USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 617 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 54 SER OG : rot 180:sc= 0.218 USER MOD Set 1.2: A 58 GLN : amide:sc= 0.221 X(o=0.44,f=0.14) USER MOD Set 2.1: A 49 ASN : amide:sc= 0.43 K(o=0.4,f=-0.42) USER MOD Set 2.2: A 52 GLN : amide:sc= -0.0307 K(o=0.4,f=-5.3!) USER MOD Set 3.1: A 18 THR OG1 : rot -61:sc= 0.632 USER MOD Set 3.2: A 20 ASN : amide:sc= 0 X(o=0.63,f=0.54) USER MOD Single : A 1 SER N :NH3+ -126:sc= 0.0835 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 174:sc=-0.00672 (180deg=-0.0842) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.082) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 87:sc= 0.293 USER MOD Single : A 30 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.044) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 170:sc= -0.37 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 166:sc= 0.578 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 0.37 (180deg=-0.299) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 59 GLN : amide:sc= 0.36 K(o=0.36,f=-4.8!) USER MOD Single : A 61 MET CE :methyl -123:sc= -0.0127 (180deg=-0.272) USER MOD Single : A 62 LYS NZ :NH3+ -120:sc= 0.111 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -10:sc= -0.481 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.849 3.839 17.429 1.00 3.32 N ATOM 2 CA SER A 1 16.158 5.010 16.553 1.00 73.24 C ATOM 3 C SER A 1 17.248 4.659 15.507 1.00 11.34 C ATOM 4 O SER A 1 17.631 3.486 15.381 1.00 61.41 O ATOM 5 CB SER A 1 16.581 6.221 17.426 1.00 14.04 C ATOM 6 OG SER A 1 15.564 6.555 18.360 1.00 52.50 O ATOM 0 H1 SER A 1 14.826 3.651 17.409 1.00 3.32 H new ATOM 0 H2 SER A 1 16.362 3.002 17.084 1.00 3.32 H new ATOM 0 H3 SER A 1 16.144 4.048 18.404 1.00 3.32 H new ATOM 0 HA SER A 1 15.259 5.278 15.998 1.00 73.24 H new ATOM 0 HB2 SER A 1 17.504 5.987 17.956 1.00 14.04 H new ATOM 0 HB3 SER A 1 16.789 7.079 16.787 1.00 14.04 H new ATOM 0 HG SER A 1 15.854 7.320 18.900 1.00 52.50 H new ATOM 14 N HIS A 2 17.713 5.693 14.745 1.00 52.15 N ATOM 15 CA HIS A 2 18.732 5.548 13.660 1.00 33.35 C ATOM 16 C HIS A 2 18.213 4.626 12.513 1.00 13.32 C ATOM 17 O HIS A 2 16.993 4.548 12.297 1.00 31.11 O ATOM 18 CB HIS A 2 20.095 5.054 14.239 1.00 5.34 C ATOM 19 CG HIS A 2 20.696 5.965 15.279 1.00 31.55 C ATOM 20 ND1 HIS A 2 20.618 5.712 16.630 1.00 60.42 N ATOM 21 CD2 HIS A 2 21.379 7.132 15.163 1.00 61.15 C ATOM 22 CE1 HIS A 2 21.222 6.672 17.297 1.00 13.24 C ATOM 23 NE2 HIS A 2 21.693 7.546 16.436 1.00 32.35 N ATOM 0 H HIS A 2 17.391 6.653 14.867 1.00 52.15 H new ATOM 0 HA HIS A 2 18.903 6.531 13.222 1.00 33.35 H new ATOM 0 HB2 HIS A 2 19.953 4.066 14.677 1.00 5.34 H new ATOM 0 HB3 HIS A 2 20.804 4.940 13.419 1.00 5.34 H new ATOM 0 HD2 HIS A 2 21.629 7.640 14.243 1.00 61.15 H new ATOM 0 HE1 HIS A 2 21.315 6.732 18.371 1.00 13.24 H new ATOM 0 HE2 HIS A 2 22.208 8.394 16.674 1.00 32.35 H new ATOM 32 N MET A 3 19.148 3.984 11.762 1.00 43.12 N ATOM 33 CA MET A 3 18.841 3.024 10.672 1.00 55.34 C ATOM 34 C MET A 3 18.119 3.723 9.487 1.00 34.51 C ATOM 35 O MET A 3 16.889 3.811 9.451 1.00 62.13 O ATOM 36 CB MET A 3 18.054 1.776 11.204 1.00 35.54 C ATOM 37 CG MET A 3 17.792 0.666 10.164 1.00 34.25 C ATOM 38 SD MET A 3 19.291 0.112 9.312 1.00 62.13 S ATOM 39 CE MET A 3 20.335 -0.443 10.664 1.00 34.13 C ATOM 0 H MET A 3 20.149 4.122 11.900 1.00 43.12 H new ATOM 0 HA MET A 3 19.788 2.649 10.285 1.00 55.34 H new ATOM 0 HB2 MET A 3 18.609 1.346 12.037 1.00 35.54 H new ATOM 0 HB3 MET A 3 17.096 2.113 11.600 1.00 35.54 H new ATOM 0 HG2 MET A 3 17.330 -0.186 10.662 1.00 34.25 H new ATOM 0 HG3 MET A 3 17.077 1.031 9.426 1.00 34.25 H new ATOM 0 HE1 MET A 3 21.238 -0.903 10.262 1.00 34.13 H new ATOM 0 HE2 MET A 3 20.608 0.409 11.286 1.00 34.13 H new ATOM 0 HE3 MET A 3 19.793 -1.173 11.266 1.00 34.13 H new ATOM 49 N LYS A 4 18.918 4.255 8.544 1.00 20.30 N ATOM 50 CA LYS A 4 18.418 5.010 7.366 1.00 21.22 C ATOM 51 C LYS A 4 19.450 4.933 6.195 1.00 44.42 C ATOM 52 O LYS A 4 19.366 5.678 5.208 1.00 53.30 O ATOM 53 CB LYS A 4 18.159 6.493 7.791 1.00 1.31 C ATOM 54 CG LYS A 4 17.305 7.339 6.807 1.00 33.34 C ATOM 55 CD LYS A 4 17.244 8.833 7.205 1.00 4.20 C ATOM 56 CE LYS A 4 16.657 9.065 8.611 1.00 11.34 C ATOM 57 NZ LYS A 4 16.766 10.486 9.022 1.00 52.11 N ATOM 0 H LYS A 4 19.935 4.176 8.572 1.00 20.30 H new ATOM 0 HA LYS A 4 17.485 4.572 7.012 1.00 21.22 H new ATOM 0 HB2 LYS A 4 17.665 6.492 8.763 1.00 1.31 H new ATOM 0 HB3 LYS A 4 19.122 6.987 7.924 1.00 1.31 H new ATOM 0 HG2 LYS A 4 17.720 7.251 5.803 1.00 33.34 H new ATOM 0 HG3 LYS A 4 16.293 6.935 6.770 1.00 33.34 H new ATOM 0 HD2 LYS A 4 18.248 9.254 7.164 1.00 4.20 H new ATOM 0 HD3 LYS A 4 16.642 9.373 6.474 1.00 4.20 H new ATOM 0 HE2 LYS A 4 15.610 8.762 8.623 1.00 11.34 H new ATOM 0 HE3 LYS A 4 17.179 8.436 9.332 1.00 11.34 H new ATOM 0 HZ1 LYS A 4 16.361 10.604 9.973 1.00 52.11 H new ATOM 0 HZ2 LYS A 4 17.767 10.768 9.034 1.00 52.11 H new ATOM 0 HZ3 LYS A 4 16.246 11.083 8.348 1.00 52.11 H new ATOM 71 N ASN A 5 20.406 3.985 6.309 1.00 43.53 N ATOM 72 CA ASN A 5 21.536 3.845 5.366 1.00 53.55 C ATOM 73 C ASN A 5 21.051 3.285 4.000 1.00 2.22 C ATOM 74 O ASN A 5 20.928 2.070 3.814 1.00 32.51 O ATOM 75 CB ASN A 5 22.648 2.953 5.998 1.00 43.44 C ATOM 76 CG ASN A 5 23.986 2.962 5.235 1.00 24.42 C ATOM 77 OD1 ASN A 5 24.042 3.121 4.021 1.00 62.23 O ATOM 78 ND2 ASN A 5 25.081 2.781 5.947 1.00 51.20 N ATOM 0 H ASN A 5 20.415 3.294 7.059 1.00 43.53 H new ATOM 0 HA ASN A 5 21.963 4.829 5.173 1.00 53.55 H new ATOM 0 HB2 ASN A 5 22.825 3.286 7.021 1.00 43.44 H new ATOM 0 HB3 ASN A 5 22.284 1.927 6.055 1.00 43.44 H new ATOM 0 HD21 ASN A 5 25.992 2.772 5.488 1.00 51.20 H new ATOM 0 HD22 ASN A 5 25.017 2.650 6.957 1.00 51.20 H new ATOM 85 N VAL A 6 20.731 4.204 3.071 1.00 11.21 N ATOM 86 CA VAL A 6 20.320 3.864 1.690 1.00 20.53 C ATOM 87 C VAL A 6 21.449 4.217 0.686 1.00 3.13 C ATOM 88 O VAL A 6 21.991 5.330 0.697 1.00 15.44 O ATOM 89 CB VAL A 6 18.965 4.582 1.296 1.00 54.22 C ATOM 90 CG1 VAL A 6 17.793 4.057 2.170 1.00 31.04 C ATOM 91 CG2 VAL A 6 19.068 6.129 1.399 1.00 45.42 C ATOM 0 H VAL A 6 20.749 5.207 3.254 1.00 11.21 H new ATOM 0 HA VAL A 6 20.144 2.789 1.646 1.00 20.53 H new ATOM 0 HB VAL A 6 18.766 4.339 0.252 1.00 54.22 H new ATOM 0 HG11 VAL A 6 16.871 4.563 1.884 1.00 31.04 H new ATOM 0 HG12 VAL A 6 17.680 2.983 2.020 1.00 31.04 H new ATOM 0 HG13 VAL A 6 18.005 4.256 3.220 1.00 31.04 H new ATOM 0 HG21 VAL A 6 18.114 6.577 1.119 1.00 45.42 H new ATOM 0 HG22 VAL A 6 19.314 6.410 2.423 1.00 45.42 H new ATOM 0 HG23 VAL A 6 19.848 6.487 0.727 1.00 45.42 H new ATOM 101 N ILE A 7 21.824 3.240 -0.153 1.00 63.33 N ATOM 102 CA ILE A 7 22.880 3.401 -1.174 1.00 74.54 C ATOM 103 C ILE A 7 22.234 3.822 -2.519 1.00 63.10 C ATOM 104 O ILE A 7 21.595 2.994 -3.181 1.00 0.33 O ATOM 105 CB ILE A 7 23.741 2.076 -1.368 1.00 31.33 C ATOM 106 CG1 ILE A 7 24.496 1.651 -0.048 1.00 24.33 C ATOM 107 CG2 ILE A 7 24.752 2.236 -2.540 1.00 52.43 C ATOM 108 CD1 ILE A 7 23.630 1.055 1.054 1.00 53.13 C ATOM 0 H ILE A 7 21.404 2.311 -0.146 1.00 63.33 H new ATOM 0 HA ILE A 7 23.564 4.176 -0.828 1.00 74.54 H new ATOM 0 HB ILE A 7 23.039 1.279 -1.613 1.00 31.33 H new ATOM 0 HG12 ILE A 7 25.265 0.925 -0.311 1.00 24.33 H new ATOM 0 HG13 ILE A 7 25.007 2.526 0.352 1.00 24.33 H new ATOM 0 HG21 ILE A 7 25.328 1.317 -2.652 1.00 52.43 H new ATOM 0 HG22 ILE A 7 24.209 2.439 -3.463 1.00 52.43 H new ATOM 0 HG23 ILE A 7 25.428 3.064 -2.327 1.00 52.43 H new ATOM 0 HD11 ILE A 7 24.255 0.801 1.910 1.00 53.13 H new ATOM 0 HD12 ILE A 7 22.876 1.782 1.357 1.00 53.13 H new ATOM 0 HD13 ILE A 7 23.138 0.155 0.684 1.00 53.13 H new ATOM 120 N LYS A 8 22.373 5.127 -2.874 1.00 70.22 N ATOM 121 CA LYS A 8 21.880 5.703 -4.148 1.00 45.03 C ATOM 122 C LYS A 8 20.348 5.490 -4.336 1.00 33.52 C ATOM 123 O LYS A 8 19.917 4.486 -4.922 1.00 44.13 O ATOM 124 CB LYS A 8 22.705 5.130 -5.353 1.00 54.31 C ATOM 125 CG LYS A 8 22.368 5.736 -6.734 1.00 14.45 C ATOM 126 CD LYS A 8 22.670 7.248 -6.810 1.00 12.34 C ATOM 127 CE LYS A 8 22.297 7.864 -8.167 1.00 62.31 C ATOM 128 NZ LYS A 8 22.585 9.317 -8.197 1.00 45.33 N ATOM 0 H LYS A 8 22.835 5.812 -2.276 1.00 70.22 H new ATOM 0 HA LYS A 8 22.031 6.782 -4.112 1.00 45.03 H new ATOM 0 HB2 LYS A 8 23.765 5.289 -5.154 1.00 54.31 H new ATOM 0 HB3 LYS A 8 22.548 4.052 -5.400 1.00 54.31 H new ATOM 0 HG2 LYS A 8 22.939 5.216 -7.503 1.00 14.45 H new ATOM 0 HG3 LYS A 8 21.313 