USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 4 MET CE :methyl -158:sc= 0 (180deg=-0.151) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0109 K(o=-0.011,f=-0.96) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.0935 K(o=-0.093,f=-2.1!) USER MOD Single : A 25 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.576 K(o=0.58,f=-2.7!) USER MOD Single : A 27 SER OG : rot 98:sc= 1.28 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.482 F(o=-1.3,f=-0.48) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 65:sc= -0.0655 USER MOD Single : A 54 TYR OH : rot -130:sc= -1.71! USER MOD Single : A 57 LYS NZ :NH3+ 138:sc= 0.981 (180deg=0.653) USER MOD Single : A 58 ASN : amide:sc= 1.02 K(o=1,f=-0.93) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -143:sc= -0.11 (180deg=-0.541) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -161:sc= -0.109 (180deg=-0.519) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.662 27.495 -3.337 1.00 31.20 N ATOM 2 CA GLY A 1 -14.670 26.210 -4.078 1.00 10.23 C ATOM 3 C GLY A 1 -16.027 25.914 -4.675 1.00 51.44 C ATOM 4 O GLY A 1 -16.775 25.090 -4.152 1.00 41.30 O ATOM 0 H1 GLY A 1 -13.714 27.662 -2.943 1.00 31.20 H new ATOM 0 H2 GLY A 1 -14.910 28.270 -3.984 1.00 31.20 H new ATOM 0 H3 GLY A 1 -15.356 27.454 -2.564 1.00 31.20 H new ATOM 0 HA2 GLY A 1 -13.923 26.243 -4.871 1.00 10.23 H new ATOM 0 HA3 GLY A 1 -14.385 25.401 -3.406 1.00 10.23 H new ATOM 10 N SER A 2 -16.352 26.599 -5.759 1.00 44.31 N ATOM 11 CA SER A 2 -17.633 26.417 -6.419 1.00 51.41 C ATOM 12 C SER A 2 -17.582 25.233 -7.379 1.00 3.41 C ATOM 13 O SER A 2 -16.655 25.116 -8.182 1.00 33.54 O ATOM 14 CB SER A 2 -17.999 27.689 -7.179 1.00 75.52 C ATOM 15 OG SER A 2 -17.854 28.826 -6.348 1.00 2.30 O ATOM 0 H SER A 2 -15.744 27.288 -6.201 1.00 44.31 H new ATOM 0 HA SER A 2 -18.391 26.212 -5.663 1.00 51.41 H new ATOM 0 HB2 SER A 2 -17.361 27.790 -8.057 1.00 75.52 H new ATOM 0 HB3 SER A 2 -19.026 27.622 -7.537 1.00 75.52 H new ATOM 0 HG SER A 2 -18.091 29.632 -6.852 1.00 2.30 H new ATOM 21 N HIS A 3 -18.563 24.346 -7.276 1.00 30.40 N ATOM 22 CA HIS A 3 -18.673 23.231 -8.205 1.00 72.41 C ATOM 23 C HIS A 3 -19.120 23.731 -9.577 1.00 50.22 C ATOM 24 O HIS A 3 -20.304 23.732 -9.904 1.00 32.52 O ATOM 25 CB HIS A 3 -19.646 22.170 -7.671 1.00 44.24 C ATOM 26 CG HIS A 3 -19.849 21.006 -8.596 1.00 22.24 C ATOM 27 ND1 HIS A 3 -21.005 20.815 -9.322 1.00 21.41 N ATOM 28 CD2 HIS A 3 -19.036 19.973 -8.909 1.00 61.01 C ATOM 29 CE1 HIS A 3 -20.893 19.714 -10.042 1.00 61.52 C ATOM 30 NE2 HIS A 3 -19.707 19.184 -9.809 1.00 75.34 N ATOM 0 H HIS A 3 -19.290 24.377 -6.562 1.00 30.40 H new ATOM 0 HA HIS A 3 -17.692 22.767 -8.306 1.00 72.41 H new ATOM 0 HB2 HIS A 3 -19.275 21.801 -6.715 1.00 44.24 H new ATOM 0 HB3 HIS A 3 -20.610 22.640 -7.479 1.00 44.24 H new ATOM 0 HD2 HIS A 3 -18.042 19.800 -8.522 1.00 61.01 H new ATOM 0 HE1 HIS A 3 -21.644 19.315 -10.708 1.00 61.52 H new ATOM 0 HE2 HIS A 3 -19.348 18.327 -10.230 1.00 75.34 H new ATOM 39 N MET A 4 -18.161 24.201 -10.356 1.00 3.32 N ATOM 40 CA MET A 4 -18.428 24.667 -11.706 1.00 2.41 C ATOM 41 C MET A 4 -17.551 23.909 -12.686 1.00 55.24 C ATOM 42 O MET A 4 -16.429 24.327 -12.981 1.00 31.15 O ATOM 43 CB MET A 4 -18.171 26.175 -11.823 1.00 71.04 C ATOM 44 CG MET A 4 -19.100 27.027 -10.972 1.00 71.13 C ATOM 45 SD MET A 4 -18.709 28.786 -11.073 1.00 63.41 S ATOM 46 CE MET A 4 -19.967 29.468 -9.996 1.00 35.41 C ATOM 0 H MET A 4 -17.183 24.270 -10.074 1.00 3.32 H new ATOM 0 HA MET A 4 -19.477 24.483 -11.940 1.00 2.41 H new ATOM 0 HB2 MET A 4 -17.140 26.381 -11.536 1.00 71.04 H new ATOM 0 HB3 MET A 4 -18.276 26.472 -12.867 1.00 71.04 H new ATOM 0 HG2 MET A 4 -20.130 26.868 -11.293 1.00 71.13 H new ATOM 0 HG3 MET A 4 -19.036 26.703 -9.933 1.00 71.13 H new ATOM 0 HE1 MET A 4 -20.124 30.519 -10.240 1.00 35.41 H new ATOM 0 HE2 MET A 4 -20.899 28.920 -10.133 1.00 35.41 H new ATOM 0 HE3 MET A 4 -19.644 29.381 -8.959 1.00 35.41 H new ATOM 56 N SER A 5 -18.051 22.776 -13.155 1.00 72.44 N ATOM 57 CA SER A 5 -17.303 21.922 -14.059 1.00 62.14 C ATOM 58 C SER A 5 -17.129 22.593 -15.417 1.00 41.42 C ATOM 59 O SER A 5 -18.027 22.567 -16.256 1.00 73.33 O ATOM 60 CB SER A 5 -18.012 20.576 -14.198 1.00 23.11 C ATOM 61 OG SER A 5 -18.206 19.980 -12.922 1.00 55.22 O ATOM 0 H SER A 5 -18.980 22.426 -12.921 1.00 72.44 H new ATOM 0 HA SER A 5 -16.308 21.753 -13.647 1.00 62.14 H new ATOM 0 HB2 SER A 5 -18.974 20.715 -14.691 1.00 23.11 H new ATOM 0 HB3 SER A 5 -17.423 19.912 -14.830 1.00 23.11 H new ATOM 0 HG SER A 5 -18.663 19.120 -13.029 1.00 55.22 H new ATOM 67 N THR A 6 -15.975 23.221 -15.590 1.00 40.04 N ATOM 68 CA THR A 6 -15.622 23.934 -16.810 1.00 24.21 C ATOM 69 C THR A 6 -14.110 24.105 -16.874 1.00 14.44 C ATOM 70 O THR A 6 -13.457 24.233 -15.839 1.00 35.34 O ATOM 71 CB THR A 6 -16.288 25.326 -16.869 1.00 73.13 C ATOM 72 OG1 THR A 6 -16.447 25.849 -15.543 1.00 12.14 O ATOM 73 CG2 THR A 6 -17.636 25.272 -17.567 1.00 54.50 C ATOM 0 H THR A 6 -15.247 23.250 -14.877 1.00 40.04 H new ATOM 0 HA THR A 6 -15.979 23.348 -17.657 1.00 24.21 H new ATOM 0 HB THR A 6 -15.637 25.983 -17.446 1.00 73.13 H new ATOM 0 HG1 THR A 6 -16.869 26.733 -15.588 1.00 12.14 H new ATOM 0 HG21 THR A 6 -18.074 26.270 -17.589 1.00 54.50 H new ATOM 0 HG22 THR A 6 -17.503 24.911 -18.587 1.00 54.50 H new ATOM 0 HG23 THR A 6 -18.299 24.597 -17.026 1.00 54.50 H new ATOM 81 N ASN A 7 -13.555 24.104 -18.074 1.00 21.12 N ATOM 82 CA ASN A 7 -12.118 24.270 -18.226 1.00 5.45 C ATOM 83 C ASN A 7 -11.819 25.676 -18.733 1.00 71.11 C ATOM 84 O ASN A 7 -11.963 25.964 -19.919 1.00 71.44 O ATOM 85 CB ASN A 7 -11.552 23.220 -19.188 1.00 2.25 C ATOM 86 CG ASN A 7 -10.035 23.221 -19.216 1.00 64.14 C ATOM 87 OD1 ASN A 7 -9.383 23.542 -18.222 1.00 33.10 O ATOM 88 ND2 ASN A 7 -9.463 22.846 -20.351 1.00 14.13 N ATOM 0 H ASN A 7 -14.069 23.992 -18.948 1.00 21.12 H new ATOM 0 HA ASN A 7 -11.640 24.131 -17.257 1.00 5.45 H new ATOM 0 HB2 ASN A 7 -11.907 22.232 -18.894 1.00 2.25 H new ATOM 0 HB3 ASN A 7 -11.932 23.409 -20.192 1.00 2.25 H new ATOM 0 HD21 ASN A 7 -8.446 22.816 -20.424 1.00 14.13 H new ATOM 0 HD22 ASN A 7 -10.040 22.588 -21.152 1.00 14.13 H new ATOM 95 N PRO A 8 -11.421 26.579 -17.827 1.00 32.14 N ATOM 96 CA PRO A 8 -11.212 27.985 -18.148 1.00 3.51 C ATOM 97 C PRO A 8 -9.816 28.278 -18.686 1.00 72.03 C ATOM 98 O PRO A 8 -9.588 29.320 -19.298 1.00 13.12 O ATOM 99 CB PRO A 8 -11.416 28.695 -16.799 1.00 60.32 C ATOM 100 CG PRO A 8 -11.579 27.618 -15.766 1.00 2.35 C ATOM 101 CD PRO A 8 -11.169 26.322 -16.410 1.00 35.24 C ATOM 0 HA PRO A 8 -11.889 28.314 -18.936 1.00 3.51 H new ATOM 0 HB2 PRO A 8 -10.563 29.331 -16.564 1.00 60.32 H new ATOM 0 HB3 PRO A 8 -12.295 29.339 -16.829 1.00 60.32 H new ATOM 0 HG2 PRO A 8 -10.962 27.826 -14.892 1.00 2.35 H new ATOM 0 HG3 PRO A 8 -12.612 27.567 -15.422 1.00 2.35 H new ATOM 0 HD2 PRO A 8 -10.121 26.088 -16.220 1.00 35.24 H new ATOM 0 HD3 PRO A 8 -11.756 25.481 -16.039 1.00 35.24 H new ATOM 109 N PHE A 9 -8.887 27.363 -18.469 1.00 64.42 N ATOM 110 CA PHE A 9 -7.502 27.604 -18.841 1.00 65.22 C ATOM 111 C PHE A 9 -7.055 26.674 -19.959 1.00 52.40 C ATOM 112 O PHE A 9 -7.673 25.640 -20.214 1.00 1.13 O ATOM 113 CB PHE A 9 -6.581 27.443 -17.626 1.00 74.45 C ATOM 114 CG PHE A 9 -6.605 26.069 -17.007 1.00 53.32 C ATOM 115 CD1 PHE A 9 -7.519 25.762 -16.012 1.00 55.12 C ATOM 116 CD2 PHE A 9 -5.711 25.089 -17.416 1.00 14.23 C ATOM 117 CE1 PHE A 9 -7.546 24.506 -15.438 1.00 3.35 C ATOM 118 CE2 PHE A 9 -5.733 23.832 -16.846 1.00 51.32 C ATOM 119 CZ PHE A 9 -6.650 23.540 -15.857 1.00 24.54 C ATOM 0 H PHE A 9 -9.063 26.454 -18.041 1.00 64.42 H new ATOM 0 HA PHE A 9 -7.435 28.629 -19.205 1.00 65.22 H new ATOM 0 HB2 PHE A 9 -5.559 27.676 -17.926 1.00 74.45 H new ATOM 0 HB3 PHE A 9 -6.866 28.174 -16.870 1.00 74.45 H new ATOM 0 HD1 PHE A 9 -8.219 26.515 -15.681 1.00 55.12 H new ATOM 0 HD2 PHE A 9 -4.990 25.312 -18.189 1.00 14.23 H new ATOM 0 HE1 PHE A 9 -8.265 24.279 -14.664 1.00 3.35 H new ATOM 0 HE2 PHE A 9 -5.033 23.078 -17.174 1.00 51.32 H new ATOM 0 HZ PHE A 9 -6.668 22.557 -15.410 1.00 24.54 H new ATOM 129 N ASP A 10 -5.972 27.053 -20.615 1.00 53.22 N ATOM 130 CA ASP A 10 -5.356 