A 25 6.796 2.731 -7.919 1.00 14.31 H new ATOM 0 HA LYS A 25 7.939 1.595 -10.356 1.00 3.41 H new ATOM 0 HB2 LYS A 25 9.177 2.243 -7.650 1.00 63.03 H new ATOM 0 HB3 LYS A 25 10.054 1.798 -9.101 1.00 63.03 H new ATOM 0 HG2 LYS A 25 8.224 4.160 -9.283 1.00 65.11 H new ATOM 0 HG3 LYS A 25 9.690 4.352 -8.342 1.00 65.11 H new ATOM 0 HD2 LYS A 25 10.607 3.056 -10.629 1.00 72.42 H new ATOM 0 HD3 LYS A 25 9.348 4.098 -11.262 1.00 72.42 H new ATOM 0 HE2 LYS A 25 11.474 5.293 -11.284 1.00 22.12 H new ATOM 0 HE3 LYS A 25 10.392 6.053 -10.135 1.00 22.12 H new ATOM 0 HZ1 LYS A 25 12.857 5.475 -9.512 1.00 12.15 H new ATOM 0 HZ2 LYS A 25 11.616 5.355 -8.360 1.00 12.15 H new ATOM 0 HZ3 LYS A 25 12.192 3.959 -9.136 1.00 12.15 H new ATOM 413 N ILE A 26 8.582 -0.729 -9.564 1.00 15.32 N ATOM 414 CA ILE A 26 8.664 -2.144 -9.223 1.00 13.51 C ATOM 415 C ILE A 26 9.841 -2.417 -8.293 1.00 71.52 C ATOM 416 O ILE A 26 10.985 -2.088 -8.608 1.00 12.04 O ATOM 417 CB ILE A 26 8.804 -3.019 -10.482 1.00 40.12 C ATOM 418 CG1 ILE A 26 7.613 -2.800 -11.417 1.00 50.04 C ATOM 419 CG2 ILE A 26 8.919 -4.486 -10.097 1.00 64.22 C ATOM 420 CD1 ILE A 26 6.312 -3.353 -10.879 1.00 1.44 C ATOM 0 H ILE A 26 9.063 -0.474 -10.427 1.00 15.32 H new ATOM 0 HA ILE A 26 7.735 -2.401 -8.714 1.00 13.51 H new ATOM 0 HB ILE A 26 9.713 -2.729 -11.009 1.00 40.12 H new ATOM 0 HG12 ILE A 26 7.496 -1.732 -11.599 1.00 50.04 H new ATOM 0 HG13 ILE A 26 7.826 -3.266 -12.379 1.00 50.04 H new ATOM 0 HG21 ILE A 26 9.017 -5.092 -10.998 1.00 64.22 H new ATOM 0 HG22 ILE A 26 9.796 -4.629 -9.466 1.00 64.22 H new ATOM 0 HG23 ILE A 26 8.026 -4.790 -9.551 1.00 64.22 H new ATOM 0 HD11 ILE A 26 5.512 -3.162 -11.594 1.00 1.44 H new ATOM 0 HD12 ILE A 26 6.410 -4.427 -10.723 1.00 1.44 H new ATOM 0 HD13 ILE A 26 6.075 -2.869 -9.931 1.00 1.44 H new ATOM 432 N LYS A 27 9.553 -3.024 -7.147 1.00 25.43 N ATOM 433 CA LYS A 27 10.588 -3.347 -6.171 1.00 13.33 C ATOM 434 C LYS A 27 10.547 -4.827 -5.804 1.00 3.21 C ATOM 435 O LYS A 27 9.474 -5.406 -5.641 1.00 70.44 O ATOM 436 CB LYS A 27 10.414 -2.494 -4.912 1.00 50.52 C ATOM 437 CG LYS A 27 11.437 -2.791 -3.830 1.00 4.31 C ATOM 438 CD LYS A 27 11.810 -1.537 -3.056 1.00 21.53 C ATOM 439 CE LYS A 27 10.859 -1.297 -1.893 1.00 62.11 C ATOM 440 NZ LYS A 27 11.061 -2.286 -0.798 1.00 2.31 N ATOM 0 H LYS A 27 8.611 -3.302 -6.871 1.00 25.43 H new ATOM 0 HA LYS A 27 11.557 -3.129 -6.620 1.00 13.33 H new ATOM 0 HB2 LYS A 27 10.481 -1.441 -5.185 1.00 50.52 H new ATOM 0 HB3 LYS A 27 9.414 -2.656 -4.509 1.00 50.52 H new ATOM 0 HG2 LYS A 27 11.036 -3.537 -3.144 1.00 4.31 H new ATOM 0 HG3 LYS A 27 12.331 -3.221 -4.281 1.00 4.31 H new ATOM 0 HD2 LYS A 27 12.829 -1.629 -2.681 1.00 21.53 H new ATOM 0 HD3 LYS A 27 11.793 -0.677 -3.725 1.00 21.53 H new ATOM 0 HE2 LYS A 27 11.008 -0.290 -1.504 1.00 62.11 H new ATOM 0 HE3 LYS A 27 9.830 -1.353 -2.248 1.00 62.11 H new ATOM 0 HZ1 LYS A 27 10.648 -1.918 0.083 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 10.598 -3.182 -1.050 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 12.079 -2.449 -0.661 1.00 2.31 H new ATOM 454 N ALA A 28 11.723 -5.432 -5.674 1.00 4.22 N ATOM 455 CA ALA A 28 11.822 -6.843 -5.323 1.00 33.14 C ATOM 456 C ALA A 28 12.735 -7.047 -4.118 1.00 52.33 C ATOM 457 O ALA A 28 13.956 -6.942 -4.229 1.00 4.10 O ATOM 458 CB ALA A 28 12.325 -7.649 -6.511 1.00 52.11 C ATOM 0 H ALA A 28 12.621 -4.967 -5.807 1.00 4.22 H new ATOM 0 HA ALA A 28 10.826 -7.195 -5.055 1.00 33.14 H new ATOM 0 HB1 ALA A 28 12.394 -8.701 -6.234 1.00 52.11 H new ATOM 0 HB2 ALA A 28 11.632 -7.538 -7.345 1.00 52.11 H new ATOM 0 HB3 ALA A 28 13.310 -7.286 -6.806 1.00 52.11 H new ATOM 464 N ARG A 29 12.134 -7.337 -2.969 1.00 24.51 N ATOM 465 CA ARG A 29 12.894 -7.554 -1.743 1.00 41.25 C ATOM 466 C ARG A 29 12.700 -8.977 -1.227 1.00 40.35 C ATOM 467 O ARG A 29 11.651 -9.311 -0.676 1.00 42.22 O ATOM 468 CB ARG A 29 12.470 -6.549 -0.671 1.00 51.30 C ATOM 469 CG ARG A 29 13.288 -6.640 0.607 1.00 42.44 C ATOM 470 CD ARG A 29 12.586 -5.954 1.768 1.00 52.41 C ATOM 471 NE ARG A 29 12.525 -4.505 1.592 1.00 20.12 N ATOM 472 CZ ARG A 29 12.226 -3.658 2.571 1.00 73.02 C ATOM 473 NH1 ARG A 29 11.962 -4.113 3.788 1.00 52.40 N ATOM 474 NH2 ARG A 29 12.190 -2.353 2.333 1.00 64.13 N ATOM 0 H ARG A 29 11.124 -7.427 -2.861 1.00 24.51 H new ATOM 0 HA ARG A 29 13.950 -7.410 -1.970 1.00 41.25 H new ATOM 0 HB2 ARG A 29 12.556 -5.541 -1.076 1.00 51.30 H new ATOM 0 HB3 ARG A 29 11.419 -6.708 -0.431 1.00 51.30 H new ATOM 0 HG2 ARG A 29 13.464 -7.687 0.854 1.00 42.44 H new ATOM 0 HG3 ARG A 29 14.264 -6.182 0.449 1.00 42.44 H new ATOM 0 HD2 ARG A 29 11.575 -6.350 1.866 1.00 52.41 H new ATOM 0 HD3 ARG A 29 13.110 -6.185 2.696 1.00 52.41 H new ATOM 0 HE ARG A 29 12.723 -4.123 0.667 1.00 20.12 H new ATOM 0 HH11 ARG A 29 11.988 -5.115 3.974 1.00 52.40 H new ATOM 0 HH12 ARG A 29 11.733 -3.461 4.538 1.00 52.40 H new ATOM 0 HH21 ARG A 29 12.392 -1.999 1.398 1.00 64.13 H new ATOM 0 HH22 ARG A 29 11.960 -1.704 3.085 1.00 64.13 H new ATOM 488 N VAL A 30 13.718 -9.811 -1.411 1.00 23.21 N ATOM 489 CA VAL A 30 13.660 -11.198 -0.964 1.00 4.23 C ATOM 490 C VAL A 30 13.864 -11.298 0.544 1.00 70.02 C ATOM 491 O VAL A 30 14.987 -11.199 1.036 1.00 64.02 O ATOM 492 CB VAL A 30 14.721 -12.061 -1.672 1.00 42.24 C ATOM 493 CG1 VAL A 30 14.805 -13.438 -1.031 1.00 41.52 C ATOM 494 CG2 VAL A 30 14.411 -12.173 -3.157 1.00 73.24 C ATOM 0 H VAL A 30 14.593 -9.551 -1.866 1.00 23.21 H new