5.569 -6.952 1.00 14.45 H new ATOM 0 HD2 LYS A 8 22.123 7.763 -6.020 1.00 12.34 H new ATOM 0 HD3 LYS A 8 23.731 7.411 -6.622 1.00 12.34 H new ATOM 0 HE2 LYS A 8 22.853 7.365 -8.960 1.00 62.31 H new ATOM 0 HE3 LYS A 8 21.238 7.697 -8.366 1.00 62.31 H new ATOM 0 HZ1 LYS A 8 22.322 9.704 -9.126 1.00 45.33 H new ATOM 0 HZ2 LYS A 8 22.035 9.795 -7.455 1.00 45.33 H new ATOM 0 HZ3 LYS A 8 23.600 9.473 -8.031 1.00 45.33 H new ATOM 142 N LYS A 9 19.533 6.419 -3.793 1.00 24.20 N ATOM 143 CA LYS A 9 18.054 6.324 -3.860 1.00 14.10 C ATOM 144 C LYS A 9 17.534 6.521 -5.310 1.00 61.11 C ATOM 145 O LYS A 9 17.585 7.625 -5.867 1.00 11.40 O ATOM 146 CB LYS A 9 17.380 7.339 -2.885 1.00 52.23 C ATOM 147 CG LYS A 9 15.824 7.382 -2.954 1.00 13.24 C ATOM 148 CD LYS A 9 15.137 6.009 -2.692 1.00 54.32 C ATOM 149 CE LYS A 9 15.254 5.530 -1.232 1.00 55.11 C ATOM 150 NZ LYS A 9 14.544 6.438 -0.290 1.00 5.02 N ATOM 0 H LYS A 9 19.872 7.246 -3.302 1.00 24.20 H new ATOM 0 HA LYS A 9 17.779 5.318 -3.545 1.00 14.10 H new ATOM 0 HB2 LYS A 9 17.677 7.093 -1.866 1.00 52.23 H new ATOM 0 HB3 LYS A 9 17.766 8.336 -3.098 1.00 52.23 H new ATOM 0 HG2 LYS A 9 15.459 8.104 -2.224 1.00 13.24 H new ATOM 0 HG3 LYS A 9 15.525 7.744 -3.938 1.00 13.24 H new ATOM 0 HD2 LYS A 9 14.083 6.083 -2.958 1.00 54.32 H new ATOM 0 HD3 LYS A 9 15.579 5.260 -3.348 1.00 54.32 H new ATOM 0 HE2 LYS A 9 14.843 4.524 -1.146 1.00 55.11 H new ATOM 0 HE3 LYS A 9 16.306 5.469 -0.953 1.00 55.11 H new ATOM 0 HZ1 LYS A 9 14.516 6.005 0.655 1.00 5.02 H new ATOM 0 HZ2 LYS A 9 15.046 7.347 -0.239 1.00 5.02 H new ATOM 0 HZ3 LYS A 9 13.573 6.597 -0.627 1.00 5.02 H new ATOM 164 N LYS A 10 17.041 5.421 -5.898 1.00 60.15 N ATOM 165 CA LYS A 10 16.449 5.402 -7.248 1.00 34.44 C ATOM 166 C LYS A 10 14.902 5.455 -7.150 1.00 5.34 C ATOM 167 O LYS A 10 14.244 4.430 -6.917 1.00 15.32 O ATOM 168 CB LYS A 10 16.919 4.125 -7.996 1.00 70.20 C ATOM 169 CG LYS A 10 16.464 4.028 -9.477 1.00 54.12 C ATOM 170 CD LYS A 10 16.826 2.671 -10.128 1.00 31.32 C ATOM 171 CE LYS A 10 18.338 2.382 -10.116 1.00 13.24 C ATOM 172 NZ LYS A 10 18.653 1.072 -10.725 1.00 53.34 N ATOM 0 H LYS A 10 17.041 4.507 -5.445 1.00 60.15 H new ATOM 0 HA LYS A 10 16.780 6.276 -7.809 1.00 34.44 H new ATOM 0 HB2 LYS A 10 18.008 4.082 -7.962 1.00 70.20 H new ATOM 0 HB3 LYS A 10 16.549 3.251 -7.460 1.00 70.20 H new ATOM 0 HG2 LYS A 10 15.385 4.176 -9.531 1.00 54.12 H new ATOM 0 HG3 LYS A 10 16.925 4.834 -10.048 1.00 54.12 H new ATOM 0 HD2 LYS A 10 16.305 1.871 -9.602 1.00 31.32 H new ATOM 0 HD3 LYS A 10 16.468 2.661 -11.158 1.00 31.32 H new ATOM 0 HE2 LYS A 10 18.863 3.170 -10.657 1.00 13.24 H new ATOM 0 HE3 LYS A 10 18.704 2.403 -9.089 1.00 13.24 H new ATOM 0 HZ1 LYS A 10 19.681 0.915 -10.698 1.00 53.34 H new ATOM 0 HZ2 LYS A 10 18.173 0.318 -10.194 1.00 53.34 H new ATOM 0 HZ3 LYS A 10 18.327 1.061 -11.713 1.00 53.34 H new ATOM 186 N GLY A 11 14.338 6.670 -7.267 1.00 64.33 N ATOM 187 CA GLY A 11 12.880 6.871 -7.252 1.00 45.51 C ATOM 188 C GLY A 11 12.459 8.240 -6.710 1.00 41.21 C ATOM 189 O GLY A 11 12.020 8.350 -5.559 1.00 51.23 O ATOM 0 H GLY A 11 14.874 7.531 -7.373 1.00 64.33 H new ATOM 0 HA2 GLY A 11 12.495 6.756 -8.265 1.00 45.51 H new ATOM 0 HA3 GLY A 11 12.420 6.091 -6.645 1.00 45.51 H new ATOM 193 N GLU A 12 12.618 9.299 -7.533 1.00 22.10 N ATOM 194 CA GLU A 12 12.077 10.645 -7.227 1.00 30.41 C ATOM 195 C GLU A 12 10.539 10.645 -7.358 1.00 21.53 C ATOM 196 O GLU A 12 10.001 10.641 -8.472 1.00 25.32 O ATOM 197 CB GLU A 12 12.709 11.710 -8.163 1.00 63.04 C ATOM 198 CG GLU A 12 14.189 12.023 -7.885 1.00 11.04 C ATOM 199 CD GLU A 12 14.414 12.658 -6.503 1.00 61.43 C ATOM 200 OE1 GLU A 12 14.271 13.899 -6.371 1.00 22.12 O ATOM 201 OE2 GLU A 12 14.717 11.928 -5.534 1.00 64.13 O ATOM 0 H GLU A 12 13.119 9.249 -8.420 1.00 22.10 H new ATOM 0 HA GLU A 12 12.335 10.900 -6.199 1.00 30.41 H new ATOM 0 HB2 GLU A 12 12.613 11.369 -9.194 1.00 63.04 H new ATOM 0 HB3 GLU A 12 12.136 12.633 -8.078 1.00 63.04 H new ATOM 0 HG2 GLU A 12 14.770 11.103 -7.956 1.00 11.04 H new ATOM 0 HG3 GLU A 12 14.564 12.697 -8.655 1.00 11.04 H new ATOM 208 N ILE A 13 9.849 10.621 -6.204 1.00 42.32 N ATOM 209 CA ILE A 13 8.375 10.524 -6.121 1.00 51.40 C ATOM 210 C ILE A 13 7.791 11.632 -5.201 1.00 43.53 C ATOM 211 O ILE A 13 8.059 11.665 -3.993 1.00 62.42 O ATOM 212 CB ILE A 13 7.937 9.081 -5.634 1.00 0.33 C ATOM 213 CG1 ILE A 13 8.769 8.626 -4.378 1.00 53.30 C ATOM 214 CG2 ILE A 13 8.046 8.052 -6.791 1.00 51.01 C ATOM 215 CD1 ILE A 13 8.548 7.186 -3.944 1.00 34.14 C ATOM 0 H ILE A 13 10.301 10.669 -5.291 1.00 42.32 H new ATOM 0 HA ILE A 13 7.967 10.680 -7.120 1.00 51.40 H new ATOM 0 HB ILE A 13 6.891 9.131 -5.330 1.00 0.33 H new ATOM 0 HG12 ILE A 13 9.828 8.765 -4.594 1.00 53.30 H new ATOM 0 HG13 ILE A 13 8.525 9.282 -3.543 1.00 53.30 H new ATOM 0 HG21 ILE A 13 7.740 7.069 -6.433 1.00 51.01 H new ATOM 0 HG22 ILE A 13 7.397 8.357 -7.612 1.00 51.01 H new ATOM 0 HG23 ILE A 13 9.077 8.006 -7.141 1.00 51.01 H new ATOM 0 HD11 ILE A 13 9.165 6.970 -3.072 1.00 34.14 H new ATOM 0 HD12 ILE A 13 7.498 7.039 -3.691 1.00 34.14 H new ATOM 0 HD13 ILE A 13 8.822 6.515 -4.758 1.00 34.14 H new ATOM 227 N ILE A 14 6.980 12.528 -5.805 1.00 71.31 N ATOM 228 CA ILE A 14 6.336 13.683 -5.115 1.00 50.31 C ATOM 229 C ILE A 14 5.317 13.241 -4.022 1.00 32.54 C ATOM 230 O ILE A 14 4.977 14.001 -3.109 1.00 42.45 O ATOM 231 CB ILE A 14 5.632 14.620 -6.178 1.00 63.32 C ATOM 232 CG1 ILE A 14 5.097 15.950 -5.533 1.00 44.51 C ATOM 233 CG2 ILE A 14 4.502 13.866 -6.936 1.00 15.54 C ATOM 234 CD1 ILE A 14 4.463 16.938 -6.509 1.00 35.42 C ATOM 0 H ILE A 14 6.747 12.475 -6.797 1.00 71.31 H new ATOM 0 HA ILE A 14 7.125 14.234 -4.603 1.00 50.31 H new ATOM 0 HB ILE A 14 6.393 14.902 -6.906 1.00 63.32 H new ATOM 0 HG12 ILE A 14 4.361 15.695 -4.771 1.00 44.51 H new ATOM 0 HG13 ILE A 14 5.924 16.446 -5.025 1.00 44.51 H new ATOM 0 HG21 ILE A 14 4.038 14.537 -7.659 1.00 15.54 H new ATOM 0 HG22 ILE A 14 4.924 13.007 -7.457 1.00 15.54 H new ATOM 0 HG23 ILE A 14 3.751 13.525 -6.224 1.00 15.54 H new ATOM 0 HD11 ILE A 14 4.126 17.821 -5.966 1.00 35.42 H new ATOM 0 HD12 ILE A 14 5.198 17.231 -7.259 1.00 35.42 H new ATOM 0 HD13 ILE A 14 3.611 16.468 -7.001 1.00 35.42 H new ATOM 246 N ILE A 15 4.882 11.977 -4.116 1.00 12.01 N ATOM 247 CA ILE A 15 3.849 11.381 -3.238 1.00 44.41 C ATOM 248 C ILE A 15 4.366 11.207 -1.770 1.00 64.23 C ATOM 249 O ILE A 15 3.566 11.100 -0.830 1.00 2.33 O ATOM 250 CB ILE A 15 3.356 9.980 -3.798 1.00 54.22 C ATOM 251 CG1 ILE A 15 3.016 10.019 -5.339 1.00 2.53 C ATOM 252 CG2 ILE A 15 2.139 9.461 -3.003 1.00 64.34 C ATOM 253 CD1 ILE A 15 4.190 9.770 -6.269 1.00 33.40 C ATOM 0 H ILE A 15 5.240 11.324 -4.813 1.00 12.01 H new ATOM 0 HA ILE A 15 3.008 12.074 -3.228 1.00 44.41 H new ATOM 0 HB ILE A 15 4.191 9.292 -3.667 1.00 54.22 H new ATOM 0 HG12 ILE A 15 2.247 9.274 -5.544 1.00 2.53 H new ATOM 0 HG13 ILE A 15 2.587 10.993 -5.575 1.00 2.53 H new ATOM 0 HG21 ILE A 15 1.823 8.500 -3.408 1.00 64.34 H new ATOM 0 HG22 ILE A 15 2.414 9.340 -1.955 1.00 64.34 H new ATOM 0 HG23 ILE A 15 1.320 10.176 -3.083 1.00 64.34 H new ATOM 0 HD11 ILE A 15 3.851 9.818 -7.304 1.00 33.40 H new ATOM 0 HD12 ILE A 15 4.954 10.529 -6.102 1.00 33.40 H new ATOM 0 HD13 ILE A 15 4.609 8.784 -6.070 1.00 33.40 H new ATOM 265 N LEU A 16 5.712 11.205 -1.605 1.00 35.34 N ATOM 266 CA LEU A 16 6.403 11.010 -0.304 1.00 71.15 C ATOM 267 C LEU A 16 6.119 9.598 0.275 1.00 4.40 C ATOM 268 O LEU A 16 5.302 9.422 1.187 1.00 53.12 O ATOM 269 CB LEU A 16 6.054 12.142 0.720 1.00 11.40 C ATOM 270 CG LEU A 16 6.771 12.074 2.115 1.00 42.12 C ATOM 271 CD1 LEU A 16 8.303 12.240 1.975 1.00 44.21 C ATOM 272 CD2 LEU A 16 6.177 13.110 3.097 1.00 55.24 C ATOM 0 H LEU A 16 6.358 11.341 -2.383 1.00 35.34 H new ATOM 0 HA LEU A 16 7.475 11.078 -0.490 1.00 71.15 H new ATOM 0 HB2 LEU A 16 6.292 13.102 0.261 1.00 11.40 H new ATOM 0 HB3 LEU A 16 4.977 12.128 0.889 1.00 11.40 H new ATOM 0 HG LEU A 16 6.591 11.083 2.530 1.00 42.12 H new ATOM 0 HD11 LEU A 16 8.766 12.188 2.960 1.00 44.21 H new ATOM 0 HD12 LEU A 16 8.699 11.444 1.345 1.00 44.21 H new ATOM 0 HD13 LEU A 16 8.524 13.206 1.521 1.00 44.21 H new ATOM 0 HD21 LEU A 16 6.692 13.041 4.055 1.00 55.24 H new ATOM 0 HD22 LEU A 16 6.304 14.113 2.689 1.00 55.24 H new ATOM 0 HD23 LEU A 16 5.116 12.908 3.241 1.00 55.24 H new ATOM 284 N TRP A 17 6.766 8.583 -0.310 1.00 51.13 N ATOM 285 CA TRP A 17 6.665 7.188 0.164 1.00 13.40 C ATOM 286 C TRP