USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 584 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 27 HIS : no HE2:sc= 0.56 K(o=1.4,f=-5.5!) USER MOD Set 1.2: A 55 TYR OH : rot 30:sc= 0.799 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 41:sc= 0.0446 USER MOD Single : A 5 MET CE :methyl -127:sc= -1.31 (180deg=-4.87!) USER MOD Single : A 6 SER OG : rot 46:sc= 0.316 USER MOD Single : A 8 ASN : amide:sc= -0.932 K(o=-0.93,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.706 K(o=-0.71,f=-0.016) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.616 K(o=0.62,f=-2.3!) USER MOD Single : A 26 GLN : amide:sc= -0.0706 K(o=-0.071,f=-0.61) USER MOD Single : A 28 SER OG : rot 41:sc= 0.233 USER MOD Single : A 44 HIS : no HE2:sc= -0.246 K(o=-0.25,f=-2.4!) USER MOD Single : A 52 CYS SG : rot 100:sc= -1.34 USER MOD Single : A 59 HIS : no HD1:sc= -0.752 K(o=-0.75,f=-0.17) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= -0.0863 (180deg=-0.43) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 1.02 (180deg=0.859) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 80 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.060 3.731 -11.417 1.00 64.54 N ATOM 2 CA GLY A 1 -25.168 2.730 -10.783 1.00 63.31 C ATOM 3 C GLY A 1 -25.248 1.386 -11.480 1.00 45.41 C ATOM 4 O GLY A 1 -26.093 0.559 -11.133 1.00 52.30 O ATOM 0 H1 GLY A 1 -25.978 4.637 -10.913 1.00 64.54 H new ATOM 0 H2 GLY A 1 -25.784 3.861 -12.411 1.00 64.54 H new ATOM 0 H3 GLY A 1 -27.044 3.397 -11.372 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -24.140 3.092 -10.807 1.00 63.31 H new ATOM 0 HA3 GLY A 1 -25.440 2.613 -9.734 1.00 63.31 H new ATOM 10 N PRO A 2 -24.384 1.134 -12.477 1.00 71.21 N ATOM 11 CA PRO A 2 -24.416 -0.105 -13.248 1.00 1.44 C ATOM 12 C PRO A 2 -23.680 -1.256 -12.555 1.00 72.44 C ATOM 13 O PRO A 2 -22.559 -1.095 -12.066 1.00 54.42 O ATOM 14 CB PRO A 2 -23.710 0.292 -14.547 1.00 51.43 C ATOM 15 CG PRO A 2 -22.716 1.330 -14.134 1.00 23.45 C ATOM 16 CD PRO A 2 -23.307 2.040 -12.933 1.00 11.23 C ATOM 0 HA PRO A 2 -25.430 -0.480 -13.387 1.00 1.44 H new ATOM 0 HB2 PRO A 2 -23.220 -0.565 -15.009 1.00 51.43 H new ATOM 0 HB3 PRO A 2 -24.416 0.688 -15.277 1.00 51.43 H new ATOM 0 HG2 PRO A 2 -21.760 0.872 -13.882 1.00 23.45 H new ATOM 0 HG3 PRO A 2 -22.529 2.032 -14.946 1.00 23.45 H new ATOM 0 HD2 PRO A 2 -22.560 2.196 -12.154 1.00 11.23 H new ATOM 0 HD3 PRO A 2 -23.698 3.021 -13.202 1.00 11.23 H new ATOM 24 N GLY A 3 -24.331 -2.413 -12.499 1.00 40.44 N ATOM 25 CA GLY A 3 -23.681 -3.624 -12.025 1.00 52.53 C ATOM 26 C GLY A 3 -23.055 -4.366 -13.183 1.00 44.43 C ATOM 27 O GLY A 3 -23.357 -5.537 -13.433 1.00 41.21 O ATOM 0 H GLY A 3 -25.305 -2.535 -12.776 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -22.917 -3.372 -11.289 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -24.408 -4.263 -11.524 1.00 52.53 H new ATOM 31 N SER A 4 -22.184 -3.668 -13.898 1.00 41.10 N ATOM 32 CA SER A 4 -21.650 -4.141 -15.161 1.00 64.44 C ATOM 33 C SER A 4 -20.503 -5.143 -14.981 1.00 54.20 C ATOM 34 O SER A 4 -19.459 -4.825 -14.404 1.00 10.33 O ATOM 35 CB SER A 4 -21.187 -2.937 -15.991 1.00 64.41 C ATOM 36 OG SER A 4 -20.463 -2.016 -15.191 1.00 10.53 O ATOM 0 H SER A 4 -21.829 -2.755 -13.615 1.00 41.10 H new ATOM 0 HA SER A 4 -22.445 -4.675 -15.682 1.00 64.44 H new ATOM 0 HB2 SER A 4 -20.561 -3.278 -16.816 1.00 64.41 H new ATOM 0 HB3 SER A 4 -22.052 -2.440 -16.431 1.00 64.41 H new ATOM 0 HG SER A 4 -19.869 -2.506 -14.585 1.00 10.53 H new ATOM 42 N MET A 5 -20.724 -6.361 -15.465 1.00 31.34 N ATOM 43 CA MET A 5 -19.657 -7.340 -15.627 1.00 4.33 C ATOM 44 C MET A 5 -18.938 -7.036 -16.932 1.00 34.52 C ATOM 45 O MET A 5 -17.725 -6.816 -16.966 1.00 40.22 O ATOM 46 CB MET A 5 -20.231 -8.759 -15.658 1.00 72.43 C ATOM 47 CG MET A 5 -19.196 -9.841 -15.956 1.00 13.45 C ATOM 48 SD MET A 5 -19.665 -11.428 -15.252 1.00 24.43 S ATOM 49 CE MET A 5 -19.740 -10.969 -13.524 1.00 72.00 C ATOM 0 H MET A 5 -21.643 -6.695 -15.754 1.00 31.34 H new ATOM 0 HA MET A 5 -18.964 -7.280 -14.788 1.00 4.33 H new ATOM 0 HB2 MET A 5 -20.698 -8.972 -14.696 1.00 72.43 H new ATOM 0 HB3 MET A 5 -21.017 -8.805 -16.411 1.00 72.43 H new ATOM 0 HG2 MET A 5 -19.077 -9.943 -17.035 1.00 13.45 H new ATOM 0 HG3 MET A 5 -18.228 -9.538 -15.556 1.00 13.45 H new ATOM 0 HE1 MET A 5 -19.122 -11.651 -12.939 1.00 72.00 H new ATOM 0 HE2 MET A 5 -19.372 -9.950 -13.402 1.00 72.00 H new ATOM 0 HE3 MET A 5 -20.772 -11.026 -13.177 1.00 72.00 H new ATOM 59 N SER A 6 -19.733 -6.998 -17.992 1.00 74.20 N ATOM 60 CA SER A 6 -19.286 -6.605 -19.318 1.00 0.11 C ATOM 61 C SER A 6 -20.503 -6.261 -20.178 1.00 25.10 C ATOM 62 O SER A 6 -21.308 -7.136 -20.507 1.00 15.20 O ATOM 63 CB SER A 6 -18.473 -7.727 -19.967 1.00 43.50 C ATOM 64 OG SER A 6 -19.176 -8.962 -19.916 1.00 53.04 O ATOM 0 H SER A 6 -20.722 -7.244 -17.953 1.00 74.20 H new ATOM 0 HA SER A 6 -18.643 -5.729 -19.235 1.00 0.11 H new ATOM 0 HB2 SER A 6 -18.256 -7.471 -21.004 1.00 43.50 H new ATOM 0 HB3 SER A 6 -17.515 -7.829 -19.457 1.00 43.50 H new ATOM 0 HG SER A 6 -20.108 -8.819 -20.184 1.00 53.04 H new ATOM 70 N ILE A 7 -20.645 -4.987 -20.522 1.00 31.23 N ATOM 71 CA ILE A 7 -21.809 -4.521 -21.267 1.00 15.14 C ATOM 72 C ILE A 7 -21.639 -4.816 -22.755 1.00 55.21 C ATOM 73 O ILE A 7 -22.386 -5.613 -23.329 1.00 65.33 O ATOM 74 CB ILE A 7 -22.050 -3.001 -21.063 1.00 4.15 C ATOM 75 CG1 ILE A 7 -22.212 -2.680 -19.566 1.00 23.20 C ATOM 76 CG2 ILE A 7 -23.276 -2.535 -21.850 1.00 34.01 C ATOM 77 CD1 ILE A 7 -22.411 -1.206 -19.264 1.00 34.15 C ATOM 0 H ILE A 7 -19.969 -4.257 -20.297 1.00 31.23 H new ATOM 0 HA ILE A 7 -22.677 -5.058 -20.884 1.00 15.14 H new ATOM 0 HB ILE A 7 -21.181 -2.462 -21.440 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -23.064 -3.237 -19.176 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -21.329 -3.033 -19.033 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -23.425 -1.467 -21.692 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -23.121 -2.727 -22.912 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -24.156 -3.079 -21.508 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -22.517 -1.066 -18.188 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -21.549 -0.642 -19.620 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -23.310 -0.850 -19.766 1.00 34.15 H new ATOM 89 N ASN A 8 -20.642 -4.173 -23.358 1.00 54.12 N ATOM 90 CA ASN A 8 -20.318 -4.355 -24.774 1.00 25.44 C ATOM 91 C ASN A 8 -19.133 -3.463 -25.169 1.00 50.11 C ATOM 92 O ASN A 8 -18.207 -3.930 -25.830 1.00 64.43 O ATOM 93 CB ASN A 8 -21.527 -4.069 -25.688 1.00 20.10 C ATOM 94 CG ASN A 8 -21.242 -4.382 -27.151 1.00 43.15 C ATOM 95 OD1 ASN A 8 -21.738 -3.705 -28.053 1.00 32.04 O ATOM 96 ND2 ASN A 8 -20.459 -5.422 -27.400 1.00 53.11 N ATOM 0 H ASN A 8 -20.034 -3.509 -22.879 1.00 54.12 H new ATOM 0 HA ASN A 8 -20.044 -5.401 -24.912 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -22.379 -4.661 -25.353 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -21.810 -3.021 -25.593 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -20.250 -5.684 -28.363 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -20.065 -5.960 -26.628 1.00 53.11 H new ATOM 103 N PRO A 9 -19.148 -2.157 -24.800 1.00 24.42 N ATOM 104 CA PRO A 9 -17.986 -1.285 -24.990 1.00 34.30 C ATOM 105 C PRO A 9 -16.981 -1.437 -23.847 1.00 64.14 C ATOM 106 O PRO A 9 -17.248 -2.153 -22.876 1.00 71.44 O ATOM 107 CB PRO A 9 -18.608 0.116 -24.993 1.00 41.24 C ATOM 108 CG PRO A 9 -19.770 0.001 -24.065 1.00 53.41 C ATOM 109 CD PRO A 9 -20.289 -1.413 -24.211 1.00 62.43 C ATOM 0 HA PRO A 9 -17.425 -1.512 -25.896 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -17.897 0.868 -24.650 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -18.925 0.409 -25.994 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -19.468 0.201 -23.037 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -20.543 0.727 -24.317 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -20.584 -1.831 -23.248 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -21.166 -1.451 -24.857 1.00 62.43 H new ATOM 117 N PHE A 10 -15.848 -0.742 -23.962 1.00 40.41 N ATOM 118 CA PHE A 10 -14.763 -0.821 -22.980 1.00 31.52 C ATOM 119 C PHE A 10 -14.105 -2.201 -23.019 1.00 72.32 C ATOM 120 O PHE A 10 -14.547 -3.140 -22.341 1.00 51.11 O ATOM 121 CB PHE A 10 -15.249 -0.482 -21.559 1.00 3.43 C ATOM 122 CG PHE A 10 -15.724 0.943 -21.407 1.00 33.53 C ATOM 123 CD1 PHE A 10 -14.818 1.967 -21.165 1.00 51.51 C ATOM 124 CD2 PHE A 10 -17.074 1.260 -21.508 1.00 15.31 C ATOM 125 CE1 PHE A 10 -15.246 3.275 -21.029 1.00 54.40 C ATOM 126 CE2 PHE A 10 -17.505 2.567 -21.373 1.00 50.24 C ATOM 127 CZ PHE A 10 -16.591 3.575 -21.132 1.00 35.42 C ATOM 0 H PHE A 10 -15.656 -0.108 -24.738 1.00 40.41 H new ATOM 0 HA PHE A 10 -14.018 -0.073 -23.251 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -16.061 -1.158 -21.291 1.00 3.43 H new ATOM 0 HB3 PHE A 10 -14.438 -0.663 -20.854 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -13.766 1.739 -21.082 1.00 51.51 H new ATOM 0 HD2 PHE A 10 -17.794 0.477 -21.694 1.00 15.31 H new ATOM 0 HE1 PHE A 10 -14.530 4.061 -20.842 1.00 