USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 806 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 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -147:sc= 1.14 (180deg=0) USER MOD Set 2.2: A 42 GLN : amide:sc= -2.89 K(o=-1.8,f=-8.2!) USER MOD Set 3.1: A 17 SER OG : rot 56:sc= 1.86 USER MOD Set 3.2: A 28 SER OG : rot -86:sc= 1.08 USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0965 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -20:sc= 1.16 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -92:sc= 1.15 USER MOD Single : A 19 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 23 SER OG : rot -75:sc= 1.06 USER MOD Single : A 25 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.64) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 174:sc= -0.226 USER MOD Single : A 36 SER OG : rot 180:sc= 0.072 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= 0.336 (180deg=0.0549) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.09 K(o=-2.1,f=-3.1) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 1 (180deg=0.393!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.14) USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 0.512 (180deg=0.448) USER MOD Single : A 69 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.6) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -44:sc= 0.037 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.446 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 74:sc= -0.328 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= -0.539 (180deg=-0.727) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.788 0.542 -0.417 1.00 34.14 N ATOM 2 CA ALA A 1 2.508 0.292 -1.659 1.00 52.20 C ATOM 3 C ALA A 1 3.370 -0.961 -1.552 1.00 34.23 C ATOM 4 O ALA A 1 3.702 -1.405 -0.452 1.00 53.11 O ATOM 5 CB ALA A 1 3.366 1.495 -2.023 1.00 15.22 C ATOM 0 H1 ALA A 1 1.858 1.550 -0.172 1.00 34.14 H new ATOM 0 H2 ALA A 1 0.788 0.284 -0.538 1.00 34.14 H new ATOM 0 H3 ALA A 1 2.203 -0.029 0.346 1.00 34.14 H new ATOM 0 HA ALA A 1 1.774 0.130 -2.449 1.00 52.20 H new ATOM 0 HB1 ALA A 1 3.898 1.294 -2.953 1.00 15.22 H new ATOM 0 HB2 ALA A 1 2.729 2.371 -2.151 1.00 15.22 H new ATOM 0 HB3 ALA A 1 4.086 1.683 -1.226 1.00 15.22 H new ATOM 11 N ILE A 2 3.728 -1.528 -2.699 1.00 55.51 N ATOM 12 CA ILE A 2 4.551 -2.730 -2.733 1.00 11.21 C ATOM 13 C ILE A 2 5.903 -2.452 -3.381 1.00 70.02 C ATOM 14 O ILE A 2 6.891 -3.131 -3.099 1.00 40.12 O ATOM 15 CB ILE A 2 3.852 -3.869 -3.498 1.00 21.54 C ATOM 16 CG1 ILE A 2 4.718 -5.131 -3.481 1.00 5.52 C ATOM 17 CG2 ILE A 2 3.555 -3.443 -4.928 1.00 32.55 C ATOM 18 CD1 ILE A 2 4.947 -5.688 -2.093 1.00 74.44 C ATOM 0 H ILE A 2 3.461 -1.174 -3.617 1.00 55.51 H new ATOM 0 HA ILE A 2 4.703 -3.038 -1.699 1.00 11.21 H new ATOM 0 HB ILE A 2 2.907 -4.093 -3.003 1.00 21.54 H new ATOM 0 HG12 ILE A 2 4.244 -5.895 -4.097 1.00 5.52 H new ATOM 0 HG13 ILE A 2 5.682 -4.907 -3.937 1.00 5.52 H new ATOM 0 HG21 ILE A 2 3.061 -4.259 -5.456 1.00 32.55 H new ATOM 0 HG22 ILE A 2 2.903 -2.569 -4.919 1.00 32.55 H new ATOM 0 HG23 ILE A 2 4.488 -3.195 -5.435 1.00 32.55 H new ATOM 0 HD11 ILE A 2 5.568 -6.581 -2.157 1.00 74.44 H new ATOM 0 HD12 ILE A 2 5.449 -4.940 -1.479 1.00 74.44 H new ATOM 0 HD13 ILE A 2 3.989 -5.944 -1.641 1.00 74.44 H new ATOM 30 N THR A 3 5.941 -1.447 -4.251 1.00 71.41 N ATOM 31 CA THR A 3 7.171 -1.078 -4.939 1.00 64.44 C ATOM 32 C THR A 3 8.297 -0.809 -3.947 1.00 52.11 C ATOM 33 O THR A 3 9.475 -0.953 -4.276 1.00 14.05 O ATOM 34 CB THR A 3 6.970 0.169 -5.821 1.00 31.42 C ATOM 35 OG1 THR A 3 6.566 1.280 -5.013 1.00 24.33 O ATOM 36 CG2 THR A 3 5.923 -0.091 -6.894 1.00 45.22 C ATOM 0 H THR A 3 5.133 -0.874 -4.495 1.00 71.41 H new ATOM 0 HA THR A 3 7.443 -1.922 -5.573 1.00 64.44 H new ATOM 0 HB THR A 3 7.918 0.400 -6.308 1.00 31.42 H new ATOM 0 HG1 THR A 3 6.442 2.069 -5.581 1.00 24.33 H new ATOM 0 HG21 THR A 3 5.798 0.803 -7.505 1.00 45.22 H new ATOM 0 HG22 THR A 3 6.246 -0.919 -7.525 1.00 45.22 H new ATOM 0 HG23 THR A 3 4.974 -0.344 -6.422 1.00 45.22 H new ATOM 44 N ASP A 4 7.927 -0.418 -2.733 1.00 2.24 N ATOM 45 CA ASP A 4 8.906 -0.130 -1.691 1.00 44.31 C ATOM 46 C ASP A 4 9.779 -1.350 -1.413 1.00 40.32 C ATOM 47 O ASP A 4 10.888 -1.226 -0.892 1.00 34.04 O ATOM 48 CB ASP A 4 8.202 0.312 -0.407 1.00 41.13 C ATOM 49 CG ASP A 4 7.837 1.783 -0.424 1.00 52.43 C ATOM 50 OD1 ASP A 4 7.282 2.245 -1.443 1.00 60.23 O ATOM 51 OD2 ASP A 4 8.106 2.474 0.581 1.00 25.32 O ATOM 0 H ASP A 4 6.956 -0.293 -2.446 1.00 2.24 H new ATOM 0 HA ASP A 4 9.546 0.680 -2.042 1.00 44.31 H new ATOM 0 HB2 ASP A 4 7.299 -0.282 -0.269 1.00 41.13 H new ATOM 0 HB3 ASP A 4 8.849 0.111 0.447 1.00 41.13 H new ATOM 56 N ILE A 5 9.271 -2.526 -1.764 1.00 30.32 N ATOM 57 CA ILE A 5 10.004 -3.768 -1.552 1.00 23.10 C ATOM 58 C ILE A 5 10.290 -4.470 -2.875 1.00 65.11 C ATOM 59 O ILE A 5 11.419 -4.887 -3.138 1.00 23.32 O ATOM 60 CB ILE A 5 9.230 -4.729 -0.631 1.00 33.21 C ATOM 61 CG1 ILE A 5 8.360 -3.940 0.350 1.00 20.31 C ATOM 62 CG2 ILE A 5 10.194 -5.636 0.119 1.00 72.42 C ATOM 63 CD1 ILE A 5 7.632 -4.813 1.349 1.00 51.45 C ATOM 0 H ILE A 5 8.355 -2.645 -2.196 1.00 30.32 H new ATOM 0 HA ILE A 5 10.946 -3.500 -1.074 1.00 23.10 H new ATOM 0 HB ILE A 5 8.579 -5.352 -1.245 1.00 33.21 H new ATOM 0 HG12 ILE A 5 8.987 -3.230 0.889 1.00 20.31 H new ATOM 0 HG13 ILE A 5 7.630 -3.358 -0.212 1.00 20.31 H new ATOM 0 HG21 ILE A 5 9.631 -6.309 0.766 1.00 72.42 H new ATOM 0 HG22 ILE A 5 10.775 -6.220 -0.595 1.00 72.42 H new ATOM 0 HG23 ILE A 5 10.868 -5.030 0.725 1.00 72.42 H new ATOM 0 HD11 ILE A 5 7.035 -4.187 2.012 1.00 51.45 H new ATOM 0 HD12 ILE A 5 6.979 -5.506 0.819 1.00 51.45 H new ATOM 0 HD13 ILE A 5 8.357 -5.376 1.937 1.00 51.45 H new ATOM 75 N LEU A 6 9.262 -4.596 -3.706 1.00 52.22 N ATOM 76 CA LEU A 6 9.402 -5.246 -5.005 1.00 4.33 C ATOM 77 C LEU A 6 9.635 -4.217 -6.106 1.00 43.33 C ATOM 78 O LEU A 6 9.712 -3.017 -5.843 1.00 2.14 O ATOM 79 CB LEU A 6 8.156 -6.074 -5.320 1.00 54.01 C ATOM 80 CG LEU A 6 8.213 -7.550 -4.925 1.00 14.03 C ATOM 81 CD1 LEU A 6 8.895 -7.715 -3.575 1.00 73.15 C ATOM 82 CD2 LEU A 6 6.814 -8.148 -4.894 1.00 72.30 C ATOM 0 H LEU A 6 8.322 -4.257 -3.504 1.00 52.22 H new ATOM 0 HA LEU A 6 10.268 -5.907 -4.962 1.00 4.33 H new ATOM 0 HB2 LEU A 6 7.304 -5.617 -4.817 1.00 54.01 H new ATOM 0 HB3 LEU A 6 7.965 -6.012 -6.391 1.00 54.01 H new ATOM 0 HG LEU A 6 8.799 -8.084 -5.673 1.00 14.03 H new ATOM 0 HD11 LEU A 6 8.927 -8.772 -3.310 1.00 73.15 H new ATOM 0 HD12 LEU A 6 9.911 -7.324 -3.630 1.00 73.15 H new ATOM 0 HD13 LEU A 6 8.337 -7.167 -2.816 1.00 73.15 H new ATOM 0 HD21 LEU A 6 6.874 -9.199 -4.611 1.00 72.30 H new ATOM 0 HD22 LEU A 6 6.205 -7.611 -4.167 1.00 72.30 H new ATOM 0 HD23 LEU A 6 6.360 -8.063 -5.881 1.00 72.30 H new ATOM 94 N SER A 7 9.745 -4.695 -7.342 1.00 13.42 N ATOM 95 CA SER A 7 9.970 -3.816 -8.484 1.00 22.41 C ATOM 96 C SER A 7 8.806 -3.894 -9.467 1.00 41.10 C ATOM 97 O SER A 7 8.365 -4.981 -9.839 1.00 11.20 O ATOM 98 CB SER A 7 11.275 -4.189 -9.191 1.00 1.34 C ATOM 99 OG SER A 7 12.266 -3.197 -8.987 1.00 42.53 O ATOM 0 H SER A 7 9.682 -5.685 -7.578 1.00 13.42 H new ATOM 0 HA SER A 7 10.044 -2.793 -8.115 1.00 22.41 H new ATOM 0 HB2 SER A 7 11.634 -5.148 -8.817 1.00 1.34 H new ATOM 0 HB3 SER A 7 11.092 -4.311 -10.259 1.00 1.34 H new ATOM 0 HG SER A 7 13.091 -3.459 -9.447 1.00 42.53 H new ATOM 105 N ALA A 8 8.313 -2.732 -9.884 1.00 25.03 N ATOM 106 CA ALA A 8 7.202 -2.667 -10.825 1.00 3.12 C ATOM 107 C ALA A 8 7.583 -3.282 -12.167 1.00 43.44 C ATOM 108 O ALA A 8 6.718 -3.666 -12.954 1.00 72.01 O ATOM 109 CB ALA A 8 6.752 -1.226 -11.011 1.00 0.52 C ATOM 0 H ALA A 8 8.666 -1.823 -9.585 1.00 25.03 H new ATOM 0 HA ALA A 8 6.374 -3.244 -10.413 1.00 3.12 H new ATOM 0 HB1 ALA A 8 5.922 -1.192 -11.716 1.00 0.52 H new ATOM 0 HB2 ALA A 8 6.431 -0.819 -10.052 1.00 0.52 H new ATOM 0 HB3 ALA A 8 7.581 -0.633 -11.398 1.00 0.52 H new ATOM 115 N LYS A 9 8.884 -3.371 -12.424 1.00 52.11 N ATOM 116 CA LYS A 9 9.381 -3.939 -13.672 1.00 33.45 C ATOM 117 C LYS A 9 9.719 -5.417 -13.499 1.00 44.44 C ATOM 118 O LYS A 9 9.972 -6.123 -14.476 1.00 30.14 O ATOM 119 CB LYS A 9 10.617 -3.174 -14.148 1.00 2.20 C ATOM 120 CG LYS A 9 10.906 -3.346 -15.629 1.00 70.32 C ATOM 121 CD LYS A 9 12.118 -2.537 -16.059 1.00 23.32 C ATOM 122 CE LYS A 9 12.161 -2.355 -17.568 1.00 75.33 C ATOM 123 NZ LYS A 9 11.329 -1.202 -18.011 1.00 44.23 N ATOM 0 H LYS A 9 9.614 -3.057 -11.784 1.00 52.11 H new ATOM 0 HA LYS A 9 8.595 -3.849 -14.422 1.00 33.45 H new ATOM 0 HB2 LYS A 9 10.483 -2.114 -13.933 1.00 2.20 H new ATOM 0 HB3 LYS A 9 11.483 -3.508 -13.576 1.00 2.20 H new ATOM 0 HG2 LYS A 9 11.075 -4.400 -15.847 1.00 70.32 H new ATOM 0 HG3 LYS A 9 10.036 -3.036 -16.209 1.00 70.32 H new ATOM 0 HD2 LYS A 9 12.096 -1.561 -15.574 1.00 23.32 H new ATOM 0 HD3 LYS A 9 13.027 -3.037 -15.726 1.00 23.32 H new ATOM 0 HE2 LYS A 9 13.192 -2.202 -17.886 1.00 75.33 H new ATOM 0 HE3 LYS A 9 11.809 -3.265 -18.054 1.00 75.33 H new ATOM 0 HZ1 LYS A 9 11.384 -1.111 -19.046 1.00 44.23 H new ATOM 0 HZ2 LYS A 9 10.340 -1.359 -17.730 1.00 44.23 H new ATOM 0 HZ3 LYS A 9 11.681 -0.329 -17.567 1.00 44.23 H new ATOM 137 N ASP A 10 9.721 -5.877 -12.253 1.00 65.04 N ATOM 138 CA ASP A 10 10.027 -7.271 -11.954 1.00 35.31 C ATOM 139 C ASP A 10 8.750 -8.059 -11.674 1.00 43.24 C ATOM 140 O ASP A 10 8.703 -9.273 -11.871 1.00 64.52 O ATOM 141 CB ASP A 10 10.970 -7.363 -10.754 1.00 2.33 C ATOM 142 CG ASP A 10 12.250 -6.578 -10.963 1.00 2.44 C ATOM 143 OD1 ASP A 10 12.454 -6.061 -12.081 1.00 61.25 O ATOM 144 OD2 ASP A 10 13.048 -6.479 -10.007 1.00 12.10 O ATOM 0 H ASP A 10 9.514 -5.305 -11.434 1.00 65.04 H new ATOM 0 HA ASP A 10 10.518 -7.704 -12.826 1.00 35.31 H new ATOM 0 HB2 ASP A 10 10.460 -6.991 -9.865 1.00 2.33 H new ATOM 0 HB3 ASP A 10 11.215 -8.409 -10.567 1.00 2.33 H new ATOM 149 N ILE A 11 7.719 -7.360 -11.214 1.00 14.41 N ATOM 150 CA ILE A 11 6.442 -7.994 -10.907 1.00 44.25 C ATOM 151 C ILE A 11 5.731 -8.441 -12.180 1.00 41.31 C ATOM 152 O ILE A 11 5.131 -9.514 -12.223 1.00 21.15 O ATOM 153 CB ILE A 11 5.517 -7.046 -10.121 1.00 62.14 C ATOM 154 CG1 ILE A 11 6.133 -6.708 -8.762 1.00 70.31 C ATOM 155 CG2 ILE A 11 4.143 -7.674 -9.945 1.00 54.41 C ATOM 156 CD1 ILE A 11 5.699 -5.365 -8.219 1.00 53.10 C ATOM 0 H ILE A 11 7.742 -6.354 -11.045 1.00 14.41 H new ATOM 0 HA ILE A 11 6.662 -8.866 -10.291 1.00 44.25 H new ATOM 0 HB ILE A 11 5.403 -6.121 -10.686 1.00 62.14 H new ATOM 0 HG12 ILE A 11 5.863 -7.485 -8.046 1.00 70.31 H new ATOM 0 HG13 ILE A 11 7.219 -6.721 -8.851 1.00 70.31 H new ATOM 0 HG21 ILE A 11 3.500 -6.993 -9.388 1.00 54.41 H new ATOM 0 HG22 ILE A 11 3.704 -7.869 -10.923 1.00 54.41 H new ATOM 0 HG23 ILE A 11 4.239 -8.612 -9.397 1.00 54.41 H new ATOM 0 HD11 ILE A 11 6.174 -5.192 -7.254 1.00 53.10 H new ATOM 0 HD12 ILE A 11 5.993 -4.579 -8.914 1.00 53.10 H new ATOM 0 HD13 ILE A 11 4.616 -5.355 -8.097 1.00 53.10 H new ATOM 168 N GLU A 12 5.804 -7.610 -13.215 1.00 65.15 N ATOM 169 CA GLU A 12 5.168 -7.921 -14.490 1.00 31.10 C ATOM 170 C GLU A 12 6.013 -8.904 -15.295 1.00 4.20 C ATOM 171 O GLU A 12 5.498 -9.637 -16.138 1.00 75.51 O ATOM 172 CB GLU A 12 4.944 -6.642 -15.299 1.00 41.12 C ATOM 173 CG GLU A 12 6.198 -6.130 -15.988 1.00 21.12 C ATOM 174 CD GLU A 12 6.351 -6.669 -17.397 1.00 52.51 C ATOM 175 OE1 GLU A 12 5.321 -6.842 -18.081 1.00 51.15 O ATOM 176 OE2 GLU A 12 7.501 -6.916 -17.815 1.00 63.34 O ATOM 0 H GLU A 12 6.297 -6.717 -13.196 1.00 65.15 H new ATOM 0 HA GLU A 12 4.204 -8.384 -14.282 1.00 31.10 H new ATOM 0 HB2 GLU A 12 4.177 -6.827 -16.051 1.00 41.12 H new ATOM 0 HB3 GLU A 12 4.561 -5.866 -14.637 1.00 41.12 H new ATOM 0 HG2 GLU A 12 6.171 -5.041 -16.021 1.00 21.12 H new ATOM 0 HG3 GLU A 12 7.072 -6.410 -15.399 1.00 21.12 H new ATOM 183 N SER A 13 7.316 -8.911 -15.029 1.00 34.44 N ATOM 184 CA SER A 13 8.234 -9.800 -15.731 1.00 23.15 C ATOM 185 C SER A 13 8.309 -11.159 -15.041 1.00 2.12 C ATOM 186 O SER A 13 8.930 -12.092 -15.549 1.00 4.30 O ATOM 187 CB SER A 13 9.628 -9.174 -15.802 1.00 24.03 C ATOM 188 OG SER A 13 9.596 -7.934 -16.487 1.00 63.11 O ATOM 0 H SER A 13 7.759 -8.311 -14.333 1.00 34.44 H new ATOM 0 HA SER A 13 7.857 -9.946 -16.743 1.00 23.15 H new ATOM 0 HB2 SER A 13 10.015 -9.026 -14.794 1.00 24.03 H new ATOM 0 HB3 SER A 13 10.311 -9.856 -16.309 1.00 24.03 H new ATOM 0 HG SER A 13 8.790 -7.888 -17.042 1.00 63.11 H new ATOM 194 N ALA A 14 7.671 -11.262 -13.879 1.00 43.25 N ATOM 195 CA ALA A 14 7.663 -12.506 -13.120 1.00 42.10 C ATOM 196 C ALA A 14 6.295 -13.176 -13.179 1.00 72.32 C ATOM 197 O ALA A 14 6.128 -14.311 -12.729 1.00 12.30 O ATOM 198 CB ALA A 14 8.063 -12.245 -11.675 1.00 63.04 C ATOM 0 H ALA A 14 7.153 -10.499 -13.443 1.00 43.25 H new ATOM 0 HA ALA A 14 8.390 -13.182 -13.570 1.00 42.10 H new ATOM 0 HB1 ALA A 14 8.053 -13.183 -11.120 1.00 63.04 H new ATOM 0 HB2 ALA A 14 9.065 -11.817 -11.646 1.00 63.04 H new ATOM 0 HB3 ALA A 14 7.358 -11.548 -11.223 1.00 63.04 H new ATOM 204 N LEU A 15 5.318 -12.469 -13.736 1.00 42.31 N ATOM 205 CA LEU A 15 3.963 -12.995 -13.854 1.00 31.45 C ATOM 206 C LEU A 15 3.909 -14.140 -14.860 1.00 31.31 C ATOM 207 O LEU A 15 3.435 -15.233 -14.548 1.00 11.42 O ATOM 208 CB LEU A 15 2.998 -11.885 -14.274 1.00 70.53 C ATOM 209 CG LEU A 15 2.328 -11.112 -13.138 1.00 2.10 C ATOM 210 CD1 LEU A 15 1.816 -9.769 -13.636 1.00 24.14 C ATOM 211 CD2 LEU A 15 1.194 -11.927 -12.534 1.00 53.23 C ATOM 0 H LEU A 15 5.439 -11.529 -14.113 1.00 42.31 H new ATOM 0 HA LEU A 15 3.663 -13.379 -12.879 1.00 31.45 H new ATOM 0 HB2 LEU A 15 3.542 -11.176 -14.898 1.00 70.53 H new ATOM 0 HB3 LEU A 15 2.219 -12.325 -14.896 1.00 70.53 H new ATOM 0 HG LEU A 15 3.070 -10.929 -12.361 1.00 2.10 H new ATOM 0 HD11 LEU A 15 1.342 -9.233 -12.814 1.00 24.14 H new ATOM 0 HD12 LEU A 15 2.650 -9.181 -14.020 1.00 24.14 H new ATOM 0 HD13 LEU A 15 1.089 -9.929 -14.432 1.00 24.14 H new ATOM 0 HD21 LEU A 15 0.729 -11.361 -11.727 1.00 53.23 H new ATOM 0 HD22 LEU A 15 0.451 -12.141 -13.302 1.00 53.23 H new ATOM 0 HD23 LEU A 15 1.589 -12.863 -12.140 1.00 53.23 H new ATOM 223 N SER A 16 4.400 -13.883 -16.068 1.00 73.01 N ATOM 224 CA SER A 16 4.406 -14.892 -17.121 1.00 50.53 C ATOM 225 C SER A 16 5.756 -15.600 -17.187 1.00 53.21 C ATOM 226 O SER A 16 6.051 -16.308 -18.150 