A 17 7.885 6.813 1.022 1.00 3.35 C ATOM 287 O TRP A 17 9.011 6.743 0.518 1.00 51.03 O ATOM 288 CB TRP A 17 6.531 6.200 -1.025 1.00 1.40 C ATOM 289 CG TRP A 17 5.191 6.247 -1.723 1.00 73.42 C ATOM 290 CD1 TRP A 17 4.920 6.653 -3.002 1.00 15.52 C ATOM 291 CD2 TRP A 17 3.938 5.849 -1.157 1.00 64.21 C ATOM 292 NE1 TRP A 17 3.581 6.511 -3.261 1.00 65.25 N ATOM 293 CE2 TRP A 17 2.960 6.026 -2.138 1.00 75.44 C ATOM 294 CE3 TRP A 17 3.560 5.348 0.086 1.00 32.13 C ATOM 295 CZ2 TRP A 17 1.623 5.732 -1.912 1.00 3.24 C ATOM 296 CZ3 TRP A 17 2.235 5.054 0.313 1.00 52.21 C ATOM 297 CH2 TRP A 17 1.276 5.248 -0.682 1.00 52.22 C ATOM 0 H TRP A 17 7.373 8.699 -1.122 1.00 51.13 H new ATOM 0 HA TRP A 17 5.767 7.114 0.777 1.00 13.40 H new ATOM 0 HB2 TRP A 17 7.314 6.416 -1.752 1.00 1.40 H new ATOM 0 HB3 TRP A 17 6.703 5.187 -0.662 1.00 1.40 H new ATOM 0 HD1 TRP A 17 5.651 7.029 -3.702 1.00 15.52 H new ATOM 0 HE1 TRP A 17 3.121 6.730 -4.145 1.00 65.25 H new ATOM 0 HE3 TRP A 17 4.296 5.192 0.861 1.00 32.13 H new ATOM 0 HZ2 TRP A 17 0.881 5.881 -2.683 1.00 3.24 H new ATOM 0 HZ3 TRP A 17 1.933 4.668 1.275 1.00 52.21 H new ATOM 0 HH2 TRP A 17 0.242 5.012 -0.477 1.00 52.22 H new ATOM 308 N THR A 18 7.650 6.582 2.319 1.00 41.54 N ATOM 309 CA THR A 18 8.670 6.036 3.240 1.00 51.22 C ATOM 310 C THR A 18 8.453 4.521 3.357 1.00 65.02 C ATOM 311 O THR A 18 7.329 4.042 3.140 1.00 24.42 O ATOM 312 CB THR A 18 8.595 6.673 4.675 1.00 11.22 C ATOM 313 OG1 THR A 18 7.410 6.231 5.366 1.00 52.34 O ATOM 314 CG2 THR A 18 8.613 8.214 4.618 1.00 14.22 C ATOM 0 H THR A 18 6.751 6.766 2.765 1.00 41.54 H new ATOM 0 HA THR A 18 9.652 6.273 2.831 1.00 51.22 H new ATOM 0 HB THR A 18 9.478 6.340 5.220 1.00 11.22 H new ATOM 0 HG1 THR A 18 6.616 6.508 4.863 1.00 52.34 H new ATOM 0 HG21 THR A 18 8.560 8.616 5.630 1.00 14.22 H new ATOM 0 HG22 THR A 18 9.534 8.550 4.142 1.00 14.22 H new ATOM 0 HG23 THR A 18 7.758 8.567 4.042 1.00 14.22 H new ATOM 322 N ARG A 19 9.513 3.772 3.717 1.00 53.23 N ATOM 323 CA ARG A 19 9.416 2.310 3.947 1.00 64.42 C ATOM 324 C ARG A 19 8.392 1.956 5.066 1.00 35.22 C ATOM 325 O ARG A 19 7.913 0.826 5.140 1.00 21.21 O ATOM 326 CB ARG A 19 10.810 1.707 4.261 1.00 74.12 C ATOM 327 CG ARG A 19 11.446 2.192 5.581 1.00 62.40 C ATOM 328 CD ARG A 19 12.839 1.583 5.831 1.00 21.24 C ATOM 329 NE ARG A 19 13.345 1.937 7.165 1.00 50.20 N ATOM 330 CZ ARG A 19 14.589 1.852 7.574 1.00 3.13 C ATOM 331 NH1 ARG A 19 15.559 1.525 6.771 1.00 52.02 N ATOM 332 NH2 ARG A 19 14.845 2.117 8.803 1.00 41.24 N ATOM 0 H ARG A 19 10.449 4.152 3.856 1.00 53.23 H new ATOM 0 HA ARG A 19 9.046 1.864 3.024 1.00 64.42 H new ATOM 0 HB2 ARG A 19 10.721 0.621 4.295 1.00 74.12 H new ATOM 0 HB3 ARG A 19 11.486 1.945 3.440 1.00 74.12 H new ATOM 0 HG2 ARG A 19 11.528 3.279 5.562 1.00 62.40 H new ATOM 0 HG3 ARG A 19 10.788 1.936 6.412 1.00 62.40 H new ATOM 0 HD2 ARG A 19 12.787 0.498 5.736 1.00 21.24 H new ATOM 0 HD3 ARG A 19 13.535 1.937 5.070 1.00 21.24 H new ATOM 0 HE ARG A 19 12.662 2.283 7.839 1.00 50.20 H new ATOM 0 HH11 ARG A 19 15.364 1.325 5.790 1.00 52.02 H new ATOM 0 HH12 ARG A 19 16.515 1.468 7.122 1.00 52.02 H new ATOM 0 HH21 ARG A 19 14.091 2.386 9.435 1.00 41.24 H new ATOM 0 HH22 ARG A 19 15.803 2.059 9.148 1.00 41.24 H new ATOM 346 N ASN A 20 8.074 2.942 5.930 1.00 62.34 N ATOM 347 CA ASN A 20 7.042 2.816 6.988 1.00 1.12 C ATOM 348 C ASN A 20 5.614 2.788 6.387 1.00 60.20 C ATOM 349 O ASN A 20 4.756 2.028 6.857 1.00 41.41 O ATOM 350 CB ASN A 20 7.172 3.994 7.976 1.00 52.25 C ATOM 351 CG ASN A 20 8.579 4.097 8.564 1.00 42.14 C ATOM 352 OD1 ASN A 20 9.458 4.746 8.002 1.00 11.02 O ATOM 353 ND2 ASN A 20 8.809 3.455 9.691 1.00 42.55 N ATOM 0 H ASN A 20 8.527 3.856 5.916 1.00 62.34 H new ATOM 0 HA ASN A 20 7.203 1.873 7.511 1.00 1.12 H new ATOM 0 HB2 ASN A 20 6.924 4.924 7.465 1.00 52.25 H new ATOM 0 HB3 ASN A 20 6.450 3.871 8.783 1.00 52.25 H new ATOM 0 HD21 ASN A 20 9.735 3.489 10.118 1.00 42.55 H new ATOM 0 HD22 ASN A 20 8.061 2.923 10.137 1.00 42.55 H new ATOM 360 N ASP A 21 5.369 3.639 5.359 1.00 42.14 N ATOM 361 CA ASP A 21 4.072 3.684 4.634 1.00 42.14 C ATOM 362 C ASP A 21 3.755 2.323 3.963 1.00 74.21 C ATOM 363 O ASP A 21 2.760 1.658 4.286 1.00 21.44 O ATOM 364 CB ASP A 21 4.069 4.788 3.537 1.00 75.14 C ATOM 365 CG ASP A 21 4.023 6.223 4.067 1.00 55.03 C ATOM 366 OD1 ASP A 21 2.981 6.622 4.625 1.00 74.41 O ATOM 367 OD2 ASP A 21 4.995 6.986 3.880 1.00 21.13 O ATOM 0 H ASP A 21 6.057 4.307 5.011 1.00 42.14 H new ATOM 0 HA ASP A 21 3.309 3.912 5.378 1.00 42.14 H new ATOM 0 HB2 ASP A 21 4.962 4.672 2.923 1.00 75.14 H new ATOM 0 HB3 ASP A 21 3.210 4.629 2.885 1.00 75.14 H new ATOM 372 N ASP A 22 4.637 1.928 3.038 1.00 54.13 N ATOM 373 CA ASP A 22 4.469 0.735 2.194 1.00 0.54 C ATOM 374 C ASP A 22 4.480 -0.596 2.990 1.00 23.54 C ATOM 375 O ASP A 22 3.883 -1.586 2.563 1.00 30.11 O ATOM 376 CB ASP A 22 5.503 0.750 1.053 1.00 1.45 C ATOM 377 CG ASP A 22 6.954 0.963 1.491 1.00 55.42 C ATOM 378 OD1 ASP A 22 7.531 0.070 2.136 1.00 63.41 O ATOM 379 OD2 ASP A 22 7.539 2.006 1.140 1.00 14.23 O ATOM 0 H ASP A 22 5.502 2.435 2.850 1.00 54.13 H new ATOM 0 HA ASP A 22 3.471 0.782 1.758 1.00 0.54 H new ATOM 0 HB2 ASP A 22 5.438 -0.195 0.513 1.00 1.45 H new ATOM 0 HB3 ASP A 22 5.233 1.538 0.350 1.00 1.45 H new ATOM 384 N ARG A 23 5.191 -0.609 4.131 1.00 41.30 N ATOM 385 CA ARG A 23 5.183 -1.753 5.076 1.00 52.32 C ATOM 386 C ARG A 23 3.741 -2.106 5.550 1.00 50.35 C ATOM 387 O ARG A 23 3.390 -3.284 5.683 1.00 41.24 O ATOM 388 CB ARG A 23 6.083 -1.428 6.299 1.00 53.34 C ATOM 389 CG ARG A 23 6.435 -2.634 7.196 1.00 10.05 C ATOM 390 CD ARG A 23 7.183 -3.742 6.419 1.00 22.52 C ATOM 391 NE ARG A 23 7.708 -4.792 7.303 1.00 40.11 N ATOM 392 CZ ARG A 23 7.147 -5.957 7.531 1.00 73.15 C ATOM 393 NH1 ARG A 23 5.995 -6.270 7.010 1.00 4.32 N ATOM 394 NH2 ARG A 23 7.756 -6.800 8.297 1.00 44.14 N ATOM 0 H ARG A 23 5.785 0.165 4.428 1.00 41.30 H new ATOM 0 HA ARG A 23 5.576 -2.623 4.551 1.00 52.32 H new ATOM 0 HB2 ARG A 23 7.010 -0.981 5.939 1.00 53.34 H new ATOM 0 HB3 ARG A 23 5.582 -0.676 6.909 1.00 53.34 H new ATOM 0 HG2 ARG A 23 7.052 -2.297 8.029 1.00 10.05 H new ATOM 0 HG3 ARG A 23 5.521 -3.046 7.623 1.00 10.05 H new ATOM 0 HD2 ARG A 23 6.507 -4.189 5.690 1.00 22.52 H new ATOM 0 HD3 ARG A 23 8.006 -3.297 5.860 1.00 22.52 H new ATOM 0 HE ARG A 23 8.587 -4.598 7.783 1.00 40.11 H new ATOM 0 HH11 ARG A 23 5.509 -5.604 6.410 1.00 4.32 H new ATOM 0 HH12 ARG A 23 5.579 -7.181 7.202 1.00 4.32 H new ATOM 0 HH21 ARG A 23 8.655 -6.555 8.712 1.00 44.14 H new ATOM 0 HH22 ARG A 23 7.338 -7.711 8.487 1.00 44.14 H new ATOM 408 N VAL A 24 2.919 -1.062 5.778 1.00 20.21 N ATOM 409 CA VAL A 24 1.497 -1.215 6.172 1.00 43.30 C ATOM 410 C VAL A 24 0.630 -1.697 4.973 1.00 73.35 C ATOM 411 O VAL A 24 -0.354 -2.424 5.162 1.00 13.25 O ATOM 412 CB VAL A 24 0.928 0.126 6.778 1.00 23.34 C ATOM 413 CG1 VAL A 24 -0.529 -0.038 7.288 1.00 44.41 C ATOM 414 CG2 VAL A 24 1.852 0.650 7.912 1.00 3.12 C ATOM 0 H VAL A 24 3.218 -0.090 5.695 1.00 20.21 H new ATOM 0 HA VAL A 24 1.449 -1.980 6.947 1.00 43.30 H new ATOM 0 HB VAL A 24 0.908 0.863 5.975 1.00 23.34 H new ATOM 0 HG11 VAL A 24 -0.880 0.909 7.697 1.00 44.41 H new ATOM 0 HG12 VAL A 24 -1.173 -0.337 6.461 1.00 44.41 H new ATOM 0 HG13 VAL A 24 -0.559 -0.802 8.065 1.00 44.41 H new ATOM 0 HG21 VAL A 24 1.442 1.575 8.317 1.00 3.12 H new ATOM 0 HG22 VAL A 24 1.915 -0.096 8.704 1.00 3.12 H new ATOM 0 HG23 VAL A 24 2.848 0.839 7.512 1.00 3.12 H new ATOM 424 N ILE A 25 1.014 -1.296 3.734 1.00 21.40 N ATOM 425 CA ILE A 25 0.372 -1.810 2.490 1.00 65.11 C ATOM 426 C ILE A 25 0.531 -3.348 2.398 1.00 64.23 C ATOM 427 O ILE A 25 -0.442 -4.066 2.151 1.00 51.20 O ATOM 428 CB ILE A 25 0.941 -1.128 1.183 1.00 44.31 C ATOM 429 CG1 ILE A 25 0.759 0.420 1.247 1.00 2.14 C ATOM 430 CG2 ILE A 25 0.285 -1.707 -0.106 1.00 11.13 C ATOM 431 CD1 ILE A 25 1.327 1.187 0.056 1.00 41.23 C ATOM 0 H ILE A 25 1.761 -0.622 3.567 1.00 21.40 H new ATOM 0 HA ILE A 25 -0.686 -1.553 2.552 1.00 65.11 H new ATOM 0 HB ILE A 25 2.007 -1.352 1.135 1.00 44.31 H new ATOM 0 HG12 ILE A 25 -0.305 0.642 1.329 1.00 2.14 H new ATOM 0 HG13 ILE A 25 1.233 0.789 2.157 1.00 2.14 H new ATOM 0 HG21 ILE A 25 0.704 -1.211 -0.982 1.00 11.13 H new ATOM 0 HG22 ILE A 25 0.483 -2.777 -0.166 1.00 11.13 H new ATOM 0 HG23 ILE A 25 -0.791 -1.538 -0.074 1.00 11.13 H new ATOM 0 HD11 ILE A 25 1.151 2.254 0.193 1.00 41.23 H new ATOM 0 HD12 ILE A 25 2.399 1.002 -0.018 1.00 41.23 