ATOM 0 HA VAL A 30 12.669 -11.572 -1.220 1.00 4.23 H new ATOM 0 HB VAL A 30 15.691 -11.576 -1.562 1.00 42.24 H new ATOM 0 HG11 VAL A 30 15.560 -14.033 -1.545 1.00 41.52 H new ATOM 0 HG12 VAL A 30 15.078 -13.334 0.019 1.00 41.52 H new ATOM 0 HG13 VAL A 30 13.838 -13.935 -1.107 1.00 41.52 H new ATOM 0 HG21 VAL A 30 15.171 -12.786 -3.642 1.00 73.24 H new ATOM 0 HG22 VAL A 30 13.433 -12.634 -3.291 1.00 73.24 H new ATOM 0 HG23 VAL A 30 14.407 -11.179 -3.604 1.00 73.24 H new ATOM 504 N GLU A 31 12.769 -11.496 1.272 1.00 41.55 N ATOM 505 CA GLU A 31 12.828 -11.609 2.724 1.00 3.11 C ATOM 506 C GLU A 31 12.546 -13.041 3.170 1.00 44.20 C ATOM 507 O GLU A 31 11.455 -13.566 2.954 1.00 41.21 O ATOM 508 CB GLU A 31 11.825 -10.654 3.374 1.00 53.13 C ATOM 509 CG GLU A 31 11.631 -10.894 4.861 1.00 33.54 C ATOM 510 CD GLU A 31 10.986 -9.715 5.564 1.00 62.31 C ATOM 511 OE1 GLU A 31 11.287 -8.563 5.188 1.00 21.21 O ATOM 512 OE2 GLU A 31 10.180 -9.945 6.490 1.00 61.52 O ATOM 0 H GLU A 31 11.831 -11.581 0.880 1.00 41.55 H new ATOM 0 HA GLU A 31 13.835 -11.339 3.043 1.00 3.11 H new ATOM 0 HB2 GLU A 31 12.161 -9.628 3.221 1.00 53.13 H new ATOM 0 HB3 GLU A 31 10.863 -10.753 2.870 1.00 53.13 H new ATOM 0 HG2 GLU A 31 11.013 -11.780 5.004 1.00 33.54 H new ATOM 0 HG3 GLU A 31 12.597 -11.102 5.321 1.00 33.54 H new ATOM 519 N ASN A 32 13.540 -13.667 3.793 1.00 13.40 N ATOM 520 CA ASN A 32 13.400 -15.038 4.269 1.00 71.23 C ATOM 521 C ASN A 32 12.817 -15.068 5.678 1.00 33.41 C ATOM 522 O ASN A 32 12.587 -14.025 6.289 1.00 1.42 O ATOM 523 CB ASN A 32 14.756 -15.747 4.250 1.00 33.13 C ATOM 524 CG ASN A 32 14.622 -17.247 4.067 1.00 14.44 C ATOM 525 OD1 ASN A 32 13.755 -17.718 3.331 1.00 21.20 O ATOM 526 ND2 ASN A 32 15.481 -18.004 4.739 1.00 4.40 N ATOM 0 H ASN A 32 14.450 -13.246 3.980 1.00 13.40 H new ATOM 0 HA ASN A 32 12.715 -15.560 3.601 1.00 71.23 H new ATOM 0 HB2 ASN A 32 15.365 -15.338 3.444 1.00 33.13 H new ATOM 0 HB3 ASN A 32 15.283 -15.543 5.182 1.00 33.13 H new ATOM 0 HD21 ASN A 32 15.439 -19.020 4.657 1.00 4.40 H new ATOM 0 HD22 ASN A 32 16.183 -17.570 5.338 1.00 4.40 H new ATOM 533 N VAL A 33 12.580 -16.272 6.189 1.00 33.50 N ATOM 534 CA VAL A 33 12.025 -16.440 7.527 1.00 1.40 C ATOM 535 C VAL A 33 12.954 -17.268 8.408 1.00 42.44 C ATOM 536 O VAL A 33 13.030 -17.058 9.618 1.00 4.42 O ATOM 537 CB VAL A 33 10.642 -17.116 7.481 1.00 51.32 C ATOM 538 CG1 VAL A 33 9.602 -16.166 6.907 1.00 11.41 C ATOM 539 CG2 VAL A 33 10.705 -18.402 6.671 1.00 20.13 C ATOM 0 H VAL A 33 12.764 -17.146 5.696 1.00 33.50 H new ATOM 0 HA VAL A 33 11.919 -15.442 7.953 1.00 1.40 H new ATOM 0 HB VAL A 33 10.346 -17.368 8.499 1.00 51.32 H new ATOM 0 HG11 VAL A 33 8.631 -16.661 6.882 1.00 11.41 H new ATOM 0 HG12 VAL A 33 9.539 -15.275 7.532 1.00 11.41 H new ATOM 0 HG13 VAL A 33 9.889 -15.880 5.895 1.00 11.41 H new ATOM 0 HG21 VAL A 33 9.719 -18.867 6.649 1.00 20.13 H new ATOM 0 HG22 VAL A 33 11.022 -18.176 5.653 1.00 20.13 H new ATOM 0 HG23 VAL A 33 11.418 -19.086 7.130 1.00 20.13 H new ATOM 549 N VAL A 34 13.661 -18.210 7.791 1.00 35.13 N ATOM 550 CA VAL A 34 14.587 -19.070 8.518 1.00 12.35 C ATOM 551 C VAL A 34 15.535 -18.248 9.385 1.00 55.33 C ATOM 552 O VAL A 34 15.433 -18.253 10.611 1.00 51.13 O ATOM 553 CB VAL A 34 15.415 -19.943 7.557 1.00 52.10 C ATOM 554 CG1 VAL A 34 16.390 -20.815 8.333 1.00 1.30 C ATOM 555 CG2 VAL A 34 14.500 -20.794 6.689 1.00 31.04 C ATOM 0 H VAL A 34 13.610 -18.397 6.790 1.00 35.13 H new ATOM 0 HA VAL A 34 13.984 -19.716 9.156 1.00 12.35 H new ATOM 0 HB VAL A 34 15.992 -19.288 6.904 1.00 52.10 H new ATOM 0 HG11 VAL A 34 16.966 -21.425 7.637 1.00 1.30 H new ATOM 0 HG12 VAL A 34 17.067 -20.182 8.907 1.00 1.30 H new ATOM 0 HG13 VAL A 34 15.837 -21.464 9.012 1.00 1.30 H new ATOM 0 HG21 VAL A 34 15.102 -21.405 6.016 1.00 31.04 H new ATOM 0 HG22 VAL A 34 13.895 -21.442 7.324 1.00 31.04 H new ATOM 0 HG23 VAL A 34 13.847 -20.146 6.105 1.00 31.04 H new ATOM 565 N ASN A 35 16.456 -17.541 8.738 1.00 22.40 N ATOM 566 CA ASN A 35 17.423 -16.714 9.450 1.00 42.54 C ATOM 567 C ASN A 35 16.717 -15.687 10.330 1.00 31.00 C ATOM 568 O ASN A 35 17.281 -15.200 11.309 1.00 43.35 O ATOM 569 CB ASN A 35 18.345 -16.002 8.457 1.00 22.40 C ATOM 570 CG ASN A 35 19.695 -16.683 8.332 1.00 11.52 C ATOM 571 OD1 ASN A 35 19.846 -17.855 8.675 1.00 35.23 O ATOM 572 ND2 ASN A 35 20.685 -15.947 7.839 1.00 15.03 N ATOM 0 H ASN A 35 16.553 -17.524 7.723 1.00 22.40 H new ATOM 0 HA ASN A 35 18.020 -17.365 10.089 1.00 42.54 H new ATOM 0 HB2 ASN A 35 17.865 -15.970 7.479 1.00 22.40 H new ATOM 0 HB3 ASN A 35 18.490 -14.970 8.775 1.00 22.40 H new ATOM 0 HD21 ASN A 35 21.616 -16.350 7.732 1.00 15.03 H new ATOM 0 HD22 ASN A 35 20.514 -14.979 7.567 1.00 15.03 H new ATOM 579 N GLY A 36 15.477 -15.364 9.975 1.00 41.53 N ATOM 580 CA GLY A 36 14.713 -14.397 10.743 1.00 65.54 C ATOM 581 C GLY A 36 15.000 -12.969 10.326 1.00 42.42 C ATOM 582 O GLY A 36 14.345 -12.035 10.789 1.00 74.01 O ATOM 0 H GLY A 36 14.988 -15.754 9.170 1.00 41.53 H new ATOM 0 HA2 GLY A 36 13.649 -14.601 10.622 1.00 65.54 H new ATOM 0 HA3 GLY A 36 14.942 -14.516 11.802 1.00 65.54 H new ATOM 586 N LYS A 37 15.984 -12.796 9.450 1.00 40.43 N ATOM 587 CA LYS A 37 16.358 -11.470 8.970 1.00 72.51 C ATOM 588 C LYS A 37 16.336 -11.417 7.446 1.00 71.53 C ATOM 589 O LYS A 37 17.056 -12.161 6.779 1.00 52.31 O ATOM 590 CB LYS A 37 17.749 -11.093 9.484 1.00 70.00 C ATOM 591 CG LYS A 37 18.370 -9.917 8.751 1.00 52.42 