1.00 3.23 O ATOM 227 CB SER A 16 4.088 -14.250 -18.473 1.00 55.21 C ATOM 228 OG SER A 16 2.869 -14.747 -18.999 1.00 64.13 O ATOM 0 H SER A 16 4.799 -12.985 -16.342 1.00 73.01 H new ATOM 0 HA SER A 16 3.639 -15.630 -16.887 1.00 50.53 H new ATOM 0 HB2 SER A 16 4.024 -13.168 -18.359 1.00 55.21 H new ATOM 0 HB3 SER A 16 4.899 -14.450 -19.174 1.00 55.21 H new ATOM 0 HG SER A 16 2.687 -14.320 -19.862 1.00 64.13 H new ATOM 234 N SER A 17 6.571 -15.403 -16.156 1.00 41.00 N ATOM 235 CA SER A 17 7.892 -16.019 -16.097 1.00 55.02 C ATOM 236 C SER A 17 7.784 -17.540 -16.147 1.00 61.04 C ATOM 237 O SER A 17 8.565 -18.206 -16.828 1.00 23.33 O ATOM 238 CB SER A 17 8.622 -15.590 -14.823 1.00 55.31 C ATOM 239 OG SER A 17 9.573 -14.576 -15.097 1.00 60.14 O ATOM 0 H SER A 17 6.340 -14.822 -15.350 1.00 41.00 H new ATOM 0 HA SER A 17 8.461 -15.683 -16.964 1.00 55.02 H new ATOM 0 HB2 SER A 17 7.900 -15.228 -14.091 1.00 55.31 H new ATOM 0 HB3 SER A 17 9.122 -16.451 -14.379 1.00 55.31 H new ATOM 0 HG SER A 17 9.130 -13.823 -15.540 1.00 60.14 H new ATOM 245 N CYS A 18 6.812 -18.082 -15.423 1.00 33.11 N ATOM 246 CA CYS A 18 6.601 -19.525 -15.383 1.00 42.01 C ATOM 247 C CYS A 18 5.148 -19.871 -15.692 1.00 22.23 C ATOM 248 O CYS A 18 4.521 -20.650 -14.975 1.00 13.02 O ATOM 249 CB CYS A 18 6.991 -20.080 -14.012 1.00 75.54 C ATOM 250 SG CYS A 18 8.599 -19.511 -13.415 1.00 22.01 S ATOM 0 H CYS A 18 6.157 -17.544 -14.855 1.00 33.11 H new ATOM 0 HA CYS A 18 7.233 -19.982 -16.145 1.00 42.01 H new ATOM 0 HB2 CYS A 18 6.227 -19.799 -13.288 1.00 75.54 H new ATOM 0 HB3 CYS A 18 6.999 -21.169 -14.062 1.00 75.54 H new ATOM 0 HG CYS A 18 9.519 -20.355 -13.776 1.00 22.01 H new ATOM 256 N GLN A 19 4.620 -19.286 -16.762 1.00 3.32 N ATOM 257 CA GLN A 19 3.240 -19.531 -17.163 1.00 42.02 C ATOM 258 C GLN A 19 3.182 -20.200 -18.532 1.00 62.24 C ATOM 259 O GLN A 19 2.138 -20.215 -19.183 1.00 50.53 O ATOM 260 CB GLN A 19 2.454 -18.219 -17.190 1.00 32.21 C ATOM 261 CG GLN A 19 2.292 -17.579 -15.821 1.00 32.04 C ATOM 262 CD GLN A 19 1.126 -18.156 -15.041 1.00 44.51 C ATOM 263 OE1 GLN A 19 0.062 -17.544 -14.951 1.00 14.22 O ATOM 264 NE2 GLN A 19 1.322 -19.339 -14.472 1.00 60.55 N ATOM 0 H GLN A 19 5.127 -18.639 -17.367 1.00 3.32 H new ATOM 0 HA GLN A 19 2.789 -20.202 -16.431 1.00 42.02 H new ATOM 0 HB2 GLN A 19 2.959 -17.516 -17.853 1.00 32.21 H new ATOM 0 HB3 GLN A 19 1.467 -18.405 -17.614 1.00 32.21 H new ATOM 0 HG2 GLN A 19 3.210 -17.716 -15.249 1.00 32.04 H new ATOM 0 HG3 GLN A 19 2.148 -16.505 -15.941 1.00 32.04 H new ATOM 0 HE21 GLN A 19 2.221 -19.811 -14.573 1.00 60.55 H new ATOM 0 HE22 GLN A 19 0.574 -19.776 -13.934 1.00 60.55 H new ATOM 273 N ALA A 20 4.311 -20.753 -18.964 1.00 22.25 N ATOM 274 CA ALA A 20 4.388 -21.425 -20.255 1.00 22.54 C ATOM 275 C ALA A 20 5.278 -22.661 -20.178 1.00 23.22 C ATOM 276 O ALA A 20 6.222 -22.710 -19.389 1.00 71.14 O ATOM 277 CB ALA A 20 4.903 -20.467 -21.319 1.00 34.33 C ATOM 0 H ALA A 20 5.185 -20.749 -18.438 1.00 22.25 H new ATOM 0 HA ALA A 20 3.384 -21.749 -20.529 1.00 22.54 H new ATOM 0 HB1 ALA A 20 4.955 -20.982 -22.278 1.00 34.33 H new ATOM 0 HB2 ALA A 20 4.227 -19.616 -21.401 1.00 34.33 H new ATOM 0 HB3 ALA A 20 5.897 -20.115 -21.042 1.00 34.33 H new ATOM 283 N ALA A 21 4.971 -23.658 -21.001 1.00 62.14 N ATOM 284 CA ALA A 21 5.744 -24.893 -21.027 1.00 65.42 C ATOM 285 C ALA A 21 7.215 -24.614 -21.318 1.00 62.42 C ATOM 286 O ALA A 21 8.088 -25.413 -20.977 1.00 74.43 O ATOM 287 CB ALA A 21 5.173 -25.852 -22.061 1.00 33.42 C ATOM 0 H ALA A 21 4.192 -23.634 -21.659 1.00 62.14 H new ATOM 0 HA ALA A 21 5.676 -25.355 -20.042 1.00 65.42 H new ATOM 0 HB1 ALA A 21 5.760 -26.770 -22.069 1.00 33.42 H new ATOM 0 HB2 ALA A 21 4.139 -26.085 -21.809 1.00 33.42 H new ATOM 0 HB3 ALA A 21 5.210 -25.389 -23.047 1.00 33.42 H new ATOM 293 N ASP A 22 7.483 -23.477 -21.950 1.00 72.35 N ATOM 294 CA ASP A 22 8.849 -23.093 -22.287 1.00 53.22 C ATOM 295 C ASP A 22 9.087 -21.616 -21.988 1.00 20.13 C ATOM 296 O ASP A 22 9.412 -20.836 -22.883 1.00 13.44 O ATOM 297 CB ASP A 22 9.133 -23.379 -23.762 1.00 71.25 C ATOM 298 CG ASP A 22 7.972 -23.000 -24.660 1.00 54.51 C ATOM 299 OD1 ASP A 22 7.727 -21.787 -24.832 1.00 33.33 O ATOM 300 OD2 ASP A 22 7.307 -23.915 -25.190 1.00 41.32 O ATOM 0 H ASP A 22 6.772 -22.805 -22.239 1.00 72.35 H new ATOM 0 HA ASP A 22 9.528 -23.684 -21.673 1.00 53.22 H new ATOM 0 HB2 ASP A 22 10.022 -22.829 -24.071 1.00 71.25 H new ATOM 0 HB3 ASP A 22 9.354 -24.439 -23.887 1.00 71.25 H new ATOM 305 N SER A 23 8.923 -21.240 -20.724 1.00 14.34 N ATOM 306 CA SER A 23 9.115 -19.856 -20.307 1.00 10.41 C ATOM 307 C SER A 23 10.067 -19.774 -19.118 1.00 5.31 C ATOM 308 O SER A 23 10.986 -18.954 -19.099 1.00 11.12 O ATOM 309 CB SER A 23 7.772 -19.219 -19.944 1.00 1.21 C ATOM 310 OG SER A 23 7.954 -17.928 -19.388 1.00 34.14 O ATOM 0 H SER A 23 8.658 -21.874 -19.971 1.00 14.34 H new ATOM 0 HA SER A 23 9.555 -19.309 -21.141 1.00 10.41 H new ATOM 0 HB2 SER A 23 7.146 -19.150 -20.834 1.00 1.21 H new ATOM 0 HB3 SER A 23 7.245 -19.854 -19.232 1.00 1.21 H new ATOM 0 HG SER A 23 8.289 -18.011 -18.471 1.00 34.14 H new ATOM 316 N PHE A 24 9.842 -20.630 -18.127 1.00 15.42 N ATOM 317 CA PHE A 24 10.678 -20.655 -16.933 1.00 1.44 C ATOM 318 C PHE A 24 12.135 -20.926 -17.295 1.00 3.31 C ATOM 319 O PHE A 24 12.546 -22.076 -17.440 1.00 21.20 O ATOM 320 CB PHE A 24 10.177 -21.720 -15.955 1.00 40.03 C ATOM 321 CG PHE A 24 11.101 -21.950 -14.794 1.00 11.24 C ATOM 322 CD1 PHE A 24 11.635 -20.880 -14.094 1.00 44.44 C ATOM 323 CD2 PHE A 24 11.434 -23.236 -14.400 1.00 45.24 C ATOM 324 CE1 PHE A 24 12.486 -21.088 -13.026 1.00 24.34 C ATOM 325 CE2 PHE A 24 12.285 -23.451 -13.332 1.00 53.30 C ATOM 326 CZ PHE A 24 12.810 -22.375 -12.643 1.00 65.41 C ATOM 0 H PHE A 24 9.087 -21.316 -18.127 1.00 15.42 H new ATOM 0 HA PHE A 24 10.616 -19.677 -16.456 1.00 1.44 H new ATOM 0 HB2 PHE A 24 9.199 -21.423 -15.577 1.00 40.03 H new ATOM 0 HB3 PHE A 24 10.040 -22.659 -16.492 1.00 40.03 H new ATOM 0 HD1 PHE A 24 11.383 -19.872 -14.387 1.00 44.44 H new ATOM 0 HD2 PHE A 24 11.024 -24.081 -14.934 1.00 45.24 H new ATOM 0 HE1 PHE A 24 12.898 -20.245 -12.491 1.00 24.34 H new ATOM 0 HE2 PHE A 24 12.539 -24.458 -13.037 1.00 53.30 H new ATOM 0 HZ PHE A 24 13.473 -22.540 -11.806 1.00 65.41 H new ATOM 336 N ASN A 25 12.911 -19.857 -17.440 1.00 45.41 N ATOM 337 CA ASN A 25 14.323 -19.978 -17.787 1.00 31.23 C ATOM 338 C ASN A 25 15.208 -19.490 -16.644 1.00 13.41 C ATOM 339 O ASN A 25 14.719 -18.932 -15.661 1.00 32.41 O ATOM 340 CB ASN A 25 14.628 -19.183 -19.058 1.00 75.52 C ATOM 341 CG ASN A 25 15.789 -19.766 -19.840 1.00 72.40 C ATOM 342 OD1 ASN A 25 15.839 -20.970 -20.094 1.00 53.00 O ATOM 343 ND2 ASN A 25 16.730 -18.913 -20.225 1.00 42.35 N ATOM 0 H ASN A 25 12.586 -18.897 -17.323 1.00 45.41 H new ATOM 0 HA ASN A 25 14.538 -21.032 -17.965 1.00 31.23 H new ATOM 0 HB2 ASN A 25 13.741 -19.162 -19.691 1.00 75.52 H new ATOM 0 HB3 ASN A 25 14.855 -18.151 -18.792 1.00 75.52 H new ATOM 0 HD21 ASN A 25 17.536 -19.247 -20.754 1.00 42.35 H new ATOM 0 HD22 ASN A 25 16.647 -17.923 -19.992 1.00 42.35 H new ATOM 350 N TYR A 26 16.512 -19.702 -16.781 1.00 12.13 N ATOM 351 CA TYR A 26 17.465 -19.285 -15.759 1.00 42.03 C ATOM 352 C TYR A 26 17.481 -17.766 -15.616 1.00 70.22 C ATOM 353 O TYR A 26 17.886 -17.232 -14.584 1.00 1.43 O ATOM 354 CB TYR A 26 18.867 -19.790 -16.104 1.00 22.51 C ATOM 355 CG TYR A 26 19.300 -19.461 -17.515 1.00 31.13 C ATOM 356 CD1 TYR A 26 19.706 -18.177 -17.856 1.00 70.12 C ATOM 357 CD2 TYR A 26 19.304 -20.435 -18.506 1.00 55.31 C ATOM 358 CE1 TYR A 26 20.101 -17.872 -19.144 1.00 43.31 C ATOM 359 CE2 TYR A 26 19.699 -20.139 -19.796 1.00 53.34 C ATOM 360 CZ TYR A 26 20.096 -18.856 -20.111 1.00 2.25 C ATOM 361 OH TYR A 26 20.491 -18.556 -21.394 1.00 74.03 O ATOM 0 H TYR A 26 16.933 -20.160 -17.589 1.00 12.13 H new ATOM 0 HA TYR A 26 17.153 -19.718 -14.809 1.00 42.03 H new ATOM 0 HB2 TYR A 26 19.582 -19.358 -15.404 1.00 22.51 H new ATOM 0 HB3 TYR A 26 18.899 -20.871 -15.966 1.00 22.51 H new ATOM 0 HD1 TYR A 26 19.713 -17.404 -17.101 1.00 70.12 H new ATOM 0 HD2 TYR A 26 18.993 -21.440 -18.263 1.00 55.31 H new ATOM 0 HE1 TYR A 26 20.412 -16.868 -19.393 1.00 43.31 H new ATOM 0 HE2 TYR A 26 19.697 -20.908 -20.554 1.00 53.34 H new ATOM 0 HH TYR A 26 20.430 -19.360 -21.951 1.00 74.03 H new ATOM 371 N LYS A 27 17.036 -17.076 -16.661 1.00 1.55 N ATOM 372 CA LYS A 27 16.996 -15.618 -16.654 1.00 32.04 C ATOM 373 C LYS A 27 15.853 -15.109 -15.781 1.00 30.43 C ATOM 374 O LYS A 27 15.999 -14.117 -15.067 1.00 55.24 O ATOM 375 CB LYS A 27 16.839 -15.085 -18.079 1.00 52.15 C ATOM 376 CG LYS A 27 18.161 -14.804 -18.773 1.00 33.31 C ATOM 377 CD LYS A 27 17.973 -13.921 -19.995 1.00 71.21 C ATOM 378 CE LYS A 27 19.251 -13.175 -20.345 1.00 40.40 C ATOM 379 NZ LYS A 27 19.194 -12.588 -21.712 1.00 51.34 N ATOM 0 H LYS A 27 16.698 -17.503 -17.523 1.00 1.55 H new ATOM 0 HA LYS A 27 17.936 -15.256 -16.238 1.00 32.04 H new ATOM 0 HB2 LYS A 27 16.276 -15.808 -18.668 1.00 52.15 H new ATOM 0 HB3 LYS A 27 16.250 -14.168 -18.052 1.00 52.15 H new ATOM 0 HG2 LYS A 27 18.844 -14.320 -18.075 1.00 33.31 H new ATOM 0 HG3 LYS A 27 18.624 -15.745 -19.071 1.00 33.31 H new ATOM 0 HD2 LYS A 27 17.663 -14.532 -20.843 1.00 71.21 H new ATOM 0 HD3 LYS A 27 17.172 -13.205 -19.809 1.00 71.21 H new ATOM 0 HE2 LYS A 27 19.420 -12.382 -19.616 1.00 40.40 H new ATOM 0 HE3 LYS A 27 20.099 -13.856 -20.277 1.00 40.40 H new ATOM 0 HZ1 LYS A 27 20.084 -12.088 -21.912 1.00 51.34 H new ATOM 0 HZ2 LYS A 27 19.058 -13.347 -22.410 1.00 51.34 H new ATOM 0 HZ3 LYS A 27 18.400 -11.919 -21.770 1.00 51.34 H new ATOM 393 N SER A 28 14.717 -15.797 -15.841 1.00 51.23 N ATOM 394 CA SER A 28 13.548 -15.413 -15.058 1.00 5.11 C ATOM 395 C SER A 28 13.892 -15.332 -13.574 1.00 23.14 C ATOM 396 O SER A 28 13.533 -14.371 -12.893 1.00 4.01 O ATOM 397 CB SER A 28 12.411 -16.413 -15.276 1.00 1.42 C ATOM 398 OG SER A 28 11.586 -16.018 -16.358 1.00 14.10 O ATOM 0 H SER A 28 14.581 -16.623 -16.424 1.00 51.23 H new ATOM 0 HA SER A 28 13.224 -14.427 -15.393 1.00 5.11 H new ATOM 0 HB2 SER A 28 12.825 -17.402 -15.472 1.00 1.42 H new ATOM 0 HB3 SER A 28 11.813 -16.492 -14.368 1.00 1.42 H new ATOM 0 HG SER A 28 10.894 -15.403 -16.035 1.00 14.10 H new ATOM 404 N PHE A 29 14.590 -16.349 -13.078 1.00 42.43 N ATOM 405 CA PHE A 29 14.983 -16.395 -11.675 1.00 15.45 C ATOM 406 C PHE A 29 15.816 -15.172 -11.302 1.00 52.33 C ATOM 407 O PHE A 29 15.598 -14.552 -10.261 1.00 4.11 O ATOM 408 CB PHE A 29 15.774 -17.672 -11.386 1.00 12.03 C ATOM 409 CG PHE A 29 16.084 -17.869 -9.929 1.00 51.43 C ATOM 410 CD1 PHE A 29 15.455 -17.100 -8.963 1.00 40.35 C ATOM 411 CD2 PHE A 29 17.005 -18.822 -9.526 1.00 71.22 C ATOM 412 CE1 PHE A 29 15.738 -17.278 -7.622 1.00 72.43 C ATOM 413 CE2 PHE A 29 17.291 -19.006 -8.187 1.00 4.43 C ATOM 414 CZ PHE A 29 16.658 -18.232 -7.234 1.00 1.03 C ATOM 0 H PHE A 29 14.895 -17.152 -13.628 1.00 42.43 H new ATOM 0 HA PHE A 29 14.076 -16.393 -11.070 1.00 15.45 H new ATOM 0 HB2 PHE A 29 15.208 -18.530 -11.748 1.00 12.03 H new ATOM 0 HB3 PHE A 29 16.708 -17.646 -11.948 1.00 12.03 H new ATOM 0 HD1 PHE A 29 14.735 -16.353 -9.262 1.00 40.35 H new ATOM 0 HD2 PHE A 29 17.505 -19.428 -10.267 1.00 71.22 H new ATOM 0 HE1 PHE A 29 15.241 -16.672 -6.879 1.00 72.43 H new ATOM 0 HE2 PHE A 29 18.009 -19.754 -7.886 1.00 4.43 H new ATOM 0 HZ PHE A 29 16.882 -18.373 -6.187 1.00 1.03 H new ATOM 424 N PHE A 30 16.771 -14.830 -12.161 1.00 20.52 N ATOM 425 CA PHE A 30 17.639 -13.683 -11.923 1.00 12.04 C ATOM 426 C PHE A 30 16.834 -12.387 -11.908 1.00 2.53 C ATOM 427 O PHE A 30 17.104 -11.485 -11.114 1.00 70.01 O ATOM 428 CB PHE A 30 18.727 -13.609 -12.995 1.00 44.43 C ATOM 429 CG PHE A 30 19.589 -14.837 -13.061 1.00 71.23 C ATOM 430 CD1 PHE A 30 19.951 -15.508 -11.904 1.00 64.04 C ATOM 431 CD2 PHE A 30 20.036 -15.321 -14.280 1.00 73.51 C ATOM 432 CE1 PHE A 30 20.745 -16.638 -11.962 1.00 73.34 C ATOM 433 CE2 PHE A 30 20.829 -16.452 -14.344 1.00 51.43 C ATOM 434 CZ PHE A 30 21.183 -17.111 -13.184 1.00 30.41 C ATOM 0 H PHE A 30 16.963 -15.331 -13.028 1.00 20.52 H new ATOM 0 HA PHE A 30 18.109 -13.810 -10.948 1.00 12.04 H new ATOM 0 HB2 PHE A 30 18.258 -13.451 -13.966 1.00 44.43 H new ATOM 0 HB3 PHE A 30 19.358 -12.742 -12.801 1.00 44.43 H new ATOM 0 HD1 PHE A 30 19.609 -15.144 -10.946 1.00 64.04 H new ATOM 0 HD2 PHE A 30 19.762 -14.809 -15.191 1.00 73.51 H new ATOM 0 HE1 PHE A 30 21.023 -17.151 -11.053 1.00 73.34 H new ATOM 0 HE2 PHE A 30 21.171 -16.819 -15.300 1.00 51.43 H new ATOM 0 HZ PHE A 30 21.801 -17.995 -13.232 1.00 30.41 H new ATOM 444 N SER A 31 15.845 -12.301 -12.792 1.00 2.34 N ATOM 445 CA SER A 31 15.003 -11.113 -12.884 1.00 25.50 C ATOM 446 C SER A 31 13.679 -11.329 -12.158 1.00 52.05 C ATOM 447 O SER A 31 12.665 -10.716 -12.496 1.00 21.25 O ATOM 448 CB SER A 31 14.744 -10.759 -14.349 1.00 74.45 C ATOM 449 OG SER A 31 15.112 -9.419 -14.623 1.00 54.42 O ATOM 0 H SER A 31 15.607 -13.039 -13.454 1.00 2.34 H new ATOM 0 HA SER A 31 15.528 -10.286 -12.406 1.00 25.50 H new ATOM 0 HB2 SER A 31 15.307 -11.433 -14.994 1.00 74.45 H new ATOM 0 HB3 SER A 31 13.689 -10.904 -14.580 1.00 74.45 H new ATOM 0 HG SER A 31 14.938 -9.218 -15.566 1.00 54.42 H new ATOM 455 N THR A 32 13.694 -12.205 -11.159 1.00 24.42 N ATOM 456 CA THR A 32 12.496 -12.504 -10.385 1.00 72.04 C ATOM 457 C THR A 32 11.834 -11.226 -9.882 1.00 74.53 C ATOM 458 O THR A 32 12.463 -10.170 -9.825 1.00 51.12 O ATOM 459 CB THR A 32 12.815 -13.411 -9.182 1.00 61.33 C ATOM 460 OG1 THR A 32 11.656 -13.553 -8.354 1.00 54.30 O ATOM 461 CG2 THR A 32 13.963 -12.840 -8.363 1.00 71.35 C ATOM 0 H THR A 32 14.524 -12.721 -10.866 1.00 24.42 H new ATOM 0 HA THR A 32 11.811 -13.027 -11.052 1.00 72.04 H new ATOM 0 HB THR A 32 13.111 -14.389 -9.561 1.00 61.33 H new ATOM 0 HG1 THR A 32 11.835 -14.212 -7.651 1.00 54.30 H new ATOM 0 HG21 THR A 32 14.170 -13.498 -7.519 1.00 71.35 H new ATOM 0 HG22 THR A 32 14.852 -12.761 -8.988 1.00 71.35 H new ATOM 0 HG23 THR A 32 13.690 -11.851 -7.994 1.00 71.35 H new ATOM 469 N VAL A 33 10.560 -11.330 -9.517 1.00 55.14 N ATOM 470 CA VAL A 33 9.812 -10.182 -9.017 1.00 21.52 C ATOM 471 C VAL A 33 10.522 -9.539 -7.831 1.00 31.11 C ATOM 472 O VAL A 