26.226 -21.641 1.00 14.33 C ATOM 131 C ASP A 10 -3.894 26.019 -21.286 1.00 73.42 C ATOM 132 O ASP A 10 -3.315 26.839 -20.575 1.00 2.11 O ATOM 133 CB ASP A 10 -5.477 26.890 -23.020 1.00 13.04 C ATOM 134 CG ASP A 10 -4.906 26.032 -24.136 1.00 73.13 C ATOM 135 OD1 ASP A 10 -5.589 25.081 -24.569 1.00 23.45 O ATOM 136 OD2 ASP A 10 -3.771 26.296 -24.582 1.00 30.21 O ATOM 0 H ASP A 10 -5.495 27.940 -20.453 1.00 53.22 H new ATOM 0 HA ASP A 10 -5.868 25.265 -21.686 1.00 14.33 H new ATOM 0 HB2 ASP A 10 -6.527 27.098 -23.228 1.00 13.04 H new ATOM 0 HB3 ASP A 10 -4.959 27.849 -23.004 1.00 13.04 H new ATOM 141 N ASP A 11 -3.312 24.921 -21.751 1.00 31.23 N ATOM 142 CA ASP A 11 -1.900 24.637 -21.504 1.00 35.51 C ATOM 143 C ASP A 11 -1.011 25.685 -22.166 1.00 71.44 C ATOM 144 O ASP A 11 -0.670 25.581 -23.347 1.00 54.05 O ATOM 145 CB ASP A 11 -1.527 23.227 -21.999 1.00 61.34 C ATOM 146 CG ASP A 11 -0.029 22.954 -21.958 1.00 53.53 C ATOM 147 OD1 ASP A 11 0.573 23.026 -20.866 1.00 42.35 O ATOM 148 OD2 ASP A 11 0.556 22.662 -23.027 1.00 3.52 O ATOM 0 H ASP A 11 -3.794 24.211 -22.302 1.00 31.23 H new ATOM 0 HA ASP A 11 -1.735 24.677 -20.427 1.00 35.51 H new ATOM 0 HB2 ASP A 11 -2.042 22.486 -21.387 1.00 61.34 H new ATOM 0 HB3 ASP A 11 -1.885 23.101 -23.021 1.00 61.34 H new ATOM 153 N ASP A 12 -0.687 26.725 -21.412 1.00 65.11 N ATOM 154 CA ASP A 12 0.261 27.729 -21.860 1.00 24.13 C ATOM 155 C ASP A 12 1.663 27.227 -21.574 1.00 30.20 C ATOM 156 O ASP A 12 1.853 26.403 -20.681 1.00 73.51 O ATOM 157 CB ASP A 12 0.021 29.075 -21.157 1.00 60.44 C ATOM 158 CG ASP A 12 0.330 29.034 -19.672 1.00 73.13 C ATOM 159 OD1 ASP A 12 -0.567 28.678 -18.881 1.00 30.44 O ATOM 160 OD2 ASP A 12 1.468 29.372 -19.288 1.00 41.33 O ATOM 0 H ASP A 12 -1.070 26.894 -20.482 1.00 65.11 H new ATOM 0 HA ASP A 12 0.132 27.894 -22.930 1.00 24.13 H new ATOM 0 HB2 ASP A 12 0.637 29.840 -21.629 1.00 60.44 H new ATOM 0 HB3 ASP A 12 -1.018 29.371 -21.298 1.00 60.44 H new ATOM 165 N ASN A 13 2.635 27.705 -22.330 1.00 24.34 N ATOM 166 CA ASN A 13 4.000 27.221 -22.189 1.00 3.22 C ATOM 167 C ASN A 13 4.626 27.707 -20.889 1.00 11.43 C ATOM 168 O ASN A 13 5.194 28.800 -20.820 1.00 23.33 O ATOM 169 CB ASN A 13 4.863 27.638 -23.382 1.00 25.12 C ATOM 170 CG ASN A 13 4.444 26.965 -24.679 1.00 32.43 C ATOM 171 OD1 ASN A 13 3.640 27.504 -25.442 1.00 55.12 O ATOM 172 ND2 ASN A 13 4.978 25.781 -24.933 1.00 12.21 N ATOM 0 H ASN A 13 2.508 28.423 -23.044 1.00 24.34 H new ATOM 0 HA ASN A 13 3.956 26.132 -22.162 1.00 3.22 H new ATOM 0 HB2 ASN A 13 4.806 28.720 -23.505 1.00 25.12 H new ATOM 0 HB3 ASN A 13 5.905 27.395 -23.173 1.00 25.12 H new ATOM 0 HD21 ASN A 13 4.728 25.281 -25.786 1.00 12.21 H new ATOM 0 HD22 ASN A 13 5.640 25.369 -24.276 1.00 12.21 H new ATOM 179 N GLY A 14 4.489 26.893 -19.854 1.00 51.13 N ATOM 180 CA GLY A 14 5.097 27.199 -18.583 1.00 21.14 C ATOM 181 C GLY A 14 6.582 26.932 -18.606 1.00 35.24 C ATOM 182 O GLY A 14 7.015 25.849 -19.009 1.00 24.13 O ATOM 0 H GLY A 14 3.962 26.020 -19.876 1.00 51.13 H new ATOM 0 HA2 GLY A 14 4.917 28.245 -18.334 1.00 21.14 H new ATOM 0 HA3 GLY A 14 4.630 26.601 -17.801 1.00 21.14 H new ATOM 186 N ALA A 15 7.359 27.914 -18.186 1.00 10.03 N ATOM 187 CA ALA A 15 8.808 27.799 -18.203 1.00 40.42 C ATOM 188 C ALA A 15 9.289 26.701 -17.255 1.00 10.11 C ATOM 189 O ALA A 15 8.588 26.315 -16.321 1.00 53.33 O ATOM 190 CB ALA A 15 9.448 29.132 -17.846 1.00 42.14 C ATOM 0 H ALA A 15 7.010 28.803 -17.828 1.00 10.03 H new ATOM 0 HA ALA A 15 9.112 27.523 -19.213 1.00 40.42 H new ATOM 0 HB1 ALA A 15 10.533 29.031 -17.863 1.00 42.14 H new ATOM 0 HB2 ALA A 15 9.143 29.888 -18.570 1.00 42.14 H new ATOM 0 HB3 ALA A 15 9.127 29.434 -16.849 1.00 42.14 H new ATOM 196 N PHE A 16 10.490 26.217 -17.505 1.00 2.14 N ATOM 197 CA PHE A 16 11.077 25.125 -16.739 1.00 60.34 C ATOM 198 C PHE A 16 12.530 25.450 -16.429 1.00 23.33 C ATOM 199 O PHE A 16 13.191 26.145 -17.199 1.00 2.33 O ATOM 200 CB PHE A 16 10.976 23.816 -17.535 1.00 41.43 C ATOM 201 CG PHE A 16 11.013 24.039 -19.017 1.00 42.52 C ATOM 202 CD1 PHE A 16 12.107 24.643 -19.598 1.00 52.44 C ATOM 203 CD2 PHE A 16 9.944 23.671 -19.824 1.00 61.53 C ATOM 204 CE1 PHE A 16 12.145 24.884 -20.947 1.00 24.33 C ATOM 205 CE2 PHE A 16 9.978 23.905 -21.186 1.00 23.23 C ATOM 206 CZ PHE A 16 11.080 24.515 -21.749 1.00 4.31 C ATOM 0 H PHE A 16 11.093 26.569 -18.249 1.00 2.14 H new ATOM 0 HA PHE A 16 10.534 25.002 -15.802 1.00 60.34 H new ATOM 0 HB2 PHE A 16 11.796 23.157 -17.250 1.00 41.43 H new ATOM 0 HB3 PHE A 16 10.050 23.305 -17.271 1.00 41.43 H new ATOM 0 HD1 PHE A 16 12.946 24.931 -18.982 1.00 52.44 H new ATOM 0 HD2 PHE A 16 9.079 23.198 -19.384 1.00 61.53 H new ATOM 0 HE1 PHE A 16 13.008 25.363 -21.385 1.00 24.33 H new ATOM 0 HE2 PHE A 16 9.145 23.611 -21.807 1.00 23.23 H new ATOM 0 HZ PHE A 16 11.111 24.704 -22.812 1.00 4.31 H new ATOM 216 N PHE A 17 13.016 24.973 -15.303 1.00 3.34 N ATOM 217 CA PHE A 17 14.379 25.257 -14.890 1.00 51.42 C ATOM 218 C PHE A 17 15.219 23.988 -14.895 1.00 72.30 C ATOM 219 O PHE A 17 14.686 22.875 -14.823 1.00 3.33 O ATOM 220 CB PHE A 17 14.404 25.881 -13.482 1.00 31.34 C ATOM 221 CG PHE A 17 14.044 27.343 -13.431 1.00 30.40 C ATOM 222 CD1 PHE A 17 13.055 27.871 -14.246 1.00 64.43 C ATOM 223 CD2 PHE A 17 14.701 28.192 -12.554 1.00 72.20 C ATOM 224 CE1 PHE A 17 12.730 29.213 -14.189 1.00 12.45 C ATOM 225 CE2 PHE A 17 14.380 29.534 -12.492 1.00 73.11 C ATOM 226 CZ PHE A 17 13.392 30.045 -13.311 1.00 52.41 C ATOM 0 H PHE A 17 12.490 24.386 -14.655 1.00 3.34 H new ATOM 0 HA PHE A 17 14.800 25.967 -15.602 1.00 51.42 H new ATOM 0 HB2 PHE A 17 13.714 25.329 -12.843 1.00 31.34 H new ATOM 0 HB3 PHE A 17 15.401 25.752 -13.061 1.00 31.34 H new ATOM 0 HD1 PHE A 17 12.531 27.225 -14.935 1.00 64.43 H new ATOM 0 HD2 PHE A 17 15.474 27.799 -11.911 1.00 72.20 H new ATOM 0 HE1 PHE A 17 11.958 29.610 -14.832 1.00 12.45 H new ATOM 0 HE2 PHE A 17 14.901 30.183 -11.804 1.00 73.11 H new ATOM 0 HZ PHE A 17 13.139 31.094 -13.264 1.00 52.41 H new ATOM 236 N VAL A 18 16.532 24.159 -14.975 1.00 4.01 N ATOM 237 CA VAL A 18 17.445 23.027 -14.909 1.00 72.22 C ATOM 238 C VAL A 18 17.711 22.681 -13.451 1.00 33.02 C ATOM 239 O VAL A 18 18.541 23.312 -12.793 1.00 72.11 O ATOM 240 CB VAL A 18 18.790 23.319 -15.613 1.00 32.12 C ATOM 241 CG1 VAL A 18 19.634 22.053 -15.712 1.00 55.43 C ATOM 242 CG2 VAL A 18 18.557 23.927 -16.988 1.00 12.33 C ATOM 0 H VAL A 18 16.986 25.066 -15.085 1.00 4.01 H new ATOM 0 HA VAL A 18 16.973 22.192 -15.426 1.00 72.22 H new ATOM 0 HB VAL A 18 19.339 24.044 -15.012 1.00 32.12 H new ATOM 0 HG11 VAL A 18 20.576 22.282 -16.211 1.00 55.43 H new ATOM 0 HG12 VAL A 18 19.837 21.672 -14.711 1.00 55.43 H new ATOM 0 HG13 VAL A 18 19.094 21.299 -16.285 1.00 55.43 H new ATOM 0 HG21 VAL A 18 19.517 24.125 -17.466 1.00 12.33 H new ATOM 0 HG22 VAL A 18 17.983 23.232 -17.601 1.00 12.33 H new ATOM 0 HG23 VAL A 18 18.004 24.861 -16.884 1.00 12.33 H new ATOM 252 N LEU A 19 16.995 21.692 -12.947 1.00 51.11 N ATOM 253 CA LEU A 19 17.061 21.354 -11.537 1.00 23.23 C ATOM 254 C LEU A 19 17.793 20.036 -11.331 1.00 33.24 C ATOM 255 O LEU A 19 17.473 19.034 -11.965 1.00 54.22 O ATOM 256 CB LEU A 19 15.647 21.264 -10.960 1.00 53.14 C ATOM 257 CG LEU A 19 15.566 21.172 -9.436 1.00 54.41 C ATOM 258 CD1 LEU A 19 16.043 22.468 -8.801 1.00 73.41 C ATOM 259 CD2 LEU A 19 14.147 20.851 -8.994 1.00 25.42 C ATOM 0 H LEU A 19 16.361 21.109 -13.493 1.00 51.11 H new ATOM 0 HA LEU A 19 17.614 22.137 -11.018 1.00 23.23 H new ATOM 0 HB2 LEU A 19 15.084 22.139 -11.285 1.00 53.14 H new ATOM 0 HB3 LEU A 19 15.153 20.391 -11.387 1.00 53.14 H new ATOM 0 HG LEU A 19 16.218 20.364 -9.104 1.00 54.41 H new ATOM 0 HD11 LEU A 19 15.979 22.387 -7.716 1.00 73.41 H new ATOM 0 HD12 LEU A 19 17.077 22.656 -9.091 1.00 73.41 H new ATOM 0 HD13 LEU A 19 15.415 23.292 -9.140 1.00 73.41 H new ATOM 0 HD21 LEU A 19 14.110 20.790 -7.906 1.00 25.42 H new ATOM 0 HD22 LEU A 19 13.473 21.636 -9.336 1.00 25.42 H new ATOM 0 HD23 LEU A 19 13.840 19.897 -9.422 1.00 25.42 H new ATOM 271 N VAL A 20 18.782 20.039 -10.456 1.00 54.31 N ATOM 272 CA VAL A 20 19.486 18.816 -10.112 1.00 1.04 C ATOM 273 C VAL A 20 19.292 18.500 -8.636 