54.40 H new ATOM 0 HE2 PHE A 10 -18.556 2.800 -21.456 1.00 50.24 H new ATOM 0 HZ PHE A 10 -16.927 4.596 -21.024 1.00 35.42 H new ATOM 137 N ASP A 11 -13.064 -2.303 -23.848 1.00 1.54 N ATOM 138 CA ASP A 11 -12.302 -3.535 -24.054 1.00 3.31 C ATOM 139 C ASP A 11 -11.278 -3.321 -25.167 1.00 75.40 C ATOM 140 O ASP A 11 -11.397 -2.377 -25.958 1.00 13.31 O ATOM 141 CB ASP A 11 -13.214 -4.731 -24.407 1.00 60.33 C ATOM 142 CG ASP A 11 -13.956 -4.559 -25.728 1.00 70.42 C ATOM 143 OD1 ASP A 11 -13.423 -4.978 -26.778 1.00 63.02 O ATOM 144 OD2 ASP A 11 -15.086 -4.029 -25.719 1.00 15.20 O ATOM 0 H ASP A 11 -12.722 -1.519 -24.404 1.00 1.54 H new ATOM 0 HA ASP A 11 -11.797 -3.773 -23.118 1.00 3.31 H new ATOM 0 HB2 ASP A 11 -12.610 -5.637 -24.454 1.00 60.33 H new ATOM 0 HB3 ASP A 11 -13.940 -4.873 -23.607 1.00 60.33 H new ATOM 149 N ASP A 12 -10.272 -4.196 -25.218 1.00 41.24 N ATOM 150 CA ASP A 12 -9.229 -4.136 -26.244 1.00 42.44 C ATOM 151 C ASP A 12 -8.360 -5.395 -26.196 1.00 73.54 C ATOM 152 O ASP A 12 -8.152 -5.976 -25.126 1.00 63.12 O ATOM 153 CB ASP A 12 -8.356 -2.881 -26.071 1.00 5.22 C ATOM 154 CG ASP A 12 -7.239 -2.801 -27.103 1.00 31.25 C ATOM 155 OD1 ASP A 12 -7.509 -2.411 -28.258 1.00 14.35 O ATOM 156 OD2 ASP A 12 -6.081 -3.125 -26.762 1.00 43.52 O ATOM 0 H ASP A 12 -10.157 -4.962 -24.554 1.00 41.24 H new ATOM 0 HA ASP A 12 -9.716 -4.081 -27.217 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -8.983 -1.993 -26.149 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -7.923 -2.879 -25.071 1.00 5.22 H new ATOM 161 N ASP A 13 -7.856 -5.799 -27.362 1.00 11.11 N ATOM 162 CA ASP A 13 -7.064 -7.027 -27.511 1.00 23.12 C ATOM 163 C ASP A 13 -5.871 -7.047 -26.559 1.00 30.54 C ATOM 164 O ASP A 13 -5.741 -7.942 -25.723 1.00 12.41 O ATOM 165 CB ASP A 13 -6.563 -7.162 -28.955 1.00 74.53 C ATOM 166 CG ASP A 13 -7.688 -7.294 -29.966 1.00 12.31 C ATOM 167 OD1 ASP A 13 -8.322 -6.266 -30.292 1.00 73.14 O ATOM 168 OD2 ASP A 13 -7.928 -8.419 -30.457 1.00 60.13 O ATOM 0 H ASP A 13 -7.984 -5.285 -28.234 1.00 11.11 H new ATOM 0 HA ASP A 13 -7.714 -7.867 -27.264 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -5.957 -6.291 -29.206 1.00 74.53 H new ATOM 0 HB3 ASP A 13 -5.913 -8.034 -29.028 1.00 74.53 H new ATOM 173 N ASN A 14 -4.993 -6.061 -26.703 1.00 10.01 N ATOM 174 CA ASN A 14 -3.796 -5.968 -25.868 1.00 44.32 C ATOM 175 C ASN A 14 -4.137 -5.312 -24.537 1.00 62.12 C ATOM 176 O ASN A 14 -3.436 -5.487 -23.536 1.00 31.00 O ATOM 177 CB ASN A 14 -2.704 -5.156 -26.582 1.00 31.51 C ATOM 178 CG ASN A 14 -1.441 -4.980 -25.742 1.00 23.43 C ATOM 179 OD1 ASN A 14 -0.789 -3.936 -25.795 1.00 1.41 O ATOM 180 ND2 ASN A 14 -1.074 -6.003 -24.980 1.00 73.33 N ATOM 0 H ASN A 14 -5.086 -5.313 -27.390 1.00 10.01 H new ATOM 0 HA ASN A 14 -3.423 -6.976 -25.686 1.00 44.32 H new ATOM 0 HB2 ASN A 14 -2.445 -5.652 -27.517 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -3.101 -4.174 -26.841 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -0.228 -5.940 -24.414 1.00 73.33 H new ATOM 0 HD22 ASN A 14 -1.638 -6.853 -24.961 1.00 73.33 H new ATOM 187 N GLY A 15 -5.234 -4.570 -24.536 1.00 55.21 N ATOM 188 CA GLY A 15 -5.598 -3.782 -23.386 1.00 55.10 C ATOM 189 C GLY A 15 -4.902 -2.443 -23.430 1.00 5.11 C ATOM 190 O GLY A 15 -3.937 -2.213 -22.700 1.00 2.02 O ATOM 0 H GLY A 15 -5.882 -4.502 -25.321 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -6.678 -3.638 -23.362 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -5.327 -4.311 -22.473 1.00 55.10 H new ATOM 194 N SER A 16 -5.369 -1.578 -24.325 1.00 4.14 N ATOM 195 CA SER A 16 -4.794 -0.253 -24.496 1.00 63.44 C ATOM 196 C SER A 16 -4.851 0.536 -23.178 1.00 71.32 C ATOM 197 O SER A 16 -5.899 0.993 -22.733 1.00 2.12 O ATOM 198 CB SER A 16 -5.503 0.464 -25.628 1.00 1.03 C ATOM 199 OG SER A 16 -5.359 -0.239 -26.850 1.00 70.32 O ATOM 0 H SER A 16 -6.152 -1.776 -24.948 1.00 4.14 H new ATOM 0 HA SER A 16 -3.741 -0.341 -24.763 1.00 63.44 H new ATOM 0 HB2 SER A 16 -6.561 0.570 -25.389 1.00 1.03 H new ATOM 0 HB3 SER A 16 -5.098 1.470 -25.735 1.00 1.03 H new ATOM 0 HG SER A 16 -5.827 0.244 -27.563 1.00 70.32 H new ATOM 205 N PHE A 17 -3.672 0.641 -22.590 1.00 33.31 N ATOM 206 CA PHE A 17 -3.494 0.996 -21.174 1.00 3.42 C ATOM 207 C PHE A 17 -2.025 1.337 -20.957 1.00 71.15 C ATOM 208 O PHE A 17 -1.248 0.394 -20.803 1.00 4.05 O ATOM 209 CB PHE A 17 -3.876 -0.159 -20.219 1.00 25.25 C ATOM 210 CG PHE A 17 -5.356 -0.395 -20.046 1.00 23.11 C ATOM 211 CD1 PHE A 17 -6.172 0.597 -19.527 1.00 3.25 C ATOM 212 CD2 PHE A 17 -5.927 -1.617 -20.380 1.00 74.21 C ATOM 213 CE1 PHE A 17 -7.521 0.377 -19.347 1.00 25.21 C ATOM 214 CE2 PHE A 17 -7.278 -1.839 -20.204 1.00 70.22 C ATOM 215 CZ PHE A 17 -8.076 -0.841 -19.687 1.00 45.40 C ATOM 0 H PHE A 17 -2.792 0.482 -23.081 1.00 33.31 H new ATOM 0 HA PHE A 17 -4.150 1.837 -20.951 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -3.420 -1.078 -20.587 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -3.441 0.043 -19.240 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -5.747 1.553 -19.260 1.00 3.25 H new ATOM 0 HD2 PHE A 17 -5.306 -2.403 -20.783 1.00 74.21 H new ATOM 0 HE1 PHE A 17 -8.145 1.159 -18.939 1.00 25.21 H new ATOM 0 HE2 PHE A 17 -7.709 -2.793 -20.471 1.00 70.22 H new ATOM 0 HZ PHE A 17 -9.133 -1.011 -19.548 1.00 45.40 H new ATOM 225 N PHE A 18 -1.601 2.590 -20.890 1.00 10.51 N ATOM 226 CA PHE A 18 -0.203 2.875 -20.522 1.00 50.04 C ATOM 227 C PHE A 18 -0.113 4.231 -19.852 1.00 10.14 C ATOM 228 O PHE A 18 -0.658 5.212 -20.361 1.00 64.22 O ATOM 229 CB PHE A 18 0.734 2.780 -21.750 1.00 0.03 C ATOM 230 CG PHE A 18 0.758 1.388 -22.354 1.00 53.34 C ATOM 231 CD1 PHE A 18 1.636 0.423 -21.891 1.00 52.42 C ATOM 232 CD2 PHE A 18 -0.132 1.033 -23.357 1.00 61.11 C ATOM 233 CE1 PHE A 18 1.634 -0.856 -22.417 1.00 42.02 C ATOM 234 CE2 PHE A 18 -0.143 -0.248 -23.882 1.00 74.44 C ATOM 235 CZ PHE A 18 0.743 -1.191 -23.414 1.00 11.54 C ATOM 0 H PHE A 18 -2.177 3.411 -21.077 1.00 10.51 H new ATOM 0 HA PHE A 18 0.132 2.119 -19.812 1.00 50.04 H new ATOM 0 HB2 PHE A 18 0.411 3.496 -22.506 1.00 0.03 H new ATOM 0 HB3 PHE A 18 1.745 3.062 -21.455 1.00 0.03 H new ATOM 0 HD1 PHE A 18 2.334 0.673 -21.106 1.00 52.42 H new ATOM 0 HD2 PHE A 18 -0.828 1.768 -23.734 1.00 61.11 H new ATOM 0 HE1 PHE A 18 2.331 -1.593 -22.046 1.00 42.02 H new ATOM 0 HE2 PHE A 18 -0.847 -0.507 -24.659 1.00 74.44 H new ATOM 0 HZ PHE A 18 0.740 -2.189 -23.826 1.00 11.54 H new ATOM 245 N VAL A 19 0.554 4.279 -18.702 1.00 64.01 N ATOM 246 CA VAL A 19 0.597 5.508 -17.913 1.00 61.04 C ATOM 247 C VAL A 19 1.700 5.487 -16.854 1.00 43.40 C ATOM 248 O VAL A 19 1.966 4.441 -16.230 1.00 52.44 O ATOM 249 CB VAL A 19 -0.771 5.788 -17.238 1.00 53.32 C ATOM 250 CG1 VAL A 19 -1.187 4.627 -16.342 1.00 65.33 C ATOM 251 CG2 VAL A 19 -0.745 7.102 -16.458 1.00 2.33 C ATOM 0 H VAL A 19 1.066 3.494 -18.299 1.00 64.01 H new ATOM 0 HA VAL A 19 0.824 6.312 -18.614 1.00 61.04 H new ATOM 0 HB VAL A 19 -1.516 5.886 -18.027 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -2.149 4.850 -15.881 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -1.272 3.719 -16.939 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -0.438 4.481 -15.564 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -1.718 7.270 -15.996 1.00 2.33 H new ATOM 0 HG22 VAL A 19 0.020 7.050 -15.683 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -0.519 7.924 -17.137 1.00 2.33 H new ATOM 261 N LEU A 20 2.320 6.647 -16.637 1.00 71.33 N ATOM 262 CA LEU A 20 3.160 6.867 -15.466 1.00 52.24 C ATOM 263 C LEU A 20 2.373 7.695 -14.451 1.00 2.41 C ATOM 264 O LEU A 20 1.886 8.781 -14.780 1.00 61.32 O ATOM 265 CB LEU A 20 4.453 7.604 -15.841 1.00 34.34 C ATOM 266 CG LEU A 20 5.440 7.810 -14.678 1.00 23.03 C ATOM 267 CD1 LEU A 20 5.972 6.468 -14.184 1.00 45.00 C ATOM 268 CD2 LEU A 20 6.584 8.737 -15.084 1.00 31.20 C ATOM 0 H LEU A 20 2.254 7.451 -17.262 1.00 71.33 H new ATOM 0 HA LEU A 20 3.436 5.902 -15.041 1.00 52.24 H new ATOM 0 HB2 LEU A 20 4.956 7.047 -16.631 1.00 34.34 H new ATOM 0 HB3 LEU A 20 4.192 8.578 -16.254 1.00 34.34 H new ATOM 0 HG LEU A 20 4.904 8.288 -13.858 1.00 23.03 H new ATOM 0 HD11 LEU A 20 6.668 6.633 -13.362 1.00 45.00 H new ATOM 0 HD12 LEU A 20 5.142 5.852 -13.838 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.487 5.959 -14.999 1.00 45.00 H new ATOM 0 HD21 LEU A 20 7.265 8.864 -14.243 1.00 31.20 H new ATOM 0 HD22 LEU A 20 7.124 8.302 -15.925 1.00 31.20 H new ATOM 0 HD23 LEU A 20 6.181 9.707 -15.374 1.00 31.20 H new ATOM 280 N VAL A 21 2.226 7.177 -13.235 1.00 52.14 N ATOM 281 CA VAL A 21 1.492 7.880 -12.186 1.00 71.23 C ATOM 282 C VAL A 21 2.441 8.287 -11.063 1.00 12.22 C ATOM 283 O VAL A 21 3.141 7.453 -10.497 1.00 72.33 O ATOM 284 CB VAL A 21 0.353 6.999 -11.609 1.00 12.52 C ATOM 285 CG1 VAL A 21 -0.434 7.751 -10.534 1.00 73.44 C ATOM 286 CG2 VAL A 21 -0.570 6.516 -12.725 1.00 14.24 C ATOM 0 H VAL A 21 2.605 6.274 -12.951 1.00 52.14 H new ATOM 0 HA VAL A 21 1.048 8.771 -12.630 1.00 71.23 H new ATOM 0 HB VAL A 21 0.805 6.126 -11.139 1.00 12.52 H new ATOM 0 HG11 VAL A 21 -1.226 7.110 -10.147 1.00 73.44 H new ATOM 0 HG12 VAL A 21 0.236 8.030 -9.721 1.00 73.44 