33 10.304 -8.368 -7.525 1.00 3.33 O ATOM 473 CB VAL A 33 8.387 -10.583 -8.592 1.00 53.03 C ATOM 474 CG1 VAL A 33 8.428 -11.748 -7.615 1.00 71.13 C ATOM 475 CG2 VAL A 33 7.658 -9.393 -7.986 1.00 31.42 C ATOM 0 H VAL A 33 10.024 -12.197 -9.558 1.00 55.14 H new ATOM 0 HA VAL A 33 9.751 -9.463 -9.834 1.00 21.52 H new ATOM 0 HB VAL A 33 7.839 -10.903 -9.478 1.00 53.03 H new ATOM 0 HG11 VAL A 33 7.412 -12.017 -7.326 1.00 71.13 H new ATOM 0 HG12 VAL A 33 8.909 -12.604 -8.089 1.00 71.13 H new ATOM 0 HG13 VAL A 33 8.993 -11.460 -6.728 1.00 71.13 H new ATOM 0 HG21 VAL A 33 6.653 -9.694 -7.691 1.00 31.42 H new ATOM 0 HG22 VAL A 33 8.203 -9.040 -7.110 1.00 31.42 H new ATOM 0 HG23 VAL A 33 7.596 -8.591 -8.722 1.00 31.42 H new ATOM 485 N GLY A 34 11.374 -10.314 -7.166 1.00 74.32 N ATOM 486 CA GLY A 34 12.103 -9.803 -6.021 1.00 5.31 C ATOM 487 C GLY A 34 11.403 -10.095 -4.709 1.00 73.00 C ATOM 488 O GLY A 34 11.436 -9.282 -3.784 1.00 61.30 O ATOM 0 H GLY A 34 11.572 -11.287 -7.400 1.00 74.32 H new ATOM 0 HA2 GLY A 34 13.100 -10.244 -6.003 1.00 5.31 H new ATOM 0 HA3 GLY A 34 12.232 -8.726 -6.128 1.00 5.31 H new ATOM 492 N LEU A 35 10.765 -11.257 -4.627 1.00 74.33 N ATOM 493 CA LEU A 35 10.051 -11.655 -3.419 1.00 14.32 C ATOM 494 C LEU A 35 10.614 -12.956 -2.857 1.00 35.21 C ATOM 495 O LEU A 35 10.830 -13.081 -1.652 1.00 21.34 O ATOM 496 CB LEU A 35 8.558 -11.817 -3.714 1.00 45.25 C ATOM 497 CG LEU A 35 7.601 -11.256 -2.662 1.00 60.13 C ATOM 498 CD1 LEU A 35 6.194 -11.788 -2.884 1.00 14.11 C ATOM 499 CD2 LEU A 35 8.088 -11.598 -1.262 1.00 20.32 C ATOM 0 H LEU A 35 10.727 -11.941 -5.383 1.00 74.33 H new ATOM 0 HA LEU A 35 10.184 -10.871 -2.674 1.00 14.32 H new ATOM 0 HB2 LEU A 35 8.342 -11.334 -4.667 1.00 45.25 H new ATOM 0 HB3 LEU A 35 8.346 -12.879 -3.839 1.00 45.25 H new ATOM 0 HG LEU A 35 7.577 -10.171 -2.761 1.00 60.13 H new ATOM 0 HD11 LEU A 35 5.526 -11.378 -2.126 1.00 14.11 H new ATOM 0 HD12 LEU A 35 5.845 -11.492 -3.873 1.00 14.11 H new ATOM 0 HD13 LEU A 35 6.201 -12.876 -2.812 1.00 14.11 H new ATOM 0 HD21 LEU A 35 7.395 -11.191 -0.526 1.00 20.32 H new ATOM 0 HD22 LEU A 35 8.142 -12.681 -1.150 1.00 20.32 H new ATOM 0 HD23 LEU A 35 9.077 -11.168 -1.106 1.00 20.32 H new ATOM 511 N SER A 36 10.850 -13.922 -3.739 1.00 23.23 N ATOM 512 CA SER A 36 11.387 -15.215 -3.331 1.00 31.14 C ATOM 513 C SER A 36 12.844 -15.086 -2.896 1.00 72.15 C ATOM 514 O SER A 36 13.384 -15.967 -2.227 1.00 40.23 O ATOM 515 CB SER A 36 11.271 -16.223 -4.475 1.00 65.44 C ATOM 516 OG SER A 36 11.424 -15.587 -5.733 1.00 31.35 O ATOM 0 H SER A 36 10.678 -13.834 -4.740 1.00 23.23 H new ATOM 0 HA SER A 36 10.803 -15.571 -2.482 1.00 31.14 H new ATOM 0 HB2 SER A 36 12.030 -16.997 -4.360 1.00 65.44 H new ATOM 0 HB3 SER A 36 10.301 -16.719 -4.430 1.00 65.44 H new ATOM 0 HG SER A 36 11.347 -16.253 -6.448 1.00 31.35 H new ATOM 522 N SER A 37 13.474 -13.981 -3.283 1.00 22.53 N ATOM 523 CA SER A 37 14.870 -13.737 -2.938 1.00 32.35 C ATOM 524 C SER A 37 14.990 -12.589 -1.940 1.00 72.11 C ATOM 525 O SER A 37 16.031 -11.939 -1.846 1.00 51.30 O ATOM 526 CB SER A 37 15.681 -13.422 -4.196 1.00 13.32 C ATOM 527 OG SER A 37 15.119 -12.331 -4.905 1.00 15.04 O ATOM 0 H SER A 37 13.040 -13.241 -3.835 1.00 22.53 H new ATOM 0 HA SER A 37 15.268 -14.640 -2.476 1.00 32.35 H new ATOM 0 HB2 SER A 37 16.710 -13.190 -3.921 1.00 13.32 H new ATOM 0 HB3 SER A 37 15.714 -14.300 -4.841 1.00 13.32 H new ATOM 0 HG SER A 37 15.656 -12.148 -5.704 1.00 15.04 H new ATOM 533 N LYS A 38 13.916 -12.345 -1.196 1.00 61.34 N ATOM 534 CA LYS A 38 13.899 -11.277 -0.204 1.00 74.11 C ATOM 535 C LYS A 38 14.269 -11.810 1.176 1.00 20.41 C ATOM 536 O LYS A 38 14.549 -12.998 1.340 1.00 64.41 O ATOM 537 CB LYS A 38 12.517 -10.621 -0.155 1.00 72.11 C ATOM 538 CG LYS A 38 12.385 -9.412 -1.065 1.00 10.34 C ATOM 539 CD LYS A 38 13.060 -8.188 -0.467 1.00 33.41 C ATOM 540 CE LYS A 38 13.148 -7.053 -1.475 1.00 10.55 C ATOM 541 NZ LYS A 38 13.617 -5.787 -0.844 1.00 61.45 N ATOM 0 H LYS A 38 13.046 -12.873 -1.262 1.00 61.34 H new ATOM 0 HA LYS A 38 14.639 -10.532 -0.496 1.00 74.11 H new ATOM 0 HB2 LYS A 38 11.764 -11.358 -0.433 1.00 72.11 H new ATOM 0 HB3 LYS A 38 12.304 -10.319 0.870 1.00 72.11 H new ATOM 0 HG2 LYS A 38 12.828 -9.636 -2.035 1.00 10.34 H new ATOM 0 HG3 LYS A 38 11.330 -9.199 -1.238 1.00 10.34 H new ATOM 0 HD2 LYS A 38 12.503 -7.856 0.409 1.00 33.41 H new ATOM 0 HD3 LYS A 38 14.061 -8.453 -0.127 1.00 33.41 H new ATOM 0 HE2 LYS A 38 13.829 -7.333 -2.279 1.00 10.55 H new ATOM 0 HE3 LYS A 38 12.170 -6.893 -1.928 1.00 10.55 H new ATOM 0 HZ1 LYS A 38 13.168 -4.977 -1.317 1.00 61.45 H new ATOM 0 HZ2 LYS A 38 13.360 -5.786 0.164 1.00 61.45 H new ATOM 0 HZ3 LYS A 38 14.650 -5.714 -0.938 1.00 61.45 H new ATOM 555 N