1.00 52.45 C ATOM 274 O VAL A 20 19.456 19.367 -7.780 1.00 22.12 O ATOM 275 CB VAL A 20 20.994 18.910 -10.433 1.00 31.22 C ATOM 276 CG1 VAL A 20 21.727 17.654 -9.984 1.00 65.21 C ATOM 277 CG2 VAL A 20 21.202 19.144 -11.924 1.00 44.44 C ATOM 0 H VAL A 20 19.116 20.872 -9.971 1.00 54.31 H new ATOM 0 HA VAL A 20 19.066 18.014 -10.718 1.00 1.04 H new ATOM 0 HB VAL A 20 21.408 19.756 -9.884 1.00 31.22 H new ATOM 0 HG11 VAL A 20 22.787 17.746 -10.222 1.00 65.21 H new ATOM 0 HG12 VAL A 20 21.606 17.527 -8.908 1.00 65.21 H new ATOM 0 HG13 VAL A 20 21.314 16.787 -10.500 1.00 65.21 H new ATOM 0 HG21 VAL A 20 22.269 19.208 -12.137 1.00 44.44 H new ATOM 0 HG22 VAL A 20 20.769 18.316 -12.486 1.00 44.44 H new ATOM 0 HG23 VAL A 20 20.717 20.075 -12.217 1.00 44.44 H new ATOM 287 N ASN A 21 18.916 17.265 -8.358 1.00 13.51 N ATOM 288 CA ASN A 21 18.745 16.798 -6.985 1.00 61.42 C ATOM 289 C ASN A 21 19.978 16.011 -6.563 1.00 15.32 C ATOM 290 O ASN A 21 20.680 15.459 -7.407 1.00 60.15 O ATOM 291 CB ASN A 21 17.485 15.921 -6.871 1.00 40.23 C ATOM 292 CG ASN A 21 17.249 15.387 -5.465 1.00 14.14 C ATOM 293 OD1 ASN A 21 17.588 16.028 -4.474 1.00 1.33 O ATOM 294 ND2 ASN A 21 16.668 14.200 -5.370 1.00 30.15 N ATOM 0 H ASN A 21 18.721 16.559 -9.068 1.00 13.51 H new ATOM 0 HA ASN A 21 18.623 17.657 -6.325 1.00 61.42 H new ATOM 0 HB2 ASN A 21 16.617 16.502 -7.182 1.00 40.23 H new ATOM 0 HB3 ASN A 21 17.571 15.082 -7.561 1.00 40.23 H new ATOM 0 HD21 ASN A 21 16.489 13.792 -4.453 1.00 30.15 H new ATOM 0 HD22 ASN A 21 16.399 13.695 -6.214 1.00 30.15 H new ATOM 301 N ASP A 22 20.240 15.961 -5.264 1.00 31.34 N ATOM 302 CA ASP A 22 21.413 15.263 -4.738 1.00 71.21 C ATOM 303 C ASP A 22 21.420 13.795 -5.161 1.00 5.13 C ATOM 304 O ASP A 22 22.462 13.244 -5.514 1.00 75.41 O ATOM 305 CB ASP A 22 21.463 15.357 -3.212 1.00 63.32 C ATOM 306 CG ASP A 22 22.682 14.663 -2.633 1.00 13.22 C ATOM 307 OD1 ASP A 22 23.773 15.269 -2.634 1.00 22.11 O ATOM 308 OD2 ASP A 22 22.563 13.502 -2.192 1.00 4.44 O ATOM 0 H ASP A 22 19.656 16.396 -4.550 1.00 31.34 H new ATOM 0 HA ASP A 22 22.295 15.750 -5.154 1.00 71.21 H new ATOM 0 HB2 ASP A 22 21.469 16.406 -2.915 1.00 63.32 H new ATOM 0 HB3 ASP A 22 20.561 14.912 -2.793 1.00 63.32 H new ATOM 313 N GLU A 23 20.250 13.170 -5.128 1.00 75.54 N ATOM 314 CA GLU A 23 20.117 11.767 -5.510 1.00 32.45 C ATOM 315 C GLU A 23 19.585 11.638 -6.933 1.00 53.52 C ATOM 316 O GLU A 23 18.975 10.628 -7.290 1.00 4.33 O ATOM 317 CB GLU A 23 19.186 11.038 -4.543 1.00 55.34 C ATOM 318 CG GLU A 23 19.632 11.107 -3.093 1.00 3.05 C ATOM 319 CD GLU A 23 18.725 10.318 -2.176 1.00 72.14 C ATOM 320 OE1 GLU A 23 17.545 10.700 -2.023 1.00 42.25 O ATOM 321 OE2 GLU A 23 19.182 9.307 -1.605 1.00 41.22 O ATOM 0 H GLU A 23 19.377 13.612 -4.840 1.00 75.54 H new ATOM 0 HA GLU A 23 21.106 11.312 -5.466 1.00 32.45 H new ATOM 0 HB2 GLU A 23 18.186 11.463 -4.626 1.00 55.34 H new ATOM 0 HB3 GLU A 23 19.114 9.992 -4.842 1.00 55.34 H new ATOM 0 HG2 GLU A 23 20.650 10.726 -3.010 1.00 3.05 H new ATOM 0 HG3 GLU A 23 19.654 12.148 -2.771 1.00 3.05 H new ATOM 328 N ASP A 24 19.825 12.658 -7.745 1.00 13.53 N ATOM 329 CA ASP A 24 19.374 12.664 -9.131 1.00 20.35 C ATOM 330 C ASP A 24 20.505 13.138 -10.037 1.00 53.33 C ATOM 331 O ASP A 24 21.527 13.626 -9.551 1.00 63.23 O ATOM 332 CB ASP A 24 18.136 13.559 -9.278 1.00 43.45 C ATOM 333 CG ASP A 24 17.683 13.735 -10.716 1.00 72.21 C ATOM 334 OD1 ASP A 24 17.515 12.716 -11.421 1.00 61.12 O ATOM 335 OD2 ASP A 24 17.508 14.892 -11.142 1.00 52.14 O ATOM 0 H ASP A 24 20.333 13.497 -7.466 1.00 13.53 H new ATOM 0 HA ASP A 24 19.096 11.653 -9.428 1.00 20.35 H new ATOM 0 HB2 ASP A 24 17.318 13.132 -8.697 1.00 43.45 H new ATOM 0 HB3 ASP A 24 18.353 14.538 -8.851 1.00 43.45 H new ATOM 340 N GLN A 25 20.338 12.969 -11.336 1.00 74.12 N ATOM 341 CA GLN A 25 21.360 13.364 -12.290 1.00 5.14 C ATOM 342 C GLN A 25 20.917 14.599 -13.062 1.00 61.33 C ATOM 343 O GLN A 25 21.707 15.513 -13.303 1.00 2.43 O ATOM 344 CB GLN A 25 21.648 12.227 -13.269 1.00 50.45 C ATOM 345 CG GLN A 25 21.835 10.876 -12.599 1.00 62.10 C ATOM 346 CD GLN A 25 22.392 9.831 -13.540 1.00 4.10 C ATOM 347 OE1 GLN A 25 21.647 9.125 -14.223 1.00 73.34 O ATOM 348 NE2 GLN A 25 23.710 9.728 -13.576 1.00 42.45 N ATOM 0 H GLN A 25 19.503 12.560 -11.756 1.00 74.12 H new ATOM 0 HA GLN A 25 22.270 13.595 -11.736 1.00 5.14 H new ATOM 0 HB2 GLN A 25 20.827 12.158 -13.983 1.00 50.45 H new ATOM 0 HB3 GLN A 25 22.546 12.468 -13.838 1.00 50.45 H new ATOM 0 HG2 GLN A 25 22.506 10.987 -11.747 1.00 62.10 H new ATOM 0 HG3 GLN A 25 20.877 10.533 -12.208 1.00 62.10 H new ATOM 0 HE21 GLN A 25 24.285 10.335 -12.992 1.00 42.45 H new ATOM 0 HE22 GLN A 25 24.151 9.042 -14.188 1.00 42.45 H new ATOM 357 N HIS A 26 19.647 14.622 -13.451 1.00 20.14 N ATOM 358 CA HIS A 26 19.114 15.713 -14.257 1.00 44.33 C ATOM 359 C HIS A 26 17.587 15.707 -14.283 1.00 25.54 C ATOM 360 O HIS A 26 16.965 14.706 -14.643 1.00 2.13 O ATOM 361 CB HIS A 26 19.656 15.640 -15.694 1.00 1.43 C ATOM 362 CG HIS A 26 19.681 14.259 -16.291 1.00 15.33 C ATOM 363 ND1 HIS A 26 18.559 13.475 -16.443 1.00 25.13 N ATOM 364 CD2 HIS A 26 20.712 13.526 -16.779 1.00 31.34 C ATOM 365 CE1 HIS A 26 18.895 12.325 -16.998 1.00 13.51 C ATOM 366 NE2 HIS A 26 20.195 12.331 -17.211 1.00 71.22 N ATOM 0 H HIS A 26 18.968 13.897 -13.221 1.00 20.14 H new ATOM 0 HA HIS A 26 19.442 16.644 -13.793 1.00 44.33 H new ATOM 0 HB2 HIS A 26 19.048 16.284 -16.329 1.00 1.43 H new ATOM 0 HB3 HIS A 26 20.668 16.044 -15.706 1.00 1.43 H new ATOM 0 HD1 HIS A 26 17.613 13.742 -16.169 1.00 25.13 H new ATOM 0 HD2 HIS A 26 21.748 13.827 -16.820 1.00 31.34 H new ATOM 0 HE1 HIS A 26 18.219 11.517 -17.237 1.00 13.51 H new ATOM 375 N SER A 27 16.997 16.848 -13.957 1.00 70.05 N ATOM 376 CA SER A 27 15.552 17.003 -13.993 1.00 44.25 C ATOM 377 C SER A 27 15.164 18.384 -14.525 1.00 53.24 C ATOM 378 O SER A 27 15.828 19.385 -14.251 1.00 54.43 O ATOM 379 CB SER A 27 14.959 16.797 -12.596 1.00 40.02 C ATOM 380 OG SER A 27 15.136 15.463 -12.155 1.00 42.35 O ATOM 0 H SER A 27 17.502 17.684 -13.663 1.00 70.05 H new ATOM 0 HA SER A 27 15.148 16.247 -14.666 1.00 44.25 H new ATOM 0 HB2 SER A 27 15.433 17.481 -11.892 1.00 40.02 H new ATOM 0 HB3 SER A 27 13.897 17.040 -12.610 1.00 40.02 H new ATOM 0 HG SER A 27 15.917 15.414 -11.566 1.00 42.35 H new ATOM 386 N LEU A 28 14.096 18.426 -15.305 1.00 62.10 N ATOM 387 CA LEU A 28 13.564 19.683 -15.808 1.00 50.32 C ATOM 388 C LEU A 28 12.266 20.005 -15.086 1.00 31.11 C ATOM 389 O LEU A 28 11.222 19.416 -15.370 1.00 61.20 O ATOM 390 CB LEU A 28 13.345 19.627 -17.328 1.00 53.12 C ATOM 391 CG LEU A 28 14.580 19.934 -18.190 1.00 43.24 C ATOM 392 CD1 LEU A 28 15.112 21.321 -17.872 1.00 11.32 C ATOM 393 CD2 LEU A 28 15.669 18.891 -17.989 1.00 22.11 C ATOM 0 H LEU A 28 13.578 17.600 -15.605 1.00 62.10 H new ATOM 0 HA LEU A 28 14.289 20.474 -15.615 1.00 50.32 H new ATOM 0 HB2 LEU A 28 12.981 18.633 -17.588 1.00 53.12 H new ATOM 0 HB3 LEU A 28 12.557 20.333 -17.590 1.00 53.12 H new ATOM 0 HG LEU A 28 14.276 19.902 -19.236 1.00 43.24 H new ATOM 0 HD11 LEU A 28 15.987 21.526 -18.489 1.00 11.32 H new ATOM 0 HD12 LEU A 28 14.340 22.063 -18.078 1.00 11.32 H new ATOM 0 HD13 LEU A 28 15.391 21.371 -16.820 1.00 11.32 H new ATOM 0 HD21 LEU A 28 16.528 19.137 -18.613 1.00 22.11 H new ATOM 0 HD22 LEU A 28 15.972 18.879 -16.942 1.00 22.11 H new ATOM 0 HD23 LEU A 28 15.288 17.909 -18.268 1.00 22.11 H new ATOM 405 N TRP A 29 12.345 20.926 -14.140 1.00 50.34 N ATOM 406 CA TRP A 29 11.226 21.211 -13.252 1.00 20.41 C ATOM 407 C TRP A 29 10.597 22.559 -13.599 1.00 32.24 C ATOM 408 O TRP A 29 11.306 23.554 -13.748 1.00 74.10 O ATOM 409 CB TRP A 29 11.719 21.203 -11.800 1.00 43.11 C ATOM 410 CG TRP A 29 10.629 21.100 -10.774 1.00 62.11 C ATOM 411 CD1 TRP A 29 10.335 22.001 -9.793 1.00 23.24 C ATOM 412 CD2 TRP A 29 9.694 20.025 -10.627 1.00 74.32 C ATOM 413 NE1 TRP A 29 9.277 21.549 -9.043 1.00 60.32 N ATOM 414 CE2 TRP A 29 8.863 20.342 -9.537 1.00 25.15 C ATOM 415 CE3 TRP A 29 9.477 18.826 -11.313 1.00 12.00 C ATOM 416 CZ2 TRP A 29 7.836 19.502 -9.116 1.00 50.34 C ATOM 417 CZ3 TRP A 29 8.457 17.995 -10.895 1.00 73.52 C ATOM 418 CH2 TRP