C ATOM 592 CD LYS A 37 17.474 -8.691 8.804 1.00 53.32 C ATOM 593 CE LYS A 37 18.284 -7.405 8.749 1.00 4.14 C ATOM 594 NZ LYS A 37 17.422 -6.199 8.893 1.00 23.10 N ATOM 0 H LYS A 37 16.537 -13.558 9.058 1.00 40.43 H new ATOM 0 HA LYS A 37 15.630 -10.754 9.351 1.00 72.51 H new ATOM 0 HB2 LYS A 37 17.683 -10.855 10.546 1.00 70.00 H new ATOM 0 HB3 LYS A 37 18.408 -11.957 9.392 1.00 70.00 H new ATOM 0 HG2 LYS A 37 19.338 -9.681 9.194 1.00 52.42 H new ATOM 0 HG3 LYS A 37 18.553 -10.190 7.712 1.00 52.42 H new ATOM 0 HD2 LYS A 37 16.772 -8.716 7.970 1.00 53.32 H new ATOM 0 HD3 LYS A 37 16.883 -8.711 9.719 1.00 53.32 H new ATOM 0 HE2 LYS A 37 19.032 -7.413 9.542 1.00 4.14 H new ATOM 0 HE3 LYS A 37 18.823 -7.355 7.803 1.00 4.14 H new ATOM 0 HZ1 LYS A 37 18.012 -5.344 8.850 1.00 23.10 H new ATOM 0 HZ2 LYS A 37 16.724 -6.177 8.122 1.00 23.10 H new ATOM 0 HZ3 LYS A 37 16.927 -6.233 9.807 1.00 23.10 H new ATOM 608 N SER A 38 15.507 -10.533 6.901 1.00 75.34 N ATOM 609 CA SER A 38 15.390 -10.385 5.455 1.00 74.13 C ATOM 610 C SER A 38 16.761 -10.191 4.816 1.00 44.51 C ATOM 611 O SER A 38 17.460 -9.219 5.103 1.00 45.42 O ATOM 612 CB SER A 38 14.483 -9.201 5.114 1.00 40.13 C ATOM 613 OG SER A 38 15.123 -7.970 5.402 1.00 54.53 O ATOM 0 H SER A 38 14.906 -9.908 7.439 1.00 75.34 H new ATOM 0 HA SER A 38 14.949 -11.298 5.056 1.00 74.13 H new ATOM 0 HB2 SER A 38 14.214 -9.237 4.058 1.00 40.13 H new ATOM 0 HB3 SER A 38 13.555 -9.274 5.682 1.00 40.13 H new ATOM 0 HG SER A 38 16.083 -8.122 5.531 1.00 54.53 H new ATOM 619 N VAL A 39 17.140 -11.123 3.947 1.00 5.24 N ATOM 620 CA VAL A 39 18.428 -11.055 3.266 1.00 13.21 C ATOM 621 C VAL A 39 18.245 -10.912 1.759 1.00 21.23 C ATOM 622 O VAL A 39 18.677 -11.767 0.987 1.00 22.03 O ATOM 623 CB VAL A 39 19.281 -12.305 3.553 1.00 41.43 C ATOM 624 CG1 VAL A 39 19.972 -12.181 4.902 1.00 64.40 C ATOM 625 CG2 VAL A 39 18.423 -13.559 3.497 1.00 61.44 C ATOM 0 H VAL A 39 16.574 -11.934 3.698 1.00 5.24 H new ATOM 0 HA VAL A 39 18.945 -10.176 3.651 1.00 13.21 H new ATOM 0 HB VAL A 39 20.050 -12.384 2.784 1.00 41.43 H new ATOM 0 HG11 VAL A 39 20.570 -13.073 5.088 1.00 64.40 H new ATOM 0 HG12 VAL A 39 20.619 -11.304 4.900 1.00 64.40 H new ATOM 0 HG13 VAL A 39 19.222 -12.077 5.687 1.00 64.40 H new ATOM 0 HG21 VAL A 39 19.042 -14.433 3.702 1.00 61.44 H new ATOM 0 HG22 VAL A 39 17.631 -13.492 4.243 1.00 61.44 H new ATOM 0 HG23 VAL A 39 17.980 -13.653 2.505 1.00 61.44 H new ATOM 635 N GLY A 40 17.601 -9.824 1.347 1.00 63.21 N ATOM 636 CA GLY A 40 17.373 -9.589 -0.067 1.00 11.42 C ATOM 637 C GLY A 40 16.911 -8.173 -0.351 1.00 63.25 C ATOM 638 O GLY A 40 15.964 -7.686 0.265 1.00 23.12 O ATOM 0 H GLY A 40 17.233 -9.102 1.967 1.00 63.21 H new ATOM 0 HA2 GLY A 40 18.293 -9.785 -0.618 1.00 11.42 H new ATOM 0 HA3 GLY A 40 16.625 -10.292 -0.433 1.00 11.42 H new ATOM 642 N ALA A 41 17.583 -7.510 -1.287 1.00 61.43 N ATOM 643 CA ALA A 41 17.236 -6.143 -1.652 1.00 41.54 C ATOM 644 C ALA A 41 17.601 -5.852 -3.104 1.00 65.42 C ATOM 645 O ALA A 41 18.739 -6.067 -3.523 1.00 22.14 O ATOM 646 CB ALA A 41 17.930 -5.156 -0.724 1.00 71.44 C ATOM 0 H ALA A 41 18.371 -7.898 -1.806 1.00 61.43 H new ATOM 0 HA ALA A 41 16.157 -6.028 -1.546 1.00 41.54 H new ATOM 0 HB1 ALA A 41 17.662 -4.139 -1.009 1.00 71.44 H new ATOM 0 HB2 ALA A 41 17.616 -5.340 0.303 1.00 71.44 H new ATOM 0 HB3 ALA A 41 19.010 -5.281 -0.801 1.00 71.44 H new ATOM 652 N ARG A 42 16.630 -5.364 -3.868 1.00 35.31 N ATOM 653 CA ARG A 42 16.849 -5.047 -5.274 1.00 10.22 C ATOM 654 C ARG A 42 15.891 -3.955 -5.741 1.00 10.35 C ATOM 655 O ARG A 42 14.846 -3.730 -5.130 1.00 53.42 O ATOM 656 CB ARG A 42 16.671 -6.298 -6.135 1.00 60.42 C ATOM 657 CG ARG A 42 17.979 -6.995 -6.475 1.00 54.45 C ATOM 658 CD ARG A 42 18.890 -6.097 -7.298 1.00 73.23 C ATOM 659 NE ARG A 42 20.026 -6.830 -7.850 1.00 5.41 N ATOM 660 CZ ARG A 42 20.996 -6.258 -8.555 1.00 63.44 C ATOM 661 NH1 ARG A 42 20.968 -4.954 -8.793 1.00 73.45 N ATOM 662 NH2 ARG A 42 21.998 -6.992 -9.024 1.00 12.01 N ATOM 0 H ARG A 42 15.683 -5.179 -3.537 1.00 35.31 H new ATOM 0 HA ARG A 42 17.870 -4.682 -5.383 1.00 10.22 H new ATOM 0 HB2 ARG A 42 16.021 -6.999 -5.612 1.00 60.42 H new ATOM 0 HB3 ARG A 42 16.165 -6.023 -7.060 1.00 60.42 H new ATOM 0 HG2 ARG A 42 18.487 -7.287 -5.556 1.00 54.45 H new ATOM 0 HG3 ARG A 42 17.772 -7.911 -7.029 1.00 54.45 H new ATOM 0 HD2 ARG A 42 18.319 -5.648 -8.110 1.00 73.23 H new ATOM 0 HD3 ARG A 42 19.254 -5.280 -6.675 1.00 73.23 H new ATOM 0 HE ARG A 42 20.078 -7.835 -7.685 1.00 5.41 H new ATOM 0 HH11 ARG A 42 20.200 -4.387 -8.434 1.00 73.45 H new ATOM 0 HH12 ARG A 42 21.714 -4.518 -9.335 1.00 73.45 H new ATOM 0 HH21 ARG A 42 22.023 -7.996 -8.843 1.00 12.01 H new ATOM 0 HH22 ARG A 42 22.742 -6.552 -9.565 1.00 12.01 H new ATOM 676 N ASP A 43 16.255 -3.280 -6.825 1.00 41.50 N ATOM 677 CA ASP A 43 15.428 -2.211 -7.374 1.00 61.22 C ATOM 678 C ASP A 43 15.096 -2.479 -8.839 1.00 24.11 C ATOM 679 O ASP A 43 15.959 -2.373 -9.711 1.00 51.21 O ATOM 680 CB ASP A 43 16.140 -0.865 -7.238 1.00 3.43 C ATOM 681 CG ASP A 43 15.197 0.251 -6.831 1.00 61.50 C ATOM 682 OD1 ASP A 43 14.647 0.183 -5.712 1.00 41.31 O ATOM 683 OD2 ASP A 43 15.008 1.190 -7.632 1.00 43.11 O ATOM 0 H ASP A 43 17.117 -3.454 -7.341 1.00 41.50 H new ATOM 0 HA ASP A 43 14.497 -2.179 -6.809 1.00 61.22 H new ATOM 0 HB2 ASP A 43 16.936 -0.952 -6.499 1.00 3.43 H new ATOM 0 HB3 ASP A 43 16.612 -0.610 -8.187 1.00 3.43 H new ATOM 688 N PHE A 