H new ATOM 0 HG13 VAL A 21 -0.874 8.650 -10.967 1.00 73.44 H new ATOM 0 HG21 VAL A 21 -1.362 5.900 -12.301 1.00 14.24 H new ATOM 0 HG22 VAL A 21 -1.010 7.375 -13.231 1.00 14.24 H new ATOM 0 HG23 VAL A 21 0.003 5.928 -13.442 1.00 14.24 H new ATOM 296 N ASN A 22 2.444 9.567 -10.730 1.00 5.53 N ATOM 297 CA ASN A 22 3.327 10.095 -9.695 1.00 74.14 C ATOM 298 C ASN A 22 2.586 10.207 -8.371 1.00 13.30 C ATOM 299 O ASN A 22 1.355 10.274 -8.343 1.00 42.42 O ATOM 300 CB ASN A 22 3.866 11.479 -10.092 1.00 33.32 C ATOM 301 CG ASN A 22 4.806 11.443 -11.287 1.00 72.42 C ATOM 302 OD1 ASN A 22 4.695 10.585 -12.160 1.00 41.10 O ATOM 303 ND2 ASN A 22 5.741 12.381 -11.333 1.00 14.32 N ATOM 0 H ASN A 22 1.841 10.267 -11.163 1.00 5.53 H new ATOM 0 HA ASN A 22 4.163 9.405 -9.585 1.00 74.14 H new ATOM 0 HB2 ASN A 22 3.026 12.136 -10.320 1.00 33.32 H new ATOM 0 HB3 ASN A 22 4.389 11.914 -9.241 1.00 33.32 H new ATOM 0 HD21 ASN A 22 6.399 12.407 -12.112 1.00 14.32 H new ATOM 0 HD22 ASN A 22 5.802 13.077 -10.590 1.00 14.32 H new ATOM 310 N ASP A 23 3.343 10.238 -7.277 1.00 70.14 N ATOM 311 CA ASP A 23 2.783 10.485 -5.947 1.00 12.10 C ATOM 312 C ASP A 23 2.107 11.854 -5.916 1.00 71.41 C ATOM 313 O ASP A 23 1.242 12.130 -5.084 1.00 71.12 O ATOM 314 CB ASP A 23 3.888 10.417 -4.886 1.00 34.54 C ATOM 315 CG ASP A 23 3.378 10.699 -3.481 1.00 42.35 C ATOM 316 OD1 ASP A 23 2.742 9.801 -2.879 1.00 1.54 O ATOM 317 OD2 ASP A 23 3.604 11.818 -2.971 1.00 24.14 O ATOM 0 H ASP A 23 4.353 10.094 -7.284 1.00 70.14 H new ATOM 0 HA ASP A 23 2.041 9.717 -5.727 1.00 12.10 H new ATOM 0 HB2 ASP A 23 4.346 9.428 -4.909 1.00 34.54 H new ATOM 0 HB3 ASP A 23 4.668 11.136 -5.135 1.00 34.54 H new ATOM 322 N GLU A 24 2.504 12.693 -6.866 1.00 62.34 N ATOM 323 CA GLU A 24 1.961 14.038 -7.029 1.00 11.53 C ATOM 324 C GLU A 24 0.572 13.999 -7.680 1.00 61.53 C ATOM 325 O GLU A 24 0.037 15.036 -8.080 1.00 72.22 O ATOM 326 CB GLU A 24 2.918 14.848 -7.908 1.00 73.32 C ATOM 327 CG GLU A 24 4.370 14.791 -7.445 1.00 13.22 C ATOM 328 CD GLU A 24 5.345 15.204 -8.534 1.00 2.14 C ATOM 329 OE1 GLU A 24 5.438 16.413 -8.829 1.00 51.24 O ATOM 330 OE2 GLU A 24 6.015 14.316 -9.109 1.00 11.22 O ATOM 0 H GLU A 24 3.220 12.456 -7.553 1.00 62.34 H new ATOM 0 HA GLU A 24 1.859 14.501 -6.047 1.00 11.53 H new ATOM 0 HB2 GLU A 24 2.857 14.479 -8.932 1.00 73.32 H new ATOM 0 HB3 GLU A 24 2.591 15.888 -7.924 1.00 73.32 H new ATOM 0 HG2 GLU A 24 4.498 15.443 -6.581 1.00 13.22 H new ATOM 0 HG3 GLU A 24 4.604 13.778 -7.118 1.00 13.22 H new ATOM 337 N GLU A 25 0.014 12.788 -7.801 1.00 62.13 N ATOM 338 CA GLU A 25 -1.301 12.565 -8.408 1.00 0.22 C ATOM 339 C GLU A 25 -1.273 12.864 -9.904 1.00 61.13 C ATOM 340 O GLU A 25 -2.316 13.004 -10.547 1.00 70.13 O ATOM 341 CB GLU A 25 -2.387 13.391 -7.702 1.00 4.34 C ATOM 342 CG GLU A 25 -2.531 13.065 -6.220 1.00 45.50 C ATOM 343 CD GLU A 25 -3.679 13.815 -5.569 1.00 73.30 C ATOM 344 OE1 GLU A 25 -3.510 15.011 -5.256 1.00 32.12 O ATOM 345 OE2 GLU A 25 -4.755 13.214 -5.370 1.00 62.44 O ATOM 0 H GLU A 25 0.466 11.932 -7.478 1.00 62.13 H new ATOM 0 HA GLU A 25 -1.549 11.511 -8.281 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -2.156 14.450 -7.812 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -3.342 13.220 -8.198 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -2.687 11.993 -6.101 1.00 45.50 H new ATOM 0 HG3 GLU A 25 -1.602 13.311 -5.705 1.00 45.50 H new ATOM 352 N GLN A 26 -0.068 12.951 -10.453 1.00 10.22 N ATOM 353 CA GLN A 26 0.109 13.087 -11.892 1.00 54.01 C ATOM 354 C GLN A 26 -0.084 11.723 -12.541 1.00 30.13 C ATOM 355 O GLN A 26 0.240 10.702 -11.939 1.00 21.03 O ATOM 356 CB GLN A 26 1.506 13.634 -12.226 1.00 31.13 C ATOM 357 CG GLN A 26 1.809 14.993 -11.604 1.00 12.34 C ATOM 358 CD GLN A 26 0.827 16.079 -12.018 1.00 24.51 C ATOM 359 OE1 GLN A 26 0.259 16.046 -13.113 1.00 3.34 O ATOM 360 NE2 GLN A 26 0.633 17.060 -11.153 1.00 4.44 N ATOM 0 H GLN A 26 0.802 12.930 -9.922 1.00 10.22 H new ATOM 0 HA GLN A 26 -0.627 13.793 -12.276 1.00 54.01 H new ATOM 0 HB2 GLN A 26 2.255 12.917 -11.889 1.00 31.13 H new ATOM 0 HB3 GLN A 26 1.604 13.712 -13.309 1.00 31.13 H new ATOM 0 HG2 GLN A 26 1.798 14.898 -10.518 1.00 12.34 H new ATOM 0 HG3 GLN A 26 2.817 15.297 -11.887 1.00 12.34 H new ATOM 0 HE21 GLN A 26 1.120 17.054 -10.257 1.00 4.44 H new ATOM 0 HE22 GLN A 26 -0.004 17.823 -11.382 1.00 4.44 H new ATOM 369 N HIS A 27 -0.628 11.702 -13.745 1.00 62.23 N ATOM 370 CA HIS A 27 -0.811 10.452 -14.478 1.00 32.31 C ATOM 371 C HIS A 27 -0.818 10.723 -15.979 1.00 32.43 C ATOM 372 O HIS A 27 -1.806 11.212 -16.528 1.00 70.43 O ATOM 373 CB HIS A 27 -2.100 9.728 -14.034 1.00 4.31 C ATOM 374 CG HIS A 27 -3.366 10.503 -14.258 1.00 71.13 C ATOM 375 ND1 HIS A 27 -4.347 10.103 -15.145 1.00 63.43 N ATOM 376 CD2 HIS A 27 -3.819 11.647 -13.691 1.00 74.11 C ATOM 377 CE1 HIS A 27 -5.343 10.969 -15.114 1.00 60.13 C ATOM 378 NE2 HIS A 27 -5.048 11.914 -14.240 1.00 72.25 N ATOM 0 H HIS A 27 -0.952 12.533 -14.239 1.00 62.23 H new ATOM 0 HA HIS A 27 0.025 9.791 -14.250 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -2.171 8.781 -14.569 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -2.019 9.490 -12.973 1.00 4.31 H new ATOM 0 HD1 HIS A 27 -4.308 9.270 -15.732 1.00 63.43 H new ATOM 0 HD2 HIS A 27 -3.308 12.239 -12.946 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -6.246 10.914 -15.704 1.00 60.13 H new ATOM 387 N SER A 28 0.303 10.422 -16.627 1.00 43.31 N ATOM 388 CA SER A 28 0.471 10.683 -18.050 1.00 70.43 C ATOM 389 C SER A 28 1.760 10.030 -18.556 1.00 3.04 C ATOM 390 O SER A 28 2.382 9.233 -17.848 1.00 45.11 O ATOM 391 CB SER A 28 0.498 12.203 -18.304 1.00 24.32 C ATOM 392 OG SER A 28 0.530 12.503 -19.691 1.00 33.21 O ATOM 0 H SER A 28 1.115 9.993 -16.183 1.00 43.31 H new ATOM 0 HA SER A 28 -0.370 10.253 -18.594 1.00 70.43 H new ATOM 0 HB2 SER A 28 -0.381 12.663 -17.852 1.00 24.32 H new ATOM 0 HB3 SER A 28 1.371 12.638 -17.817 1.00 24.32 H new ATOM 0 HG SER A 28 -0.074 11.898 -20.170 1.00 33.21 H new ATOM 398 N LEU A 29 2.132 10.364 -19.786 1.00 3.41 N ATOM 399 CA LEU A 29 3.350 9.863 -20.418 1.00 62.52 C ATOM 400 C LEU A 29 4.571 10.656 -19.943 1.00 23.32 C ATOM 401 O LEU A 29 4.431 11.738 -19.364 1.00 31.35 O ATOM 402 CB LEU A 29 3.226 9.951 -21.952 1.00 32.03 C ATOM 403 CG LEU A 29 2.190 9.010 -22.605 1.00 23.25 C ATOM 404 CD1 LEU A 29 0.762 9.411 -22.243 1.00 5.44 C ATOM 405 CD2 LEU A 29 2.371 8.979 -24.122 1.00 25.14 C ATOM 0 H LEU A 29 1.593 10.995 -20.379 1.00 3.41 H new ATOM 0 HA LEU A 29 3.483 8.820 -20.131 1.00 62.52 H new ATOM 0 HB2 LEU A 29 2.972 10.977 -22.217 1.00 32.03 H new ATOM 0 HB3 LEU A 29 4.203 9.741 -22.388 1.00 32.03 H new ATOM 0 HG LEU A 29 2.362 8.007 -22.213 1.00 23.25 H new ATOM 0 HD11 LEU A 29 0.060 8.727 -22.720 1.00 5.44 H new ATOM 0 HD12 LEU A 29 0.635 9.366 -21.161 1.00 5.44 H new ATOM 0 HD13 LEU A 29 0.571 10.427 -22.589 1.00 5.44 H new ATOM 0 HD21 LEU A 29 1.632 8.310 -24.563 1.00 25.14 H new ATOM 0 HD22 LEU A 29 2.238 9.983 -24.525 1.00 25.14 H new ATOM 0 HD23 LEU A 29 3.372 8.621 -24.362 1.00 25.14 H new ATOM 417 N TRP A 30 5.764 10.131 -20.216 1.00 23.42 N ATOM 418 CA TRP A 30 7.013 10.733 -19.735 1.00 41.14 C ATOM 419 C TRP A 30 8.128 10.600 -20.779 1.00 34.24 C ATOM 420 O TRP A 30 8.086 9.710 -21.633 1.00 3.43 O ATOM 421 CB TRP A 30 7.438 10.063 -18.415 1.00 13.11 C ATOM 422 CG TRP A 30 7.528 8.566 -18.515 1.00 12.31 C ATOM 423 CD1 TRP A 30 6.481 7.695 -18.582 1.00 71.00 C ATOM 424 CD2 TRP A 30 8.717 7.766 -18.560 1.00 3.12 C ATOM 425 NE1 TRP A 30 6.941 6.410 -18.680 1.00 33.35 N ATOM 426 CE2 TRP A 30 8.308 6.423 -18.670 1.00 25.44 C ATOM 427 CE3 TRP A 30 10.086 8.050 -18.526 1.00 53.21 C ATOM 428 CZ2 TRP A 30 9.210 5.370 -18.748 1.00 51.20 C ATOM 429 CZ3 TRP A 30 10.984 7.002 -18.598 1.00 55.34 C ATOM 430 CH2 TRP A 30 10.545 5.675 -18.713 1.00 73.31 C ATOM 0 H TRP A 30 5.896 9.285 -20.771 1.00 23.42 H new ATOM 0 HA TRP A 30 6.840 11.795 -19.562 1.00 41.14 H new ATOM 0 HB2 TRP A 30 8.406 10.459 -18.109 1.00 13.11 H new ATOM 0 HB3 TRP A 30 6.724 10.327 -17.635 1.00 13.11 H new ATOM 0 HD1 TRP A 30 5.439 7.978 -18.561 1.00 71.00 H new ATOM 0 HE1 TRP A 30 6.358 5.576 -18.749 1.00 33.35 H new ATOM 0 HE3 TRP A 30 10.435 9.069 -18.445 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 8.871 4.348 -18.833 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 12.044 7.209 -18.565 1.00 55.34 H new ATOM 0 HH2 TRP A 30 11.273 4.879 -18.775 1.00 73.31 H new ATOM 441 N PRO A 31 9.138 11.497 -20.741 1.00 52.54 N ATOM 442 CA PRO A 31 10.288 11.429 -21.651 1.00 35.33 C ATOM 443 C PRO A 31 11.159 10.203 -21.367 1.00 43.41 C ATOM 444 O PRO A 31 12.023 10.223 -20.487 1.00 35.31 O ATOM 445 CB PRO A 31 11.052 12.732 -21.376 1.00 30.22 C ATOM 446 CG PRO A 31 10.656 13.120 -19.989 1.00 33.12 C ATOM 447 CD PRO A 31 9.235 12.650 -19.819 1.00 24.30 C ATOM 0 HA PRO A 31 9.988 11.329 -22.694 1.00 35.33 H new ATOM 0 HB2 PRO A 31 12.129 12.583 -21.453 1.00 30.22 H new ATOM 0 HB3 PRO A 31 10.785 13.507 -22.095 1.00 30.22 H new ATOM 0 HG2 PRO A 31 11.312 12.657 -19.252 1.00 33.12 H new ATOM 0 HG3 PRO A 31 10.730 14.198 -19.849 1.00 33.12 H new ATOM 0 HD2 PRO