A 29 7.645 18.336 -9.807 1.00 70.13 C ATOM 0 H TRP A 29 13.175 21.492 -13.965 1.00 50.34 H new ATOM 0 HA TRP A 29 10.462 20.443 -13.376 1.00 20.41 H new ATOM 0 HB2 TRP A 29 12.406 20.367 -11.667 1.00 43.11 H new ATOM 0 HB3 TRP A 29 12.288 22.115 -11.617 1.00 43.11 H new ATOM 0 HD1 TRP A 29 10.857 22.932 -9.630 1.00 23.24 H new ATOM 0 HE1 TRP A 29 8.866 22.035 -8.246 1.00 60.32 H new ATOM 0 HE3 TRP A 29 10.097 18.555 -12.155 1.00 12.00 H new ATOM 0 HZ2 TRP A 29 7.212 19.761 -8.274 1.00 50.34 H new ATOM 0 HZ3 TRP A 29 8.282 17.066 -11.417 1.00 73.52 H new ATOM 0 HH2 TRP A 29 6.853 17.666 -9.507 1.00 70.13 H new ATOM 429 N PRO A 30 9.264 22.595 -13.755 1.00 72.53 N ATOM 430 CA PRO A 30 8.530 23.818 -14.114 1.00 63.44 C ATOM 431 C PRO A 30 8.724 24.952 -13.109 1.00 0.24 C ATOM 432 O PRO A 30 8.912 24.720 -11.910 1.00 73.54 O ATOM 433 CB PRO A 30 7.063 23.370 -14.128 1.00 4.34 C ATOM 434 CG PRO A 30 7.117 21.893 -14.310 1.00 3.34 C ATOM 435 CD PRO A 30 8.363 21.442 -13.610 1.00 51.14 C ATOM 0 HA PRO A 30 8.881 24.223 -15.063 1.00 63.44 H new ATOM 0 HB2 PRO A 30 6.560 23.636 -13.198 1.00 4.34 H new ATOM 0 HB3 PRO A 30 6.511 23.848 -14.937 1.00 4.34 H new ATOM 0 HG2 PRO A 30 6.235 21.414 -13.886 1.00 3.34 H new ATOM 0 HG3 PRO A 30 7.145 21.630 -15.367 1.00 3.34 H new ATOM 0 HD2 PRO A 30 8.174 21.207 -12.562 1.00 51.14 H new ATOM 0 HD3 PRO A 30 8.780 20.545 -14.067 1.00 51.14 H new ATOM 443 N VAL A 31 8.678 26.179 -13.609 1.00 5.34 N ATOM 444 CA VAL A 31 8.811 27.356 -12.768 1.00 31.12 C ATOM 445 C VAL A 31 7.503 27.614 -12.023 1.00 22.24 C ATOM 446 O VAL A 31 6.426 27.265 -12.514 1.00 72.24 O ATOM 447 CB VAL A 31 9.211 28.598 -13.602 1.00 4.33 C ATOM 448 CG1 VAL A 31 8.108 28.988 -14.576 1.00 70.22 C ATOM 449 CG2 VAL A 31 9.590 29.768 -12.701 1.00 74.32 C ATOM 0 H VAL A 31 8.549 26.384 -14.600 1.00 5.34 H new ATOM 0 HA VAL A 31 9.604 27.171 -12.044 1.00 31.12 H new ATOM 0 HB VAL A 31 10.091 28.333 -14.189 1.00 4.33 H new ATOM 0 HG11 VAL A 31 8.419 29.863 -15.147 1.00 70.22 H new ATOM 0 HG12 VAL A 31 7.915 28.160 -15.258 1.00 70.22 H new ATOM 0 HG13 VAL A 31 7.199 29.221 -14.022 1.00 70.22 H new ATOM 0 HG21 VAL A 31 9.866 30.625 -13.315 1.00 74.32 H new ATOM 0 HG22 VAL A 31 8.741 30.032 -12.070 1.00 74.32 H new ATOM 0 HG23 VAL A 31 10.434 29.485 -12.073 1.00 74.32 H new ATOM 459 N PHE A 32 7.613 28.186 -10.822 1.00 43.21 N ATOM 460 CA PHE A 32 6.458 28.474 -9.964 1.00 54.23 C ATOM 461 C PHE A 32 5.861 27.192 -9.392 1.00 21.23 C ATOM 462 O PHE A 32 4.823 27.221 -8.733 1.00 40.43 O ATOM 463 CB PHE A 32 5.378 29.281 -10.703 1.00 43.03 C ATOM 464 CG PHE A 32 5.787 30.688 -11.020 1.00 53.00 C ATOM 465 CD1 PHE A 32 5.747 31.666 -10.040 1.00 4.02 C ATOM 466 CD2 PHE A 32 6.207 31.036 -12.293 1.00 61.21 C ATOM 467 CE1 PHE A 32 6.117 32.965 -10.323 1.00 34.13 C ATOM 468 CE2 PHE A 32 6.579 32.332 -12.583 1.00 63.22 C ATOM 469 CZ PHE A 32 6.535 33.299 -11.597 1.00 44.13 C ATOM 0 H PHE A 32 8.506 28.464 -10.415 1.00 43.21 H new ATOM 0 HA PHE A 32 6.824 29.085 -9.139 1.00 54.23 H new ATOM 0 HB2 PHE A 32 5.125 28.768 -11.631 1.00 43.03 H new ATOM 0 HB3 PHE A 32 4.474 29.303 -10.095 1.00 43.03 H new ATOM 0 HD1 PHE A 32 5.422 31.409 -9.043 1.00 4.02 H new ATOM 0 HD2 PHE A 32 6.244 30.284 -13.067 1.00 61.21 H new ATOM 0 HE1 PHE A 32 6.080 33.719 -9.550 1.00 34.13 H new ATOM 0 HE2 PHE A 32 6.904 32.591 -13.580 1.00 63.22 H new ATOM 0 HZ PHE A 32 6.827 34.314 -11.822 1.00 44.13 H new ATOM 479 N ALA A 33 6.521 26.070 -9.642 1.00 62.53 N ATOM 480 CA ALA A 33 6.114 24.801 -9.068 1.00 73.21 C ATOM 481 C ALA A 33 6.834 24.587 -7.745 1.00 14.11 C ATOM 482 O ALA A 33 7.895 25.167 -7.513 1.00 13.22 O ATOM 483 CB ALA A 33 6.403 23.659 -10.031 1.00 74.20 C ATOM 0 H ALA A 33 7.344 26.016 -10.242 1.00 62.53 H new ATOM 0 HA ALA A 33 5.039 24.820 -8.887 1.00 73.21 H new ATOM 0 HB1 ALA A 33 6.091 22.716 -9.582 1.00 74.20 H new ATOM 0 HB2 ALA A 33 5.854 23.818 -10.959 1.00 74.20 H new ATOM 0 HB3 ALA A 33 7.472 23.623 -10.243 1.00 74.20 H new ATOM 489 N ASP A 34 6.262 23.764 -6.878 1.00 73.54 N ATOM 490 CA ASP A 34 6.849 23.528 -5.565 1.00 12.01 C ATOM 491 C ASP A 34 8.127 22.713 -5.694 1.00 25.54 C ATOM 492 O ASP A 34 8.185 21.751 -6.459 1.00 43.40 O ATOM 493 CB ASP A 34 5.856 22.814 -4.651 1.00 72.34 C ATOM 494 CG ASP A 34 6.336 22.747 -3.214 1.00 35.13 C ATOM 495 OD1 ASP A 34 6.627 23.815 -2.630 1.00 51.51 O ATOM 496 OD2 ASP A 34 6.417 21.635 -2.659 1.00 44.20 O ATOM 0 H ASP A 34 5.398 23.251 -7.057 1.00 73.54 H new ATOM 0 HA ASP A 34 7.093 24.493 -5.121 1.00 12.01 H new ATOM 0 HB2 ASP A 34 4.897 23.331 -4.687 1.00 72.34 H new ATOM 0 HB3 ASP A 34 5.687 21.803 -5.022 1.00 72.34 H new ATOM 501 N ILE A 35 9.151 23.116 -4.963 1.00 23.41 N ATOM 502 CA ILE A 35 10.441 22.453 -5.021 1.00 54.34 C ATOM 503 C ILE A 35 10.787 21.865 -3.654 1.00 65.45 C ATOM 504 O ILE A 35 10.653 22.545 -2.633 1.00 14.24 O ATOM 505 CB ILE A 35 11.556 23.437 -5.460 1.00 10.14 C ATOM 506 CG1 ILE A 35 11.190 24.098 -6.797 1.00 72.42 C ATOM 507 CG2 ILE A 35 12.896 22.718 -5.569 1.00 64.03 C ATOM 508 CD1 ILE A 35 12.202 25.121 -7.274 1.00 60.24 C ATOM 0 H ILE A 35 9.113 23.905 -4.318 1.00 23.41 H new ATOM 0 HA ILE A 35 10.377 21.653 -5.759 1.00 54.34 H new ATOM 0 HB ILE A 35 11.646 24.215 -4.702 1.00 10.14 H new ATOM 0 HG12 ILE A 35 11.085 23.324 -7.557 1.00 72.42 H new ATOM 0 HG13 ILE A 35 10.218 24.582 -6.698 1.00 72.42 H new ATOM 0 HG21 ILE A 35 13.665 23.426 -5.878 1.00 64.03 H new ATOM 0 HG22 ILE A 35 13.161 22.294 -4.600 1.00 64.03 H new ATOM 0 HG23 ILE A 35 12.821 21.919 -6.306 1.00 64.03 H new ATOM 0 HD11 ILE A 35 11.873 25.543 -8.224 1.00 60.24 H new ATOM 0 HD12 ILE A 35 12.291 25.917 -6.535 1.00 60.24 H new ATOM 0 HD13 ILE A 35 13.171 24.640 -7.407 1.00 60.24 H new ATOM 520 N PRO A 36 11.200 20.586 -3.618 1.00 20.01 N ATOM 521 CA PRO A 36 11.637 19.918 -2.382 1.00 12.02 C ATOM 522 C PRO A 36 12.964 20.464 -1.862 1.00 43.41 C ATOM 523 O PRO A 36 13.403 21.539 -2.260 1.00 52.44 O ATOM 524 CB PRO A 36 11.813 18.459 -2.809 1.00 34.45 C ATOM 525 CG PRO A 36 12.040 18.510 -4.280 1.00 42.11 C ATOM 526 CD PRO A 36 11.258 19.689 -4.783 1.00 44.21 C ATOM 0 HA PRO A 36 10.922 20.065 -1.573 1.00 12.02 H new ATOM 0 HB2 PRO A 36 12.656 17.997 -2.296 1.00 34.45 H new ATOM 0 HB3 PRO A 36 10.930 17.868 -2.567 1.00 34.45 H new ATOM 0 HG2 PRO A 36 13.100 18.621 -4.507 1.00 42.11 H new ATOM 0 HG3 PRO A 36 11.706 17.589 -4.758 1.00 42.11 H new ATOM 0 HD2 PRO A 36 11.750 20.164 -5.631 1.00 44.21 H new ATOM 0 HD3 PRO A 36 10.262 19.397 -5.115 1.00 44.21 H new ATOM 534 N ALA A 37 13.604 19.715 -0.974 1.00 32.34 N ATOM 535 CA ALA A 37 14.902 20.099 -0.444 1.00 62.32 C ATOM 536 C ALA A 37 16.009 19.255 -1.067 1.00 3.44 C ATOM 537 O ALA A 37 15.749 18.173 -1.598 1.00 34.45 O ATOM 538 CB ALA A 37 14.914 19.960 1.070 1.00 21.30 C ATOM 0 H ALA A 37 13.242 18.835 -0.606 1.00 32.34 H new ATOM 0 HA ALA A 37 15.085 21.143 -0.700 1.00 62.32 H new ATOM 0 HB1 ALA A 37 15.892 20.251 1.454 1.00 21.30 H new ATOM 0 HB2 ALA A 37 14.148 20.605 1.501 1.00 21.30 H new ATOM 0 HB3 ALA A 37 14.711 18.924 1.342 1.00 21.30 H new ATOM 544 N GLY A 38 17.240 19.757 -1.000 1.00 61.52 N ATOM 545 CA GLY A 38 18.376 19.048 -1.565 1.00 71.31 C ATOM 546 C GLY A 38 18.533 19.314 -3.049 1.00 52.02 C ATOM 547 O GLY A 38 19.048 18.475 -3.793 1.00 65.45 O ATOM 0 H GLY A 38 17.472 20.648 -0.561 1.00 61.52 H new ATOM 0 HA2 GLY A 38 19.286 19.349 -1.045 1.00 71.31 H new ATOM 0 HA3 GLY A 38 18.253 17.978 -1.400 1.00 71.31 H new ATOM 551 N TRP A 39 18.108 20.492 -3.473 1.00 1.04 N ATOM 552 CA TRP A 39 18.092 20.838 -4.883 1.00 71.10 C ATOM 553 C TRP A 39 19.229 21.790 -5.238 1.00 53.52 C ATOM 554 O TRP A 39 19.818 22.433 -4.369 1.00 43.22 O ATOM 555 CB TRP A 39 16.753 21.489 -5.241 1.00 61.05 C ATOM 556 CG TRP A 39 16.447 22.708 -4.416 1.00 75.23 C ATOM 557 CD1 TRP A 39 15.787 22.744 -3.224 1.00 40.04 C ATOM 558 CD2 TRP A 39 16.795 24.065 -4.720 1.00 15.24 C ATOM 559 NE1 TRP A 39 15.695 24.038 -2.771 1.00 74.21 N ATOM 560 CE2 TRP A 39 16.309 24.867 -3.669 1.00 52.15 C ATOM 561 CE3 TRP A 39 17.470 24.681 -5.778 1.00 41.43 C ATOM 562 CZ2 TRP A 39 16.474 26.249 -3.649 1.00 4.21 C ATOM 563 CZ3 TRP