H new ATOM 0 HD13 ILE A 25 0.837 0.853 -0.859 1.00 41.23 H new ATOM 443 N LEU A 26 1.768 -3.828 2.639 1.00 12.40 N ATOM 444 CA LEU A 26 2.093 -5.272 2.699 1.00 4.45 C ATOM 445 C LEU A 26 1.225 -6.021 3.748 1.00 33.54 C ATOM 446 O LEU A 26 0.774 -7.143 3.499 1.00 63.02 O ATOM 447 CB LEU A 26 3.604 -5.459 3.023 1.00 22.11 C ATOM 448 CG LEU A 26 4.603 -4.971 1.923 1.00 51.54 C ATOM 449 CD1 LEU A 26 6.064 -5.052 2.415 1.00 25.10 C ATOM 450 CD2 LEU A 26 4.408 -5.763 0.609 1.00 71.14 C ATOM 0 H LEU A 26 2.575 -3.224 2.798 1.00 12.40 H new ATOM 0 HA LEU A 26 1.870 -5.704 1.723 1.00 4.45 H new ATOM 0 HB2 LEU A 26 3.826 -4.929 3.949 1.00 22.11 H new ATOM 0 HB3 LEU A 26 3.788 -6.517 3.210 1.00 22.11 H new ATOM 0 HG LEU A 26 4.386 -3.923 1.717 1.00 51.54 H new ATOM 0 HD11 LEU A 26 6.733 -4.706 1.627 1.00 25.10 H new ATOM 0 HD12 LEU A 26 6.186 -4.423 3.297 1.00 25.10 H new ATOM 0 HD13 LEU A 26 6.306 -6.084 2.669 1.00 25.10 H new ATOM 0 HD21 LEU A 26 5.114 -5.405 -0.140 1.00 71.14 H new ATOM 0 HD22 LEU A 26 4.582 -6.823 0.794 1.00 71.14 H new ATOM 0 HD23 LEU A 26 3.390 -5.620 0.246 1.00 71.14 H new ATOM 462 N LEU A 27 0.981 -5.365 4.897 1.00 44.53 N ATOM 463 CA LEU A 27 0.164 -5.924 5.997 1.00 44.35 C ATOM 464 C LEU A 27 -1.312 -6.150 5.561 1.00 61.53 C ATOM 465 O LEU A 27 -1.794 -7.287 5.568 1.00 45.43 O ATOM 466 CB LEU A 27 0.230 -4.988 7.235 1.00 42.33 C ATOM 467 CG LEU A 27 -0.536 -5.461 8.513 1.00 72.52 C ATOM 468 CD1 LEU A 27 0.047 -6.776 9.079 1.00 2.53 C ATOM 469 CD2 LEU A 27 -0.569 -4.344 9.583 1.00 35.12 C ATOM 0 H LEU A 27 1.344 -4.432 5.092 1.00 44.53 H new ATOM 0 HA LEU A 27 0.577 -6.897 6.261 1.00 44.35 H new ATOM 0 HB2 LEU A 27 1.278 -4.846 7.499 1.00 42.33 H new ATOM 0 HB3 LEU A 27 -0.161 -4.012 6.945 1.00 42.33 H new ATOM 0 HG LEU A 27 -1.565 -5.672 8.221 1.00 72.52 H new ATOM 0 HD11 LEU A 27 -0.513 -7.070 9.966 1.00 2.53 H new ATOM 0 HD12 LEU A 27 -0.027 -7.561 8.326 1.00 2.53 H new ATOM 0 HD13 LEU A 27 1.094 -6.626 9.344 1.00 2.53 H new ATOM 0 HD21 LEU A 27 -1.107 -4.698 10.462 1.00 35.12 H new ATOM 0 HD22 LEU A 27 0.450 -4.079 9.864 1.00 35.12 H new ATOM 0 HD23 LEU A 27 -1.073 -3.467 9.178 1.00 35.12 H new ATOM 481 N GLU A 28 -1.994 -5.069 5.138 1.00 30.44 N ATOM 482 CA GLU A 28 -3.436 -5.105 4.778 1.00 22.50 C ATOM 483 C GLU A 28 -3.720 -5.886 3.473 1.00 15.01 C ATOM 484 O GLU A 28 -4.843 -6.359 3.258 1.00 13.23 O ATOM 485 CB GLU A 28 -4.001 -3.665 4.692 1.00 62.14 C ATOM 486 CG GLU A 28 -3.831 -2.843 5.987 1.00 41.45 C ATOM 487 CD GLU A 28 -4.485 -3.499 7.221 1.00 2.53 C ATOM 488 OE1 GLU A 28 -5.718 -3.382 7.388 1.00 63.22 O ATOM 489 OE2 GLU A 28 -3.777 -4.158 8.010 1.00 24.12 O ATOM 0 H GLU A 28 -1.569 -4.147 5.034 1.00 30.44 H new ATOM 0 HA GLU A 28 -3.946 -5.648 5.573 1.00 22.50 H new ATOM 0 HB2 GLU A 28 -3.507 -3.141 3.874 1.00 62.14 H new ATOM 0 HB3 GLU A 28 -5.061 -3.716 4.444 1.00 62.14 H new ATOM 0 HG2 GLU A 28 -2.768 -2.701 6.181 1.00 41.45 H new ATOM 0 HG3 GLU A 28 -4.263 -1.853 5.839 1.00 41.45 H new ATOM 496 N CYS A 29 -2.696 -6.025 2.609 1.00 41.51 N ATOM 497 CA CYS A 29 -2.789 -6.876 1.388 1.00 31.12 C ATOM 498 C CYS A 29 -2.841 -8.380 1.750 1.00 43.33 C ATOM 499 O CYS A 29 -3.425 -9.176 1.020 1.00 42.44 O ATOM 500 CB CYS A 29 -1.640 -6.584 0.394 1.00 4.20 C ATOM 501 SG CYS A 29 -1.810 -5.002 -0.470 1.00 25.30 S ATOM 0 H CYS A 29 -1.794 -5.564 2.726 1.00 41.51 H new ATOM 0 HA CYS A 29 -3.724 -6.619 0.891 1.00 31.12 H new ATOM 0 HB2 CYS A 29 -0.693 -6.593 0.934 1.00 4.20 H new ATOM 0 HB3 CYS A 29 -1.595 -7.387 -0.342 1.00 4.20 H new ATOM 0 HG CYS A 29 -1.286 -4.056 0.250 1.00 25.30 H new ATOM 507 N GLN A 30 -2.205 -8.760 2.875 1.00 75.32 N ATOM 508 CA GLN A 30 -2.265 -10.145 3.409 1.00 22.55 C ATOM 509 C GLN A 30 -3.537 -10.354 4.273 1.00 54.45 C ATOM 510 O GLN A 30 -4.172 -11.416 4.212 1.00 34.34 O ATOM 511 CB GLN A 30 -0.980 -10.460 4.227 1.00 15.34 C ATOM 512 CG GLN A 30 0.336 -10.329 3.427 1.00 10.34 C ATOM 513 CD GLN A 30 0.390 -11.231 2.193 1.00 13.32 C ATOM 514 OE1 GLN A 30 0.822 -12.376 2.261 1.00 24.15 O ATOM 515 NE2 GLN A 30 -0.052 -10.721 1.060 1.00 45.33 N ATOM 0 H GLN A 30 -1.639 -8.126 3.439 1.00 75.32 H new ATOM 0 HA GLN A 30 -2.319 -10.837 2.568 1.00 22.55 H new ATOM 0 HB2 GLN A 30 -0.937 -9.789 5.085 1.00 15.34 H new ATOM 0 HB3 GLN A 30 -1.053 -11.475 4.619 1.00 15.34 H new ATOM 0 HG2 GLN A 30 0.461 -9.292 3.115 1.00 10.34 H new ATOM 0 HG3 GLN A 30 1.175 -10.569 4.080 1.00 10.34 H new ATOM 0 HE21 GLN A 30 -0.406 -9.765 1.035 1.00 45.33 H new ATOM 0 HE22 GLN A 30 -0.040 -11.283 0.209 1.00 45.33 H new ATOM 524 N LYS A 31 -3.893 -9.323 5.064 1.00 20.12 N ATOM 525 CA LYS A 31 -5.096 -9.323 5.938 1.00 35.31 C ATOM 526 C LYS A 31 -6.406 -9.471 5.116 1.00 34.10 C ATOM 527 O LYS A 31 -7.124 -10.472 5.232 1.00 50.52 O ATOM 528 CB LYS A 31 -5.141 -8.006 6.770 1.00 5.02 C ATOM 529 CG LYS A 31 -4.048 -7.867 7.852 1.00 71.21 C ATOM 530 CD LYS A 31 -4.259 -8.834 9.042 1.00 2.21 C ATOM 531 CE LYS A 31 -3.248 -8.612 10.177 1.00 31.03 C ATOM 532 NZ LYS A 31 -3.558 -9.453 11.358 1.00 75.54 N ATOM 0 H LYS A 31 -3.354 -8.459 5.119 1.00 20.12 H new ATOM 0 HA LYS A 31 -5.024 -10.182 6.606 1.00 35.31 H new ATOM 0 HB2 LYS A 31 -5.060 -7.161 6.086 1.00 5.02 H new ATOM 0 HB3 LYS A 31 -6.116 -7.934 7.252 1.00 5.02 H new ATOM 0 HG2 LYS A 31 -3.073 -8.056 7.404 1.00 71.21 H new ATOM 0 HG3 LYS A 31 -4.036 -6.841 8.220 1.00 71.21 H new ATOM 0 HD2 LYS A 31 -5.269 -8.708 9.432 1.00 2.21 H new ATOM 0 HD3 LYS A 31 -4.180 -9.862 8.687 1.00 2.21 H new ATOM 0 HE2 LYS A 31 -2.244 -8.841 9.820 1.00 31.03 H new ATOM 0 HE3 LYS A 31 -3.251 -7.561 10.467 1.00 31.03 H new ATOM 0 HZ1 LYS A 31 -2.855 -9.277 12.104 1.00 75.54 H new ATOM 0 HZ2 LYS A 31 -4.506 -9.217 11.713 1.00 75.54 H new ATOM 0 HZ3 LYS A 31 -3.530 -10.457 11.086 1.00 75.54 H new ATOM 546 N ARG A 32 -6.680 -8.464 4.279 1.00 15.01 N ATOM 547 CA ARG A 32 -7.936 -8.360 3.500 1.00 62.12 C ATOM 548 C ARG A 32 -7.786 -9.031 2.117 1.00 44.04 C ATOM 549 O ARG A 32 -8.592 -9.882 1.723 1.00 2.05 O ATOM 550 CB ARG A 32 -8.297 -6.855 3.322 1.00 70.55 C ATOM 551 CG ARG A 32 -8.151 -6.017 4.614 1.00 13.12 C ATOM 552 CD ARG A 32 -8.398 -4.514 4.392 1.00 23.53 C ATOM 553 NE ARG A 32 -8.078 -3.737 5.600 1.00 52.22 N ATOM 554 CZ ARG A 32 -8.923 -3.043 6.323 1.00 33.14 C ATOM 555 NH1 ARG A 32 -10.168 -2.929 5.992 1.00 32.43 N ATOM 556 NH2 ARG A 32 -8.498 -2.460 7.387 1.00 32.23 N ATOM 0 H ARG A 32 -6.037 -7.689 4.116 1.00 15.01 H new ATOM 0 HA ARG A 32 -8.731 -8.874 4.040 1.00 62.12 H new ATOM 0 HB2 ARG A 32 -7.658 -6.427 2.549 1.00 70.55 H new ATOM 0 HB3 ARG A 32 -9.324 -6.778 2.965 1.00 70.55 H new ATOM 0 HG2 ARG A 32 -8.853 -6.388 5.361 1.00 13.12 H new ATOM 0 HG3 ARG A 32 -7.149 -6.158 5.020 1.00 13.12 H new ATOM 0 HD2 ARG A 32 -7.790 -4.162 3.559 1.00 23.53 H new ATOM 0 HD3 ARG A 32 -9.440 -4.351 4.117 1.00 23.53 H new ATOM 0 HE ARG A 32 -7.104 -3.739 5.904 1.00 52.22 H new ATOM 0 HH11 ARG A 32 -10.515 -3.386 5.149 1.00 32.43 H new ATOM 0 HH12 ARG A 32 -10.803 -2.382 6.574 1.00 32.43 H new ATOM 0 HH21 ARG A 32 -7.518 -2.542 7.656 1.00 32.23 H new ATOM 0 HH22 ARG A 32 -9.141 -1.916 7.962 1.00 32.23 H new ATOM 570 N GLY A 33 -6.727 -8.626 1.398 1.00 34.11 N ATOM 571 CA GLY A 33 -6.493 -9.032 0.004 1.00 22.13 C ATOM 572 C GLY A 33 -6.175 -7.823 -0.885 1.00 22.22 C ATOM 573 O GLY A 33 -6.681 -6.727 -0.611 1.00 23.43 O ATOM 0 H GLY A 33 -6.007 -8.006 1.769 1.00 34.11 H new ATOM 0 HA2 GLY A 33 -5.667 -9.742 -0.036 1.00 22.13 H new ATOM 0 HA3 GLY A 33 -7.374 -9.546 -0.380 1.00 22.13 H new ATOM 577 N PRO A 34 -5.313 -7.964 -1.945 1.00 5.22 N ATOM 578 CA PRO A 34 -5.030 -6.864 -2.910 1.00 73.42 C ATOM 579 C PRO A 34 -6.307 -6.397 -3.671 1.00 21.44 C ATOM 580 O PRO A 34 -6.715 -7.008 -4.666 1.00 13.22 O ATOM 581 CB PRO A 34 -3.974 -7.481 -3.871 1.00 45.12 C ATOM 582 CG PRO A 34 -3.387 -8.628 -3.102 1.00 33.00 C ATOM 583 CD PRO A 34 -4.526 -9.180 -2.274 1.00 13.03 C ATOM 0 HA PRO A 34 -4.673 -5.961 -2.414 1.00 73.42 H new ATOM 0 HB2 PRO A 34 -4.433 -7.820 -4.800 1.00 45.12 H new ATOM 0 HB3 PRO A 34 -3.210 -6.752 -4.141 1.00 45.12 H new ATOM 0 HG2 PRO A 34 -2.985 -9.387 -3.774 1.00 33.00 H new ATOM 0 HG3 PRO A 34 -2.565 -8.296 -2.468 1.00 33.00 H new ATOM 0 HD2 PRO A 34 -5.117 -9.906 -2.832 1.00 13.03 H new ATOM 0 HD3 PRO A 34 -4.167 -9.684 -1.377 1.00 13.03 H new ATOM 591 N SER A 35 -6.941 -5.329 -3.155 1.00 14.02 N ATOM 592 CA SER A 35 -8.222 -4.792 -3.678 1.00 23.03 C ATOM 593 C SER A 35 -8.275 -3.260 -3.510 1.00 61.43 C ATOM 594 O SER A 35 -7.593 -2.704 -2.646 1.00 61.21 O ATOM 595 CB SER A 35 -9.417 -5.452 -2.938 1.00 52.53 C ATOM 596 OG SER A 35 -10.665 -4.956 -3.400 1.00 72.14 O ATOM 0 H SER A 35 -6.581 -4.806 -2.357 1.00 14.02 H new ATOM 0 HA SER A 35 -8.289 -5.026 -4.740 1.00 23.03 H new ATOM 0 HB2 SER A 35 -9.380 -6.532 -3.080 1.00 52.53 H new ATOM 0 HB3 SER A 35 -9.327 -5.268 -1.867 1.00 52.53 H new ATOM 0 HG SER A 35 -11.391 -5.503 -3.033 1.00 72.14 H new ATOM 602 N SER A 36 -9.108 -2.586 -4.329 1.00 50.04 N ATOM 603 CA SER A 36 -9.239 -1.102 -4.327 1.00 52.24 C ATOM 604 C SER A 36 -9.827 -0.564 -3.002 1.00 64.44 C ATOM 605 O SER A 36 -9.492 0.543 -2.577 1.00 0.15 O ATOM 606 CB SER A 36 -10.105 -0.635 -5.514 1.00 73.53 C ATOM 607 OG SER A 36 -11.411 -1.181 -5.448 1.00 32.21 O ATOM 0 H SER A 36 -9.710 -3.047 -5.011 1.00 50.04 H new ATOM 0 HA SER A 36 -8.233 -0.695 -4.428 1.00 52.24 H new ATOM 0 HB2 SER A 36 -10.164 0.453 -5.517 1.00 73.53 H new ATOM 0 HB3 SER A 36 -9.632 -0.931 -6.450 1.00 73.53 H new ATOM 0 HG SER A 36 -11.936 -0.866 -6.213 1.00 32.21 H new ATOM 613 N LYS A 37 -10.709 -1.360 -2.363 1.00 43.22 N ATOM 614 CA LYS A 37 -11.283 -1.037 -1.024 1.00 21.42 C ATOM 615 C LYS A 37 -10.217 -1.149 0.101 1.00 44.13 C ATOM 616 O LYS A 37 -10.311 -0.475 1.132 1.00 72.34 O ATOM 617 CB LYS A 37 -12.491 -1.963 -0.721 1.00 50.13 C ATOM 618 CG LYS A 37 -12.156 -3.474 -0.695 1.00 12.04 C ATOM 619 CD LYS A 37 -13.400 -4.358 -0.456 1.00 62.21 C ATOM 620 CE LYS A 37 -13.069 -5.858 -0.425 1.00 30.42 C ATOM 621 NZ LYS A 37 -14.283 -6.683 -0.187 1.00 31.55 N ATOM 0 H LYS A 37 -11.047 -2.241 -2.751 1.00 43.22 H new ATOM 0 HA LYS A 37 -11.625 -0.002 -1.050 1.00 21.42 H new ATOM 0 HB2 LYS A 37 -12.914 -1.682 0.243 1.00 50.13 H new ATOM 0 HB3 LYS A 37 -13.263 -1.788 -1.471 1.00 50.13 H new ATOM 0 HG2 LYS A 37 -11.692 -3.755 -1.640 1.00 12.04 H new ATOM 0 HG3 LYS A 37 -11.423 -3.666 0.089 1.00 12.04 H new ATOM 0 HD2 LYS A 37 -13.866 -4.074 0.488 1.00 62.21 H new ATOM 0 HD3 LYS A 37 -14.131 -4.168 -1.242 1.00 62.21 H new ATOM 0 HE2 LYS A 37 -12.610 -6.149 -1.370 1.00 30.42 H new ATOM 0 HE3 LYS A 37 -12.337 -6.053 0.358 1.00 30.42 H new ATOM 0 HZ1 LYS A 37 -14.021 -7.689 -0.172 1.00 31.55 H new ATOM 0 HZ2 LYS A 37 -14.706 -6.422 0.726 1.00 31.55 H new ATOM 0 HZ3 LYS A 37 -14.971 -6.515 -0.948 1.00 31.55 H new ATOM 635 N THR A 38 -9.196 -1.996 -0.129 1.00 0.15 N ATOM 636 CA THR A 38 -8.060 -2.186 0.800 1.00 14.25 C ATOM 637 C THR A 38 -7.081 -1.010 0.647 1.00 72.10 C ATOM 638 O THR A 38 -6.594 -0.457 1.632 1.00 12.34 O ATOM 639 CB THR A 38 -7.334 -3.547 0.509 1.00 24.43 C ATOM 640 OG1 THR A 38 -8.259 -4.632 0.695 1.00 1.54 O ATOM 641 CG2 THR A 38 -6.085 -3.766 1.389 1.00 3.44 C ATOM 0 H THR A 38 -9.133 -2.572 -0.968 1.00 0.15 H new ATOM 0 HA THR A 38 -8.432 -2.215 1.824 1.00 14.25 H new ATOM 0 HB THR A 38 -6.988 -3.513 -0.524 1.00 24.43 H new ATOM 0 HG1 THR A 38 -7.887 -5.450 0.304 1.00 1.54 H new ATOM 0 HG21 THR A 38 -5.628 -4.724 1.140 1.00 3.44 H new ATOM 0 HG22 THR A 38 -5.368 -2.964 1.210 1.00 3.44 H new ATOM 0 HG23 THR A 38 -6.375 -3.765 2.440 1.00 3.44 H new ATOM 649 N PHE A 39 -6.832 -0.632 -0.621 1.00 54.50 N ATOM 650 CA PHE A 39 -6.041 0.556 -0.987 1.00 52.25 C ATOM 651 C PHE A 39 -6.729 1.861 -0.508 1.00 73.04 C ATOM 652 O PHE A 39 -6.054 2.859 -0.250 1.00 3.42 O ATOM 653 CB PHE A 39 -5.820 0.591 -2.523 1.00 13.50 C ATOM 654 CG PHE A 39 -5.099 -0.630 -3.110 1.00 64.32 C ATOM 655 CD1 PHE A 39 -4.099 -1.300 -2.397 1.00 22.23 C ATOM 656 CD2 PHE A 39 -5.416 -1.101 -4.388 1.00 70.55 C ATOM 657 CE1 PHE A 39 -3.454 -2.398 -2.939 1.00 65.23 C ATOM 658 CE2 PHE A 39 -4.769 -2.198 -4.925 1.00 63.42 C ATOM 659 CZ PHE A 39 -3.791 -2.846 -4.201 1.00 33.45 C ATOM 0 H PHE A 39 -7.179 -1.150 -1.429 1.00 54.50 H new ATOM 0 HA PHE A 39 -5.074 0.490 -0.488 1.00 52.25 H new ATOM 0 HB2 PHE A 39 -6.790 0.689 -3.011 1.00 13.50 H new ATOM 0 HB3 PHE A 39 -5.247 1.485 -2.771 1.00 13.50 H new ATOM 0 HD1 PHE A 39 -3.827 -0.956 -1.410 1.00 22.23 H new ATOM 0 HD2 PHE A 39 -6.179 -0.599 -4.965 1.00 70.55 H new ATOM 0 HE1 PHE A 39 -2.686 -2.905 -2.374 1.00 65.23 H new ATOM 0 HE2 PHE A 39 -5.030 -2.548 -5.913 1.00 63.42 H new ATOM 0 HZ PHE A 39 -3.288 -3.705 -4.621 1.00 33.45 H new ATOM 669 N ALA A 40 -8.079 1.836 -0.417 1.00 34.33 N ATOM 670 CA ALA A 40 -8.881 2.964 0.110 1.00 33.44 C ATOM 671 C ALA A 40 -8.668 3.150 1.630 1.00 34.35 C ATOM 672 O ALA A 40 -8.549 4.284 2.110 1.00 24.11 O ATOM 673 CB ALA A 40 -10.367 2.764 -0.214 1.00 45.14 C ATOM 0 H ALA A 40 -8.641 1.036 -0.706 1.00 34.33 H new ATOM 0 HA ALA A 40 -8.539 3.875 -0.381 1.00 33.44 H new ATOM 0 HB1 ALA A 40 -10.941 3.602 0.181 1.00 45.14 H new ATOM 0 HB2 ALA A 40 -10.500 2.710 -1.295 1.00 45.14 H new ATOM 0 HB3 ALA A 40 -10.717 1.838 0.241 1.00 45.14 H new ATOM 679 N TYR A 41 -8.634 2.029 2.377 1.00 50.21 N ATOM 680 CA TYR A 41 -8.259 2.040 3.812 1.00 32.22 C ATOM 681 C TYR A 41 -6.825 2.597 3.994 1.00 22.12 C ATOM 682 O TYR A 41 -6.586 3.482 4.818 1.00 11.22 O ATOM 683 CB TYR A 41 -8.362 0.617 4.420 1.00 0.15 C ATOM 684 CG TYR A 41 -7.862 0.528 5.873 1.00 3.11 C ATOM 685 CD1 TYR A 41 -8.654 0.980 6.935 1.00 70.13 C ATOM 686 CD2 TYR A 41 -6.591 0.014 6.184 1.00 61.54 C ATOM 687 CE1 TYR A 41 -8.199 0.926 8.241 1.00 35.11 C ATOM 688 CE2 TYR A 41 -6.141 -0.039 7.489 1.00 41.35 C ATOM 689 CZ TYR A 41 -6.946 0.412 8.512 1.00 34.52 C ATOM 690 OH TYR A 41 -6.497 0.356 9.811 1.00 60.24 O ATOM 0 H TYR A 41 -8.861 1.103 2.014 1.00 50.21 H new ATOM 0 HA TYR A 41 -8.957 2.691 4.339 1.00 32.22 H new ATOM 0 HB2 TYR A 41 -9.401 0.289 4.382 1.00 0.15 H new ATOM 0 HB3 TYR A 41 -7.787 -0.074 3.804 1.00 0.15 H new ATOM 0 HD1 TYR A 41 -9.637 1.378 6.732 1.00 70.13 H new ATOM 0 HD2 TYR A 41 -5.955 -0.346 5.389 1.00 61.54 H new ATOM 0 HE1 TYR A 41 -8.822 1.285 9.047 1.00 35.11 H new ATOM 0 HE2 TYR A 41 -5.160 -0.433 7.707 1.00 41.35 H new ATOM 0 HH TYR A 41 -5.598 -0.033 9.830 1.00 60.24 H new ATOM 700 N LEU A 42 -5.894 2.052 3.199 1.00 33.21 N ATOM 701 CA LEU A 42 -4.469 2.452 3.179 1.00 53.20 C ATOM 702 C LEU A 42 -4.265 3.915 2.720 1.00 63.44 C ATOM 703 O LEU A 42 -3.254 4.534 3.043 1.00 23.51 O ATOM 704 CB LEU A 42 -3.697 1.475 2.266 1.00 74.23 C ATOM 705 CG LEU A 42 -3.565 0.020 2.814 1.00 43.32 C ATOM 706 CD1 LEU A 42 -3.124 -0.969 1.710 1.00 62.25 C ATOM 707 CD2 LEU A 42 -2.604 -0.004 4.024 1.00 63.13 C ATOM 0 H LEU A 42 -6.108 1.306 2.537 1.00 33.21 H new ATOM 0 HA LEU A 42 -4.084 2.402 4.197 1.00 53.20 H new ATOM 0 HB2 LEU A 42 -4.195 1.438 1.297 1.00 74.23 H new ATOM 0 HB3 LEU A 42 -2.697 1.875 2.096 1.00 74.23 H new ATOM 0 HG LEU A 42 -4.547 -0.311 3.151 1.00 43.32 H new ATOM 0 HD11 LEU A 42 -3.043 -1.971 2.131 1.00 62.25 H new ATOM 0 HD12 LEU A 42 -3.861 -0.971 0.907 1.00 62.25 H new ATOM 0 HD13 LEU A 42 -2.156 -0.663 1.313 1.00 62.25 H new ATOM 0 HD21 LEU A 42 -2.518 -1.023 4.400 1.00 63.13 H new ATOM 0 HD22 LEU A 42 -1.621 0.353 3.715 1.00 63.13 H new ATOM 0 HD23 LEU A 42 -2.994 0.641 4.811 1.00 63.13 H new ATOM 719 N ALA A 43 -5.229 4.451 1.960 1.00 64.43 N ATOM 720 CA ALA A 43 -5.256 5.876 1.578 1.00 73.12 C ATOM 721 C ALA A 43 -5.462 6.769 2.817 1.00 63.33 C ATOM 722 O ALA A 43 -4.665 7.674 3.087 1.00 54.11 O ATOM 723 CB ALA A 43 -6.358 6.118 0.541 1.00 55.44 C ATOM 0 H ALA A 43 -6.013 3.913 1.591 1.00 64.43 H new ATOM 0 HA ALA A 43 -4.296 6.139 1.134 1.00 73.12 H new ATOM 0 HB1 ALA A 43 -6.372 7.172 0.264 1.00 55.44 H new ATOM 0 HB2 ALA A 43 -6.164 5.513 -0.344 1.00 55.44 H new ATOM 0 HB3 ALA A 43 -7.323 5.842 0.965 1.00 55.44 H new ATOM 729 N ALA A 44 -6.530 6.480 3.579 1.00 23.03 N ATOM 730 CA ALA A 44 -6.857 7.204 4.830 1.00 21.24 C ATOM 731 C ALA A 44 -5.774 6.976 5.925 1.00 14.12 C ATOM 732 O ALA A 44 -5.451 7.889 6.692 1.00 25.40 O ATOM 733 CB ALA A 44 -8.243 6.773 5.330 1.00 21.12 C ATOM 0 H ALA A 44 -7.193 5.740 3.350 1.00 23.03 H new ATOM 0 HA ALA A 44 -6.873 8.272 4.614 1.00 21.24 H new ATOM 0 HB1 ALA A 44 -8.480 7.307 6.250 1.00 21.12 H new ATOM 0 HB2 ALA A 44 -8.991 7.005 4.572 1.00 21.12 H new ATOM 0 HB3 ALA A 44 -8.243 5.700 5.523 1.00 21.12 H new ATOM 739 N LYS A 45 -5.212 5.754 5.945 1.00 75.42 N ATOM 740 CA LYS A 45 -4.169 5.324 6.907 1.00 31.31 C ATOM 741 C LYS A 45 -2.834 6.089 6.687 1.00 25.43 C ATOM 742 O LYS A 45 -2.257 6.637 7.629 1.00 64.32 O ATOM 743 CB LYS A 45 -3.959 3.784 6.762 1.00 12.35 C ATOM 744 CG LYS A 45 -2.842 3.156 7.631 1.00 71.40 C ATOM 745 CD LYS A 