44 13.841 -2.828 -9.102 1.00 24.22 N ATOM 689 CA PHE A 44 13.396 -3.114 -10.461 1.00 11.33 C ATOM 690 C PHE A 44 12.670 -1.912 -11.059 1.00 22.12 C ATOM 691 O PHE A 44 12.539 -0.870 -10.417 1.00 4.30 O ATOM 692 CB PHE A 44 12.477 -4.337 -10.472 1.00 55.33 C ATOM 693 CG PHE A 44 13.217 -5.643 -10.512 1.00 50.13 C ATOM 694 CD1 PHE A 44 14.219 -5.915 -9.594 1.00 54.13 C ATOM 695 CD2 PHE A 44 12.911 -6.599 -11.467 1.00 41.13 C ATOM 696 CE1 PHE A 44 14.902 -7.116 -9.630 1.00 10.35 C ATOM 697 CE2 PHE A 44 13.591 -7.802 -11.507 1.00 52.21 C ATOM 698 CZ PHE A 44 14.587 -8.061 -10.586 1.00 51.22 C ATOM 0 H PHE A 44 13.114 -2.920 -8.392 1.00 24.22 H new ATOM 0 HA PHE A 44 14.276 -3.324 -11.069 1.00 11.33 H new ATOM 0 HB2 PHE A 44 11.845 -4.314 -9.585 1.00 55.33 H new ATOM 0 HB3 PHE A 44 11.816 -4.277 -11.336 1.00 55.33 H new ATOM 0 HD1 PHE A 44 14.469 -5.181 -8.842 1.00 54.13 H new ATOM 0 HD2 PHE A 44 12.132 -6.402 -12.189 1.00 41.13 H new ATOM 0 HE1 PHE A 44 15.682 -7.315 -8.910 1.00 10.35 H new ATOM 0 HE2 PHE A 44 13.344 -8.538 -12.257 1.00 52.21 H new ATOM 0 HZ PHE A 44 15.118 -9.001 -10.614 1.00 51.22 H new ATOM 708 N ASP A 45 12.201 -2.066 -12.292 1.00 11.10 N ATOM 709 CA ASP A 45 11.488 -0.995 -12.978 1.00 13.41 C ATOM 710 C ASP A 45 10.217 -1.522 -13.636 1.00 71.53 C ATOM 711 O ASP A 45 9.154 -0.909 -13.539 1.00 4.42 O ATOM 712 CB ASP A 45 12.389 -0.344 -14.029 1.00 30.24 C ATOM 713 CG ASP A 45 11.853 0.992 -14.504 1.00 72.33 C ATOM 714 OD1 ASP A 45 10.726 1.354 -14.106 1.00 61.14 O ATOM 715 OD2 ASP A 45 12.560 1.675 -15.275 1.00 74.42 O ATOM 0 H ASP A 45 12.302 -2.922 -12.837 1.00 11.10 H new ATOM 0 HA ASP A 45 11.208 -0.246 -12.237 1.00 13.41 H new ATOM 0 HB2 ASP A 45 13.386 -0.204 -13.612 1.00 30.24 H new ATOM 0 HB3 ASP A 45 12.491 -1.015 -14.882 1.00 30.24 H new ATOM 720 N SER A 46 10.334 -2.664 -14.308 1.00 3.34 N ATOM 721 CA SER A 46 9.196 -3.272 -14.987 1.00 1.24 C ATOM 722 C SER A 46 8.767 -4.556 -14.284 1.00 30.13 C ATOM 723 O SER A 46 9.588 -5.262 -13.697 1.00 43.21 O ATOM 724 CB SER A 46 9.545 -3.568 -16.446 1.00 71.04 C ATOM 725 OG SER A 46 9.559 -2.380 -17.219 1.00 3.14 O ATOM 0 H SER A 46 11.206 -3.186 -14.396 1.00 3.34 H new ATOM 0 HA SER A 46 8.366 -2.566 -14.956 1.00 1.24 H new ATOM 0 HB2 SER A 46 10.521 -4.051 -16.499 1.00 71.04 H new ATOM 0 HB3 SER A 46 8.820 -4.267 -16.862 1.00 71.04 H new ATOM 0 HG SER A 46 9.786 -2.596 -18.147 1.00 3.14 H new ATOM 731 N THR A 47 7.473 -4.854 -14.347 1.00 12.10 N ATOM 732 CA THR A 47 6.932 -6.052 -13.716 1.00 45.45 C ATOM 733 C THR A 47 7.341 -7.307 -14.479 1.00 42.42 C ATOM 734 O THR A 47 7.587 -8.354 -13.882 1.00 11.11 O ATOM 735 CB THR A 47 5.396 -5.996 -13.629 1.00 14.32 C ATOM 736 OG1 THR A 47 4.983 -4.760 -13.035 1.00 5.24 O ATOM 737 CG2 THR A 47 4.857 -7.161 -12.812 1.00 64.14 C ATOM 0 H THR A 47 6.780 -4.282 -14.829 1.00 12.10 H new ATOM 0 HA THR A 47 7.344 -6.092 -12.708 1.00 45.45 H new ATOM 0 HB THR A 47 4.995 -6.065 -14.640 1.00 14.32 H new ATOM 0 HG1 THR A 47 4.005 -4.732 -12.985 1.00 5.24 H new ATOM 0 HG21 THR A 47 3.770 -7.100 -12.765 1.00 64.14 H new ATOM 0 HG22 THR A 47 5.148 -8.100 -13.282 1.00 64.14 H new ATOM 0 HG23 THR A 47 5.267 -7.118 -11.803 1.00 64.14 H new ATOM 745 N GLU A 48 7.413 -7.193 -15.802 1.00 14.12 N ATOM 746 CA GLU A 48 7.792 -8.320 -16.645 1.00 60.14 C ATOM 747 C GLU A 48 9.097 -8.946 -16.162 1.00 32.50 C ATOM 748 O GLU A 48 9.173 -10.155 -15.944 1.00 32.30 O ATOM 749 CB GLU A 48 7.938 -7.870 -18.101 1.00 32.44 C ATOM 750 CG GLU A 48 7.555 -8.940 -19.110 1.00 23.14 C ATOM 751 CD GLU A 48 6.076 -8.927 -19.441 1.00 35.55 C ATOM 752 OE1 GLU A 48 5.616 -7.947 -20.062 1.00 14.51 O ATOM 753 OE2 GLU A 48 5.378 -9.897 -19.078 1.00 73.53 O ATOM 0 H GLU A 48 7.214 -6.332 -16.312 1.00 14.12 H new ATOM 0 HA GLU A 48 7.004 -9.070 -16.581 1.00 60.14 H new ATOM 0 HB2 GLU A 48 7.317 -6.989 -18.264 1.00 32.44 H new ATOM 0 HB3 GLU A 48 8.971 -7.569 -18.278 1.00 32.44 H new ATOM 0 HG2 GLU A 48 8.129 -8.794 -20.025 1.00 23.14 H new ATOM 0 HG3 GLU A 48 7.827 -9.919 -18.716 1.00 23.14 H new ATOM 760 N GLN A 49 10.120 -8.115 -15.998 1.00 4.33 N ATOM 761 CA GLN A 49 11.422 -8.587 -15.542 1.00 23.14 C ATOM 762 C GLN A 49 11.352 -9.062 -14.094 1.00 64.41 C ATOM 763 O GLN A 49 12.145 -9.903 -13.666 1.00 43.54 O ATOM 764 CB GLN A 49 12.467 -7.478 -15.677 1.00 12.33 C ATOM 765 CG GLN A 49 12.045 -6.164 -15.038 1.00 63.13 C ATOM 766 CD GLN A 49 13.218 -5.241 -14.774 1.00 41.43 C ATOM 767 OE1 GLN A 49 13.137 -4.019 -15.288 1.00 13.00 O flip ATOM 768 NE2 GLN A 49 14.187 -5.621 -14.116 1.00 42.20 N flip ATOM 0 H GLN A 49 10.073 -7.111 -16.174 1.00 4.33 H new ATOM 0 HA GLN A 49 11.714 -9.430 -16.169 1.00 23.14 H new ATOM 0 HB2 GLN A 49 13.399 -7.811 -15.221 1.00 12.33 H new ATOM 0 HB3 GLN A 49 12.671 -7.309 -16.734 1.00 12.33 H new ATOM 0 HG2 GLN A 49 11.331 -5.660 -15.689 1.00 63.13 H new ATOM 0 HG3 GLN A 49 11.531 -6.369 -14.099 1.00 63.13 H new ATOM 0 HE21 GLN A 49 14.208 -6.569 -13.740 1.00 42.20 H new ATOM 0 HE22 GLN A 49 14.969 -4.988 -13.947 1.00 42.20 H new ATOM 777 N LEU A 50 10.400 -8.520 -13.344 1.00 13.10 N ATOM 778 CA LEU A 50 10.226 -8.888 -11.943 1.00 61.31 C ATOM 779 C LEU A 50 9.939 -10.380 -11.804 1.00 0.11 C ATOM 780 O LEU A 50 10.717 -11.117 -11.199 1.00 15.13 O ATOM 781 CB LEU A 50 9.088 -8.078 -11.319 1.00 45.14 C ATOM 782 CG LEU A 50 9.052 -8.038 -9.791 1.00 44.43 C ATOM 783 CD1 LEU A 50 10.274 -7.314 -9.247 1.00 43.35 C