A 39 17.635 26.053 -5.753 1.00 21.35 C ATOM 564 CH2 TRP A 39 17.140 26.822 -4.695 1.00 62.42 C ATOM 0 H TRP A 39 17.767 21.229 -2.856 1.00 1.04 H new ATOM 0 HA TRP A 39 18.225 19.919 -5.454 1.00 71.10 H new ATOM 0 HB2 TRP A 39 16.761 21.765 -6.296 1.00 61.05 H new ATOM 0 HB3 TRP A 39 15.955 20.759 -5.108 1.00 61.05 H new ATOM 0 HD1 TRP A 39 15.393 21.880 -2.710 1.00 40.04 H new ATOM 0 HE1 TRP A 39 15.242 24.332 -1.906 1.00 74.21 H new ATOM 0 HE3 TRP A 39 17.855 24.096 -6.600 1.00 41.43 H new ATOM 0 HZ2 TRP A 39 16.089 26.847 -2.836 1.00 4.21 H new ATOM 0 HZ3 TRP A 39 18.155 26.540 -6.565 1.00 21.35 H new ATOM 0 HH2 TRP A 39 17.287 27.892 -4.705 1.00 62.42 H new ATOM 575 N ARG A 40 19.524 21.864 -6.526 1.00 15.10 N ATOM 576 CA ARG A 40 20.485 22.819 -7.053 1.00 61.03 C ATOM 577 C ARG A 40 20.082 23.218 -8.469 1.00 54.24 C ATOM 578 O ARG A 40 20.015 22.377 -9.366 1.00 13.25 O ATOM 579 CB ARG A 40 21.896 22.217 -7.041 1.00 5.24 C ATOM 580 CG ARG A 40 22.955 23.077 -7.722 1.00 52.34 C ATOM 581 CD ARG A 40 23.116 24.437 -7.055 1.00 31.33 C ATOM 582 NE ARG A 40 24.249 25.177 -7.615 1.00 23.32 N ATOM 583 CZ ARG A 40 24.457 26.486 -7.458 1.00 30.25 C ATOM 584 NH1 ARG A 40 23.594 27.234 -6.779 1.00 71.53 N ATOM 585 NH2 ARG A 40 25.536 27.043 -7.996 1.00 14.54 N ATOM 0 H ARG A 40 19.104 21.264 -7.235 1.00 15.10 H new ATOM 0 HA ARG A 40 20.491 23.708 -6.423 1.00 61.03 H new ATOM 0 HB2 ARG A 40 22.195 22.045 -6.007 1.00 5.24 H new ATOM 0 HB3 ARG A 40 21.866 21.244 -7.531 1.00 5.24 H new ATOM 0 HG2 ARG A 40 23.910 22.552 -7.706 1.00 52.34 H new ATOM 0 HG3 ARG A 40 22.686 23.218 -8.769 1.00 52.34 H new ATOM 0 HD2 ARG A 40 22.202 25.017 -7.183 1.00 31.33 H new ATOM 0 HD3 ARG A 40 23.261 24.303 -5.983 1.00 31.33 H new ATOM 0 HE ARG A 40 24.929 24.653 -8.166 1.00 23.32 H new ATOM 0 HH11 ARG A 40 22.761 26.809 -6.371 1.00 71.53 H new ATOM 0 HH12 ARG A 40 23.764 28.233 -6.666 1.00 71.53 H new ATOM 0 HH21 ARG A 40 26.196 26.471 -8.523 1.00 14.54 H new ATOM 0 HH22 ARG A 40 25.705 28.043 -7.882 1.00 14.54 H new ATOM 599 N VAL A 41 19.782 24.495 -8.660 1.00 40.24 N ATOM 600 CA VAL A 41 19.422 24.999 -9.979 1.00 71.24 C ATOM 601 C VAL A 41 20.677 25.328 -10.778 1.00 31.12 C ATOM 602 O VAL A 41 21.470 26.180 -10.378 1.00 65.41 O ATOM 603 CB VAL A 41 18.524 26.253 -9.889 1.00 61.45 C ATOM 604 CG1 VAL A 41 18.227 26.813 -11.275 1.00 25.00 C ATOM 605 CG2 VAL A 41 17.227 25.936 -9.166 1.00 14.32 C ATOM 0 H VAL A 41 19.780 25.199 -7.922 1.00 40.24 H new ATOM 0 HA VAL A 41 18.859 24.214 -10.484 1.00 71.24 H new ATOM 0 HB VAL A 41 19.066 27.009 -9.320 1.00 61.45 H new ATOM 0 HG11 VAL A 41 17.593 27.695 -11.183 1.00 25.00 H new ATOM 0 HG12 VAL A 41 19.161 27.087 -11.765 1.00 25.00 H new ATOM 0 HG13 VAL A 41 17.714 26.058 -11.870 1.00 25.00 H new ATOM 0 HG21 VAL A 41 16.611 26.833 -9.114 1.00 14.32 H new ATOM 0 HG22 VAL A 41 16.690 25.157 -9.707 1.00 14.32 H new ATOM 0 HG23 VAL A 41 17.448 25.589 -8.157 1.00 14.32 H new ATOM 615 N VAL A 42 20.855 24.641 -11.894 1.00 40.32 N ATOM 616 CA VAL A 42 22.021 24.850 -12.740 1.00 63.24 C ATOM 617 C VAL A 42 21.826 26.089 -13.614 1.00 50.15 C ATOM 618 O VAL A 42 22.764 26.844 -13.871 1.00 15.22 O ATOM 619 CB VAL A 42 22.289 23.618 -13.636 1.00 42.14 C ATOM 620 CG1 VAL A 42 23.601 23.768 -14.392 1.00 23.52 C ATOM 621 CG2 VAL A 42 22.284 22.337 -12.807 1.00 52.31 C ATOM 0 H VAL A 42 20.206 23.932 -12.237 1.00 40.32 H new ATOM 0 HA VAL A 42 22.883 24.998 -12.090 1.00 63.24 H new ATOM 0 HB VAL A 42 21.485 23.553 -14.369 1.00 42.14 H new ATOM 0 HG11 VAL A 42 23.765 22.888 -15.014 1.00 23.52 H new ATOM 0 HG12 VAL A 42 23.558 24.656 -15.023 1.00 23.52 H new ATOM 0 HG13 VAL A 42 24.421 23.868 -13.681 1.00 23.52 H new ATOM 0 HG21 VAL A 42 22.474 21.483 -13.456 1.00 52.31 H new ATOM 0 HG22 VAL A 42 23.061 22.394 -12.045 1.00 52.31 H new ATOM 0 HG23 VAL A 42 21.313 22.218 -12.327 1.00 52.31 H new ATOM 631 N HIS A 43 20.593 26.288 -14.062 1.00 32.14 N ATOM 632 CA HIS A 43 20.232 27.450 -14.862 1.00 42.41 C ATOM 633 C HIS A 43 18.719 27.632 -14.821 1.00 1.25 C ATOM 634 O HIS A 43 17.990 26.671 -14.565 1.00 24.14 O ATOM 635 CB HIS A 43 20.729 27.287 -16.308 1.00 4.00 C ATOM 636 CG HIS A 43 20.407 28.453 -17.200 1.00 10.14 C ATOM 637 ND1 HIS A 43 19.413 28.629 -18.101 1.00 72.12 N flip ATOM 638 CD2 HIS A 43 21.134 29.625 -17.210 1.00 61.44 C flip ATOM 639 CE1 HIS A 43 19.550 29.887 -18.631 1.00 25.41 C flip ATOM 640 NE2 HIS A 43 20.600 30.465 -18.076 1.00 3.32 N flip ATOM 0 H HIS A 43 19.818 25.650 -13.881 1.00 32.14 H new ATOM 0 HA HIS A 43 20.709 28.339 -14.449 1.00 42.41 H new ATOM 0 HB2 HIS A 43 21.809 27.139 -16.296 1.00 4.00 H new ATOM 0 HB3 HIS A 43 20.289 26.385 -16.733 1.00 4.00 H new ATOM 0 HD2 HIS A 43 22.005 29.824 -16.603 1.00 61.44 H new ATOM 0 HE1 HIS A 43 18.907 30.330 -19.377 1.00 25.41 H new ATOM 0 HE2 HIS A 43 20.941 31.404 -18.282 1.00 3.32 H new ATOM 649 N GLY A 44 18.258 28.863 -15.048 1.00 64.42 N ATOM 650 CA GLY A 44 16.836 29.153 -15.033 1.00 40.31 C ATOM 651 C GLY A 44 16.088 28.538 -16.196 1.00 11.43 C ATOM 652 O GLY A 44 16.271 27.364 -16.519 1.00 14.32 O ATOM 0 H GLY A 44 18.852 29.669 -15.243 1.00 64.42 H new ATOM 0 HA2 GLY A 44 16.407 28.787 -14.100 1.00 40.31 H new ATOM 0 HA3 GLY A 44 16.692 30.233 -15.048 1.00 40.31 H new ATOM 656 N GLU A 45 15.265 29.340 -16.850 1.00 41.53 N ATOM 657 CA GLU A 45 14.400 28.820 -17.896 1.00 24.13 C ATOM 658 C GLU A 45 15.092 28.861 -19.240 1.00 75.21 C ATOM 659 O GLU A 45 15.164 29.877 -19.925 1.00 73.32 O ATOM 660 CB GLU A 45 13.029 29.517 -17.931 1.00 41.13 C ATOM 661 CG GLU A 45 13.057 30.988 -17.566 1.00 22.15 C ATOM 662 CD GLU A 45 13.591 31.878 -18.668 1.00 40.03 C ATOM 663 OE1 GLU A 45 12.852 32.134 -19.642 1.00 61.15 O ATOM 664 OE2 GLU A 45 14.750 32.333 -18.559 1.00 54.25 O ATOM 0 H GLU A 45 15.177 30.342 -16.679 1.00 41.53 H new ATOM 0 HA GLU A 45 14.199 27.776 -17.657 1.00 24.13 H new ATOM 0 HB2 GLU A 45 12.609 29.413 -18.931 1.00 41.13 H new ATOM 0 HB3 GLU A 45 12.356 29.000 -17.247 1.00 41.13 H new ATOM 0 HG2 GLU A 45 12.047 31.309 -17.309 1.00 22.15 H new ATOM 0 HG3 GLU A 45 13.670 31.121 -16.675 1.00 22.15 H new ATOM 671 N ALA A 46 15.626 27.727 -19.576 1.00 42.34 N ATOM 672 CA ALA A 46 16.224 27.493 -20.880 1.00 4.43 C ATOM 673 C ALA A 46 15.502 26.349 -21.559 1.00 3.13 C ATOM 674 O ALA A 46 14.958 25.484 -20.879 1.00 72.05 O ATOM 675 CB ALA A 46 17.706 27.184 -20.746 1.00 74.23 C ATOM 0 H ALA A 46 15.666 26.920 -18.954 1.00 42.34 H new ATOM 0 HA ALA A 46 16.126 28.394 -21.486 1.00 4.43 H new ATOM 0 HB1 ALA A 46 18.133 27.012 -21.734 1.00 74.23 H new ATOM 0 HB2 ALA A 46 18.212 28.026 -20.274 1.00 74.23 H new ATOM 0 HB3 ALA A 46 17.838 26.292 -20.134 1.00 74.23 H new ATOM 681 N SER A 47 15.506 26.348 -22.888 1.00 52.43 N ATOM 682 CA SER A 47 14.794 25.341 -23.670 1.00 21.43 C ATOM 683 C SER A 47 15.053 23.927 -23.138 1.00 15.04 C ATOM 684 O SER A 47 16.203 23.519 -22.954 1.00 74.34 O ATOM 685 CB SER A 47 15.202 25.454 -25.138 1.00 75.44 C ATOM 686 OG SER A 47 14.985 26.778 -25.606 1.00 33.40 O ATOM 0 H SER A 47 15.999 27.040 -23.451 1.00 52.43 H new ATOM 0 HA SER A 47 13.724 25.525 -23.579 1.00 21.43 H new ATOM 0 HB2 SER A 47 16.253 25.187 -25.253 1.00 75.44 H new ATOM 0 HB3 SER A 47 14.627 24.749 -25.738 1.00 75.44 H new ATOM 0 HG SER A 47 15.251 26.840 -26.547 1.00 33.40 H new ATOM 692 N ARG A 48 13.964 23.195 -22.897 1.00 24.40 N ATOM 693 CA ARG A 48 14.020 21.888 -22.243 1.00 63.42 C ATOM 694 C ARG A 48 14.897 20.922 -23.034 1.00 12.32 C ATOM 695 O ARG A 48 15.638 20.122 -22.455 1.00 12.12 O ATOM 696 CB ARG A 48 12.599 21.328 -22.077 1.00 31.24 C ATOM 697 CG ARG A 48 12.509 20.107 -21.171 1.00 63.13 C ATOM 698 CD ARG A 48 12.736 18.809 -21.929 1.00 15.30 C ATOM 699 NE ARG A 48 11.628 18.501 -22.833 1.00 30.40 N ATOM 700 CZ ARG A 48 11.775 18.135 -24.107 1.00 64.14 C ATOM 701 NH1 ARG A 48 12.991 18.054 -24.638 1.00 2.12 N ATOM 702 NH2 ARG A 48 10.702 17.855 -24.843 1.00 42.11 N ATOM 0 H ARG A 48 13.021 23.491 -23.149 1.00 24.40 H new ATOM 0 HA ARG A 48 14.467 22.008 -21.256 1.00 63.42 H new ATOM 0 HB2 ARG A 48 11.957 22.112 -21.676 1.00 31.24 H new ATOM 0 HB3 ARG A 48 12.207 21.066 -23.060 