A 31 9.030 12.358 -18.789 1.00 24.30 H new ATOM 0 HD3 PRO A 31 8.520 13.431 -20.078 1.00 24.30 H new ATOM 455 N ALA A 32 10.913 9.137 -22.118 1.00 64.13 N ATOM 456 CA ALA A 32 11.595 7.863 -21.914 1.00 5.22 C ATOM 457 C ALA A 32 13.081 7.949 -22.253 1.00 54.03 C ATOM 458 O ALA A 32 13.869 7.099 -21.836 1.00 51.42 O ATOM 459 CB ALA A 32 10.919 6.773 -22.738 1.00 31.45 C ATOM 0 H ALA A 32 10.238 9.130 -22.883 1.00 64.13 H new ATOM 0 HA ALA A 32 11.522 7.612 -20.856 1.00 5.22 H new ATOM 0 HB1 ALA A 32 11.434 5.825 -22.580 1.00 31.45 H new ATOM 0 HB2 ALA A 32 9.878 6.676 -22.429 1.00 31.45 H new ATOM 0 HB3 ALA A 32 10.961 7.037 -23.795 1.00 31.45 H new ATOM 465 N PHE A 33 13.462 8.973 -23.009 1.00 65.24 N ATOM 466 CA PHE A 33 14.854 9.143 -23.416 1.00 41.30 C ATOM 467 C PHE A 33 15.668 9.799 -22.299 1.00 64.43 C ATOM 468 O PHE A 33 16.894 9.678 -22.257 1.00 54.03 O ATOM 469 CB PHE A 33 14.928 9.984 -24.698 1.00 70.23 C ATOM 470 CG PHE A 33 16.309 10.050 -25.309 1.00 14.54 C ATOM 471 CD1 PHE A 33 16.753 9.045 -26.155 1.00 21.21 C ATOM 472 CD2 PHE A 33 17.160 11.115 -25.038 1.00 34.35 C ATOM 473 CE1 PHE A 33 18.015 9.100 -26.718 1.00 25.54 C ATOM 474 CE2 PHE A 33 18.422 11.173 -25.599 1.00 3.51 C ATOM 475 CZ PHE A 33 18.849 10.165 -26.440 1.00 72.43 C ATOM 0 H PHE A 33 12.830 9.696 -23.352 1.00 65.24 H new ATOM 0 HA PHE A 33 15.280 8.160 -23.615 1.00 41.30 H new ATOM 0 HB2 PHE A 33 14.236 9.571 -25.432 1.00 70.23 H new ATOM 0 HB3 PHE A 33 14.591 10.997 -24.476 1.00 70.23 H new ATOM 0 HD1 PHE A 33 16.106 8.209 -26.377 1.00 21.21 H new ATOM 0 HD2 PHE A 33 16.831 11.907 -24.381 1.00 34.35 H new ATOM 0 HE1 PHE A 33 18.348 8.310 -27.375 1.00 25.54 H new ATOM 0 HE2 PHE A 33 19.073 12.006 -25.380 1.00 3.51 H new ATOM 0 HZ PHE A 33 19.834 10.209 -26.880 1.00 72.43 H new ATOM 485 N ALA A 34 14.976 10.475 -21.389 1.00 11.31 N ATOM 486 CA ALA A 34 15.626 11.195 -20.296 1.00 4.15 C ATOM 487 C ALA A 34 15.659 10.344 -19.029 1.00 15.35 C ATOM 488 O ALA A 34 15.138 9.225 -19.004 1.00 1.33 O ATOM 489 CB ALA A 34 14.909 12.518 -20.037 1.00 42.14 C ATOM 0 H ALA A 34 13.958 10.541 -21.386 1.00 11.31 H new ATOM 0 HA ALA A 34 16.655 11.407 -20.586 1.00 4.15 H new ATOM 0 HB1 ALA A 34 15.402 13.045 -19.221 1.00 42.14 H new ATOM 0 HB2 ALA A 34 14.941 13.132 -20.937 1.00 42.14 H new ATOM 0 HB3 ALA A 34 13.871 12.323 -19.768 1.00 42.14 H new ATOM 495 N ASP A 35 16.297 10.874 -17.988 1.00 65.10 N ATOM 496 CA ASP A 35 16.339 10.215 -16.683 1.00 21.44 C ATOM 497 C ASP A 35 15.030 10.459 -15.936 1.00 35.34 C ATOM 498 O ASP A 35 14.494 11.567 -15.957 1.00 10.32 O ATOM 499 CB ASP A 35 17.523 10.727 -15.846 1.00 10.33 C ATOM 500 CG ASP A 35 18.873 10.272 -16.383 1.00 71.31 C ATOM 501 OD1 ASP A 35 19.430 10.945 -17.280 1.00 62.15 O ATOM 502 OD2 ASP A 35 19.390 9.240 -15.899 1.00 74.13 O ATOM 0 H ASP A 35 16.795 11.763 -18.023 1.00 65.10 H new ATOM 0 HA ASP A 35 16.471 9.145 -16.843 1.00 21.44 H new ATOM 0 HB2 ASP A 35 17.497 11.816 -15.819 1.00 10.33 H new ATOM 0 HB3 ASP A 35 17.411 10.380 -14.819 1.00 10.33 H new ATOM 507 N VAL A 36 14.522 9.425 -15.278 1.00 51.02 N ATOM 508 CA VAL A 36 13.255 9.516 -14.560 1.00 14.20 C ATOM 509 C VAL A 36 13.515 9.603 -13.041 1.00 74.22 C ATOM 510 O VAL A 36 14.289 8.814 -12.493 1.00 4.35 O ATOM 511 CB VAL A 36 12.337 8.309 -14.922 1.00 52.15 C ATOM 512 CG1 VAL A 36 12.867 6.998 -14.349 1.00 54.14 C ATOM 513 CG2 VAL A 36 10.893 8.558 -14.494 1.00 3.12 C ATOM 0 H VAL A 36 14.969 8.510 -15.226 1.00 51.02 H new ATOM 0 HA VAL A 36 12.734 10.424 -14.862 1.00 14.20 H new ATOM 0 HB VAL A 36 12.349 8.214 -16.008 1.00 52.15 H new ATOM 0 HG11 VAL A 36 12.197 6.183 -14.625 1.00 54.14 H new ATOM 0 HG12 VAL A 36 13.862 6.802 -14.749 1.00 54.14 H new ATOM 0 HG13 VAL A 36 12.921 7.071 -13.263 1.00 54.14 H new ATOM 0 HG21 VAL A 36 10.281 7.697 -14.761 1.00 3.12 H new ATOM 0 HG22 VAL A 36 10.854 8.710 -13.415 1.00 3.12 H new ATOM 0 HG23 VAL A 36 10.512 9.445 -14.999 1.00 3.12 H new ATOM 523 N PRO A 37 12.901 10.590 -12.351 1.00 42.20 N ATOM 524 CA PRO A 37 13.197 10.890 -10.931 1.00 21.34 C ATOM 525 C PRO A 37 12.576 9.902 -9.934 1.00 1.14 C ATOM 526 O PRO A 37 12.131 8.824 -10.303 1.00 71.23 O ATOM 527 CB PRO A 37 12.577 12.277 -10.746 1.00 33.33 C ATOM 528 CG PRO A 37 11.436 12.308 -11.705 1.00 74.14 C ATOM 529 CD PRO A 37 11.881 11.508 -12.902 1.00 3.15 C ATOM 0 HA PRO A 37 14.267 10.826 -10.732 1.00 21.34 H new ATOM 0 HB2 PRO A 37 12.238 12.426 -9.721 1.00 33.33 H new ATOM 0 HB3 PRO A 37 13.298 13.066 -10.961 1.00 33.33 H new ATOM 0 HG2 PRO A 37 10.539 11.878 -11.259 1.00 74.14 H new ATOM 0 HG3 PRO A 37 11.192 13.332 -11.988 1.00 74.14 H new ATOM 0 HD2 PRO A 37 11.051 10.962 -13.350 1.00 3.15 H new ATOM 0 HD3 PRO A 37 12.297 12.149 -13.680 1.00 3.15 H new ATOM 537 N ALA A 38 12.633 10.255 -8.655 1.00 5.25 N ATOM 538 CA ALA A 38 11.935 9.521 -7.600 1.00 34.34 C ATOM 539 C ALA A 38 10.478 9.976 -7.482 1.00 32.33 C ATOM 540 O ALA A 38 10.149 11.121 -7.808 1.00 13.31 O ATOM 541 CB ALA A 38 12.656 9.708 -6.271 1.00 11.05 C ATOM 0 H ALA A 38 13.164 11.058 -8.318 1.00 5.25 H new ATOM 0 HA ALA A 38 11.936 8.463 -7.862 1.00 34.34 H new ATOM 0 HB1 ALA A 38 12.130 9.158 -5.491 1.00 11.05 H new ATOM 0 HB2 ALA A 38 13.676 9.333 -6.354 1.00 11.05 H new ATOM 0 HB3 ALA A 38 12.679 10.767 -6.016 1.00 11.05 H new ATOM 547 N GLY A 39 9.607 9.081 -7.017 1.00 34.21 N ATOM 548 CA GLY A 39 8.261 9.483 -6.630 1.00 13.01 C ATOM 549 C GLY A 39 7.192 9.172 -7.662 1.00 60.32 C ATOM 550 O GLY A 39 6.171 9.864 -7.724 1.00 53.32 O ATOM 0 H GLY A 39 9.807 8.088 -6.901 1.00 34.21 H new ATOM 0 HA2 GLY A 39 8.001 8.986 -5.695 1.00 13.01 H new ATOM 0 HA3 GLY A 39 8.258 10.555 -6.433 1.00 13.01 H new ATOM 554 N TRP A 40 7.414 8.150 -8.478 1.00 51.51 N ATOM 555 CA TRP A 40 6.411 7.718 -9.447 1.00 73.43 C ATOM 556 C TRP A 40 6.181 6.214 -9.369 1.00 13.52 C ATOM 557 O TRP A 40 6.868 5.497 -8.637 1.00 74.51 O ATOM 558 CB TRP A 40 6.828 8.104 -10.874 1.00 45.14 C ATOM 559 CG TRP A 40 8.215 7.661 -11.237 1.00 44.13 C ATOM 560 CD1 TRP A 40 9.326 8.442 -11.251 1.00 34.43 C ATOM 561 CD2 TRP A 40 8.645 6.345 -11.633 1.00 12.14 C ATOM 562 NE1 TRP A 40 10.417 7.705 -11.625 1.00 74.20 N ATOM 563 CE2 TRP A 40 10.028 6.414 -11.862 1.00 71.13 C ATOM 564 CE3 TRP A 40 7.998 5.115 -11.811 1.00 32.41 C ATOM 565 CZ2 TRP A 40 10.778 5.310 -12.260 1.00 14.53 C ATOM 566 CZ3 TRP A 40 8.742 4.020 -12.207 1.00 71.15 C ATOM 567 CH2 TRP A 40 10.119 4.123 -12.426 1.00 62.31 C ATOM 0 H TRP A 40 8.276 7.605 -8.490 1.00 51.51 H new ATOM 0 HA TRP A 40 5.479 8.226 -9.200 1.00 73.43 H new ATOM 0 HB2 TRP A 40 6.121 7.669 -11.580 1.00 45.14 H new ATOM 0 HB3 TRP A 40 6.762 9.187 -10.982 1.00 45.14 H new ATOM 0 HD1 TRP A 40 9.346 9.493 -11.003 1.00 34.43 H new ATOM 0 HE1 TRP A 40 11.369 8.061 -11.713 1.00 74.20 H new ATOM 0 HE3 TRP A 40 6.935 5.024 -11.641 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 11.841 5.388 -12.431 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 8.251 3.068 -12.350 1.00 71.15 H new ATOM 0 HH2 TRP A 40 10.673 3.248 -12.732 1.00 62.31 H new ATOM 578 N ARG A 41 5.205 5.759 -10.139 1.00 24.31 N ATOM 579 CA ARG A 41 4.907 4.349 -10.300 1.00 20.05 C ATOM 580 C ARG A 41 4.222 4.164 -11.651 1.00 55.23 C ATOM 581 O ARG A 41 3.222 4.826 -11.940 1.00 13.03 O ATOM 582 CB ARG A 41 3.995 3.860 -9.163 1.00 53.34 C ATOM 583 CG ARG A 41 3.795 2.347 -9.128 1.00 52.42 C ATOM 584 CD ARG A 41 2.875 1.928 -7.984 1.00 12.34 C ATOM 585 NE ARG A 41 3.269 2.548 -6.716 1.00 63.22 N ATOM 586 CZ ARG A 41 4.001 1.947 -5.774 1.00 44.45 C ATOM 587 NH1 ARG A 41 4.409 0.689 -5.931 1.00 42.12 N ATOM 588 NH2 ARG A 41 4.324 2.609 -4.668 1.00 31.14 N ATOM 0 H ARG A 41 4.590 6.370 -10.677 1.00 24.31 H new ATOM 0 HA ARG A 41 5.826 3.764 -10.262 1.00 20.05 H new ATOM 0 HB2 ARG A 41 4.416 4.182 -8.211 1.00 53.34 H new ATOM 0 HB3 ARG A 41 3.022 4.342 -9.260 1.00 53.34 H new ATOM 0 HG2 ARG A 41 3.373 2.013 -10.076 1.00 52.42 H new ATOM 0 HG3 ARG A 41 4.761 1.854 -9.018 1.00 52.42 H new ATOM 0 HD2 ARG A 41 1.849 2.207 -8.222 1.00 12.34 H new ATOM 0 HD3 ARG A 41 2.895 0.843 -7.880 1.00 12.34 H new ATOM 0 HE ARG A 41 2.963 3.505 -6.540 1.00 63.22 H new ATOM 0 HH11 ARG A 41 4.163 0.175 -6.777 1.00 42.12 H new ATOM 0 HH12 ARG A 41 4.968 0.240 -5.205 1.00 42.12 H new ATOM 0 HH21 ARG A 41 4.013 3.572 -4.541 1.00 31.14 H new ATOM 0 HH22 ARG A 41 4.883 2.154 -3.946 1.00 31.14 H new ATOM 602 N VAL A 42 4.753 3.278 -12.481 1.00 41.41 N ATOM 603 CA VAL A 42 4.194 3.050 -13.805 1.00 54.33 C ATOM 604 C VAL A 42 3.153 1.936 -13.740 1.00 41.04 C ATOM 605 O VAL A 42 3.397 0.890 -13.138 1.00 60.22 O ATOM 606 CB VAL A 42 5.301 2.703 -14.841 1.00 3.04 C ATOM 607 CG1 VAL A 42 6.023 1.404 -14.475 1.00 41.04 C ATOM 608 CG2 VAL A 42 4.716 2.637 -16.251 1.00 13.44 C ATOM 0 H VAL A 42 5.569 2.706 -12.261 1.00 41.41 H new ATOM 0 HA VAL A 42 3.715 3.971 -14.136 1.00 54.33 H new ATOM 0 HB VAL A 42 6.044 3.500 -14.820 1.00 3.04 H new ATOM 0 HG11 VAL A 42 6.790 1.192 -15.220 1.00 41.04 H new ATOM 0 HG12 VAL A 42 6.488 1.510 -13.495 1.00 41.04 H new ATOM 0 HG13 VAL A 42 5.306 0.584 -14.449 1.00 41.04 H new ATOM 0 HG21 VAL A 42 5.506 2.393 -16.962 1.00 13.44 H new ATOM 0 HG22 VAL A 42 3.944 1.869 -16.289 1.00 13.44 H new ATOM 0 HG23 VAL A 42 4.281 3.602 -16.510 1.00 13.44 H new ATOM 618 N VAL A 43 1.981 2.169 -14.331 1.00 12.04 N ATOM 619 CA VAL A 43 0.912 1.163 -14.317 1.00 4.12 C ATOM 620 C VAL A 43 1.028 0.277 -15.554 1.00 0.32 C ATOM 621 O VAL A 43 0.561 -0.863 -15.579 1.00 14.03 O ATOM 622 CB VAL A 43 -0.487 1.823 -14.261 1.00 51.33 C ATOM 623 CG1 VAL A 43 -1.589 0.768 -14.150 1.00 51.05 C ATOM 624 CG2 VAL A 43 -0.563 2.817 -13.100 1.00 73.33 C ATOM 0 H VAL A 43 1.747 3.033 -14.820 1.00 12.04 H new ATOM 0 HA VAL A 43 1.026 0.555 -13.420 1.00 4.12 H new ATOM 0 HB VAL A 43 -0.643 2.369 -15.191 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -2.561 1.260 -14.112 1.00 51.05 H new ATOM 0 HG12 VAL A 43 -1.549 0.108 -15.017 1.00 51.05 H new ATOM 0 HG13 VAL A 43 -1.443 0.183 -13.242 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -1.553 3.272 -13.075 1.00 73.33 H new ATOM 0 HG22 VAL A 43 -0.380 2.294 -12.161 1.00 73.33 H new ATOM 0 HG23 VAL A 43 0.190 3.593 -13.236 1.00 73.33 H new ATOM 634 N HIS A 44 1.659 0.837 -16.577 1.00 64.55 N ATOM 635 CA HIS A 44 1.985 0.126 -17.807 1.00 44.42 C ATOM 636 C HIS A 44 2.894 1.023 -18.641 1.00 73.35 C ATOM 637 O HIS A 44 2.592 2.214 -18.824 1.00 2.12 O ATOM 638 CB HIS A 44 0.716 -0.272 -18.585 1.00 33.41 C ATOM 639 CG HIS A 44 0.479 -1.757 -18.642 1.00 64.22 C ATOM 640 ND1 HIS A 44 -0.102 -2.469 -17.613 1.00 63.31 N ATOM 641 CD2 HIS A 44 0.742 -2.665 -19.615 1.00 24.33 C ATOM 642 CE1 HIS A 44 -0.187 -3.743 -17.952 1.00 61.35 C ATOM 643 NE2 HIS A 44 0.316 -3.888 -19.161 1.00 12.24 N ATOM 0 H HIS A 44 1.963 1.811 -16.577 1.00 64.55 H new ATOM 0 HA HIS A 44 2.499 -0.805 -17.570 1.00 44.42 H new ATOM 0 HB2 HIS A 44 -0.147 0.207 -18.123 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.788 0.114 -19.602 1.00 33.41 H new ATOM 0 HD1 HIS A 44 -0.417 -2.073 -16.727 1.00 63.31 H new ATOM 0 HD2 HIS A 44 1.202 -2.463 -20.571 1.00 24.33 H new ATOM 0 HE1 HIS A 44 -0.599 -4.532 -17.341 1.00 61.35 H new ATOM 652 N GLY A 45 4.000 0.443 -19.120 1.00 42.11 N ATOM 653 CA GLY A 45 5.094 1.211 -19.699 1.00 12.53 C ATOM 654 C GLY A 45 4.793 1.778 -21.072 1.00 61.03 C ATOM 655 O GLY A 45 4.230 1.092 -21.916 1.00 13.13 O ATOM 0 H GLY A 45 4.156 -0.565 -19.115 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.344 2.031 -19.026 1.00 12.53 H new ATOM 0 HA3 GLY A 45 5.976 0.574 -19.766 1.00 12.53 H new ATOM 659 N GLU A 46 5.243 3.015 -21.282 1.00 70.20 N ATOM 660 CA GLU A 46 5.003 3.805 -22.499 1.00 12.32 C ATOM 661 C GLU A 46 4.746 2.969 -23.762 1.00 41.42 C ATOM 662 O GLU A 46 5.566 2.131 -24.157 1.00 12.04 O ATOM 663 CB GLU A 46 6.210 4.707 -22.748 1.00 10.22 C ATOM 664 CG GLU A 46 6.449 5.752 -21.672 1.00 43.31 C ATOM 665 CD GLU A 46 5.357 6.804 -21.622 1.00 74.34 C ATOM 666 OE1 GLU A 46 4.338 6.576 -20.939 1.00 5.12 O ATOM 667 OE2 GLU A 46 5.527 7.866 -22.262 1.00 62.12 O ATOM 0 H GLU A 46 5.803 3.514 -20.591 1.00 70.20 H new ATOM 0 HA GLU A 46 4.091 4.374 -22.316 1.00 12.32 H new ATOM 0 HB2 GLU A 46 7.100 4.085 -22.836 1.00 10.22 H new ATOM 0 HB3 GLU A 46 6.078 5.213 -23.705 1.00 10.22 H new ATOM 0 HG2 GLU A 46 6.517 5.259 -20.702 1.00 43.31 H new ATOM 0 HG3 GLU A 46 7.408 6.238 -21.851 1.00 43.31 H new ATOM 674 N ALA A 47 3.610 3.242 -24.395 1.00 23.10 N ATOM 675 CA ALA A 47 3.232 2.633 -25.667 1.00 63.51 C ATOM 676 C ALA A 47 2.773 3.716 -26.629 1.00 73.41 C ATOM 677 O ALA A 47 2.858 4.908 -26.315 1.00 62.32 O ATOM 678 CB ALA A 47 2.133 1.594 -25.486 1.00 61.02 C ATOM 0 H ALA A 47 2.918 3.899 -24.036 1.00 23.10 H new ATOM 0 HA ALA A 47 4.105 2.122 -26.074 1.00 63.51 H new ATOM 0 HB1 ALA A 47 1.878 1.162 -26.454 1.00 61.02 H new ATOM 0 HB2 ALA A 47 2.483 0.807 -24.818 1.00 61.02 H new ATOM 0 HB3 ALA A 47 1.251 2.069 -25.056 1.00 61.02 H new ATOM 684 N ASP A 48 2.337 3.303 -27.813 1.00 43.44 N ATOM 685 CA ASP A 48 1.804 4.231 -28.802 1.00 51.31 C ATOM 686 C ASP A 48 0.702 5.103 -28.197 1.00 41.22 C ATOM 687 O ASP A 48 0.002 4.696 -27.246 1.00 41.42 O ATOM 688 CB ASP A 48 1.253 3.474 -30.016 1.00 34.15 C ATOM 689 CG ASP A 48 2.338 2.744 -30.791 1.00 34.52 C ATOM 690 OD1 ASP A 48 2.955 3.361 -31.687 1.00 44.10 O ATOM 691 OD2 ASP A 48 2.577 1.549 -30.511 1.00 61.52 O ATOM 0 H ASP A 48 2.342 2.328 -28.112 1.00 43.44 H new ATOM 0 HA ASP A 48 2.623 4.874 -29.126 1.00 51.31 H new ATOM 0 HB2 ASP A 48 0.504 2.756 -29.682 1.00 34.15 H new ATOM 0 HB3 ASP A 48 0.748 4.176 -30.679 1.00 34.15 H new ATOM 696 N ARG A 49 0.542 6.295 -28.768 1.00 53.53 N ATOM 697 CA ARG A 49 -0.418 7.265 -28.269 1.00 35.31 C ATOM 698 C ARG A 49 -1.804 6.640 -28.186 1.00 63.41 C ATOM 699 O ARG A 49 -2.584 6.993 -27.326 1.00 64.05 O ATOM 700 CB ARG A 49 -0.462 8.513 -29.165 1.00 64.50 C ATOM 701 CG ARG A 49 -1.161 9.701 -28.509 1.00 25.32 C ATOM 702 CD ARG A 49 -1.428 10.838 -29.491 1.00 61.13 C ATOM 703 NE ARG A 49 -2.512 10.519 -30.425 1.00 44.12 N ATOM 704 CZ ARG A 49 -3.403 11.407 -30.876 1.00 64.24 C ATOM 705 NH1 ARG A 49 -3.319 12.685 -30.522 1.00 24.55 N ATOM 706 NH2 ARG A 49 -4.377 11.010 -31.686 1.00 74.33 N ATOM 0 H ARG A 49 1.071 6.609 -29.582 1.00 53.53 H new ATOM 0 HA ARG A 49 -0.100 7.569 -27.272 1.00 35.31 H new ATOM 0 HB2 ARG A 49 0.556 8.799 -29.428 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -0.974 8.267 -30.095 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -2.105 9.369 -28.077 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -0.547 10.071 -27.688 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -1.682 11.742 -28.937 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -0.518 11.053 -30.052 1.00 61.13 H new ATOM 0 HE ARG A 49 -2.591 9.556 -30.752 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -2.571 12.994 -29.902 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -4.003 13.357 -30.870 1.00 24.55 H new ATOM 0 HH21 ARG A 49 -4.443 10.030 -31.962 1.00 74.33 H new ATOM 0 HH22 ARG A 49 -5.059 11.685 -32.032 1.00 74.33 H new ATOM 720 N ALA A 50 -2.089 5.699 -29.085 1.00 72.03 N ATOM 721 CA ALA A 50 -3.369 4.986 -29.086 1.00 51.03 C ATOM 722 C ALA A 50 -3.516 4.120 -27.832 1.00 12.03 C ATOM 723 O ALA A 50 -4.558 4.114 -27.185 1.00 12.24 O ATOM 724 CB ALA A 50 -3.491 4.126 -30.339 1.00 12.12 C ATOM 0 H ALA A 50 -1.449 5.411 -29.825 1.00 72.03 H new ATOM 0 HA ALA A 50 -4.170 5.725 -29.084 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -4.446 3.601 -30.328 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -3.436 4.761 -31.223 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -2.678 3.400 -30.363 1.00 12.12 H new ATOM 730 N ALA A 51 -2.453 3.401 -27.496 1.00 52.32 N ATOM 731 CA ALA A 51 -2.435 2.502 -26.340 1.00 4.44 C ATOM 732 C ALA A 51 -2.624 3.274 -25.023 1.00 42.22 C ATOM 733 O ALA A 51 -3.310 2.798 -24.061 1.00 11.11 O ATOM 734 CB ALA A 51 -1.129 1.737 -26.346 1.00 13.05 C ATOM 0 H ALA A 51 -1.575 3.422 -28.016 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.268 1.803 -26.412 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.099 1.062 -25.491 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -1.050 1.160 -27.267 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -0.296 2.438 -26.285 1.00 13.05 H new ATOM 740 N CYS A 52 -1.961 4.442 -24.985 1.00 32.44 N ATOM 741 CA CYS A 52 -2.063 5.396 -23.877 1.00 51.42 C ATOM 742 C CYS A 52 -3.411 6.144 -23.871 1.00 23.32 C ATOM 743 O CYS A 52 -3.967 6.421 -22.810 1.00 3.22 O ATOM 744 CB CYS A 52 -0.901 6.393 -23.950 1.00 61.32 C ATOM 745 SG CYS A 52 0.734 5.618 -23.914 1.00 33.32 S ATOM 0 H CYS A 52 -1.336 4.749 -25.730 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.009 4.832 -22.946 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -0.995 6.979 -24.865 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -0.980 7.090 -23.116 1.00 61.32 H new ATOM 0 HG CYS A 52 1.204 5.540 -25.124 1.00 33.32 H new ATOM 751 N LEU A 53 -3.922 6.490 -25.055 1.00 43.35 N ATOM 752 CA LEU A 53 -5.196 7.213 -25.159 1.00 74.32 C ATOM 753 C LEU A 53 -6.337 6.300 -24.770 1.00 2.01 C ATOM 754 O LEU A 53 -7.239 6.695 -24.035 1.00 41.12 O ATOM 755 CB LEU A 53 -5.438 7.772 -26.573 1.00 44.01 C ATOM 756 CG LEU A 53 -4.653 9.044 -26.938 1.00 62.22 C ATOM 757 CD1 LEU A 53 -5.026 9.515 -28.341 1.00 70.12 C ATOM 758 CD2 LEU A 53 -4.898 10.150 -25.912 1.00 15.11 C ATOM 0 H LEU A 53 -3.479 6.284 -25.950 1.00 43.35 H new ATOM 0 HA LEU A 53 -5.145 8.061 -24.476 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -5.190 6.996 -27.297 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -6.502 7.982 -26.682 1.00 44.01 H new ATOM 0 HG LEU A 53 -3.590 8.805 -26.926 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -4.462 10.416 -28.584 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -4.789 8.733 -29.062 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -6.093 9.733 -28.380 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -4.332 11.038 -26.192 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -5.961 10.391 -25.883 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -4.576 9.811 -24.927 1.00 15.11 H new ATOM 770 N GLU A 54 -6.302 5.077 -25.263 1.00 54.41 N ATOM 771 