ATOM 784 CD2 LEU A 50 7.774 -7.370 -9.305 1.00 43.24 C ATOM 0 H LEU A 50 9.736 -7.824 -13.682 1.00 13.10 H new ATOM 0 HA LEU A 50 11.154 -8.664 -11.416 1.00 61.31 H new ATOM 0 HB2 LEU A 50 9.153 -7.054 -11.688 1.00 45.14 H new ATOM 0 HB3 LEU A 50 8.142 -8.486 -11.674 1.00 45.14 H new ATOM 0 HG LEU A 50 9.067 -9.063 -9.419 1.00 44.43 H new ATOM 0 HD11 LEU A 50 10.231 -7.295 -8.158 1.00 43.35 H new ATOM 0 HD12 LEU A 50 11.177 -7.834 -9.566 1.00 43.35 H new ATOM 0 HD13 LEU A 50 10.291 -6.292 -9.627 1.00 43.35 H new ATOM 0 HD21 LEU A 50 7.765 -7.350 -8.215 1.00 43.24 H new ATOM 0 HD22 LEU A 50 7.729 -6.350 -9.687 1.00 43.24 H new ATOM 0 HD23 LEU A 50 6.911 -7.931 -9.665 1.00 43.24 H new ATOM 796 N GLU A 51 8.819 -10.817 -12.370 1.00 75.11 N ATOM 797 CA GLU A 51 8.430 -12.221 -12.310 1.00 24.33 C ATOM 798 C GLU A 51 9.344 -13.076 -13.183 1.00 72.34 C ATOM 799 O GLU A 51 9.579 -14.249 -12.892 1.00 44.14 O ATOM 800 CB GLU A 51 6.976 -12.391 -12.754 1.00 61.11 C ATOM 801 CG GLU A 51 6.665 -11.728 -14.085 1.00 62.25 C ATOM 802 CD GLU A 51 5.569 -12.443 -14.851 1.00 14.00 C ATOM 803 OE1 GLU A 51 4.546 -12.798 -14.228 1.00 71.12 O ATOM 804 OE2 GLU A 51 5.733 -12.647 -16.072 1.00 32.42 O ATOM 0 H GLU A 51 8.165 -10.219 -12.875 1.00 75.11 H new ATOM 0 HA GLU A 51 8.527 -12.554 -11.277 1.00 24.33 H new ATOM 0 HB2 GLU A 51 6.749 -13.455 -12.826 1.00 61.11 H new ATOM 0 HB3 GLU A 51 6.320 -11.976 -11.989 1.00 61.11 H new ATOM 0 HG2 GLU A 51 6.366 -10.694 -13.911 1.00 62.25 H new ATOM 0 HG3 GLU A 51 7.569 -11.700 -14.693 1.00 62.25 H new ATOM 811 N SER A 52 9.855 -12.480 -14.256 1.00 74.20 N ATOM 812 CA SER A 52 10.739 -13.187 -15.175 1.00 75.33 C ATOM 813 C SER A 52 12.015 -13.633 -14.467 1.00 54.35 C ATOM 814 O SER A 52 12.623 -14.638 -14.835 1.00 53.23 O ATOM 815 CB SER A 52 11.088 -12.295 -16.368 1.00 2.02 C ATOM 816 OG SER A 52 11.932 -12.973 -17.282 1.00 62.21 O ATOM 0 H SER A 52 9.672 -11.509 -14.510 1.00 74.20 H new ATOM 0 HA SER A 52 10.216 -14.073 -15.534 1.00 75.33 H new ATOM 0 HB2 SER A 52 10.174 -11.985 -16.874 1.00 2.02 H new ATOM 0 HB3 SER A 52 11.581 -11.389 -16.016 1.00 2.02 H new ATOM 0 HG SER A 52 12.139 -12.382 -18.036 1.00 62.21 H new ATOM 822 N TRP A 53 12.414 -12.877 -13.451 1.00 34.43 N ATOM 823 CA TRP A 53 13.618 -13.193 -12.690 1.00 75.44 C ATOM 824 C TRP A 53 13.409 -14.437 -11.833 1.00 11.44 C ATOM 825 O TRP A 53 14.186 -15.389 -11.904 1.00 31.05 O ATOM 826 CB TRP A 53 14.013 -12.009 -11.807 1.00 31.34 C ATOM 827 CG TRP A 53 14.716 -12.417 -10.547 1.00 44.35 C ATOM 828 CD1 TRP A 53 14.370 -12.081 -9.270 1.00 31.43 C ATOM 829 CD2 TRP A 53 15.888 -13.234 -10.446 1.00 54.03 C ATOM 830 NE1 TRP A 53 15.255 -12.641 -8.380 1.00 62.03 N ATOM 831 CE2 TRP A 53 16.195 -13.354 -9.077 1.00 1.42 C ATOM 832 CE3 TRP A 53 16.705 -13.878 -11.379 1.00 22.13 C ATOM 833 CZ2 TRP A 53 17.285 -14.090 -8.620 1.00 43.35 C ATOM 834 CZ3 TRP A 53 17.787 -14.608 -10.924 1.00 50.13 C ATOM 835 CH2 TRP A 53 18.069 -14.710 -9.555 1.00 51.35 C ATOM 0 H TRP A 53 11.922 -12.041 -13.135 1.00 34.43 H new ATOM 0 HA TRP A 53 14.423 -13.393 -13.397 1.00 75.44 H new ATOM 0 HB2 TRP A 53 14.660 -11.341 -12.375 1.00 31.34 H new ATOM 0 HB3 TRP A 53 13.118 -11.443 -11.548 1.00 31.34 H new ATOM 0 HD1 TRP A 53 13.525 -11.466 -8.999 1.00 31.43 H new ATOM 0 HE1 TRP A 53 15.218 -12.542 -7.365 1.00 62.03 H new ATOM 0 HE3 TRP A 53 16.495 -13.807 -12.436 1.00 22.13 H new ATOM 0 HZ2 TRP A 53 17.504 -14.169 -7.565 1.00 43.35 H new ATOM 0 HZ3 TRP A 53 18.426 -15.109 -11.636 1.00 50.13 H new ATOM 0 HH2 TRP A 53 18.921 -15.289 -9.232 1.00 51.35 H new ATOM 846 N PHE A 54 12.356 -14.421 -11.023 1.00 34.44 N ATOM 847 CA PHE A 54 12.046 -15.548 -10.150 1.00 73.23 C ATOM 848 C PHE A 54 11.487 -16.720 -10.953 1.00 1.33 C ATOM 849 O PHE A 54 11.279 -17.809 -10.418 1.00 71.23 O ATOM 850 CB PHE A 54 11.042 -15.127 -9.075 1.00 71.10 C ATOM 851 CG PHE A 54 10.734 -16.213 -8.084 1.00 73.24 C ATOM 852 CD1 PHE A 54 11.666 -16.582 -7.128 1.00 42.12 C ATOM 853 CD2 PHE A 54 9.511 -16.865 -8.109 1.00 23.01 C ATOM 854 CE1 PHE A 54 11.385 -17.582 -6.216 1.00 43.41 C ATOM 855 CE2 PHE A 54 9.225 -17.865 -7.199 1.00 75.20 C ATOM 856 CZ PHE A 54 10.163 -18.223 -6.251 1.00 34.13 C ATOM 0 H PHE A 54 11.703 -13.641 -10.953 1.00 34.44 H new ATOM 0 HA PHE A 54 12.970 -15.868 -9.669 1.00 73.23 H new ATOM 0 HB2 PHE A 54 11.434 -14.261 -8.542 1.00 71.10 H new ATOM 0 HB3 PHE A 54 10.116 -14.813 -9.557 1.00 71.10 H new ATOM 0 HD1 PHE A 54 12.623 -16.083 -7.095 1.00 42.12 H new ATOM 0 HD2 PHE A 54 8.773 -16.588 -8.848 1.00 23.01 H new ATOM 0 HE1 PHE A 54 12.121 -17.862 -5.477 1.00 43.41 H new ATOM 0 HE2 PHE A 54 8.269 -18.366 -7.229 1.00 75.20 H new ATOM 0 HZ PHE A 54 9.941 -19.003 -5.538 1.00 34.13 H new ATOM 866 N TYR A 55 11.246 -16.487 -12.238 1.00 42.10 N ATOM 867 CA TYR A 55 10.709 -17.521 -13.114 1.00 51.14 C ATOM 868 C TYR A 55 11.802 -18.100 -14.007 1.00 71.52 C ATOM 869 O TYR A 55 11.703 -19.235 -14.473 1.00 13.13 O ATOM 870 CB TYR A 55 9.579 -16.953 -13.975 1.00 45.14 C ATOM 871 CG TYR A 55 9.144 -17.877 -15.090 1.00 30.42 C ATOM 872 CD1 TYR A 55 9.791 -17.868 -16.319 1.00 42.04 C ATOM 873 CD2 TYR A 55 8.085 -18.759 -14.914 1.00 21.42 C ATOM 874 CE1 TYR A 55 9.396 -18.710 -17.341 1.00 24.32 C ATOM 875 CE2 TYR A 55 7.684 -19.606 -15.929 1.00 25.20 C ATOM 876 CZ TYR A 55 8.343 -19.578 -17.141 1.00 0.24 C ATOM 877 OH TYR A 55 7.946 -20.419 -18.155 1.00 1.22 O ATOM 0 H TYR A 55 