45 -3.080 3.305 9.153 1.00 42.33 C ATOM 746 CE LYS A 45 -1.956 2.657 9.982 1.00 62.32 C ATOM 747 NZ LYS A 45 -2.159 2.836 11.442 1.00 2.23 N ATOM 0 H LYS A 45 -5.471 5.022 5.284 1.00 75.42 H new ATOM 0 HA LYS A 45 -4.501 5.558 7.918 1.00 31.31 H new ATOM 0 HB2 LYS A 45 -4.899 3.287 7.002 1.00 12.35 H new ATOM 0 HB3 LYS A 45 -3.742 3.566 5.716 1.00 12.35 H new ATOM 0 HG2 LYS A 45 -2.757 2.097 7.388 1.00 71.40 H new ATOM 0 HG3 LYS A 45 -1.890 3.620 7.374 1.00 71.40 H new ATOM 0 HD2 LYS A 45 -3.153 4.363 9.406 1.00 42.33 H new ATOM 0 HD3 LYS A 45 -4.034 2.848 9.417 1.00 42.33 H new ATOM 0 HE2 LYS A 45 -1.905 1.593 9.752 1.00 62.32 H new ATOM 0 HE3 LYS A 45 -0.999 3.091 9.694 1.00 62.32 H new ATOM 0 HZ1 LYS A 45 -1.378 2.384 11.959 1.00 2.23 H new ATOM 0 HZ2 LYS A 45 -2.181 3.851 11.668 1.00 2.23 H new ATOM 0 HZ3 LYS A 45 -3.060 2.399 11.723 1.00 2.23 H new ATOM 761 N LEU A 46 -2.368 6.130 5.425 1.00 25.43 N ATOM 762 CA LEU A 46 -1.034 6.681 5.065 1.00 44.15 C ATOM 763 C LEU A 46 -1.094 8.162 4.600 1.00 45.34 C ATOM 764 O LEU A 46 -0.045 8.745 4.305 1.00 14.33 O ATOM 765 CB LEU A 46 -0.399 5.796 3.958 1.00 45.43 C ATOM 766 CG LEU A 46 -0.311 4.268 4.278 1.00 21.34 C ATOM 767 CD1 LEU A 46 0.288 3.489 3.097 1.00 12.54 C ATOM 768 CD2 LEU A 46 0.462 3.997 5.589 1.00 31.33 C ATOM 0 H LEU A 46 -2.898 5.785 4.624 1.00 25.43 H new ATOM 0 HA LEU A 46 -0.419 6.666 5.965 1.00 44.15 H new ATOM 0 HB2 LEU A 46 -0.975 5.924 3.042 1.00 45.43 H new ATOM 0 HB3 LEU A 46 0.607 6.165 3.756 1.00 45.43 H new ATOM 0 HG LEU A 46 -1.328 3.908 4.431 1.00 21.34 H new ATOM 0 HD11 LEU A 46 0.337 2.429 3.348 1.00 12.54 H new ATOM 0 HD12 LEU A 46 -0.339 3.625 2.216 1.00 12.54 H new ATOM 0 HD13 LEU A 46 1.292 3.859 2.888 1.00 12.54 H new ATOM 0 HD21 LEU A 46 0.500 2.923 5.774 1.00 31.33 H new ATOM 0 HD22 LEU A 46 1.476 4.386 5.500 1.00 31.33 H new ATOM 0 HD23 LEU A 46 -0.044 4.490 6.419 1.00 31.33 H new ATOM 780 N ASP A 47 -2.329 8.731 4.540 1.00 42.25 N ATOM 781 CA ASP A 47 -2.638 10.136 4.097 1.00 12.40 C ATOM 782 C ASP A 47 -2.663 10.305 2.549 1.00 40.22 C ATOM 783 O ASP A 47 -2.948 11.401 2.050 1.00 0.11 O ATOM 784 CB ASP A 47 -1.698 11.203 4.741 1.00 72.21 C ATOM 785 CG ASP A 47 -1.702 11.184 6.279 1.00 71.12 C ATOM 786 OD1 ASP A 47 -2.740 11.515 6.881 1.00 61.15 O ATOM 787 OD2 ASP A 47 -0.665 10.838 6.891 1.00 74.42 O ATOM 0 H ASP A 47 -3.169 8.216 4.805 1.00 42.25 H new ATOM 0 HA ASP A 47 -3.649 10.317 4.464 1.00 12.40 H new ATOM 0 HB2 ASP A 47 -0.680 11.038 4.387 1.00 72.21 H new ATOM 0 HB3 ASP A 47 -1.998 12.193 4.398 1.00 72.21 H new ATOM 792 N LYS A 48 -2.390 9.222 1.793 1.00 55.55 N ATOM 793 CA LYS A 48 -2.373 9.260 0.302 1.00 63.24 C ATOM 794 C LYS A 48 -3.776 8.966 -0.314 1.00 64.01 C ATOM 795 O LYS A 48 -4.791 8.999 0.378 1.00 14.03 O ATOM 796 CB LYS A 48 -1.308 8.261 -0.264 1.00 41.00 C ATOM 797 CG LYS A 48 0.168 8.714 -0.122 1.00 43.31 C ATOM 798 CD LYS A 48 0.724 8.608 1.312 1.00 61.03 C ATOM 799 CE LYS A 48 2.195 9.038 1.408 1.00 11.10 C ATOM 800 NZ LYS A 48 2.735 8.920 2.789 1.00 32.23 N ATOM 0 H LYS A 48 -2.177 8.305 2.184 1.00 55.55 H new ATOM 0 HA LYS A 48 -2.098 10.274 0.012 1.00 63.24 H new ATOM 0 HB2 LYS A 48 -1.427 7.303 0.243 1.00 41.00 H new ATOM 0 HB3 LYS A 48 -1.519 8.091 -1.320 1.00 41.00 H new ATOM 0 HG2 LYS A 48 0.787 8.111 -0.786 1.00 43.31 H new ATOM 0 HG3 LYS A 48 0.254 9.747 -0.458 1.00 43.31 H new ATOM 0 HD2 LYS A 48 0.124 9.229 1.977 1.00 61.03 H new ATOM 0 HD3 LYS A 48 0.626 7.580 1.661 1.00 61.03 H new ATOM 0 HE2 LYS A 48 2.794 8.426 0.734 1.00 11.10 H new ATOM 0 HE3 LYS A 48 2.291 10.070 1.071 1.00 11.10 H new ATOM 0 HZ1 LYS A 48 3.774 8.905 2.755 1.00 32.23 H new ATOM 0 HZ2 LYS A 48 2.419 9.733 3.356 1.00 32.23 H new ATOM 0 HZ3 LYS A 48 2.390 8.040 3.223 1.00 32.23 H new ATOM 814 N ASN A 49 -3.812 8.732 -1.641 1.00 14.11 N ATOM 815 CA ASN A 49 -5.023 8.295 -2.379 1.00 33.44 C ATOM 816 C ASN A 49 -4.877 6.807 -2.815 1.00 44.22 C ATOM 817 O ASN A 49 -3.751 6.343 -3.005 1.00 14.51 O ATOM 818 CB ASN A 49 -5.247 9.230 -3.596 1.00 74.24 C ATOM 819 CG ASN A 49 -5.697 10.631 -3.169 1.00 20.22 C ATOM 820 OD1 ASN A 49 -6.886 10.907 -3.064 1.00 75.04 O ATOM 821 ND2 ASN A 49 -4.759 11.510 -2.882 1.00 10.31 N ATOM 0 H ASN A 49 -2.994 8.841 -2.241 1.00 14.11 H new ATOM 0 HA ASN A 49 -5.897 8.361 -1.731 1.00 33.44 H new ATOM 0 HB2 ASN A 49 -4.323 9.305 -4.170 1.00 74.24 H new ATOM 0 HB3 ASN A 49 -5.997 8.793 -4.255 1.00 74.24 H new ATOM 0 HD21 ASN A 49 -5.016 12.445 -2.564 1.00 10.31 H new ATOM 0 HD22 ASN A 49 -3.776 11.256 -2.977 1.00 10.31 H new ATOM 828 N PRO A 50 -6.021 6.037 -2.987 1.00 33.34 N ATOM 829 CA PRO A 50 -5.992 4.558 -3.242 1.00 44.22 C ATOM 830 C PRO A 50 -5.177 4.146 -4.488 1.00 2.54 C ATOM 831 O PRO A 50 -4.541 3.085 -4.507 1.00 1.41 O ATOM 832 CB PRO A 50 -7.490 4.190 -3.422 1.00 14.00 C ATOM 833 CG PRO A 50 -8.241 5.291 -2.739 1.00 74.21 C ATOM 834 CD PRO A 50 -7.426 6.540 -2.963 1.00 13.33 C ATOM 0 HA PRO A 50 -5.496 4.035 -2.424 1.00 44.22 H new ATOM 0 HB2 PRO A 50 -7.757 4.125 -4.477 1.00 14.00 H new ATOM 0 HB3 PRO A 50 -7.716 3.222 -2.976 1.00 14.00 H new ATOM 0 HG2 PRO A 50 -9.243 5.398 -3.154 1.00 74.21 H new ATOM 0 HG3 PRO A 50 -8.357 5.085 -1.675 1.00 74.21 H new ATOM 0 HD2 PRO A 50 -7.693 7.031 -3.899 1.00 13.33 H new ATOM 0 HD3 PRO A 50 -7.579 7.268 -2.166 1.00 13.33 H new ATOM 842 N ASN A 51 -5.209 5.002 -5.517 1.00 23.32 N ATOM 843 CA ASN A 51 -4.453 4.796 -6.769 1.00 22.13 C ATOM 844 C ASN A 51 -2.930 4.910 -6.536 1.00 14.44 C ATOM 845 O ASN A 51 -2.155 4.134 -7.091 1.00 65.24 O ATOM 846 CB ASN A 51 -4.914 5.808 -7.836 1.00 62.02 C ATOM 847 CG ASN A 51 -6.415 5.734 -8.095 1.00 1.03 C ATOM 848 OD1 ASN A 51 -7.197 6.475 -7.509 1.00 61.44 O ATOM 849 ND2 ASN A 51 -6.833 4.823 -8.944 1.00 5.41 N ATOM 0 H ASN A 51 -5.760 5.860 -5.509 1.00 23.32 H new ATOM 0 HA ASN A 51 -4.656 3.786 -7.125 1.00 22.13 H new ATOM 0 HB2 ASN A 51 -4.653 6.816 -7.514 1.00 62.02 H new ATOM 0 HB3 ASN A 51 -4.378 5.621 -8.766 1.00 62.02 H new ATOM 0 HD21 ASN A 51 -7.830 4.719 -9.130 1.00 5.41 H new ATOM 0 HD22 ASN A 51 -6.160 4.220 -9.417 1.00 5.41 H new ATOM 856 N GLN A 52 -2.523 5.879 -5.689 1.00 52.03 N ATOM 857 CA GLN A 52 -1.096 6.094 -5.320 1.00 73.24 C ATOM 858 C GLN A 52 -0.562 4.894 -4.507 1.00 72.30 C ATOM 859 O GLN A 52 0.572 4.431 -4.708 1.00 35.34 O ATOM 860 CB GLN A 52 -0.925 7.407 -4.505 1.00 64.21 C ATOM 861 CG GLN A 52 -1.623 8.639 -5.115 1.00 34.54 C ATOM 862 CD GLN A 52 -1.350 9.935 -4.344 1.00 51.21 C ATOM 863 OE1 GLN A 52 -2.042 10.257 -3.391 1.00 10.24 O ATOM 864 NE2 GLN A 52 -0.359 10.695 -4.757 1.00 63.24 N ATOM 0 H GLN A 52 -3.165 6.533 -5.241 1.00 52.03 H new ATOM 0 HA GLN A 52 -0.520 6.182 -6.241 1.00 73.24 H new ATOM 0 HB2 GLN A 52 -1.313 7.247 -3.499 1.00 64.21 H new ATOM 0 HB3 GLN A 52 0.139 7.621 -4.406 1.00 64.21 H new ATOM 0 HG2 GLN A 52 -1.292 8.762 -6.146 1.00 34.54 H new ATOM 0 HG3 GLN A 52 -2.698 8.461 -5.144 1.00 34.54 H new ATOM 0 HE21 GLN A 52 0.206 10.407 -5.555 1.00 63.24 H new ATOM 0 HE22 GLN A 52 -0.156 11.573 -4.279 1.00 63.24 H new ATOM 873 N VAL A 53 -1.409 4.418 -3.574 1.00 10.22 N ATOM 874 CA VAL A 53 -1.167 3.200 -2.773 1.00 62.24 C ATOM 875 C VAL A 53 -0.960 1.967 -3.685 1.00 12.30 C ATOM 876 O VAL A 53 -0.075 1.141 -3.434 1.00 65.05 O ATOM 877 CB VAL A 53 -2.369 2.949 -1.788 1.00 24.40 C ATOM 878 CG1 VAL A 53 -2.220 1.613 -1.024 1.00 62.45 C ATOM 879 CG2 VAL A 53 -2.539 4.133 -0.799 1.00 2.44 C ATOM 0 H VAL A 53 -2.294 4.875 -3.352 1.00 10.22 H new ATOM 0 HA VAL A 53 -0.257 3.351 -2.193 1.00 62.24 H new ATOM 0 HB VAL A 53 -3.271 2.879 -2.396 1.00 24.40 H new ATOM 0 HG11 VAL A 53 -3.070 1.479 -0.355 1.00 62.45 H new ATOM 0 HG12 VAL A 53 -2.185 0.789 -1.736 1.00 62.45 H new ATOM 0 HG13 VAL A 53 -1.299 1.628 -0.441 1.00 62.45 H new ATOM 0 HG21 VAL A 53 -3.377 3.932 -0.131 1.00 2.44 H new ATOM 0 HG22 VAL A 53 -1.628 4.251 -0.213 1.00 2.44 H new ATOM 0 HG23 VAL A 53 -2.732 5.049 -1.358 1.00 2.44 H new ATOM 889 N SER A 54 -1.780 1.879 -4.754 1.00 2.52 N ATOM 890 CA SER A 54 -1.699 0.785 -5.749 1.00 70.12 C ATOM 891 C SER A 54 -0.367 0.832 -6.537 1.00 23.54 C ATOM 892 O SER A 54 0.244 -0.204 -6.766 1.00 2.13 O ATOM 893 CB SER A 54 -2.893 0.837 -6.725 1.00 62.43 C ATOM 894 OG SER A 54 -2.864 -0.252 -7.639 1.00 0.10 O ATOM 0 H SER A 54 -2.513 2.560 -4.952 1.00 2.52 H new ATOM 0 HA SER A 54 -1.736 -0.155 -5.199 1.00 70.12 H new ATOM 0 HB2 SER A 54 -3.826 0.817 -6.162 1.00 62.43 H new ATOM 0 