CA GLU A 54 -7.292 4.103 -24.869 1.00 14.33 C ATOM 772 C GLU A 54 -7.100 3.713 -23.407 1.00 52.22 C ATOM 773 O GLU A 54 -8.063 3.322 -22.770 1.00 22.30 O ATOM 774 CB GLU A 54 -7.301 2.882 -25.787 1.00 0.25 C ATOM 775 CG GLU A 54 -8.245 2.989 -26.983 1.00 41.53 C ATOM 776 CD GLU A 54 -7.869 4.090 -27.956 1.00 73.12 C ATOM 777 OE1 GLU A 54 -7.081 3.819 -28.889 1.00 55.44 O ATOM 778 OE2 GLU A 54 -8.380 5.220 -27.811 1.00 65.32 O ATOM 0 H GLU A 54 -5.606 4.740 -25.929 1.00 54.41 H new ATOM 0 HA GLU A 54 -8.273 4.566 -24.972 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -6.289 2.713 -26.154 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -7.577 2.006 -25.201 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -8.257 2.036 -27.512 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -9.258 3.165 -26.621 1.00 41.53 H new ATOM 785 N TYR A 55 -5.875 3.824 -22.845 1.00 63.34 N ATOM 786 CA TYR A 55 -5.782 3.824 -21.367 1.00 53.30 C ATOM 787 C TYR A 55 -6.845 4.749 -20.737 1.00 12.43 C ATOM 788 O TYR A 55 -7.703 4.281 -19.982 1.00 25.40 O ATOM 789 CB TYR A 55 -4.373 4.250 -20.892 1.00 54.33 C ATOM 790 CG TYR A 55 -4.350 5.102 -19.623 1.00 33.53 C ATOM 791 CD1 TYR A 55 -4.728 4.576 -18.391 1.00 42.04 C ATOM 792 CD2 TYR A 55 -3.951 6.438 -19.665 1.00 54.33 C ATOM 793 CE1 TYR A 55 -4.715 5.356 -17.248 1.00 5.14 C ATOM 794 CE2 TYR A 55 -3.935 7.219 -18.524 1.00 14.43 C ATOM 795 CZ TYR A 55 -4.316 6.673 -17.319 1.00 71.24 C ATOM 796 OH TYR A 55 -4.298 7.449 -16.175 1.00 1.32 O ATOM 0 H TYR A 55 -4.993 3.909 -23.350 1.00 63.34 H new ATOM 0 HA TYR A 55 -5.968 2.802 -21.037 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -3.777 3.353 -20.721 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -3.888 4.806 -21.694 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -5.036 3.543 -18.326 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -3.649 6.871 -20.607 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -5.017 4.933 -16.301 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -3.625 8.252 -18.578 1.00 14.43 H new ATOM 0 HH TYR A 55 -4.119 6.881 -15.397 1.00 1.32 H new ATOM 806 N ILE A 56 -6.795 6.047 -21.040 1.00 72.14 N ATOM 807 CA ILE A 56 -7.721 7.007 -20.420 1.00 54.34 C ATOM 808 C ILE A 56 -9.157 6.786 -20.903 1.00 35.30 C ATOM 809 O ILE A 56 -10.112 6.935 -20.134 1.00 14.25 O ATOM 810 CB ILE A 56 -7.289 8.490 -20.653 1.00 50.34 C ATOM 811 CG1 ILE A 56 -8.446 9.453 -20.321 1.00 13.53 C ATOM 812 CG2 ILE A 56 -6.796 8.716 -22.078 1.00 54.41 C ATOM 813 CD1 ILE A 56 -8.078 10.920 -20.434 1.00 32.34 C ATOM 0 H ILE A 56 -6.135 6.457 -21.701 1.00 72.14 H new ATOM 0 HA ILE A 56 -7.682 6.822 -19.346 1.00 54.34 H new ATOM 0 HB ILE A 56 -6.458 8.698 -19.980 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -9.281 9.246 -20.990 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -8.792 9.253 -19.307 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -6.505 9.759 -22.201 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -5.937 8.074 -22.272 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -7.594 8.477 -22.781 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -8.944 11.533 -20.185 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -7.264 11.145 -19.745 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -7.761 11.138 -21.454 1.00 32.34 H new ATOM 825 N GLU A 57 -9.303 6.414 -22.167 1.00 31.32 N ATOM 826 CA GLU A 57 -10.615 6.163 -22.758 1.00 13.01 C ATOM 827 C GLU A 57 -11.305 4.995 -22.042 1.00 51.21 C ATOM 828 O GLU A 57 -12.495 5.054 -21.725 1.00 71.31 O ATOM 829 CB GLU A 57 -10.448 5.858 -24.251 1.00 52.35 C ATOM 830 CG GLU A 57 -11.752 5.811 -25.041 1.00 14.33 C ATOM 831 CD GLU A 57 -12.378 7.184 -25.214 1.00 72.01 C ATOM 832 OE1 GLU A 57 -11.953 7.924 -26.126 1.00 43.21 O ATOM 833 OE2 GLU A 57 -13.296 7.534 -24.441 1.00 53.13 O ATOM 0 H GLU A 57 -8.523 6.278 -22.810 1.00 31.32 H new ATOM 0 HA GLU A 57 -11.241 7.048 -22.643 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -9.799 6.614 -24.692 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -9.940 4.900 -24.358 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -11.563 5.375 -26.022 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -12.458 5.155 -24.532 1.00 14.33 H new ATOM 840 N GLU A 58 -10.525 3.952 -21.783 1.00 12.22 N ATOM 841 CA GLU A 58 -10.983 2.769 -21.057 1.00 60.15 C ATOM 842 C GLU A 58 -11.294 3.119 -19.601 1.00 33.10 C ATOM 843 O GLU A 58 -12.267 2.632 -19.024 1.00 31.32 O ATOM 844 CB GLU A 58 -9.893 1.689 -21.125 1.00 74.11 C ATOM 845 CG GLU A 58 -9.822 0.950 -22.459 1.00 63.14 C ATOM 846 CD GLU A 58 -11.069 0.133 -22.750 1.00 0.13 C ATOM 847 OE1 GLU A 58 -11.312 -0.853 -22.023 1.00 52.44 O ATOM 848 OE2 GLU A 58 -11.803 0.471 -23.707 1.00 74.42 O ATOM 0 H GLU A 58 -9.548 3.901 -22.073 1.00 12.22 H new ATOM 0 HA GLU A 58 -11.898 2.395 -21.516 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -8.926 2.152 -20.928 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -10.067 0.964 -20.330 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -9.672 1.673 -23.261 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -8.954 0.291 -22.457 1.00 63.14 H new ATOM 855 N HIS A 59 -10.439 3.961 -19.014 1.00 11.51 N ATOM 856 CA HIS A 59 -10.638 4.475 -17.652 1.00 45.14 C ATOM 857 C HIS A 59 -10.419 3.373 -16.605 1.00 52.43 C ATOM 858 O HIS A 59 -10.710 3.565 -15.422 1.00 13.30 O ATOM 859 CB HIS A 59 -12.049 5.095 -17.516 1.00 40.10 C ATOM 860 CG HIS A 59 -12.218 6.011 -16.337 1.00 63.15 C ATOM 861 ND1 HIS A 59 -12.126 7.382 -16.436 1.00 32.20 N ATOM 862 CD2 HIS A 59 -12.490 5.751 -15.035 1.00 71.52 C ATOM 863 CE1 HIS A 59 -12.333 7.921 -15.251 1.00 40.20 C ATOM 864 NE2 HIS A 59 -12.557 6.955 -14.383 1.00 25.42 N ATOM 0 H HIS A 59 -9.592 4.306 -19.466 1.00 11.51 H new ATOM 0 HA HIS A 59 -9.898 5.254 -17.468 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -12.277 5.650 -18.426 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -12.780 4.290 -17.442 1.00 40.10 H new ATOM 0 HD2 HIS A 59 -12.628 4.775 -14.593 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -12.321 8.978 -15.029 1.00 40.20 H new ATOM 0 HE2 HIS A 59 -12.749 7.082 -13.389 1.00 25.42 H new ATOM 873 N TRP A 60 -9.874 2.239 -17.052 1.00 72.13 N ATOM 874 CA TRP A 60 -9.605 1.080 -16.190 1.00 71.34 C ATOM 875 C TRP A 60 -10.894 0.428 -15.687 1.00 40.15 C ATOM 876 O TRP A 60 -11.652 1.040 -14.932 1.00 70.12 O ATOM 877 CB TRP A 60 -8.727 1.450 -14.977 1.00 31.04 C ATOM 878 CG TRP A 60 -7.276 1.659 -15.296 1.00 11.01 C ATOM 879 CD1 TRP A 60 -6.532 0.986 -16.219 1.00 44.10 C ATOM 880 CD2 TRP A 60 -6.384 2.577 -14.655 1.00 62.15 C ATOM 881 NE1 TRP A 60 -5.240 1.448 -16.211 1.00 64.53 N ATOM 882 CE2 TRP A 60 -5.123 2.421 -15.255 1.00 60.21 C ATOM 883 CE3 TRP A 60 -6.534 3.523 -13.636 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -4.018 3.173 -14.870 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -5.435 4.268 -13.256 1.00 24.12 C ATOM 886 CH2 TRP A 60 -4.191 4.090 -13.870 1.00 3.21 C ATOM 0 H TRP A 60 -9.605 2.096 -18.025 1.00 72.13 H new ATOM 0 HA TRP A 60 -9.065 0.368 -16.815 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -9.121 2.360 -14.525 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -8.811 0.661 -14.230 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -6.905 0.203 -16.863 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -4.489 1.120 -16.818 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -7.490 3.668 -13.156 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -3.057 3.038 -15.344 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -5.538 5.002 -12.470 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -3.351 4.688 -13.548 1.00 3.21 H new ATOM 897 N PRO A 61 -11.163 -0.825 -16.101 1.00 53.15 N ATOM 898 CA PRO A 61 -12.209 -1.640 -15.483 1.00 60.42 C ATOM 899 C PRO A 61 -11.775 -2.073 -14.080 1.00 63.32 C ATOM 900 O PRO A 61 -10.640 -2.518 -13.892 1.00 74.04 O ATOM 901 CB PRO A 61 -12.332 -2.848 -16.426 1.00 23.13 C ATOM 902 CG PRO A 61 -10.996 -2.950 -17.084 1.00 54.12 C ATOM 903 CD PRO A 61 -10.480 -1.537 -17.203 1.00 12.01 C ATOM 0 HA PRO A 61 -13.155 -1.113 -15.360 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -12.573 -3.757 -15.876 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -13.125 -2.699 -17.159 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -10.317 -3.565 -16.494 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -11.079 -3.419 -18.065 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -9.396 -1.495 -17.096 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -10.722 -1.102 -18.173 1.00 12.01 H new ATOM 911 N ASP A 62 -12.674 -1.960 -13.106 1.00 32.11 N ATOM 912 CA ASP A 62 -12.332 -2.205 -11.698 1.00 14.31 C ATOM 913 C ASP A 62 -12.101 -3.696 -11.401 1.00 34.34 C ATOM 914 O ASP A 62 -12.094 -4.108 -10.239 1.00 74.44 O ATOM 915 CB ASP A 62 -13.422 -1.634 -10.772 1.00 44.51 C ATOM 916 CG ASP A 62 -14.772 -2.312 -10.945 1.00 24.42 C ATOM 917 OD1 ASP A 62 -15.347 -2.234 -12.055 1.00 61.41 O ATOM 918 OD2 ASP A 62 -15.266 -2.935 -9.981 1.00 14.01 O ATOM 0 H ASP A 62 -13.648 -1.700 -13.261 