11.414 -15.591 -12.696 1.00 42.10 H new ATOM 0 HA TYR A 55 10.314 -18.322 -12.489 1.00 51.14 H new ATOM 0 HB2 TYR A 55 8.721 -16.737 -13.338 1.00 45.14 H new ATOM 0 HB3 TYR A 55 9.903 -16.005 -14.405 1.00 45.14 H new ATOM 0 HD1 TYR A 55 10.617 -17.191 -16.479 1.00 42.04 H new ATOM 0 HD2 TYR A 55 7.566 -18.783 -13.967 1.00 21.42 H new ATOM 0 HE1 TYR A 55 9.909 -18.689 -18.291 1.00 24.32 H new ATOM 0 HE2 TYR A 55 6.859 -20.286 -15.775 1.00 25.20 H new ATOM 0 HH TYR A 55 7.192 -20.966 -17.850 1.00 1.22 H new ATOM 887 N GLY A 56 12.846 -17.311 -14.241 1.00 63.42 N ATOM 888 CA GLY A 56 13.944 -17.762 -15.077 1.00 21.04 C ATOM 889 C GLY A 56 14.772 -18.844 -14.412 1.00 71.12 C ATOM 890 O GLY A 56 15.291 -19.739 -15.082 1.00 13.53 O ATOM 0 H GLY A 56 12.951 -16.368 -13.867 1.00 63.42 H new ATOM 0 HA2 GLY A 56 13.548 -18.140 -16.020 1.00 21.04 H new ATOM 0 HA3 GLY A 56 14.585 -16.914 -15.318 1.00 21.04 H new ATOM 894 N LEU A 57 14.898 -18.764 -13.092 1.00 41.53 N ATOM 895 CA LEU A 57 15.671 -19.743 -12.336 1.00 72.24 C ATOM 896 C LEU A 57 15.234 -21.164 -12.680 1.00 41.30 C ATOM 897 O LEU A 57 14.100 -21.408 -13.092 1.00 32.34 O ATOM 898 CB LEU A 57 15.512 -19.498 -10.835 1.00 5.02 C ATOM 899 CG LEU A 57 16.004 -18.144 -10.320 1.00 74.43 C ATOM 900 CD1 LEU A 57 15.509 -17.901 -8.903 1.00 5.12 C ATOM 901 CD2 LEU A 57 17.522 -18.071 -10.378 1.00 25.24 C ATOM 0 H LEU A 57 14.475 -18.031 -12.523 1.00 41.53 H new ATOM 0 HA LEU A 57 16.721 -19.629 -12.607 1.00 72.24 H new ATOM 0 HB2 LEU A 57 14.457 -19.600 -10.580 1.00 5.02 H new ATOM 0 HB3 LEU A 57 16.046 -20.283 -10.300 1.00 5.02 H new ATOM 0 HG LEU A 57 15.599 -17.363 -10.963 1.00 74.43 H new ATOM 0 HD11 LEU A 57 15.869 -16.933 -8.553 1.00 5.12 H new ATOM 0 HD12 LEU A 57 14.419 -17.909 -8.892 1.00 5.12 H new ATOM 0 HD13 LEU A 57 15.884 -18.686 -8.247 1.00 5.12 H new ATOM 0 HD21 LEU A 57 17.854 -17.101 -10.008 1.00 25.24 H new ATOM 0 HD22 LEU A 57 17.948 -18.861 -9.759 1.00 25.24 H new ATOM 0 HD23 LEU A 57 17.853 -18.199 -11.409 1.00 25.24 H new ATOM 913 N PRO A 58 16.154 -22.124 -12.506 1.00 31.21 N ATOM 914 CA PRO A 58 15.886 -23.537 -12.789 1.00 61.41 C ATOM 915 C PRO A 58 14.911 -24.154 -11.792 1.00 2.23 C ATOM 916 O PRO A 58 14.032 -24.929 -12.166 1.00 23.00 O ATOM 917 CB PRO A 58 17.264 -24.192 -12.664 1.00 2.42 C ATOM 918 CG PRO A 58 18.027 -23.297 -11.749 1.00 14.14 C ATOM 919 CD PRO A 58 17.526 -21.905 -12.019 1.00 1.24 C ATOM 0 HA PRO A 58 15.420 -23.675 -13.765 1.00 61.41 H new ATOM 0 HB2 PRO A 58 17.188 -25.201 -12.258 1.00 2.42 H new ATOM 0 HB3 PRO A 58 17.752 -24.275 -13.635 1.00 2.42 H new ATOM 0 HG2 PRO A 58 17.866 -23.575 -10.707 1.00 14.14 H new ATOM 0 HG3 PRO A 58 19.098 -23.369 -11.936 1.00 14.14 H new ATOM 0 HD2 PRO A 58 17.539 -21.291 -11.118 1.00 1.24 H new ATOM 0 HD3 PRO A 58 18.139 -21.394 -12.762 1.00 1.24 H new ATOM 927 N GLY A 59 15.073 -23.803 -10.519 1.00 74.42 N ATOM 928 CA GLY A 59 14.199 -24.332 -9.488 1.00 11.52 C ATOM 929 C GLY A 59 12.750 -23.937 -9.697 1.00 63.53 C ATOM 930 O GLY A 59 12.369 -23.505 -10.785 1.00 34.13 O ATOM 0 H GLY A 59 15.793 -23.163 -10.184 1.00 74.42 H new ATOM 0 HA2 GLY A 59 14.277 -25.419 -9.472 1.00 11.52 H new ATOM 0 HA3 GLY A 59 14.533 -23.974 -8.514 1.00 11.52 H new ATOM 934 N SER A 60 11.941 -24.088 -8.654 1.00 32.31 N ATOM 935 CA SER A 60 10.524 -23.750 -8.730 1.00 64.22 C ATOM 936 C SER A 60 10.108 -22.882 -7.546 1.00 65.42 C ATOM 937 O SER A 60 9.689 -21.739 -7.717 1.00 51.34 O ATOM 938 CB SER A 60 9.676 -25.023 -8.767 1.00 52.44 C ATOM 939 OG SER A 60 10.191 -26.005 -7.886 1.00 31.15 O ATOM 0 H SER A 60 12.242 -24.442 -7.746 1.00 32.31 H new ATOM 0 HA SER A 60 10.359 -23.185 -9.648 1.00 64.22 H new ATOM 0 HB2 SER A 60 8.648 -24.787 -8.492 1.00 52.44 H new ATOM 0 HB3 SER A 60 9.652 -25.418 -9.783 1.00 52.44 H new ATOM 0 HG SER A 60 9.630 -26.808 -7.927 1.00 31.15 H new ATOM 945 N GLY A 61 10.228 -23.436 -6.343 1.00 64.43 N ATOM 946 CA GLY A 61 9.861 -22.700 -5.148 1.00 22.43 C ATOM 947 C GLY A 61 10.854 -22.896 -4.019 1.00 35.13 C ATOM 948 O GLY A 61 11.788 -22.109 -3.860 1.00 30.40 O ATOM 0 H GLY A 61 10.573 -24.381 -6.175 1.00 64.43 H new ATOM 0 HA2 GLY A 61 9.791 -21.639 -5.386 1.00 22.43 H new ATOM 0 HA3 GLY A 61 8.872 -23.019 -4.818 1.00 22.43 H new ATOM 952 N LEU A 62 10.651 -23.946 -3.231 1.00 21.41 N ATOM 953 CA LEU A 62 11.535 -24.243 -2.109 1.00 11.33 C ATOM 954 C LEU A 62 12.996 -24.228 -2.547 1.00 53.24 C ATOM 955 O LEU A 62 13.885 -23.886 -1.769 1.00 12.11 O ATOM 956 CB LEU A 62 11.186 -25.604 -1.505 1.00 12.03 C ATOM 957 CG LEU A 62 11.111 -25.662 0.021 1.00 13.35 C ATOM 958 CD1 LEU A 62 9.677 -25.476 0.493 1.00 73.03 C ATOM 959 CD2 LEU A 62 11.676 -26.978 0.534 1.00 61.32 C ATOM 0 H LEU A 62 9.882 -24.606 -3.348 1.00 21.41 H new ATOM 0 HA LEU A 62 11.394 -23.470 -1.354 1.00 11.33 H new ATOM 0 HB2 LEU A 62 10.225 -25.922 -1.908 1.00 12.03 H new ATOM 0 HB3 LEU A 62 11.928 -26.329 -1.840 1.00 12.03 H new ATOM 0 HG LEU A 62 11.714 -24.849 0.425 1.00 13.35 H new ATOM 0 HD11 LEU A 62 9.644 -25.520 1.582 1.00 73.03 H new ATOM 0 HD12 LEU A 62 9.306 -24.507 0.158 1.00 73.03 H new ATOM 0 HD13 LEU A 62 9.052 -26.267 0.078 1.00 73.03 H new ATOM 0 HD21 LEU A 62 11.614 -27.001 1.622 1.00 61.32 H new ATOM 0 HD22 LEU A 62 11.101 -27.807 0.120 1.00 61.32 H new ATOM 0 HD23 LEU A 62 12.718 -27.071 0.228 1.00 61.32 H new ATOM 971 N GLY A 63 13.236 -24.599 -3.801 1.00 73.44 N ATOM 972 CA GLY A 63 