1.00 31.24 H new ATOM 0 HG2 ARG A 48 13.247 20.194 -20.374 1.00 63.13 H new ATOM 0 HG3 ARG A 48 11.528 20.081 -20.696 1.00 63.13 H new ATOM 0 HD2 ARG A 48 13.661 18.880 -22.501 1.00 15.30 H new ATOM 0 HD3 ARG A 48 12.862 17.992 -21.219 1.00 15.30 H new ATOM 0 HE ARG A 48 10.680 18.571 -22.464 1.00 30.40 H new ATOM 0 HH11 ARG A 48 13.811 18.272 -24.071 1.00 2.12 H new ATOM 0 HH12 ARG A 48 13.104 17.774 -25.612 1.00 2.12 H new ATOM 0 HH21 ARG A 48 9.771 17.921 -24.432 1.00 42.11 H new ATOM 0 HH22 ARG A 48 10.811 17.575 -25.818 1.00 42.11 H new ATOM 716 N ALA A 49 14.818 21.004 -24.357 1.00 71.21 N ATOM 717 CA ALA A 49 15.621 20.153 -25.226 1.00 23.33 C ATOM 718 C ALA A 49 17.110 20.456 -25.067 1.00 12.42 C ATOM 719 O ALA A 49 17.926 19.544 -24.953 1.00 4.23 O ATOM 720 CB ALA A 49 15.193 20.322 -26.675 1.00 24.31 C ATOM 0 H ALA A 49 14.205 21.652 -24.852 1.00 71.21 H new ATOM 0 HA ALA A 49 15.456 19.116 -24.933 1.00 23.33 H new ATOM 0 HB1 ALA A 49 15.802 19.680 -27.311 1.00 24.31 H new ATOM 0 HB2 ALA A 49 14.144 20.046 -26.779 1.00 24.31 H new ATOM 0 HB3 ALA A 49 15.326 21.361 -26.975 1.00 24.31 H new ATOM 726 N ALA A 50 17.451 21.739 -25.039 1.00 1.42 N ATOM 727 CA ALA A 50 18.836 22.163 -24.868 1.00 72.11 C ATOM 728 C ALA A 50 19.367 21.769 -23.491 1.00 72.52 C ATOM 729 O ALA A 50 20.549 21.464 -23.336 1.00 11.34 O ATOM 730 CB ALA A 50 18.965 23.664 -25.078 1.00 20.13 C ATOM 0 H ALA A 50 16.785 22.506 -25.133 1.00 1.42 H new ATOM 0 HA ALA A 50 19.438 21.653 -25.620 1.00 72.11 H new ATOM 0 HB1 ALA A 50 20.005 23.962 -24.946 1.00 20.13 H new ATOM 0 HB2 ALA A 50 18.639 23.920 -26.086 1.00 20.13 H new ATOM 0 HB3 ALA A 50 18.343 24.188 -24.352 1.00 20.13 H new ATOM 736 N CYS A 51 18.486 21.774 -22.496 1.00 34.11 N ATOM 737 CA CYS A 51 18.853 21.354 -21.149 1.00 53.12 C ATOM 738 C CYS A 51 19.180 19.860 -21.125 1.00 24.13 C ATOM 739 O CYS A 51 20.192 19.447 -20.550 1.00 22.31 O ATOM 740 CB CYS A 51 17.721 21.669 -20.175 1.00 2.53 C ATOM 741 SG CYS A 51 17.266 23.417 -20.128 1.00 11.35 S ATOM 0 H CYS A 51 17.513 22.064 -22.597 1.00 34.11 H new ATOM 0 HA CYS A 51 19.742 21.904 -20.841 1.00 53.12 H new ATOM 0 HB2 CYS A 51 16.844 21.082 -20.449 1.00 2.53 H new ATOM 0 HB3 CYS A 51 18.016 21.353 -19.175 1.00 2.53 H new ATOM 0 HG CYS A 51 16.775 23.769 -21.279 1.00 11.35 H new ATOM 747 N LEU A 52 18.323 19.057 -21.753 1.00 14.24 N ATOM 748 CA LEU A 52 18.598 17.630 -21.918 1.00 14.11 C ATOM 749 C LEU A 52 19.911 17.430 -22.664 1.00 14.41 C ATOM 750 O LEU A 52 20.745 16.628 -22.262 1.00 13.15 O ATOM 751 CB LEU A 52 17.459 16.936 -22.668 1.00 54.05 C ATOM 752 CG LEU A 52 16.137 16.842 -21.905 1.00 21.41 C ATOM 753 CD1 LEU A 52 15.098 16.109 -22.736 1.00 71.20 C ATOM 754 CD2 LEU A 52 16.341 16.142 -20.570 1.00 63.03 C ATOM 0 H LEU A 52 17.438 19.367 -22.154 1.00 14.24 H new ATOM 0 HA LEU A 52 18.679 17.183 -20.927 1.00 14.11 H new ATOM 0 HB2 LEU A 52 17.283 17.469 -23.602 1.00 54.05 H new ATOM 0 HB3 LEU A 52 17.780 15.928 -22.931 1.00 54.05 H new ATOM 0 HG LEU A 52 15.776 17.852 -21.712 1.00 21.41 H new ATOM 0 HD11 LEU A 52 14.163 16.050 -22.180 1.00 71.20 H new ATOM 0 HD12 LEU A 52 14.932 16.648 -23.669 1.00 71.20 H new ATOM 0 HD13 LEU A 52 15.453 15.102 -22.957 1.00 71.20 H new ATOM 0 HD21 LEU A 52 15.390 16.084 -20.041 1.00 63.03 H new ATOM 0 HD22 LEU A 52 16.723 15.136 -20.741 1.00 63.03 H new ATOM 0 HD23 LEU A 52 17.057 16.704 -19.970 1.00 63.03 H new ATOM 766 N ASP A 53 20.096 18.189 -23.733 1.00 61.53 N ATOM 767 CA ASP A 53 21.337 18.147 -24.500 1.00 54.43 C ATOM 768 C ASP A 53 22.536 18.421 -23.596 1.00 63.52 C ATOM 769 O ASP A 53 23.523 17.680 -23.612 1.00 62.44 O ATOM 770 CB ASP A 53 21.291 19.175 -25.632 1.00 40.30 C ATOM 771 CG ASP A 53 22.589 19.238 -26.408 1.00 11.42 C ATOM 772 OD1 ASP A 53 22.802 18.375 -27.286 1.00 63.05 O ATOM 773 OD2 ASP A 53 23.399 20.152 -26.153 1.00 1.13 O ATOM 0 H ASP A 53 19.402 18.844 -24.092 1.00 61.53 H new ATOM 0 HA ASP A 53 21.444 17.150 -24.928 1.00 54.43 H new ATOM 0 HB2 ASP A 53 20.476 18.926 -26.312 1.00 40.30 H new ATOM 0 HB3 ASP A 53 21.071 20.159 -25.217 1.00 40.30 H new ATOM 778 N TYR A 54 22.426 19.474 -22.793 1.00 62.01 N ATOM 779 CA TYR A 54 23.482 19.864 -21.869 1.00 33.33 C ATOM 780 C TYR A 54 23.842 18.729 -20.909 1.00 54.33 C ATOM 781 O TYR A 54 25.011 18.362 -20.784 1.00 52.04 O ATOM 782 CB TYR A 54 23.051 21.109 -21.079 1.00 21.41 C ATOM 783 CG TYR A 54 23.832 21.328 -19.796 1.00 53.34 C ATOM 784 CD1 TYR A 54 25.180 21.670 -19.822 1.00 31.52 C ATOM 785 CD2 TYR A 54 23.219 21.180 -18.555 1.00 62.33 C ATOM 786 CE1 TYR A 54 25.894 21.851 -18.650 1.00 53.11 C ATOM 787 CE2 TYR A 54 23.926 21.363 -17.382 1.00 32.53 C ATOM 788 CZ TYR A 54 25.261 21.697 -17.434 1.00 2.30 C ATOM 789 OH TYR A 54 25.967 21.868 -16.265 1.00 25.04 O ATOM 0 H TYR A 54 21.605 20.079 -22.765 1.00 62.01 H new ATOM 0 HA TYR A 54 24.372 20.094 -22.455 1.00 33.33 H new ATOM 0 HB2 TYR A 54 23.164 21.987 -21.715 1.00 21.41 H new ATOM 0 HB3 TYR A 54 21.992 21.024 -20.837 1.00 21.41 H new ATOM 0 HD1 TYR A 54 25.678 21.796 -20.772 1.00 31.52 H new ATOM 0 HD2 TYR A 54 22.172 20.918 -18.508 1.00 62.33 H new ATOM 0 HE1 TYR A 54 26.941 22.111 -18.687 1.00 53.11 H new ATOM 0 HE2 TYR A 54 23.434 21.245 -16.428 1.00 32.53 H new ATOM 0 HH TYR A 54 25.811 21.102 -15.674 1.00 25.04 H new ATOM 799 N VAL A 55 22.842 18.162 -20.247 1.00 13.21 N ATOM 800 CA VAL A 55 23.102 17.156 -19.224 1.00 73.54 C ATOM 801 C VAL A 55 23.652 15.870 -19.836 1.00 63.52 C ATOM 802 O VAL A 55 24.572 15.260 -19.291 1.00 1.14 O ATOM 803 CB VAL A 55 21.846 16.848 -18.376 1.00 74.32 C ATOM 804 CG1 VAL A 55 21.361 18.109 -17.685 1.00 11.35 C ATOM 805 CG2 VAL A 55 20.728 16.249 -19.215 1.00 3.21 C ATOM 0 H VAL A 55 21.856 18.377 -20.396 1.00 13.21 H new ATOM 0 HA VAL A 55 23.857 17.577 -18.560 1.00 73.54 H new ATOM 0 HB VAL A 55 22.128 16.108 -17.627 1.00 74.32 H new ATOM 0 HG11 VAL A 55 20.476 17.881 -17.091 1.00 11.35 H new ATOM 0 HG12 VAL A 55 22.147 18.492 -17.034 1.00 11.35 H new ATOM 0 HG13 VAL A 55 21.111 18.861 -18.434 1.00 11.35 H new ATOM 0 HG21 VAL A 55 19.865 16.048 -18.581 1.00 3.21 H new ATOM 0 HG22 VAL A 55 20.446 16.951 -20.000 1.00 3.21 H new ATOM 0 HG23 VAL A 55 21.071 15.318 -19.667 1.00 3.21 H new ATOM 815 N GLU A 56 23.115 15.487 -20.985 1.00 10.40 N ATOM 816 CA GLU A 56 23.512 14.252 -21.648 1.00 61.52 C ATOM 817 C GLU A 56 24.905 14.368 -22.256 1.00 34.54 C ATOM 818 O GLU A 56 25.636 13.381 -22.346 1.00 73.34 O ATOM 819 CB GLU A 56 22.478 13.884 -22.709 1.00 74.35 C ATOM 820 CG GLU A 56 21.086 13.686 -22.125 1.00 71.41 C ATOM 821 CD GLU A 56 20.980 12.452 -21.253 1.00 3.14 C ATOM 822 OE1 GLU A 56 21.536 12.458 -20.137 1.00 13.14 O ATOM 823 OE2 GLU A 56 20.321 11.477 -21.671 1.00 12.33 O ATOM 0 H GLU A 56 22.398 16.017 -21.481 1.00 10.40 H new ATOM 0 HA GLU A 56 23.554 13.457 -20.904 1.00 61.52 H new ATOM 0 HB2 GLU A 56 22.443 14.669 -23.465 1.00 74.35 H new ATOM 0 HB3 GLU A 56 22.790 12.970 -23.214 1.00 74.35 H new ATOM 0 HG2 GLU A 56 20.816 14.564 -21.537 1.00 71.41 H new ATOM 0 HG3 GLU A 56 20.364 13.613 -22.938 1.00 71.41 H new ATOM 830 N LYS A 57 25.273 15.578 -22.672 1.00 70.11 N ATOM 831 CA LYS A 57 26.612 15.831 -23.201 1.00 60.22 C ATOM 832 C LYS A 57 27.670 15.716 -22.110 1.00 10.13 C ATOM 833 O LYS A 57 28.837 15.442 -22.389 1.00 34.22 O ATOM 834 CB LYS A 57 26.698 17.218 -23.844 1.00 64.25 C ATOM 835 CG LYS A 57 26.254 17.266 -25.297 1.00 75.40 C ATOM 836 CD LYS A 57 26.419 18.670 -25.871 1.00 11.15 C ATOM 837 CE LYS A 57 26.497 18.669 -27.391 1.00 5.52 C ATOM 838 NZ LYS A 57 25.299 18.059 -28.028 1.00 33.13 N ATOM 0 H LYS A 57 24.665 16.397 -22.653 1.00 70.11 H new ATOM 0 HA LYS A 57 26.803 15.072 -23.960 1.00 60.22 H new ATOM 0 HB2 LYS A 57 26.086 17.911 -23.267 1.00 64.25 H new ATOM 0 HB3 LYS A 57 27.727 17.572 -23.779 1.00 64.25 H new ATOM 0 HG2 LYS A 57 26.839 16.558 -25.884 1.00 75.40 H new ATOM 0 HG3 LYS A 57 25.211 16.958 -25.373 1.00 75.40 H new ATOM 0 HD2 LYS A 57 25.581 19.290 -25.553 1.00 11.15 H new ATOM 0 HD3 LYS A 57 27.323 19.122 -25.464 1.00 11.15 H new ATOM 0 HE2 LYS A 57 26.610 19.694 -27.745 1.00 5.52 H new ATOM 0 HE3 LYS A 57 27.387 18.124 -27.704 1.00 5.52 H new ATOM 0 HZ1 LYS A 57 25.015 18.629 -28.850 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 25.525 17.092 -28.338 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 24.518 18.028 -27.341 1.00 33.13 H new ATOM 852 N ASN A 58 27.267 15.938 -20.869 1.00 5.40 N ATOM 853 CA ASN A 58 28.197 15.874 -19.749 1.00 62.23 C ATOM 854 C ASN A 58 28.214 14.481 -19.134 1.00 64.30 C ATOM 855 O ASN A 58 29.284 13.966 -18.793 1.00 2.42 O ATOM 856 CB ASN A 58 27.848 16.922 -18.690 1.00 60.13 C ATOM 857 CG ASN A 58 28.271 18.321 -19.099 1.00 21.12 C ATOM 858 OD1 ASN A 58 29.378 18.758 -18.803 1.00 45.43 O ATOM 859 ND2 ASN A 58 27.392 19.039 -19.778 1.00 73.12 N ATOM 0 H ASN A 58 26.306 16.163 -20.611 1.00 5.40 H new ATOM 0 HA ASN A 58 29.195 16.091 -20.131 1.00 62.23 H new ATOM 0 HB2 ASN A 58 26.773 16.908 -18.510 1.00 60.13 H new ATOM 0 HB3 ASN A 58 28.332 16.659 -17.749 1.00 60.13 H new ATOM 0 HD21 ASN A 58 27.626 19.987 -20.072 1.00 73.12 H new ATOM 0 HD22 ASN A 58 26.480 18.645 -20.008 1.00 73.12 H new ATOM 866 N TRP A 59 27.023 13.891 -18.988 1.00 74.44 N ATOM 867 CA TRP A 59 26.851 12.516 -18.498 1.00 50.11 C ATOM 868 C TRP A 59 27.110 12.401 -16.992 1.00 20.21 C ATOM 869 O TRP A 59 26.321 11.798 -16.265 1.00 31.04 O ATOM 870 CB TRP A 59 27.755 11.544 -19.276 1.00 2.31 C ATOM 871 CG TRP A 59 27.613 10.115 -18.845 1.00 72.22 C ATOM 872 CD1 TRP A 59 26.645 9.236 -19.235 1.00 32.41 C ATOM 873 CD2 TRP A 59 28.468 9.400 -17.944 1.00 42.01 C ATOM 874 NE1 TRP A 59 26.841 8.020 -18.626 1.00 45.01 N ATOM 875 CE2 TRP A 59 27.955 8.095 -17.831 1.00 71.53 C ATOM 876 CE3 TRP A 59 29.616 9.738 -17.222 1.00 43.25 C ATOM 877 CZ2 TRP A 59 28.552 7.127 -17.023 1.00 24.34 C ATOM 878 CZ3 TRP A 59 30.206 8.779 -16.422 1.00 73.44 C ATOM 879 CH2 TRP A 59 29.674 7.488 -16.326 1.00 44.54 C ATOM 0 H TRP A 59 26.143 14.357 -19.208 1.00 74.44 H new ATOM 0 HA TRP A 59 25.810 12.243 -18.669 1.00 50.11 H new ATOM 0 HB2 TRP A 59 27.524 11.619 -20.339 1.00 2.31 H new ATOM 0 HB3 TRP A 59 28.794 11.850 -19.153 1.00 2.31 H new ATOM 0 HD1 TRP A 59 25.843 9.463 -19.921 1.00 32.41 H new ATOM 0 HE1 TRP A 59 26.253 7.195 -18.746 1.00 45.01 H new ATOM 0 HE3 TRP A 59 30.034 10.731 -17.288 1.00 43.25 H new ATOM 0 HZ2 TRP A 59 28.144 6.130 -16.950 1.00 24.34 H new ATOM 0 HZ3 TRP A 59 31.094 9.030 -15.860 1.00 73.44 H new ATOM 0 HH2 TRP A 59 30.158 6.762 -15.690 1.00 44.54 H new ATOM 890 N THR A 60 28.214 12.971 -16.534 1.00 25.34 N ATOM 891 CA THR A 60 28.593 12.882 -15.134 1.00 53.12 C ATOM 892 C THR A 60 27.717 13.784 -14.267 1.00 52.32 C ATOM 893 O THR A 60 27.258 14.839 -14.710 1.00 3.14 O ATOM 894 CB THR A 60 30.084 13.235 -14.927 1.00 72.14 C ATOM 895 OG1 THR A 60 30.455 13.014 -13.561 1.00 12.01 O ATOM 896 CG2 THR A 60 30.372 14.682 -15.315 1.00 24.55 C ATOM 0 H THR A 60 28.864 13.501 -17.114 1.00 25.34 H new ATOM 0 HA THR A 60 28.440 11.848 -14.826 1.00 53.12 H new ATOM 0 HB THR A 60 30.675 12.587 -15.574 1.00 72.14 H new ATOM 0 HG1 THR A 60 31.401 13.238 -13.439 1.00 12.01 H new ATOM 0 HG21 THR A 60 31.429 14.897 -15.157 1.00 24.55 H new ATOM 0 HG22 THR A 60 30.123 14.833 -16.365 1.00 24.55 H new ATOM 0 HG23 THR A 60 29.770 15.350 -14.700 1.00 24.55 H new ATOM 904 N ASP A 61 27.494 13.353 -13.031 1.00 33.13 N ATOM 905 CA ASP A 61 26.620 14.061 -12.100 1.00 24.12 C ATOM 906 C ASP A 61 27.285 15.330 -11.579 1.00 25.15 C ATOM 907 O ASP A 61 26.616 16.299 -11.216 1.00 35.34 O ATOM 908 CB ASP A 61 26.273 13.165 -10.908 1.00 2.25 C ATOM 909 CG ASP A 61 25.871 11.762 -11.314 1.00 11.43 C ATOM 910 OD1 ASP A 61 24.706 11.556 -11.697 1.00 4.15 O ATOM 911 OD2 ASP A 61 26.722 10.850 -11.226 1.00 12.31 O ATOM 0 H ASP A 61 27.912 12.506 -12.646 1.00 33.13 H new ATOM 0 HA ASP A 61 25.713 14.328 -12.642 1.00 24.12 H new ATOM 0 HB2 ASP A 61 27.133 13.111 -10.240 1.00 2.25 H new ATOM 0 HB3 ASP A 61 25.459 13.621 -10.344 1.00 2.25 H new ATOM 916 N LEU A 62 28.607 15.318 -11.533 1.00 21.55 N ATOM 917 CA LEU A 62 29.350 16.431 -10.974 1.00 3.00 C ATOM 918 C LEU A 62 30.022 17.235 -12.074 1.00 51.34 C ATOM 919 O LEU A 62 30.980 16.780 -12.700 1.00 51.51 O ATOM 920 CB LEU A 62 30.391 15.930 -9.969 1.00 71.54 C ATOM 921 CG LEU A 62 31.156 17.025 -9.223 1.00 32.22 C ATOM 922 CD1 LEU A 62 30.199 17.897 -8.425 1.00 31.24 C ATOM 923 CD2 LEU A 62 32.205 16.406 -8.313 1.00 22.21 C ATOM 0 H LEU A 62 29.185 14.551 -11.876 1.00 21.55 H new ATOM 0 HA LEU A 62 28.648 17.082 -10.452 1.00 3.00 H new ATOM 0 HB2 LEU A 62 29.890 15.296 -9.237 1.00 71.54 H new ATOM 0 HB3 LEU A 62 31.109 15.302 -10.497 1.00 71.54 H new ATOM 0 HG LEU A 62 31.661 17.657 -9.954 1.00 32.22 H new ATOM 0 HD11 LEU A 62 30.762 18.670 -7.901 1.00 31.24 H new ATOM 0 HD12 LEU A 62 29.483 18.364 -9.101 1.00 31.24 H new ATOM 0 HD13 LEU A 62 29.665 17.282 -7.700 1.00 31.24 H new ATOM 0 HD21 LEU A 62 32.743 17.195 -7.788 1.00 22.21 H new ATOM 0 HD22 LEU A 62 31.718 15.754 -7.588 1.00 22.21 H new ATOM 0 HD23 LEU A 62 32.907 15.824 -8.910 1.00 22.21 H new ATOM 935 N ARG A 63 29.497 18.424 -12.319 1.00 42.45 N ATOM 936 CA ARG A 63 30.089 19.330 -13.284 1.00 32.00 C ATOM 937 C ARG A 63 30.311 20.691 -12.638 1.00 0.32 C ATOM 938 O ARG A 63 29.380 21.489 -12.507 1.00 73.24 O ATOM 939 CB ARG A 63 29.198 19.459 -14.522 1.00 41.05 C ATOM 940 CG ARG A 63 29.907 20.068 -15.721 1.00 42.42 C ATOM 941 CD ARG A 63 31.146 19.264 -16.083 1.00 14.22 C ATOM 942 NE ARG A 63 31.710 19.657 -17.372 1.00 25.55 N ATOM 943 CZ ARG A 63 32.672 18.974 -17.991 1.00 25.12 C ATOM 944 NH1 ARG A 63 33.226 17.924 -17.395 1.00 1.23 N ATOM 945 NH2 ARG A 63 33.085 19.336 -19.198 1.00 53.21 N ATOM 0 H ARG A 63 28.660 18.783 -11.861 1.00 42.45 H new ATOM 0 HA ARG A 63 31.050 18.928 -13.604 1.00 32.00 H new ATOM 0 HB2 ARG A 63 28.824 18.472 -14.794 1.00 41.05 H new ATOM 0 HB3 ARG A 63 28.331 20.071 -14.273 1.00 41.05 H new ATOM 0 HG2 ARG A 63 29.228 20.100 -16.573 1.00 42.42 H new ATOM 0 HG3 ARG A 63 30.188 21.097 -15.498 1.00 42.42 H new ATOM 0 HD2 ARG A 63 31.899 19.393 -15.306 1.00 14.22 H new ATOM 0 HD3 ARG A 63 30.893 18.204 -16.109 1.00 14.22 H new ATOM 0 HE ARG A 63 31.348 20.498 -17.822 1.00 25.55 H new ATOM 0 HH11 ARG A 63 32.915 17.642 -16.465 1.00 1.23 H new ATOM 0 HH12 ARG A 63 33.963 17.400 -17.867 1.00 1.23 H new ATOM 0 HH21 ARG A 63 32.666 20.143 -19.660 1.00 53.21 H new ATOM 0 HH22 ARG A 63 33.822 18.807 -19.665 1.00 53.21 H new ATOM 959 N PRO A 64 31.547 20.957 -12.197 1.00 42.03 N ATOM 960 CA PRO A 64 31.889 22.188 -11.490 1.00 50.30 C ATOM 961 C PRO A 64 31.842 23.411 -12.398 1.00 15.45 C ATOM 962 O PRO A 64 32.564 23.491 -13.389 1.00 33.12 O ATOM 963 CB PRO A 64 33.323 21.951 -10.992 1.00 33.03 C ATOM 964 CG PRO A 64 33.595 20.502 -11.214 1.00 44.51 C ATOM 965 CD PRO A 64 32.709 20.078 -12.350 1.00 5.45 C ATOM 0 HA PRO A 64 31.180 22.395 -10.688 1.00 50.30 H new ATOM 0 HB2 PRO A 64 34.034 22.571 -11.538 1.00 33.03 H new ATOM 0 HB3 PRO A 64 33.419 22.210 -9.938 1.00 33.03 H new ATOM 0 HG2 PRO A 64 34.645 20.336 -11.456 1.00 44.51 H new ATOM 0 HG3 PRO A 64 33.380 19.924 -10.316 1.00 44.51 H new ATOM 0 HD2 PRO A 64 33.196 20.214 -13.316 1.00 5.45 H new ATOM 0 HD3 PRO A 64 32.433 19.026 -12.278 1.00 5.45 H new ATOM 973 N LYS A 65 30.977 24.356 -12.056 1.00 63.55 N ATOM 974 CA LYS A 65 30.895 25.612 -12.784 1.00 13.53 C ATOM 975 C LYS A 65 31.225 26.778 -11.862 1.00 63.33 C ATOM 976 O LYS A 65 30.342 27.363 -11.234 1.00 73.10 O ATOM 977 CB LYS A 65 29.508 25.807 -13.399 1.00 62.35 C ATOM 978 CG LYS A 65 29.193 24.846 -14.532 1.00 44.04 C ATOM 979 CD LYS A 65 27.905 25.231 -15.233 1.00 24.10 C ATOM 980 CE LYS A 65 27.664 24.378 -16.468 1.00 53.25 C ATOM 981 NZ LYS A 65 28.810 24.425 -17.418 1.00 31.21 N ATOM 0 H LYS A 65 30.322 24.275 -11.278 1.00 63.55 H new ATOM 0 HA LYS A 65 31.624 25.578 -13.594 1.00 13.53 H new ATOM 0 HB2 LYS A 65 28.756 25.691 -12.618 1.00 62.35 H new ATOM 0 HB3 LYS A 65 29.427 26.829 -13.770 1.00 62.35 H new ATOM 0 HG2 LYS A 65 30.014 24.843 -15.249 1.00 44.04 H new ATOM 0 HG3 LYS A 65 29.108 23.832 -14.140 1.00 44.04 H new ATOM 0 HD2 LYS A 65 27.068 25.120 -14.544 1.00 24.10 H new ATOM 0 HD3 LYS A 65 27.945 26.282 -15.518 1.00 24.10 H new ATOM 0 HE2 LYS