1.00 32.11 H new ATOM 0 HA ASP A 62 -11.391 -1.691 -11.503 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -13.100 -1.739 -9.736 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -13.531 -0.567 -10.966 1.00 44.51 H new ATOM 923 N ILE A 63 -11.907 -4.500 -12.448 1.00 0.00 N ATOM 924 CA ILE A 63 -11.481 -5.887 -12.282 1.00 44.50 C ATOM 925 C ILE A 63 -9.992 -5.895 -11.925 1.00 32.32 C ATOM 926 O ILE A 63 -9.630 -5.826 -10.753 1.00 13.12 O ATOM 927 CB ILE A 63 -11.714 -6.732 -13.570 1.00 41.40 C ATOM 928 CG1 ILE A 63 -13.150 -6.560 -14.085 1.00 23.02 C ATOM 929 CG2 ILE A 63 -11.409 -8.209 -13.304 1.00 3.52 C ATOM 930 CD1 ILE A 63 -13.422 -7.256 -15.403 1.00 43.03 C ATOM 0 H ILE A 63 -12.038 -4.213 -13.418 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.077 -6.338 -11.489 1.00 44.50 H new ATOM 0 HB ILE A 63 -11.033 -6.372 -14.342 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -13.842 -6.943 -13.335 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -13.359 -5.496 -14.198 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -11.577 -8.785 -14.214 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -10.370 -8.316 -12.994 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -12.063 -8.579 -12.515 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -14.458 -7.086 -15.697 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -12.757 -6.857 -16.169 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -13.247 -8.326 -15.292 1.00 43.03 H new ATOM 942 N ARG A 64 -9.147 -5.950 -12.957 1.00 63.13 N ATOM 943 CA ARG A 64 -7.701 -5.753 -12.846 1.00 42.30 C ATOM 944 C ARG A 64 -7.257 -5.088 -14.153 1.00 24.20 C ATOM 945 O ARG A 64 -7.855 -5.359 -15.195 1.00 71.42 O ATOM 946 CB ARG A 64 -6.936 -7.086 -12.637 1.00 5.01 C ATOM 947 CG ARG A 64 -7.337 -7.875 -11.387 1.00 72.23 C ATOM 948 CD ARG A 64 -7.131 -7.086 -10.094 1.00 23.51 C ATOM 949 NE ARG A 64 -5.717 -6.864 -9.770 1.00 24.12 N ATOM 950 CZ ARG A 64 -5.278 -5.848 -9.017 1.00 51.34 C ATOM 951 NH1 ARG A 64 -6.123 -4.914 -8.592 1.00 21.41 N ATOM 952 NH2 ARG A 64 -3.996 -5.764 -8.687 1.00 1.45 N ATOM 0 H ARG A 64 -9.455 -6.136 -13.911 1.00 63.13 H new ATOM 0 HA ARG A 64 -7.476 -5.138 -11.974 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -7.091 -7.717 -13.512 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -5.869 -6.870 -12.585 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -8.385 -8.165 -11.467 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -6.754 -8.795 -11.342 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -7.633 -6.122 -10.181 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -7.606 -7.620 -9.271 1.00 23.51 H new ATOM 0 HE ARG A 64 -5.030 -7.521 -10.139 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -7.111 -4.969 -8.839 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -5.783 -4.142 -8.018 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -3.339 -6.476 -9.007 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -3.667 -4.988 -8.113 1.00 1.45 H new ATOM 966 N PRO A 65 -6.250 -4.192 -14.126 1.00 13.42 N ATOM 967 CA PRO A 65 -5.821 -3.433 -15.322 1.00 21.15 C ATOM 968 C PRO A 65 -5.240 -4.316 -16.444 1.00 52.11 C ATOM 969 O PRO A 65 -4.035 -4.279 -16.708 1.00 62.12 O ATOM 970 CB PRO A 65 -4.748 -2.470 -14.776 1.00 31.52 C ATOM 971 CG PRO A 65 -4.963 -2.444 -13.297 1.00 32.30 C ATOM 972 CD PRO A 65 -5.465 -3.813 -12.937 1.00 31.11 C ATOM 0 HA PRO A 65 -6.668 -2.934 -15.792 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -3.745 -2.818 -15.022 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -4.855 -1.475 -15.207 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -4.036 -2.215 -12.770 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -5.685 -1.676 -13.019 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -4.647 -4.509 -12.753 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -6.078 -3.796 -12.036 1.00 31.11 H new ATOM 980 N LYS A 66 -6.115 -5.100 -17.088 1.00 32.35 N ATOM 981 CA LYS A 66 -5.766 -5.951 -18.234 1.00 12.54 C ATOM 982 C LYS A 66 -6.936 -6.890 -18.536 1.00 64.54 C ATOM 983 O LYS A 66 -7.302 -7.720 -17.700 1.00 64.34 O ATOM 984 CB LYS A 66 -4.490 -6.772 -17.971 1.00 13.42 C ATOM 985 CG LYS A 66 -3.967 -7.507 -19.205 1.00 20.12 C ATOM 986 CD LYS A 66 -2.611 -8.161 -18.944 1.00 14.20 C ATOM 987 CE LYS A 66 -2.031 -8.783 -20.209 1.00 34.20 C ATOM 988 NZ LYS A 66 -1.867 -7.781 -21.300 1.00 63.22 N ATOM 0 H LYS A 66 -7.098 -5.162 -16.824 1.00 32.35 H new ATOM 0 HA LYS A 66 -5.569 -5.306 -19.090 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -3.711 -6.107 -17.598 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -4.692 -7.499 -17.184 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -4.686 -8.269 -19.506 1.00 20.12 H new ATOM 0 HG3 LYS A 66 -3.879 -6.806 -20.035 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -1.917 -7.416 -18.554 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -2.719 -8.929 -18.178 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -1.064 -9.233 -19.981 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -2.684 -9.586 -20.550 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 -1.234 -8.164 -22.031 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -2.795 -7.571 -21.721 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -1.458 -6.908 -20.911 1.00 63.22 H new ATOM 1002 N SER A 67 -7.529 -6.749 -19.718 1.00 62.31 N ATOM 1003 CA SER A 67 -8.705 -7.532 -20.087 1.00 54.23 C ATOM 1004 C SER A 67 -8.306 -8.961 -20.461 1.00 53.41 C ATOM 1005 O SER A 67 -7.919 -9.235 -21.602 1.00 22.22 O ATOM 1006 CB SER A 67 -9.459 -6.856 -21.245 1.00 60.21 C ATOM 1007 OG SER A 67 -10.661 -7.540 -21.555 1.00 72.44 O ATOM 0 H SER A 67 -7.214 -6.099 -20.438 1.00 62.31 H new ATOM 0 HA SER A 67 -9.371 -7.580 -19.226 1.00 54.23 H new ATOM 0 HB2 SER A 67 -9.686 -5.824 -20.979 1.00 60.21 H new ATOM 0 HB3 SER A 67 -8.820 -6.825 -22.127 1.00 60.21 H new ATOM 0 HG SER A 67 -11.116 -7.084 -22.293 1.00 72.44 H new ATOM 1013 N LEU A 68 -8.362 -9.854 -19.476 1.00 64.11 N ATOM 1014 CA LEU A 68 -8.074 -11.273 -19.691 1.00 43.11 C ATOM 1015 C LEU A 68 -8.800 -12.106 -18.625 1.00 71.30 C ATOM 1016 O LEU A 68 -8.503 -13.284 -18.422 1.00 53.54 O ATOM 1017 CB LEU A 68 -6.545 -11.510 -19.639 1.00 3.52 C ATOM 1018 CG LEU A 68 -5.972 -12.511 -20.673 1.00 74.14 C ATOM 1019 CD1 LEU A 68 -4.443 -12.481 -20.665 1.00 65.05 C ATOM 1020 CD2 LEU A 68 -6.471 -13.932 -20.413 1.00 63.42 C ATOM 0 H LEU A 68 -8.606 -9.619 -18.514 1.00 64.11 H new ATOM 0 HA LEU A 68 -8.431 -11.581 -20.674 1.00 43.11 H new ATOM 0 HB2 LEU A 68 -6.045 -10.551 -19.777 1.00 3.52 H new ATOM 0 HB3 LEU A 68 -6.287 -11.863 -18.641 1.00 3.52 H new ATOM 0 HG LEU A 68 -6.326 -12.203 -21.657 1.00 74.14 H new ATOM 0 HD11 LEU A 68 -4.061 -13.191 -21.398 1.00 65.05 H new ATOM 0 HD12 LEU A 68 -4.097 -11.478 -20.917 1.00 65.05 H new ATOM 0 HD13 LEU A 68 -4.079 -12.752 -19.674 1.00 65.05 H new ATOM 0 HD21 LEU A 68 -6.049 -14.608 -21.157 1.00 63.42 H new ATOM 0 HD22 LEU A 68 -6.161 -14.250 -19.417 1.00 63.42 H new ATOM 0 HD23 LEU A 68 -7.559 -13.953 -20.479 1.00 63.42 H new ATOM 1032 N ARG A 69 -9.770 -11.478 -17.961 1.00 72.54 N ATOM 1033 CA ARG A 69 -10.531 -12.113 -16.885 1.00 51.11 C ATOM 1034 C ARG A 69 -11.666 -11.189 -16.445 1.00 31.31 C ATOM 1035 O ARG A 69 -11.686 -10.011 -16.815 1.00 25.43 O ATOM 1036 CB ARG A 69 -9.613 -12.461 -15.702 1.00 23.24 C ATOM 1037 CG ARG A 69 -8.876 -11.265 -15.102 1.00 3.32 C ATOM 1038 CD ARG A 69 -7.817 -11.706 -14.098 1.00 63.15 C ATOM 1039 NE ARG A 69 -6.770 -12.524 -14.727 1.00 63.40 N ATOM 1040 CZ ARG A 69 -6.038 -13.436 -14.083 1.00 21.44 C ATOM 1041 NH1 ARG A 69 -6.239 -13.666 -12.791 1.00 44.15 N ATOM 1042 NH2 ARG A 69 -5.103 -14.116 -14.737 1.00 11.13 N ATOM 0 H ARG A 69 -10.050 -10.516 -18.153 1.00 72.54 H new ATOM 0 HA ARG A 69 -10.961 -13.044 -17.254 1.00 51.11 H new ATOM 0 HB2 ARG A 69 -10.210 -12.933 -14.922 1.00 23.24 H new ATOM 0 HB3 ARG A 69 -8.879 -13.197 -16.031 1.00 23.24 H new ATOM 0 HG2 ARG A 69 -8.405 -10.689 -15.899 1.00 3.32 H new ATOM 0 HG3 ARG A 69 -9.591 -10.605 -14.611 1.00 3.32 H new ATOM 0 HD2 ARG A 69 -7.364 -10.827 -13.639 1.00 63.15 H new ATOM 0 HD3 ARG A 69 -8.290 -12.275 -13.298 1.00 63.15 H new ATOM 0 HE ARG A 69 -6.591 -12.386 -15.722 1.00 63.40 H new ATOM 0 HH11 ARG A 69 -6.956 -13.145 -12.286 1.00 44.15 H new ATOM 0 HH12 ARG A 69 -5.677 -14.364 -12.304 1.00 44.15 H new ATOM 0 HH21 ARG A 69 -4.945 -13.941 -15.729 1.00 11.13 H new ATOM 0 HH22 ARG A 69 -4.543 -14.813 -14.247 1.00 11.13 H new ATOM 1056 N ASP A 70 -12.598 -11.716 -15.654 1.00 3.11 N ATOM 1057 CA ASP A 70 -13.826 -10.990 -15.305 1.00 55.45 C ATOM 1058 C ASP A 70 -13.991 -10.825 -13.788 1.00 61.12 C ATOM 1059 O ASP A 70 -13.104 -11.173 -13.011 1.00 62.15 O ATOM 1060 CB ASP A 70 -15.049 -11.711 -15.892 1.00 35.03 C ATOM 1061 CG ASP A 70 -15.190 -13.136 -15.377 1.00 22.05 C ATOM 1062 OD1 ASP A 70 -15.823 -13.330 -14.320 1.00 32.01 O ATOM 1063 OD2 ASP A 70 -14.667 -14.068 -16.027 1.00 72.12 O ATOM 0 H ASP A 70 -12.530 -12.645 -15.240 1.00 3.11 H new ATOM 0 HA ASP A 70 -13.747 -9.991 -15.735 1.00 55.45 H new ATOM 