14.590 -24.620 -4.323 1.00 11.32 C ATOM 973 C GLY A 63 15.038 -23.262 -4.827 1.00 35.12 C ATOM 974 O GLY A 63 16.225 -22.938 -4.786 1.00 55.12 O ATOM 0 H GLY A 63 12.517 -24.885 -4.465 1.00 73.44 H new ATOM 0 HA2 GLY A 63 15.272 -24.958 -3.542 1.00 11.32 H new ATOM 0 HA3 GLY A 63 14.652 -25.344 -5.135 1.00 11.32 H new ATOM 978 N ARG A 64 14.086 -22.467 -5.305 1.00 10.24 N ATOM 979 CA ARG A 64 14.389 -21.138 -5.822 1.00 2.24 C ATOM 980 C ARG A 64 14.645 -20.156 -4.682 1.00 33.35 C ATOM 981 O ARG A 64 15.119 -19.042 -4.904 1.00 10.24 O ATOM 982 CB ARG A 64 13.240 -20.633 -6.696 1.00 12.23 C ATOM 983 CG ARG A 64 13.443 -20.893 -8.179 1.00 43.24 C ATOM 984 CD ARG A 64 12.342 -20.256 -9.013 1.00 5.53 C ATOM 985 NE ARG A 64 12.277 -20.822 -10.357 1.00 54.44 N ATOM 986 CZ ARG A 64 11.176 -20.824 -11.101 1.00 34.14 C ATOM 987 NH1 ARG A 64 10.055 -20.293 -10.632 1.00 54.14 N ATOM 988 NH2 ARG A 64 11.195 -21.358 -12.315 1.00 73.21 N ATOM 0 H ARG A 64 13.099 -22.720 -5.345 1.00 10.24 H new ATOM 0 HA ARG A 64 15.293 -21.209 -6.427 1.00 2.24 H new ATOM 0 HB2 ARG A 64 12.314 -21.111 -6.376 1.00 12.23 H new ATOM 0 HB3 ARG A 64 13.118 -19.562 -6.537 1.00 12.23 H new ATOM 0 HG2 ARG A 64 14.410 -20.498 -8.489 1.00 43.24 H new ATOM 0 HG3 ARG A 64 13.464 -21.967 -8.362 1.00 43.24 H new ATOM 0 HD2 ARG A 64 11.383 -20.395 -8.514 1.00 5.53 H new ATOM 0 HD3 ARG A 64 12.513 -19.182 -9.080 1.00 5.53 H new ATOM 0 HE ARG A 64 13.123 -21.239 -10.746 1.00 54.44 H new ATOM 0 HH11 ARG A 64 10.037 -19.882 -9.699 1.00 54.14 H new ATOM 0 HH12 ARG A 64 9.211 -20.295 -11.205 1.00 54.14 H new ATOM 0 HH21 ARG A 64 12.055 -21.768 -12.678 1.00 73.21 H new ATOM 0 HH22 ARG A 64 10.349 -21.359 -12.885 1.00 73.21 H new ATOM 1002 N ILE A 65 14.327 -20.578 -3.462 1.00 54.13 N ATOM 1003 CA ILE A 65 14.522 -19.736 -2.288 1.00 63.53 C ATOM 1004 C ILE A 65 16.004 -19.592 -1.956 1.00 75.20 C ATOM 1005 O ILE A 65 16.432 -18.571 -1.419 1.00 62.33 O ATOM 1006 CB ILE A 65 13.785 -20.303 -1.060 1.00 41.15 C ATOM 1007 CG1 ILE A 65 12.325 -20.601 -1.408 1.00 10.24 C ATOM 1008 CG2 ILE A 65 13.870 -19.328 0.105 1.00 70.24 C ATOM 1009 CD1 ILE A 65 11.362 -20.301 -0.280 1.00 4.40 C ATOM 0 H ILE A 65 13.933 -21.497 -3.261 1.00 54.13 H new ATOM 0 HA ILE A 65 14.109 -18.757 -2.529 1.00 63.53 H new ATOM 0 HB ILE A 65 14.266 -21.235 -0.763 1.00 41.15 H new ATOM 0 HG12 ILE A 65 12.041 -20.015 -2.283 1.00 10.24 H new ATOM 0 HG13 ILE A 65 12.233 -21.651 -1.684 1.00 10.24 H new ATOM 0 HG21 ILE A 65 13.345 -19.742 0.965 1.00 70.24 H new ATOM 0 HG22 ILE A 65 14.915 -19.161 0.364 1.00 70.24 H new ATOM 0 HG23 ILE A 65 13.411 -18.381 -0.179 1.00 70.24 H new ATOM 0 HD11 ILE A 65 10.346 -20.536 -0.597 1.00 4.40 H new ATOM 0 HD12 ILE A 65 11.620 -20.906 0.589 1.00 4.40 H new ATOM 0 HD13 ILE A 65 11.426 -19.245 -0.019 1.00 4.40 H new ATOM 1021 N GLU A 66 16.780 -20.621 -2.281 1.00 23.03 N ATOM 1022 CA GLU A 66 18.214 -20.608 -2.017 1.00 44.42 C ATOM 1023 C GLU A 66 18.977 -19.999 -3.190 1.00 64.24 C ATOM 1024 O GLU A 66 20.074 -19.468 -3.022 1.00 63.14 O ATOM 1025 CB GLU A 66 18.719 -22.027 -1.747 1.00 41.42 C ATOM 1026 CG GLU A 66 18.834 -22.880 -2.999 1.00 33.31 C ATOM 1027 CD GLU A 66 18.380 -24.310 -2.774 1.00 4.34 C ATOM 1028 OE1 GLU A 66 17.289 -24.503 -2.199 1.00 72.12 O ATOM 1029 OE2 GLU A 66 19.118 -25.235 -3.172 1.00 63.24 O ATOM 0 H GLU A 66 16.440 -21.473 -2.727 1.00 23.03 H new ATOM 0 HA GLU A 66 18.389 -19.994 -1.133 1.00 44.42 H new ATOM 0 HB2 GLU A 66 19.695 -21.971 -1.265 1.00 41.42 H new ATOM 0 HB3 GLU A 66 18.044 -22.516 -1.045 1.00 41.42 H new ATOM 0 HG2 GLU A 66 18.237 -22.434 -3.794 1.00 33.31 H new ATOM 0 HG3 GLU A 66 19.869 -22.881 -3.340 1.00 33.31 H new ATOM 1036 N ASN A 67 18.388 -20.082 -4.379 1.00 0.03 N ATOM 1037 CA ASN A 67 19.012 -19.541 -5.581 1.00 0.02 C ATOM 1038 C ASN A 67 18.655 -18.069 -5.763 1.00 42.15 C ATOM 1039 O ASN A 67 19.535 -17.214 -5.858 1.00 50.34 O ATOM 1040 CB ASN A 67 18.576 -20.340 -6.811 1.00 14.53 C ATOM 1041 CG ASN A 67 19.250 -21.696 -6.889 1.00 11.43 C ATOM 1042 OD1 ASN A 67 20.474 -21.799 -6.801 1.00 15.21 O ATOM 1043 ND2 ASN A 67 18.452 -22.744 -7.055 1.00 21.22 N ATOM 0 H ASN A 67 17.480 -20.519 -4.536 1.00 0.03 H new ATOM 0 HA ASN A 67 20.093 -19.623 -5.468 1.00 0.02 H new ATOM 0 HB2 ASN A 67 17.495 -20.476 -6.788 1.00 14.53 H new ATOM 0 HB3 ASN A 67 18.807 -19.770 -7.711 1.00 14.53 H new ATOM 0 HD21 ASN A 67 18.848 -23.682 -7.115 1.00 21.22 H new ATOM 0 HD22 ASN A 67 17.443 -22.611 -7.123 1.00 21.22 H new ATOM 1050 N ALA A 68 17.359 -17.782 -5.811 1.00 55.51 N ATOM 1051 CA ALA A 68 16.885 -16.413 -5.980 1.00 20.34 C ATOM 1052 C ALA A 68 17.442 -15.502 -4.891 1.00 42.35 C ATOM 1053 O ALA A 68 18.106 -14.507 -5.182 1.00 54.30 O ATOM 1054 CB ALA A 68 15.364 -16.377 -5.974 1.00 10.33 C ATOM 0 H ALA A 68 16.618 -18.479 -5.735 1.00 55.51 H new ATOM 0 HA ALA A 68 17.242 -16.046 -6.942 1.00 20.34 H new ATOM 0 HB1 ALA A 68 15.024 -15.349 -6.101 1.00 10.33 H new ATOM 0 HB2 ALA A 68 14.982 -16.989 -6.791 1.00 10.33 H new ATOM 0 HB3 ALA A 68 14.995 -16.767 -5.026 1.00 10.33 H new ATOM 1060 N MET A 69 17.168 -15.848 -3.638 1.00 55.31 N ATOM 1061 CA MET A 69 17.642 -15.060 -2.507 1.00 4.24 C ATOM 1062 C MET A 69 19.148 -14.829 -2.598 1.00 74.50 C ATOM 1063 O MET A 69 19.626 -13.711 -2.414 1.00 72.05 O ATOM 1064 CB MET A 69 17.301 -15.761 -1.190 1.00 40.23 C ATOM 1065 CG MET A 69 17.790 -15.014 0.040 1.00 20.53 C ATOM 1066 SD MET A 