HB3 SER A 54 -2.874 1.777 -7.276 1.00 62.43 H new ATOM 0 HG SER A 54 -3.633 -0.193 -8.243 1.00 0.10 H new ATOM 900 N GLU A 55 0.085 2.050 -6.926 1.00 31.35 N ATOM 901 CA GLU A 55 1.388 2.249 -7.630 1.00 43.10 C ATOM 902 C GLU A 55 2.568 1.705 -6.786 1.00 23.34 C ATOM 903 O GLU A 55 3.395 0.929 -7.274 1.00 41.42 O ATOM 904 CB GLU A 55 1.616 3.755 -7.945 1.00 60.42 C ATOM 905 CG GLU A 55 0.538 4.387 -8.841 1.00 44.33 C ATOM 906 CD GLU A 55 0.772 5.883 -9.111 1.00 32.10 C ATOM 907 OE1 GLU A 55 0.689 6.690 -8.162 1.00 21.31 O ATOM 908 OE2 GLU A 55 1.029 6.268 -10.270 1.00 4.55 O ATOM 0 H GLU A 55 -0.431 2.915 -6.766 1.00 31.35 H new ATOM 0 HA GLU A 55 1.346 1.692 -8.566 1.00 43.10 H new ATOM 0 HB2 GLU A 55 1.660 4.307 -7.006 1.00 60.42 H new ATOM 0 HB3 GLU A 55 2.586 3.870 -8.429 1.00 60.42 H new ATOM 0 HG2 GLU A 55 0.507 3.854 -9.791 1.00 44.33 H new ATOM 0 HG3 GLU A 55 -0.437 4.258 -8.371 1.00 44.33 H new ATOM 915 N ARG A 56 2.594 2.109 -5.506 1.00 44.31 N ATOM 916 CA ARG A 56 3.592 1.659 -4.514 1.00 70.21 C ATOM 917 C ARG A 56 3.516 0.126 -4.273 1.00 43.30 C ATOM 918 O ARG A 56 4.542 -0.531 -4.131 1.00 32.23 O ATOM 919 CB ARG A 56 3.358 2.422 -3.191 1.00 23.43 C ATOM 920 CG ARG A 56 4.335 2.095 -2.034 1.00 71.51 C ATOM 921 CD ARG A 56 5.756 2.693 -2.190 1.00 14.41 C ATOM 922 NE ARG A 56 6.623 1.975 -3.147 1.00 15.11 N ATOM 923 CZ ARG A 56 7.757 1.371 -2.835 1.00 24.02 C ATOM 924 NH1 ARG A 56 8.146 1.266 -1.606 1.00 43.11 N ATOM 925 NH2 ARG A 56 8.498 0.880 -3.768 1.00 32.02 N ATOM 0 H ARG A 56 1.915 2.766 -5.123 1.00 44.31 H new ATOM 0 HA ARG A 56 4.588 1.873 -4.901 1.00 70.21 H new ATOM 0 HB2 ARG A 56 3.415 3.491 -3.397 1.00 23.43 H new ATOM 0 HB3 ARG A 56 2.343 2.217 -2.851 1.00 23.43 H new ATOM 0 HG2 ARG A 56 3.904 2.458 -1.101 1.00 71.51 H new ATOM 0 HG3 ARG A 56 4.420 1.012 -1.945 1.00 71.51 H new ATOM 0 HD2 ARG A 56 5.666 3.731 -2.509 1.00 14.41 H new ATOM 0 HD3 ARG A 56 6.242 2.701 -1.214 1.00 14.41 H new ATOM 0 HE ARG A 56 6.324 1.943 -4.122 1.00 15.11 H new ATOM 0 HH11 ARG A 56 7.574 1.653 -0.855 1.00 43.11 H new ATOM 0 HH12 ARG A 56 9.024 0.796 -1.388 1.00 43.11 H new ATOM 0 HH21 ARG A 56 8.209 0.958 -4.743 1.00 32.02 H new ATOM 0 HH22 ARG A 56 9.374 0.413 -3.531 1.00 32.02 H new ATOM 939 N PHE A 57 2.278 -0.408 -4.242 1.00 4.14 N ATOM 940 CA PHE A 57 1.987 -1.861 -4.082 1.00 23.43 C ATOM 941 C PHE A 57 2.685 -2.722 -5.165 1.00 35.04 C ATOM 942 O PHE A 57 3.348 -3.714 -4.852 1.00 42.41 O ATOM 943 CB PHE A 57 0.438 -2.076 -4.107 1.00 41.43 C ATOM 944 CG PHE A 57 -0.031 -3.495 -4.452 1.00 53.21 C ATOM 945 CD1 PHE A 57 0.180 -4.547 -3.575 1.00 33.33 C ATOM 946 CD2 PHE A 57 -0.681 -3.770 -5.661 1.00 25.54 C ATOM 947 CE1 PHE A 57 -0.237 -5.828 -3.880 1.00 71.02 C ATOM 948 CE2 PHE A 57 -1.099 -5.052 -5.968 1.00 70.20 C ATOM 949 CZ PHE A 57 -0.872 -6.081 -5.078 1.00 42.42 C ATOM 0 H PHE A 57 1.435 0.160 -4.328 1.00 4.14 H new ATOM 0 HA PHE A 57 2.389 -2.189 -3.124 1.00 23.43 H new ATOM 0 HB2 PHE A 57 0.037 -1.808 -3.130 1.00 41.43 H new ATOM 0 HB3 PHE A 57 0.005 -1.384 -4.830 1.00 41.43 H new ATOM 0 HD1 PHE A 57 0.680 -4.362 -2.636 1.00 33.33 H new ATOM 0 HD2 PHE A 57 -0.859 -2.970 -6.364 1.00 25.54 H new ATOM 0 HE1 PHE A 57 -0.066 -6.632 -3.180 1.00 71.02 H new ATOM 0 HE2 PHE A 57 -1.602 -5.247 -6.903 1.00 70.20 H new ATOM 0 HZ PHE A 57 -1.191 -7.084 -5.319 1.00 42.42 H new ATOM 959 N GLN A 58 2.521 -2.319 -6.427 1.00 1.05 N ATOM 960 CA GLN A 58 3.050 -3.062 -7.600 1.00 1.12 C ATOM 961 C GLN A 58 4.595 -3.012 -7.651 1.00 35.35 C ATOM 962 O GLN A 58 5.246 -3.923 -8.181 1.00 62.40 O ATOM 963 CB GLN A 58 2.413 -2.488 -8.886 1.00 25.21 C ATOM 964 CG GLN A 58 0.871 -2.427 -8.808 1.00 30.25 C ATOM 965 CD GLN A 58 0.195 -1.787 -10.027 1.00 73.11 C ATOM 966 OE1 GLN A 58 0.668 -1.891 -11.153 1.00 64.23 O ATOM 967 NE2 GLN A 58 -0.915 -1.103 -9.806 1.00 43.41 N ATOM 0 H GLN A 58 2.018 -1.468 -6.677 1.00 1.05 H new ATOM 0 HA GLN A 58 2.781 -4.115 -7.512 1.00 1.12 H new ATOM 0 HB2 GLN A 58 2.804 -1.486 -9.065 1.00 25.21 H new ATOM 0 HB3 GLN A 58 2.706 -3.102 -9.738 1.00 25.21 H new ATOM 0 HG2 GLN A 58 0.486 -3.439 -8.685 1.00 30.25 H new ATOM 0 HG3 GLN A 58 0.587 -1.868 -7.916 1.00 30.25 H new ATOM 0 HE21 GLN A 58 -1.290 -1.031 -8.860 1.00 43.41 H new ATOM 0 HE22 GLN A 58 -1.397 -0.648 -10.582 1.00 43.41 H new ATOM 976 N GLN A 59 5.161 -1.946 -7.045 1.00 63.43 N ATOM 977 CA GLN A 59 6.613 -1.806 -6.833 1.00 32.15 C ATOM 978 C GLN A 59 7.078 -2.800 -5.745 1.00 65.13 C ATOM 979 O GLN A 59 8.047 -3.530 -5.939 1.00 55.42 O ATOM 980 CB GLN A 59 6.945 -0.354 -6.408 1.00 70.31 C ATOM 981 CG GLN A 59 6.597 0.729 -7.451 1.00 43.33 C ATOM 982 CD GLN A 59 6.691 2.163 -6.903 1.00 71.24 C ATOM 983 OE1 GLN A 59 7.477 2.452 -6.007 1.00 13.12 O ATOM 984 NE2 GLN A 59 5.882 3.064 -7.430 1.00 40.25 N ATOM 0 H GLN A 59 4.620 -1.158 -6.689 1.00 63.43 H new ATOM 0 HA GLN A 59 7.136 -2.028 -7.763 1.00 32.15 H new ATOM 0 HB2 GLN A 59 6.411 -0.131 -5.484 1.00 70.31 H new ATOM 0 HB3 GLN A 59 8.010 -0.292 -6.184 1.00 70.31 H new ATOM 0 HG2 GLN A 59 7.269 0.630 -8.304 1.00 43.33 H new ATOM 0 HG3 GLN A 59 5.586 0.555 -7.820 1.00 43.33 H new ATOM 0 HE21 GLN A 59 5.238 2.797 -8.174 1.00 40.25 H new ATOM 0 HE22 GLN A 59 5.902 4.026 -7.093 1.00 40.25 H new ATOM 993 N LEU A 60 6.331 -2.825 -4.616 1.00 14.01 N ATOM 994 CA LEU A 60 6.579 -3.728 -3.463 1.00 54.12 C ATOM 995 C LEU A 60 6.672 -5.210 -3.880 1.00 52.41 C ATOM 996 O LEU A 60 7.579 -5.914 -3.452 1.00 45.44 O ATOM 997 CB LEU A 60 5.445 -3.572 -2.416 1.00 4.01 C ATOM 998 CG LEU A 60 5.474 -2.285 -1.545 1.00 52.33 C ATOM 999 CD1 LEU A 60 4.147 -2.126 -0.764 1.00 55.21 C ATOM 1000 CD2 LEU A 60 6.703 -2.301 -0.598 1.00 22.35 C ATOM 0 H LEU A 60 5.528 -2.211 -4.477 1.00 14.01 H new ATOM 0 HA LEU A 60 7.540 -3.439 -3.037 1.00 54.12 H new ATOM 0 HB2 LEU A 60 4.490 -3.607 -2.940 1.00 4.01 H new ATOM 0 HB3 LEU A 60 5.475 -4.435 -1.750 1.00 4.01 H new ATOM 0 HG LEU A 60 5.573 -1.418 -2.198 1.00 52.33 H new ATOM 0 HD11 LEU A 60 4.187 -1.219 -0.160 1.00 55.21 H new ATOM 0 HD12 LEU A 60 3.317 -2.058 -1.467 1.00 55.21 H new ATOM 0 HD13 LEU A 60 4.002 -2.989 -0.114 1.00 55.21 H new ATOM 0 HD21 LEU A 60 6.709 -1.393 0.005 1.00 22.35 H new ATOM 0 HD22 LEU A 60 6.647 -3.171 0.056 1.00 22.35 H new ATOM 0 HD23 LEU A 60 7.617 -2.350 -1.189 1.00 22.35 H new ATOM 1012 N MET A 61 5.713 -5.657 -4.714 1.00 1.50 N ATOM 1013 CA MET A 61 5.647 -7.057 -5.195 1.00 75.03 C ATOM 1014 C MET A 61 6.954 -7.484 -5.902 1.00 73.31 C ATOM 1015 O MET A 61 7.523 -8.531 -5.593 1.00 54.04 O ATOM 1016 CB MET A 61 4.438 -7.229 -6.154 1.00 31.34 C ATOM 1017 CG MET A 61 3.059 -6.903 -5.547 1.00 70.52 C ATOM 1018 SD MET A 61 2.588 -7.983 -4.173 1.00 13.23 S ATOM 1019 CE MET A 61 3.146 -7.090 -2.713 1.00 10.31 C ATOM 0 H MET A 61 4.965 -5.064 -5.073 1.00 1.50 H new ATOM 0 HA MET A 61 5.518 -7.703 -4.326 1.00 75.03 H new ATOM 0 HB2 MET A 61 4.593 -6.591 -7.024 1.00 31.34 H new ATOM 0 HB3 MET A 61 4.424 -8.258 -6.512 1.00 31.34 H new ATOM 0 HG2 MET A 61 3.061 -5.870 -5.200 1.00 70.52 H new ATOM 0 HG3 MET A 61 2.303 -6.975 -6.329 1.00 70.52 H new ATOM 0 HE1 MET A 61 3.830 -7.718 -2.142 1.00 10.31 H new ATOM 0 HE2 MET A 61 3.660 -6.178 -3.018 1.00 10.31 H new ATOM 0 HE3 MET A 61 2.287 -6.832 -2.094 1.00 10.31 H new ATOM 1029 N LYS A 62 7.425 -6.636 -6.824 1.00 15.31 N ATOM 1030 CA LYS A 62 8.616 -6.919 -7.653 1.00 73.41 C ATOM 1031 C LYS A 62 9.952 -6.756 -6.866 1.00 24.11 C ATOM 1032 O LYS A 62 10.903 -7.504 -7.095 1.00 22.24 O ATOM 1033 CB LYS A 62 8.596 -6.015 -8.912 1.00 72.24 C ATOM 1034 CG LYS A 62 9.647 -6.392 -9.979 1.00 62.11 C ATOM 1035 CD LYS A 62 9.514 -5.551 -11.264 1.00 51.23 C ATOM 1036 CE LYS A 62 10.502 -5.988 -12.356 1.00 4.15 C ATOM 1037 NZ LYS A 62 10.324 -5.214 -13.611 1.00 12.23 N ATOM 0 H LYS A 62 6.995 -5.732 -7.021 1.00 15.31 H new ATOM 0 HA LYS A 62 8.570 -7.965 -7.954 1.00 73.41 H new ATOM 0 HB2 LYS A 62 7.605 -6.061 -9.363 1.00 72.24 H new ATOM 0 HB3 LYS A 62 8.760 -4.982 -8.606 1.00 72.24 H new ATOM 0 HG2 LYS A 62 10.646 -6.258 -9.563 1.00 62.11 H new ATOM 0 HG3 LYS A 62 9.544 -7.448 -10.228 1.00 62.11 H new ATOM 0 HD2 LYS A 62 8.496 -5.634 -11.645 1.00 51.23 H new ATOM 0 HD3 LYS A 62 9.681 -4.500 -11.026 1.00 51.23 H new ATOM 0 HE2 LYS A 62 11.522 -5.861 -11.994 1.00 4.15 H new ATOM 0 HE3 LYS A 62 10.367 -7.050 -12.563 1.00 4.15 H new ATOM 0 HZ1 LYS A 62 10.087 -5.863 -14.388 1.00 12.23 H new ATOM 0 HZ2 LYS A 62 9.555 -4.525 -13.488 1.00 