0 HB2 ASP A 70 -15.950 -11.149 -15.647 1.00 35.03 H new ATOM 0 HB3 ASP A 70 -14.970 -11.727 -16.979 1.00 35.03 H new ATOM 1068 N LYS A 71 -15.152 -10.293 -13.388 1.00 32.23 N ATOM 1069 CA LYS A 71 -15.445 -9.974 -11.985 1.00 5.13 C ATOM 1070 C LYS A 71 -15.534 -11.229 -11.110 1.00 53.24 C ATOM 1071 O LYS A 71 -15.268 -11.174 -9.907 1.00 70.21 O ATOM 1072 CB LYS A 71 -16.756 -9.167 -11.892 1.00 1.23 C ATOM 1073 CG LYS A 71 -16.619 -7.709 -12.335 1.00 12.31 C ATOM 1074 CD LYS A 71 -15.789 -6.898 -11.341 1.00 64.40 C ATOM 1075 CE LYS A 71 -15.497 -5.487 -11.842 1.00 71.42 C ATOM 1076 NZ LYS A 71 -16.728 -4.672 -12.042 1.00 55.15 N ATOM 0 H LYS A 71 -15.915 -10.071 -14.028 1.00 32.23 H new ATOM 0 HA LYS A 71 -14.617 -9.375 -11.606 1.00 5.13 H new ATOM 0 HB2 LYS A 71 -17.515 -9.653 -12.505 1.00 1.23 H new ATOM 0 HB3 LYS A 71 -17.114 -9.192 -10.863 1.00 1.23 H new ATOM 0 HG2 LYS A 71 -16.152 -7.669 -13.319 1.00 12.31 H new ATOM 0 HG3 LYS A 71 -17.609 -7.263 -12.434 1.00 12.31 H new ATOM 0 HD2 LYS A 71 -16.320 -6.841 -10.391 1.00 64.40 H new ATOM 0 HD3 LYS A 71 -14.848 -7.415 -11.150 1.00 64.40 H new ATOM 0 HE2 LYS A 71 -14.846 -4.982 -11.129 1.00 71.42 H new ATOM 0 HE3 LYS A 71 -14.952 -5.548 -12.784 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 -16.463 -3.685 -12.234 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 -17.267 -5.049 -12.848 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 -17.314 -4.713 -11.184 1.00 55.15 H new ATOM 1090 N LEU A 72 -15.921 -12.351 -11.704 1.00 31.23 N ATOM 1091 CA LEU A 72 -15.997 -13.614 -10.971 1.00 75.41 C ATOM 1092 C LEU A 72 -14.622 -14.273 -10.944 1.00 62.01 C ATOM 1093 O LEU A 72 -14.200 -14.833 -9.928 1.00 24.31 O ATOM 1094 CB LEU A 72 -17.021 -14.556 -11.619 1.00 44.43 C ATOM 1095 CG LEU A 72 -17.188 -15.924 -10.932 1.00 35.43 C ATOM 1096 CD1 LEU A 72 -17.794 -15.766 -9.536 1.00 41.32 C ATOM 1097 CD2 LEU A 72 -18.035 -16.861 -11.791 1.00 22.35 C ATOM 0 H LEU A 72 -16.187 -12.415 -12.687 1.00 31.23 H new ATOM 0 HA LEU A 72 -16.320 -13.409 -9.950 1.00 75.41 H new ATOM 0 HB2 LEU A 72 -17.990 -14.056 -11.635 1.00 44.43 H new ATOM 0 HB3 LEU A 72 -16.731 -14.723 -12.656 1.00 44.43 H new ATOM 0 HG LEU A 72 -16.199 -16.368 -10.819 1.00 35.43 H new ATOM 0 HD11 LEU A 72 -17.901 -16.747 -9.073 1.00 41.32 H new ATOM 0 HD12 LEU A 72 -17.140 -15.145 -8.924 1.00 41.32 H new ATOM 0 HD13 LEU A 72 -18.773 -15.293 -9.616 1.00 41.32 H new ATOM 0 HD21 LEU A 72 -18.140 -17.822 -11.287 1.00 22.35 H new ATOM 0 HD22 LEU A 72 -19.021 -16.422 -11.945 1.00 22.35 H new ATOM 0 HD23 LEU A 72 -17.549 -17.009 -12.756 1.00 22.35 H new ATOM 1109 N ALA A 73 -13.926 -14.193 -12.071 1.00 21.05 N ATOM 1110 CA ALA A 73 -12.595 -14.772 -12.201 1.00 32.42 C ATOM 1111 C ALA A 73 -11.522 -13.711 -11.966 1.00 24.44 C ATOM 1112 O ALA A 73 -10.923 -13.199 -12.912 1.00 3.22 O ATOM 1113 CB ALA A 73 -12.430 -15.418 -13.576 1.00 13.24 C ATOM 0 H ALA A 73 -14.264 -13.729 -12.914 1.00 21.05 H new ATOM 0 HA ALA A 73 -12.476 -15.545 -11.442 1.00 32.42 H new ATOM 0 HB1 ALA A 73 -11.431 -15.846 -13.659 1.00 13.24 H new ATOM 0 HB2 ALA A 73 -13.174 -16.205 -13.700 1.00 13.24 H new ATOM 0 HB3 ALA A 73 -12.567 -14.664 -14.351 1.00 13.24 H new ATOM 1119 N THR A 74 -11.308 -13.358 -10.703 1.00 10.11 N ATOM 1120 CA THR A 74 -10.272 -12.398 -10.346 1.00 74.24 C ATOM 1121 C THR A 74 -8.905 -13.077 -10.378 1.00 61.13 C ATOM 1122 O THR A 74 -7.994 -12.626 -11.073 1.00 15.44 O ATOM 1123 CB THR A 74 -10.526 -11.791 -8.947 1.00 41.53 C ATOM 1124 OG1 THR A 74 -10.596 -12.836 -7.965 1.00 14.22 O ATOM 1125 CG2 THR A 74 -11.821 -10.979 -8.928 1.00 11.04 C ATOM 0 H THR A 74 -11.838 -13.722 -9.911 1.00 10.11 H new ATOM 0 HA THR A 74 -10.295 -11.587 -11.074 1.00 74.24 H new ATOM 0 HB THR A 74 -9.697 -11.123 -8.711 1.00 41.53 H new ATOM 0 HG1 THR A 74 -10.755 -12.444 -7.081 1.00 14.22 H new ATOM 0 HG21 THR A 74 -11.975 -10.563 -7.932 1.00 11.04 H new ATOM 0 HG22 THR A 74 -11.753 -10.168 -9.653 1.00 11.04 H new ATOM 0 HG23 THR A 74 -12.660 -11.626 -9.185 1.00 11.04 H new ATOM 1133 N GLY A 75 -8.789 -14.170 -9.616 1.00 52.32 N ATOM 1134 CA GLY A 75 -7.587 -14.995 -9.617 1.00 72.52 C ATOM 1135 C GLY A 75 -6.311 -14.193 -9.465 1.00 42.43 C ATOM 1136 O GLY A 75 -5.480 -14.163 -10.377 1.00 43.23 O ATOM 0 H GLY A 75 -9.521 -14.501 -8.988 1.00 52.32 H new ATOM 0 HA2 GLY A 75 -7.651 -15.720 -8.806 1.00 72.52 H new ATOM 0 HA3 GLY A 75 -7.544 -15.561 -10.547 1.00 72.52 H new ATOM 1140 N ARG A 76 -6.158 -13.531 -8.325 1.00 35.04 N ATOM 1141 CA ARG A 76 -4.963 -12.739 -8.049 1.00 4.50 C ATOM 1142 C ARG A 76 -3.744 -13.658 -7.963 1.00 12.31 C ATOM 1143 O ARG A 76 -3.372 -14.125 -6.886 1.00 73.20 O ATOM 1144 CB ARG A 76 -5.152 -11.928 -6.749 1.00 60.21 C ATOM 1145 CG ARG A 76 -4.106 -10.830 -6.491 1.00 70.14 C ATOM 1146 CD ARG A 76 -2.926 -11.310 -5.637 1.00 54.54 C ATOM 1147 NE ARG A 76 -1.760 -11.706 -6.436 1.00 2.04 N ATOM 1148 CZ ARG A 76 -0.685 -12.325 -5.932 1.00 41.13 C ATOM 1149 NH1 ARG A 76 -0.665 -12.712 -4.661 1.00 34.14 N ATOM 1150 NH2 ARG A 76 0.366 -12.573 -6.706 1.00 60.43 N ATOM 0 H ARG A 76 -6.848 -13.526 -7.574 1.00 35.04 H new ATOM 0 HA ARG A 76 -4.798 -12.031 -8.861 1.00 4.50 H new ATOM 0 HB2 ARG A 76 -6.139 -11.466 -6.771 1.00 60.21 H new ATOM 0 HB3 ARG A 76 -5.142 -12.619 -5.906 1.00 60.21 H new ATOM 0 HG2 ARG A 76 -3.730 -10.464 -7.446 1.00 70.14 H new ATOM 0 HG3 ARG A 76 -4.587 -9.988 -5.994 1.00 70.14 H new ATOM 0 HD2 ARG A 76 -2.635 -10.515 -4.950 1.00 54.54 H new ATOM 0 HD3 ARG A 76 -3.246 -12.156 -5.028 1.00 54.54 H new ATOM 0 HE ARG A 76 -1.769 -11.497 -7.434 1.00 2.04 H new ATOM 0 HH11 ARG A 76 -1.472 -12.538 -4.062 1.00 34.14 H new ATOM 0 HH12 ARG A 76 0.158 -13.183 -4.284 1.00 34.14 H new ATOM 0 HH21 ARG A 76 0.355 -12.292 -7.686 1.00 60.43 H new ATOM 0 HH22 ARG A 76 1.184 -13.045 -6.320 1.00 60.43 H new ATOM 1164 N GLY A 77 -3.167 -13.959 -9.122 1.00 43.11 N ATOM 1165 CA GLY A 77 -1.990 -14.801 -9.189 1.00 54.42 C ATOM 1166 C GLY A 77 -0.743 -13.986 -9.449 1.00 15.24 C ATOM 1167 O GLY A 77 -0.688 -12.803 -9.101 1.00 61.11 O ATOM 0 H GLY A 77 -3.501 -13.628 -10.027 1.00 43.11 H new ATOM 0 HA2 GLY A 77 -1.880 -15.350 -8.254 1.00 54.42 H new ATOM 0 HA3 GLY A 77 -2.114 -15.541 -9.980 1.00 54.42 H new ATOM 1171 N PHE A 78 0.247 -14.599 -10.081 1.00 22.23 N ATOM 1172 CA PHE A 78 1.518 -13.937 -10.336 1.00 73.44 C ATOM 1173 C PHE A 78 2.031 -14.257 -11.733 1.00 12.01 C ATOM 1174 O PHE A 78 1.848 -15.368 -12.241 1.00 2.23 O ATOM 1175 CB PHE A 78 2.557 -14.344 -9.280 1.00 60.31 C ATOM 1176 CG PHE A 78 2.828 -15.830 -9.217 1.00 23.21 C ATOM 1177 CD1 PHE A 78 1.975 -16.676 -8.519 1.00 25.02 C ATOM 1178 CD2 PHE A 78 3.936 -16.379 -9.853 1.00 23.21 C ATOM 1179 CE1 PHE A 78 2.220 -18.035 -8.458 1.00 31.41 C ATOM 1180 CE2 PHE A 78 4.182 -17.736 -9.794 1.00 21.11 C ATOM 1181 CZ PHE A 78 3.323 -18.566 -9.097 1.00 42.13 C ATOM 0 H PHE A 78 0.194 -15.557 -10.428 1.00 22.23 H new ATOM 0 HA PHE A 78 1.356 -12.861 -10.272 1.00 73.44 H new ATOM 0 HB2 PHE A 78 3.492 -13.824 -9.488 1.00 60.31 H new ATOM 0 HB3 PHE A 78 2.215 -14.007 -8.301 1.00 60.31 H new ATOM 0 HD1 PHE A 78 1.110 -16.267 -8.018 1.00 25.02 H new ATOM 0 HD2 PHE A 78 4.611 -15.737 -10.399 1.00 23.21 H new ATOM 0 HE1 PHE A 78 1.549 -18.681 -7.911 1.00 31.41 H new ATOM 0 HE2 PHE A 78 5.046 -18.150 -10.293 1.00 21.11 H new ATOM 0 HZ PHE A 78 3.515 -19.628 -9.053 1.00 42.13 H new ATOM 1191 N ASP A 79 2.655 -13.265 -12.349 1.00 52.44 N ATOM 1192 CA ASP A 79 3.291 -13.426 -13.656 1.00 4.14 C ATOM 1193 C ASP A 79 4.768 -13.753 -13.459 1.00 34.43 C ATOM 1194 O ASP A 79 5.392 -14.436 -14.274 1.00 22.44 O ATOM 1195 CB ASP A 79 3.127 -12.139 -14.478 1.00 50.33 C ATOM 1196 CG ASP A 79 3.858 -12.189 -15.810 1.00 31.15 C ATOM 1197 OD1 ASP A 79 3.314 -12.761 -16.779 1.00 63.52 O ATOM 1198 OD2 ASP A 79 4.976 -11.641 -15.899 1.00 74.11 O ATOM 0 H ASP A 79 2.737 -12.325 -11.961 1.00 52.44 H new ATOM 0 HA ASP A 79 2.816 -14.243 -14.199 1.00 4.14 H new ATOM 0 HB2 ASP A 79 2.067 -11.962 -14.658 1.00 50.33 H new ATOM 0 HB3 ASP A 79 3.497 -11.294 -13.898 1.00 50.33 H new ATOM 1203 N GLN A 80 5.305 -13.264 -12.351 1.00 32.33 N ATOM 1204 CA GLN A 80 6.685 -13.508 -11.955 1.00 51.35 C ATOM 1205 C GLN A 80 6.739 -13.792 -10.452 1.00 60.12 C ATOM 1206 O GLN A 80 5.926 -13.196 -9.709 1.00 14.05 O ATOM 1207 CB GLN A 80 7.586 -12.313 -12.350 1.00 42.55 C ATOM 1208 CG GLN A 80 7.010 -10.927 -12.031 1.00 4.25 C ATOM 1209 CD GLN A 80 7.101 -10.533 -10.561 1.00 22.13 C ATOM 1210 OE1 GLN A 80 6.237 -9.817 -10.048 1.00 60.13 O ATOM 1211 NE2 GLN A 80 8.150 -10.969 -9.880 1.00 63.52 N ATOM 1212 OXT GLN A 80 7.569 -14.618 -10.026 1.00 0.00 O ATOM 0 H GLN A 80 4.789 -12.680 -11.693 1.00 32.33 H new ATOM 0 HA GLN A 80 7.068 -14.382 -12.482 1.00 51.35 H new ATOM 0 HB2 GLN A 80 8.544 -12.417 -11.840 1.00 42.55 H new ATOM 0 HB3 GLN A 80 7.787 -12.368 -13.420 1.00 42.55 H new ATOM 0 HG2 GLN A 80 7.536 -10.182 -12.628 1.00 4.25 H new ATOM 0 HG3 GLN A 80 5.964 -10.902 -12.338 1.00 4.25 H new ATOM 0 HE21 GLN A 80 8.845 -11.560 -10.337 1.00 63.52 H new ATOM 0 HE22 GLN A 80 8.263 -10.714 -8.899 1.00 63.52 H new TER 1221 GLN A 80