A 65 27.487 23.346 -16.165 1.00 53.25 H new ATOM 0 HE3 LYS A 65 26.761 24.721 -16.973 1.00 53.25 H new ATOM 0 HZ1 LYS A 65 28.452 24.414 -18.394 1.00 31.21 H new ATOM 0 HZ2 LYS A 65 29.357 25.295 -17.259 1.00 31.21 H new ATOM 0 HZ3 LYS A 65 29.422 23.598 -17.265 1.00 31.21 H new ATOM 995 N SER A 66 32.503 27.091 -11.762 1.00 23.25 N ATOM 996 CA SER A 66 32.953 28.177 -10.913 1.00 12.53 C ATOM 997 C SER A 66 33.389 29.363 -11.764 1.00 33.45 C ATOM 998 O SER A 66 34.491 29.378 -12.317 1.00 53.54 O ATOM 999 CB SER A 66 34.097 27.699 -10.018 1.00 3.34 C ATOM 1000 OG SER A 66 33.712 26.546 -9.285 1.00 43.50 O ATOM 0 H SER A 66 33.250 26.607 -12.260 1.00 23.25 H new ATOM 0 HA SER A 66 32.129 28.499 -10.277 1.00 12.53 H new ATOM 0 HB2 SER A 66 34.972 27.473 -10.627 1.00 3.34 H new ATOM 0 HB3 SER A 66 34.384 28.494 -9.330 1.00 3.34 H new ATOM 0 HG SER A 66 34.457 26.254 -8.720 1.00 43.50 H new ATOM 1006 N LEU A 67 32.507 30.339 -11.896 1.00 44.51 N ATOM 1007 CA LEU A 67 32.788 31.514 -12.700 1.00 12.45 C ATOM 1008 C LEU A 67 32.315 32.762 -11.965 1.00 63.32 C ATOM 1009 O LEU A 67 33.103 33.666 -11.683 1.00 55.43 O ATOM 1010 CB LEU A 67 32.100 31.381 -14.069 1.00 61.34 C ATOM 1011 CG LEU A 67 32.659 32.261 -15.201 1.00 40.13 C ATOM 1012 CD1 LEU A 67 32.332 33.730 -14.979 1.00 43.43 C ATOM 1013 CD2 LEU A 67 34.164 32.071 -15.331 1.00 40.31 C ATOM 0 H LEU A 67 31.587 30.340 -11.455 1.00 44.51 H new ATOM 0 HA LEU A 67 33.862 31.601 -12.865 1.00 12.45 H new ATOM 0 HB2 LEU A 67 32.162 30.339 -14.383 1.00 61.34 H new ATOM 0 HB3 LEU A 67 31.043 31.614 -13.945 1.00 61.34 H new ATOM 0 HG LEU A 67 32.181 31.947 -16.129 1.00 40.13 H new ATOM 0 HD11 LEU A 67 32.742 34.322 -15.797 1.00 43.43 H new ATOM 0 HD12 LEU A 67 31.250 33.861 -14.943 1.00 43.43 H new ATOM 0 HD13 LEU A 67 32.769 34.062 -14.037 1.00 43.43 H new ATOM 0 HD21 LEU A 67 34.542 32.701 -16.136 1.00 40.31 H new ATOM 0 HD22 LEU A 67 34.648 32.349 -14.395 1.00 40.31 H new ATOM 0 HD23 LEU A 67 34.381 31.027 -15.555 1.00 40.31 H new ATOM 1025 N ARG A 68 31.026 32.790 -11.644 1.00 14.23 N ATOM 1026 CA ARG A 68 30.432 33.917 -10.941 1.00 22.22 C ATOM 1027 C ARG A 68 29.137 33.480 -10.268 1.00 73.40 C ATOM 1028 O ARG A 68 28.054 33.580 -10.851 1.00 12.31 O ATOM 1029 CB ARG A 68 30.159 35.073 -11.910 1.00 54.24 C ATOM 1030 CG ARG A 68 29.813 36.390 -11.227 1.00 45.11 C ATOM 1031 CD ARG A 68 30.958 36.875 -10.348 1.00 35.31 C ATOM 1032 NE ARG A 68 32.229 36.888 -11.070 1.00 31.44 N ATOM 1033 CZ ARG A 68 33.420 36.770 -10.487 1.00 50.02 C ATOM 1034 NH1 ARG A 68 33.528 36.745 -9.164 1.00 73.03 N ATOM 1035 NH2 ARG A 68 34.512 36.701 -11.232 1.00 42.20 N ATOM 0 H ARG A 68 30.371 32.039 -11.862 1.00 14.23 H new ATOM 0 HA ARG A 68 31.132 34.264 -10.181 1.00 22.22 H new ATOM 0 HB2 ARG A 68 31.038 35.222 -12.538 1.00 54.24 H new ATOM 0 HB3 ARG A 68 29.339 34.793 -12.571 1.00 54.24 H new ATOM 0 HG2 ARG A 68 29.586 37.144 -11.980 1.00 45.11 H new ATOM 0 HG3 ARG A 68 28.915 36.263 -10.622 1.00 45.11 H new ATOM 0 HD2 ARG A 68 30.737 37.878 -9.984 1.00 35.31 H new ATOM 0 HD3 ARG A 68 31.043 36.230 -9.474 1.00 35.31 H new ATOM 0 HE ARG A 68 32.202 36.994 -12.084 1.00 31.44 H new ATOM 0 HH11 ARG A 68 32.693 36.817 -8.583 1.00 73.03 H new ATOM 0 HH12 ARG A 68 34.446 36.654 -8.729 1.00 73.03 H new ATOM 0 HH21 ARG A 68 34.439 36.738 -12.249 1.00 42.20 H new ATOM 0 HH22 ARG A 68 35.426 36.611 -10.789 1.00 42.20 H new ATOM 1049 N ASP A 69 29.254 32.965 -9.058 1.00 43.42 N ATOM 1050 CA ASP A 69 28.097 32.489 -8.317 1.00 35.03 C ATOM 1051 C ASP A 69 27.752 33.484 -7.223 1.00 44.35 C ATOM 1052 O ASP A 69 28.395 33.515 -6.169 1.00 24.24 O ATOM 1053 CB ASP A 69 28.369 31.109 -7.712 1.00 15.24 C ATOM 1054 CG ASP A 69 27.104 30.412 -7.243 1.00 5.01 C ATOM 1055 OD1 ASP A 69 26.508 30.845 -6.235 1.00 2.22 O ATOM 1056 OD2 ASP A 69 26.704 29.418 -7.879 1.00 51.34 O ATOM 0 H ASP A 69 30.141 32.865 -8.565 1.00 43.42 H new ATOM 0 HA ASP A 69 27.254 32.397 -9.002 1.00 35.03 H new ATOM 0 HB2 ASP A 69 28.869 30.485 -8.453 1.00 15.24 H new ATOM 0 HB3 ASP A 69 29.053 31.215 -6.870 1.00 15.24 H new ATOM 1061 N ALA A 70 26.764 34.321 -7.492 1.00 31.34 N ATOM 1062 CA ALA A 70 26.352 35.349 -6.555 1.00 34.42 C ATOM 1063 C ALA A 70 24.910 35.754 -6.821 1.00 3.43 C ATOM 1064 O ALA A 70 24.315 35.328 -7.810 1.00 31.54 O ATOM 1065 CB ALA A 70 27.266 36.561 -6.669 1.00 74.14 C ATOM 0 H ALA A 70 26.229 34.307 -8.360 1.00 31.34 H new ATOM 0 HA ALA A 70 26.424 34.949 -5.543 1.00 34.42 H new ATOM 0 HB1 ALA A 70 26.947 37.326 -5.961 1.00 74.14 H new ATOM 0 HB2 ALA A 70 28.291 36.266 -6.446 1.00 74.14 H new ATOM 0 HB3 ALA A 70 27.216 36.961 -7.682 1.00 74.14 H new ATOM 1071 N MET A 71 24.356 36.577 -5.948 1.00 45.13 N ATOM 1072 CA MET A 71 22.990 37.046 -6.112 1.00 4.24 C ATOM 1073 C MET A 71 22.969 38.264 -7.023 1.00 23.21 C ATOM 1074 O MET A 71 23.373 39.358 -6.623 1.00 22.34 O ATOM 1075 CB MET A 71 22.369 37.383 -4.754 1.00 35.40 C ATOM 1076 CG MET A 71 22.265 36.187 -3.817 1.00 23.12 C ATOM 1077 SD MET A 71 21.556 36.610 -2.214 1.00 51.33 S ATOM 1078 CE MET A 71 22.793 37.735 -1.567 1.00 40.34 C ATOM 0 H MET A 71 24.830 36.935 -5.119 1.00 45.13 H new ATOM 0 HA MET A 71 22.398 36.252 -6.568 1.00 4.24 H new ATOM 0 HB2 MET A 71 22.965 38.159 -4.274 1.00 35.40 H new ATOM 0 HB3 MET A 71 21.373 37.798 -4.912 1.00 35.40 H new ATOM 0 HG2 MET A 71 21.654 35.416 -4.287 1.00 23.12 H new ATOM 0 HG3 MET A 71 23.257 35.761 -3.669 1.00 23.12 H new ATOM 0 HE1 MET A 71 22.681 37.816 -0.486 1.00 40.34 H new ATOM 0 HE2 MET A 71 23.788 37.356 -1.802 1.00 40.34 H new ATOM 0 HE3 MET A 71 22.663 38.718 -2.019 1.00 40.34 H new ATOM 1088 N VAL A 72 22.535 38.058 -8.258 1.00 63.22 N ATOM 1089 CA VAL A 72 22.486 39.130 -9.240 1.00 20.35 C ATOM 1090 C VAL A 72 21.297 40.042 -8.965 1.00 74.04 C ATOM 1091 O VAL A 72 21.453 41.252 -8.802 1.00 55.44 O ATOM 1092 CB VAL A 72 22.394 38.582 -10.679 1.00 25.34 C ATOM 1093 CG1 VAL A 72 22.373 39.718 -11.690 1.00 15.15 C ATOM 1094 CG2 VAL A 72 23.547 37.629 -10.960 1.00 1.10 C ATOM 0 H VAL A 72 22.211 37.155 -8.604 1.00 63.22 H new ATOM 0 HA VAL A 72 23.413 39.697 -9.151 1.00 20.35 H new ATOM 0 HB VAL A 72 21.460 38.029 -10.776 1.00 25.34 H new ATOM 0 HG11 VAL A 72 22.308 39.307 -12.698 1.00 15.15 H new ATOM 0 HG12 VAL A 72 21.510 40.357 -11.502 1.00 15.15 H new ATOM 0 HG13 VAL A 72 23.286 40.306 -11.596 1.00 15.15 H new ATOM 0 HG21 VAL A 72 23.467 37.252 -11.979 1.00 1.10 H new ATOM 0 HG22 VAL A 72 24.493 38.158 -10.842 1.00 1.10 H new ATOM 0 HG23 VAL A 72 23.508 36.794 -10.260 1.00 1.10 H new ATOM 1104 N GLU A 73 20.110 39.456 -8.907 1.00 42.10 N ATOM 1105 CA GLU A 73 18.910 40.212 -8.593 1.00 31.53 C ATOM 1106 C GLU A 73 18.536 40.028 -7.134 1.00 63.01 C ATOM 1107 O GLU A 73 18.502 38.905 -6.631 1.00 71.10 O ATOM 1108 CB GLU A 73 17.737 39.777 -9.471 1.00 14.44 C ATOM 1109 CG GLU A 73 17.933 40.054 -10.949 1.00 61.51 C ATOM 1110 CD GLU A 73 16.689 39.742 -11.752 1.00 54.52 C ATOM 1111 OE1 GLU A 73 15.782 40.598 -11.800 1.00 45.14 O ATOM 1112 OE2 GLU A 73 16.606 38.640 -12.332 1.00 71.22 O ATOM 0 H GLU A 73 19.954 38.462 -9.073 1.00 42.10 H new ATOM 0 HA GLU A 73 19.123 41.263 -8.787 1.00 31.53 H new ATOM 0 HB2 GLU A 73 17.569 38.709 -9.332 1.00 14.44 H new ATOM 0 HB3 GLU A 73 16.835 40.288 -9.133 1.00 14.44 H new ATOM 0 HG2 GLU A 73 18.203 41.101 -11.089 1.00 61.51 H new ATOM 0 HG3 GLU A 73 18.765 39.458 -11.323 1.00 61.51 H new ATOM 1119 N ASP A 74 18.270 41.132 -6.454 1.00 54.20 N ATOM 1120 CA ASP A 74 17.804 41.085 -5.080 1.00 62.35 C ATOM 1121 C ASP A 74 16.309 41.329 -5.042 1.00 53.00 C ATOM 1122 O ASP A 74 15.560 40.375 -4.761 1.00 23.45 O ATOM 1123 CB ASP A 74 18.522 42.116 -4.206 1.00 30.50 C ATOM 1124 CG ASP A 74 19.976 41.775 -3.983 1.00 30.14 C ATOM 1125 OD1 ASP A 74 20.263 40.883 -3.155 1.00 23.10 O ATOM 1126 OD2 ASP A 74 20.841 42.405 -4.629 1.00 50.44 O ATOM 1127 OXT ASP A 74 15.889 42.469 -5.332 1.00 0.00 O ATOM 0 H ASP A 74 18.370 42.073 -6.834 1.00 54.20 H new ATOM 0 HA ASP A 74 18.028 40.096 -4.680 1.00 62.35 H new ATOM 0 HB2 ASP A 74 18.450 43.097 -4.675 1.00 30.50 H new ATOM 0 HB3 ASP A 74 18.017 42.185 -3.243 1.00 30.50 H new TER 1132 ASP A 74