12.23 H new ATOM 0 HZ3 LYS A 62 11.206 -4.711 -13.837 1.00 12.23 H new ATOM 1051 N LEU A 63 10.005 -5.772 -5.942 1.00 13.51 N ATOM 1052 CA LEU A 63 11.209 -5.503 -5.100 1.00 12.33 C ATOM 1053 C LEU A 63 11.396 -6.588 -4.012 1.00 12.42 C ATOM 1054 O LEU A 63 12.523 -6.986 -3.704 1.00 44.43 O ATOM 1055 CB LEU A 63 11.104 -4.099 -4.435 1.00 5.34 C ATOM 1056 CG LEU A 63 11.085 -2.870 -5.404 1.00 12.23 C ATOM 1057 CD1 LEU A 63 10.893 -1.544 -4.630 1.00 33.31 C ATOM 1058 CD2 LEU A 63 12.355 -2.831 -6.288 1.00 22.30 C ATOM 0 H LEU A 63 9.225 -5.142 -5.754 1.00 13.51 H new ATOM 0 HA LEU A 63 12.080 -5.527 -5.755 1.00 12.33 H new ATOM 0 HB2 LEU A 63 10.196 -4.073 -3.833 1.00 5.34 H new ATOM 0 HB3 LEU A 63 11.944 -3.981 -3.750 1.00 5.34 H new ATOM 0 HG LEU A 63 10.228 -2.987 -6.067 1.00 12.23 H new ATOM 0 HD11 LEU A 63 10.884 -0.711 -5.332 1.00 33.31 H new ATOM 0 HD12 LEU A 63 9.947 -1.572 -4.089 1.00 33.31 H new ATOM 0 HD13 LEU A 63 11.712 -1.414 -3.923 1.00 33.31 H new ATOM 0 HD21 LEU A 63 12.311 -1.966 -6.950 1.00 22.30 H new ATOM 0 HD22 LEU A 63 13.238 -2.758 -5.653 1.00 22.30 H new ATOM 0 HD23 LEU A 63 12.411 -3.742 -6.884 1.00 22.30 H new ATOM 1070 N PHE A 64 10.270 -7.049 -3.437 1.00 74.01 N ATOM 1071 CA PHE A 64 10.257 -8.101 -2.393 1.00 12.52 C ATOM 1072 C PHE A 64 10.592 -9.482 -3.009 1.00 42.14 C ATOM 1073 O PHE A 64 11.253 -10.316 -2.387 1.00 14.32 O ATOM 1074 CB PHE A 64 8.871 -8.125 -1.697 1.00 71.00 C ATOM 1075 CG PHE A 64 8.809 -8.949 -0.417 1.00 53.05 C ATOM 1076 CD1 PHE A 64 9.267 -8.419 0.789 1.00 75.32 C ATOM 1077 CD2 PHE A 64 8.299 -10.249 -0.414 1.00 15.23 C ATOM 1078 CE1 PHE A 64 9.217 -9.162 1.954 1.00 31.01 C ATOM 1079 CE2 PHE A 64 8.250 -10.991 0.751 1.00 60.53 C ATOM 1080 CZ PHE A 64 8.710 -10.447 1.935 1.00 64.44 C ATOM 0 H PHE A 64 9.341 -6.705 -3.680 1.00 74.01 H new ATOM 0 HA PHE A 64 11.020 -7.876 -1.648 1.00 12.52 H new ATOM 0 HB2 PHE A 64 8.579 -7.100 -1.467 1.00 71.00 H new ATOM 0 HB3 PHE A 64 8.135 -8.516 -2.399 1.00 71.00 H new ATOM 0 HD1 PHE A 64 9.666 -7.416 0.813 1.00 75.32 H new ATOM 0 HD2 PHE A 64 7.938 -10.681 -1.336 1.00 15.23 H new ATOM 0 HE1 PHE A 64 9.575 -8.737 2.880 1.00 31.01 H new ATOM 0 HE2 PHE A 64 7.853 -11.995 0.736 1.00 60.53 H new ATOM 0 HZ PHE A 64 8.673 -11.026 2.846 1.00 64.44 H new ATOM 1090 N GLU A 65 10.106 -9.698 -4.240 1.00 64.50 N ATOM 1091 CA GLU A 65 10.427 -10.886 -5.060 1.00 10.35 C ATOM 1092 C GLU A 65 11.900 -10.857 -5.541 1.00 53.04 C ATOM 1093 O GLU A 65 12.545 -11.908 -5.651 1.00 11.30 O ATOM 1094 CB GLU A 65 9.460 -10.928 -6.267 1.00 12.33 C ATOM 1095 CG GLU A 65 9.651 -12.115 -7.227 1.00 53.11 C ATOM 1096 CD GLU A 65 8.631 -12.116 -8.377 1.00 32.51 C ATOM 1097 OE1 GLU A 65 8.863 -11.423 -9.392 1.00 44.44 O ATOM 1098 OE2 GLU A 65 7.586 -12.797 -8.272 1.00 44.05 O ATOM 0 H GLU A 65 9.471 -9.048 -4.704 1.00 64.50 H new ATOM 0 HA GLU A 65 10.305 -11.784 -4.454 1.00 10.35 H new ATOM 0 HB2 GLU A 65 8.437 -10.949 -5.891 1.00 12.33 H new ATOM 0 HB3 GLU A 65 9.573 -10.003 -6.833 1.00 12.33 H new ATOM 0 HG2 GLU A 65 10.659 -12.084 -7.641 1.00 53.11 H new ATOM 0 HG3 GLU A 65 9.564 -13.047 -6.668 1.00 53.11 H new ATOM 1105 N LYS A 66 12.380 -9.632 -5.867 1.00 1.44 N ATOM 1106 CA LYS A 66 13.772 -9.329 -6.297 1.00 71.24 C ATOM 1107 C LYS A 66 14.101 -9.782 -7.760 1.00 3.43 C ATOM 1108 O LYS A 66 14.938 -9.153 -8.433 1.00 12.21 O ATOM 1109 CB LYS A 66 14.823 -9.897 -5.293 1.00 41.51 C ATOM 1110 CG LYS A 66 16.284 -9.461 -5.565 1.00 55.14 C ATOM 1111 CD LYS A 66 17.309 -10.172 -4.651 1.00 51.21 C ATOM 1112 CE LYS A 66 18.754 -9.719 -4.931 1.00 35.42 C ATOM 1113 NZ LYS A 66 19.739 -10.461 -4.104 1.00 33.21 N ATOM 0 H LYS A 66 11.792 -8.799 -5.838 1.00 1.44 H new ATOM 0 HA LYS A 66 13.838 -8.241 -6.295 1.00 71.24 H new ATOM 0 HB2 LYS A 66 14.547 -9.585 -4.286 1.00 41.51 H new ATOM 0 HB3 LYS A 66 14.774 -10.986 -5.315 1.00 41.51 H new ATOM 0 HG2 LYS A 66 16.531 -9.667 -6.607 1.00 55.14 H new ATOM 0 HG3 LYS A 66 16.367 -8.383 -5.425 1.00 55.14 H new ATOM 0 HD2 LYS A 66 17.063 -9.971 -3.608 1.00 51.21 H new ATOM 0 HD3 LYS A 66 17.234 -11.250 -4.794 1.00 51.21 H new ATOM 0 HE2 LYS A 66 18.982 -9.867 -5.987 1.00 35.42 H new ATOM 0 HE3 LYS A 66 18.844 -8.651 -4.732 1.00 35.42 H new ATOM 0 HZ1 LYS A 66 20.699 -10.126 -4.323 1.00 33.21 H new ATOM 0 HZ2 LYS A 66 19.538 -10.300 -3.096 1.00 33.21 H new ATOM 0 HZ3 LYS A 66 19.671 -11.478 -4.312 1.00 33.21 H new ATOM 1127 N SER A 67 13.434 -10.849 -8.252 1.00 74.14 N ATOM 1128 CA SER A 67 13.764 -11.488 -9.555 1.00 0.11 C ATOM 1129 C SER A 67 13.524 -10.554 -10.766 1.00 12.43 C ATOM 1130 O SER A 67 12.636 -9.694 -10.743 1.00 44.00 O ATOM 1131 CB SER A 67 12.957 -12.795 -9.734 1.00 11.44 C ATOM 1132 OG SER A 67 11.564 -12.555 -9.837 1.00 64.05 O ATOM 0 H SER A 67 12.656 -11.293 -7.764 1.00 74.14 H new ATOM 0 HA SER A 67 14.831 -11.711 -9.528 1.00 0.11 H new ATOM 0 HB2 SER A 67 13.302 -13.313 -10.629 1.00 11.44 H new ATOM 0 HB3 SER A 67 13.148 -13.457 -8.889 1.00 11.44 H new ATOM 0 HG SER A 67 11.376 -11.620 -9.613 1.00 64.05 H new ATOM 1138 N LYS A 68 14.334 -10.744 -11.823 1.00 21.43 N ATOM 1139 CA LYS A 68 14.296 -9.921 -13.050 1.00 1.53 C ATOM 1140 C LYS A 68 13.701 -10.771 -14.226 1.00 35.03 C ATOM 1141 O LYS A 68 12.849 -11.634 -13.975 1.00 12.22 O ATOM 1142 CB LYS A 68 15.746 -9.390 -13.322 1.00 62.14 C ATOM 1143 CG LYS A 68 15.817 -8.111 -14.192 1.00 30.21 C ATOM 1144 CD LYS A 68 17.265 -7.656 -14.472 1.00 12.12 C ATOM 1145 CE LYS A 68 17.333 -6.409 -15.366 1.00 1.20 C ATOM 1146 NZ LYS A 68 18.732 -6.003 -15.658 1.00 41.33 N ATOM 0 H LYS A 68 15.040 -11.479 -11.852 1.00 21.43 H new ATOM 0 HA LYS A 68 13.644 -9.054 -12.944 1.00 1.53 H new ATOM 0 HB2 LYS A 68 16.230 -9.189 -12.366 1.00 62.14 H new ATOM 0 HB3 LYS A 68 16.320 -10.177 -13.811 1.00 62.14 H new ATOM 0 HG2 LYS A 68 15.309 -8.293 -15.139 1.00 30.21 H new ATOM 0 HG3 LYS A 68 15.279 -7.306 -13.691 1.00 30.21 H new ATOM 0 HD2 LYS A 68 17.765 -7.447 -13.526 1.00 12.12 H new ATOM 0 HD3 LYS A 68 17.811 -8.470 -14.949 1.00 12.12 H new ATOM 0 HE2 LYS A 68 16.811 -6.606 -16.302 1.00 1.20 H new ATOM 0 HE3 LYS A 68 16.812 -5.585 -14.878 1.00 1.20 H new ATOM 0 HZ1 LYS A 68 18.729 -5.158 -16.264 1.00 41.33 H new ATOM 0 HZ2 LYS A 68 19.224 -5.789 -14.767 1.00 41.33 H new ATOM 0 HZ3 LYS A 68 19.223 -6.778 -16.147 1.00 41.33 H new ATOM 1160 N CYS A 69 14.095 -10.477 -15.502 1.00 11.44 N ATOM 1161 CA CYS A 69 13.642 -11.204 -16.734 1.00 22.14 C ATOM 1162 C CYS A 69 12.171 -10.892 -17.141 1.00 22.35 C ATOM 1163 O CYS A 69 11.770 -11.177 -18.277 1.00 22.00 O ATOM 1164 CB CYS A 69 13.867 -12.743 -16.622 1.00 12.43 C ATOM 1165 SG CYS A 69 15.579 -13.231 -16.287 1.00 51.45 S ATOM 0 H CYS A 69 14.745 -9.718 -15.708 1.00 11.44 H new ATOM 0 HA CYS A 69 14.274 -10.821 -17.535 1.00 22.14 H new ATOM 0 HB2 CYS A 69 13.230 -13.134 -15.829 1.00 12.43 H new ATOM 0 HB3 CYS A 69 13.544 -13.213 -17.551 1.00 12.43 H new ATOM 0 HG CYS A 69 15.654 -14.527 -16.211 1.00 51.45 H new ATOM 1171 N ARG A 70 11.376 -10.304 -16.226 1.00 24.15 N ATOM 1172 CA ARG A 70 9.957 -9.944 -16.465 1.00 12.13 C ATOM 1173 C ARG A 70 9.753 -8.405 -16.265 1.00 2.15 C ATOM 1174 O ARG A 70 9.682 -7.667 -17.275 1.00 37.25 O ATOM 1175 CB ARG A 70 9.040 -10.767 -15.516 1.00 35.04 C ATOM 1176 CG ARG A 70 9.092 -12.298 -15.734 1.00 35.41 C ATOM 1177 CD ARG A 70 8.280 -13.089 -14.690 1.00 1.42 C ATOM 1178 NE ARG A 70 8.812 -12.925 -13.323 1.00 25.43 N ATOM 1179 CZ ARG A 70 8.994 -13.892 -12.445 1.00 53.35 C ATOM 1180 NH1 ARG A 70 8.732 -15.132 -12.734 1.00 72.14 N ATOM 1181 NH2 ARG A 70 9.442 -13.599 -11.277 1.00 14.31 N ATOM 1182 OXT ARG A 70 9.718 -7.936 -15.103 1.00 37.25 O ATOM 0 H ARG A 70 11.700 -10.062 -15.290 1.00 24.15 H new ATOM 0 HA ARG A 70 9.686 -10.186 -17.493 1.00 12.13 H new ATOM 0 HB2 ARG A 70 9.320 -10.551 -14.485 1.00 35.04 H new ATOM 0 HB3 ARG A 70 8.011 -10.430 -15.645 1.00 35.04 H new ATOM 0 HG2 ARG A 70 8.714 -12.529 -16.730 1.00 35.41 H new ATOM 0 HG3 ARG A 70 10.130 -12.628 -15.703 1.00 35.41 H new ATOM 0 HD2 ARG A 70 7.241 -12.759 -14.715 1.00 1.42 H new ATOM 0 HD3 ARG A 70 8.285 -14.146 -14.955 1.00 1.42 H new ATOM 0 HE ARG A 70 9.061 -11.980 -13.032 1.00 25.43 H new ATOM 0 HH11 ARG A 70 8.377 -15.376 -13.658 1.00 72.14 H new ATOM 0 HH12 ARG A 70 8.882 -15.861 -12.036 1.00 72.14 H new ATOM 0 HH21 ARG A 70 9.652 -12.629 -11.040 1.00 14.31 H new ATOM 0 HH22 ARG A 70 9.588 -14.336 -10.587 1.00 14.31 H new TER 1196 ARG A 70