69 18.529 -16.109 1.268 1.00 1.32 S ATOM 1067 CE MET A 69 17.097 -17.051 1.788 1.00 41.23 C ATOM 0 H MET A 69 16.620 -16.669 -3.380 1.00 55.31 H new ATOM 0 HA MET A 69 17.141 -14.092 -2.536 1.00 4.24 H new ATOM 0 HB2 MET A 69 16.220 -15.886 -1.123 1.00 40.23 H new ATOM 0 HB3 MET A 69 17.737 -16.760 -1.196 1.00 40.23 H new ATOM 0 HG2 MET A 69 18.523 -14.265 -0.262 1.00 20.53 H new ATOM 0 HG3 MET A 69 16.955 -14.479 0.492 1.00 20.53 H new ATOM 0 HE1 MET A 69 17.195 -17.310 2.842 1.00 41.23 H new ATOM 0 HE2 MET A 69 16.197 -16.454 1.643 1.00 41.23 H new ATOM 0 HE3 MET A 69 17.027 -17.963 1.196 1.00 41.23 H new ATOM 1077 N ASN A 70 19.889 -15.895 -2.883 1.00 34.54 N ATOM 1078 CA ASN A 70 21.340 -15.809 -2.997 1.00 51.14 C ATOM 1079 C ASN A 70 21.742 -14.778 -4.048 1.00 0.03 C ATOM 1080 O ASN A 70 22.837 -14.218 -3.995 1.00 34.44 O ATOM 1081 CB ASN A 70 21.926 -17.175 -3.357 1.00 64.52 C ATOM 1082 CG ASN A 70 23.382 -17.088 -3.774 1.00 71.41 C ATOM 1083 OD1 ASN A 70 23.747 -17.485 -4.881 1.00 31.53 O ATOM 1084 ND2 ASN A 70 24.221 -16.567 -2.887 1.00 21.23 N ATOM 0 H ASN A 70 19.508 -16.828 -3.039 1.00 34.54 H new ATOM 0 HA ASN A 70 21.738 -15.494 -2.032 1.00 51.14 H new ATOM 0 HB2 ASN A 70 21.835 -17.843 -2.501 1.00 64.52 H new ATOM 0 HB3 ASN A 70 21.344 -17.615 -4.167 1.00 64.52 H new ATOM 0 HD21 ASN A 70 25.213 -16.483 -3.111 1.00 21.23 H new ATOM 0 HD22 ASN A 70 23.874 -16.251 -1.981 1.00 21.23 H new ATOM 1091 N GLU A 71 20.848 -14.532 -5.001 1.00 22.43 N ATOM 1092 CA GLU A 71 21.111 -13.569 -6.063 1.00 54.12 C ATOM 1093 C GLU A 71 20.712 -12.161 -5.631 1.00 51.34 C ATOM 1094 O GLU A 71 21.508 -11.225 -5.718 1.00 54.14 O ATOM 1095 CB GLU A 71 20.352 -13.958 -7.334 1.00 23.41 C ATOM 1096 CG GLU A 71 21.194 -13.871 -8.596 1.00 21.31 C ATOM 1097 CD GLU A 71 22.478 -14.672 -8.497 1.00 3.51 C ATOM 1098 OE1 GLU A 71 22.439 -15.793 -7.950 1.00 35.15 O ATOM 1099 OE2 GLU A 71 23.523 -14.175 -8.968 1.00 24.44 O ATOM 0 H GLU A 71 19.936 -14.986 -5.059 1.00 22.43 H new ATOM 0 HA GLU A 71 22.181 -13.578 -6.270 1.00 54.12 H new ATOM 0 HB2 GLU A 71 19.978 -14.976 -7.226 1.00 23.41 H new ATOM 0 HB3 GLU A 71 19.483 -13.309 -7.441 1.00 23.41 H new ATOM 0 HG2 GLU A 71 20.610 -14.231 -9.443 1.00 21.31 H new ATOM 0 HG3 GLU A 71 21.436 -12.827 -8.796 1.00 21.31 H new ATOM 1106 N ILE A 72 19.475 -12.019 -5.167 1.00 2.34 N ATOM 1107 CA ILE A 72 18.971 -10.726 -4.721 1.00 10.31 C ATOM 1108 C ILE A 72 19.759 -10.212 -3.521 1.00 22.33 C ATOM 1109 O ILE A 72 19.797 -9.010 -3.258 1.00 33.31 O ATOM 1110 CB ILE A 72 17.479 -10.802 -4.346 1.00 60.04 C ATOM 1111 CG1 ILE A 72 16.647 -11.218 -5.561 1.00 34.00 C ATOM 1112 CG2 ILE A 72 17.000 -9.464 -3.802 1.00 64.34 C ATOM 1113 CD1 ILE A 72 16.710 -10.230 -6.704 1.00 44.24 C ATOM 0 H ILE A 72 18.804 -12.783 -5.090 1.00 2.34 H new ATOM 0 HA ILE A 72 19.093 -10.036 -5.556 1.00 10.31 H new ATOM 0 HB ILE A 72 17.353 -11.554 -3.567 1.00 60.04 H new ATOM 0 HG12 ILE A 72 16.993 -12.190 -5.912 1.00 34.00 H new ATOM 0 HG13 ILE A 72 15.608 -11.341 -5.255 1.00 34.00 H new ATOM 0 HG21 ILE A 72 15.944 -9.534 -3.542 1.00 64.34 H new ATOM 0 HG22 ILE A 72 17.576 -9.205 -2.914 1.00 64.34 H new ATOM 0 HG23 ILE A 72 17.136 -8.693 -4.560 1.00 64.34 H new ATOM 0 HD11 ILE A 72 16.097 -10.590 -7.530 1.00 44.24 H new ATOM 0 HD12 ILE A 72 16.336 -9.262 -6.369 1.00 44.24 H new ATOM 0 HD13 ILE A 72 17.742 -10.125 -7.037 1.00 44.24 H new ATOM 1125 N SER A 73 20.389 -11.132 -2.796 1.00 45.55 N ATOM 1126 CA SER A 73 21.176 -10.772 -1.622 1.00 62.34 C ATOM 1127 C SER A 73 22.613 -10.441 -2.012 1.00 45.01 C ATOM 1128 O SER A 73 23.459 -10.189 -1.153 1.00 53.22 O ATOM 1129 CB SER A 73 21.162 -11.914 -0.604 1.00 62.11 C ATOM 1130 OG SER A 73 21.428 -11.435 0.703 1.00 61.22 O ATOM 0 H SER A 73 20.370 -12.131 -3.001 1.00 45.55 H new ATOM 0 HA SER A 73 20.727 -9.887 -1.171 1.00 62.34 H new ATOM 0 HB2 SER A 73 20.192 -12.410 -0.622 1.00 62.11 H new ATOM 0 HB3 SER A 73 21.907 -12.660 -0.880 1.00 62.11 H new ATOM 0 HG SER A 73 22.187 -10.815 0.676 1.00 61.22 H new ATOM 1136 N ARG A 74 22.883 -10.444 -3.314 1.00 14.24 N ATOM 1137 CA ARG A 74 24.217 -10.145 -3.818 1.00 43.14 C ATOM 1138 C ARG A 74 24.730 -8.825 -3.251 1.00 41.40 C ATOM 1139 O ARG A 74 25.790 -8.776 -2.626 1.00 34.01 O ATOM 1140 CB ARG A 74 24.206 -10.085 -5.347 1.00 70.30 C ATOM 1141 CG ARG A 74 24.404 -11.438 -6.011 1.00 24.23 C ATOM 1142 CD ARG A 74 25.879 -11.747 -6.217 1.00 41.42 C ATOM 1143 NE ARG A 74 26.517 -12.217 -4.990 1.00 51.24 N ATOM 1144 CZ ARG A 74 27.832 -12.340 -4.846 1.00 53.41 C ATOM 1145 NH1 ARG A 74 28.644 -12.028 -5.847 1.00 33.11 N ATOM 1146 NH2 ARG A 74 28.337 -12.774 -3.699 1.00 33.33 N ATOM 0 H ARG A 74 22.195 -10.650 -4.038 1.00 14.24 H new ATOM 0 HA ARG A 74 24.886 -10.943 -3.497 1.00 43.14 H new ATOM 0 HB2 ARG A 74 23.258 -9.662 -5.679 1.00 70.30 H new ATOM 0 HB3 ARG A 74 24.991 -9.407 -5.681 1.00 70.30 H new ATOM 0 HG2 ARG A 74 23.951 -12.216 -5.397 1.00 24.23 H new ATOM 0 HG3 ARG A 74 23.891 -11.451 -6.972 1.00 24.23 H new ATOM 0 HD2 ARG A 74 25.986 -12.504 -6.994 1.00 41.42 H new ATOM 0 HD3 ARG A 74 26.391 -10.852 -6.572 1.00 41.42 H new ATOM 0 HE ARG A 74 25.920 -12.464 -4.201 1.00 51.24 H new ATOM 0 HH11 ARG A 74 28.259 -11.693 -6.730 1.00 33.11 H new ATOM 0 HH12 ARG A 74 29.653 -12.123 -5.734 1.00 33.11 H new ATOM 0 HH21 ARG A 74 27.716 -13.014 -2.926 1.00 33.33 H new ATOM 0 HH22 ARG A 74 29.347 -12.868 -3.589 1.00 33.33 H new