THR A 39 14.267 -10.925 2.168 1.00 61.11 N ATOM 556 CA THR A 39 14.602 -11.307 3.534 1.00 44.22 C ATOM 557 C THR A 39 13.362 -11.750 4.301 1.00 0.22 C ATOM 558 O THR A 39 12.236 -11.363 3.986 1.00 25.00 O ATOM 559 CB THR A 39 15.274 -10.147 4.292 1.00 4.15 C ATOM 560 OG1 THR A 39 16.531 -10.575 4.829 1.00 61.20 O ATOM 561 CG2 THR A 39 14.381 -9.646 5.417 1.00 21.55 C ATOM 0 H THR A 39 14.037 -9.938 2.051 1.00 61.11 H new ATOM 0 HA THR A 39 15.301 -12.141 3.467 1.00 44.22 H new ATOM 0 HB THR A 39 15.439 -9.330 3.589 1.00 4.15 H new ATOM 0 HG1 THR A 39 16.952 -9.831 5.308 1.00 61.20 H new ATOM 0 HG21 THR A 39 14.877 -8.827 5.938 1.00 21.55 H new ATOM 0 HG22 THR A 39 13.437 -9.293 5.002 1.00 21.55 H new ATOM 0 HG23 THR A 39 14.189 -10.458 6.118 1.00 21.55 H new ATOM 569 N PRO A 40 13.569 -12.580 5.334 1.00 63.31 N ATOM 570 CA PRO A 40 12.479 -13.093 6.169 1.00 52.12 C ATOM 571 C PRO A 40 11.856 -12.007 7.040 1.00 61.21 C ATOM 572 O PRO A 40 12.085 -11.961 8.249 1.00 51.13 O ATOM 573 CB PRO A 40 13.165 -14.149 7.039 1.00 14.00 C ATOM 574 CG PRO A 40 14.592 -13.726 7.094 1.00 40.03 C ATOM 575 CD PRO A 40 14.884 -13.082 5.767 1.00 63.35 C ATOM 0 HA PRO A 40 11.656 -13.484 5.570 1.00 52.12 H new ATOM 0 HB2 PRO A 40 12.725 -14.188 8.035 1.00 14.00 H new ATOM 0 HB3 PRO A 40 13.064 -15.145 6.607 1.00 14.00 H new ATOM 0 HG2 PRO A 40 14.760 -13.026 7.913 1.00 40.03 H new ATOM 0 HG3 PRO A 40 15.246 -14.581 7.265 1.00 40.03 H new ATOM 0 HD2 PRO A 40 15.610 -12.275 5.863 1.00 63.35 H new ATOM 0 HD3 PRO A 40 15.295 -13.798 5.055 1.00 63.35 H new ATOM 583 N ASP A 41 11.068 -11.136 6.419 1.00 64.31 N ATOM 584 CA ASP A 41 10.411 -10.051 7.138 1.00 22.44 C ATOM 585 C ASP A 41 9.608 -9.174 6.183 1.00 32.33 C ATOM 586 O ASP A 41 8.571 -8.625 6.555 1.00 40.15 O ATOM 587 CB ASP A 41 11.445 -9.204 7.882 1.00 51.15 C ATOM 588 CG ASP A 41 11.078 -8.987 9.336 1.00 13.23 C ATOM 589 OD1 ASP A 41 10.003 -8.406 9.596 1.00 24.13 O ATOM 590 OD2 ASP A 41 11.865 -9.397 10.215 1.00 41.20 O ATOM 0 H ASP A 41 10.869 -11.160 5.419 1.00 64.31 H new ATOM 0 HA ASP A 41 9.725 -10.491 7.862 1.00 22.44 H new ATOM 0 HB2 ASP A 41 12.418 -9.691 7.825 1.00 51.15 H new ATOM 0 HB3 ASP A 41 11.543 -8.238 7.387 1.00 51.15 H new ATOM 595 N GLN A 42 10.095 -9.047 4.953 1.00 33.41 N ATOM 596 CA GLN A 42 9.422 -8.235 3.946 1.00 63.31 C ATOM 597 C GLN A 42 8.352 -9.044 3.220 1.00 63.10 C ATOM 598 O GLN A 42 7.322 -8.505 2.815 1.00 71.43 O ATOM 599 CB GLN A 42 10.437 -7.690 2.939 1.00 30.23 C ATOM 600 CG GLN A 42 11.623 -6.994 3.587 1.00 30.22 C ATOM 601 CD GLN A 42 12.788 -6.816 2.633 1.00 33.33 C ATOM 602 OE1 GLN A 42 12.860 -5.829 1.901 1.00 62.10 O ATOM 603 NE2 GLN A 42 13.708 -7.774 2.637 1.00 12.20 N ATOM 0 H GLN A 42 10.952 -9.495 4.630 1.00 33.41 H new ATOM 0 HA GLN A 42 8.938 -7.400 4.453 1.00 63.31 H new ATOM 0 HB2 GLN A 42 10.801 -8.511 2.322 1.00 30.23 H new ATOM 0 HB3 GLN A 42 9.935 -6.989 2.272 1.00 30.23 H new ATOM 0 HG2 GLN A 42 11.309 -6.018 3.957 1.00 30.22 H new ATOM 0 HG3 GLN A 42 11.951 -7.572 4.451 1.00 30.22 H new ATOM 0 HE21 GLN A 42 13.608 -8.575 3.261 1.00 12.20 H new ATOM 0 HE22 GLN A 42 14.515 -7.709 2.016 1.00 12.20 H new ATOM 612 N ILE A 43 8.604 -10.339 3.059 1.00 11.21 N ATOM 613 CA ILE A 43 7.662 -11.221 2.383 1.00 74.44 C ATOM 614 C ILE A 43 6.271 -11.117 3.000 1.00 71.44 C ATOM 615 O ILE A 43 5.278 -10.941 2.294 1.00 73.23 O ATOM 616 CB ILE A 43 8.126 -12.689 2.436 1.00 3.33 C ATOM 617 CG1 ILE A 43 9.498 -12.837 1.774 1.00 55.32 C ATOM 618 CG2 ILE A 43 7.106 -13.593 1.761 1.00 15.35 C ATOM 619 CD1 ILE A 43 10.102 -14.214 1.937 1.00 1.43 C ATOM 0 H ILE A 43 9.453 -10.800 3.388 1.00 11.21 H new ATOM 0 HA ILE A 43 7.621 -10.899 1.342 1.00 74.44 H new ATOM 0 HB ILE A 43 8.212 -12.989 3.480 1.00 3.33 H new ATOM 0 HG12 ILE A 43 9.406 -12.613 0.711 1.00 55.32 H new ATOM 0 HG13 ILE A 43 10.178 -12.098 2.197 1.00 55.32 H new ATOM 0 HG21 ILE A 43 7.449 -14.627 1.807 1.00 15.35 H new ATOM 0 HG22 ILE A 43 6.147 -13.506 2.273 1.00 15.35 H new ATOM 0 HG23 ILE A 43 6.990 -13.296 0.719 1.00 15.35 H new ATOM 0 HD11 ILE A 43 11.073 -14.246 1.443 1.00 1.43 H new ATOM 0 HD12 ILE A 43 10.227 -14.433 2.997 1.00 1.43 H new ATOM 0 HD13 ILE A 43 9.442 -14.956 1.488 1.00 1.43 H new ATOM 631 N LYS A 44 6.207 -11.226 4.322 1.00 0.13 N ATOM 632 CA LYS A 44 4.939 -11.141 5.037 1.00 30.11 C ATOM 633 C LYS A 44 4.223 -9.832 4.722 1.00 42.42 C ATOM 634 O LYS A 44 2.995 -9.785 4.650 1.00 50.13 O ATOM 635 CB LYS A 44 5.171 -11.257 6.545 1.00 23.42 C ATOM 636 CG LYS A 44 6.319 -10.401 7.052 1.00 71.04 C ATOM 637 CD LYS A 44 6.369 -10.378 8.570 1.00 4.41 C ATOM 638 CE LYS A 44 6.405 -8.954 9.105 1.00 61.03 C ATOM 639 NZ LYS A 44 7.057 -8.880 10.442 1.00 51.24 N ATOM 0 H LYS A 44 7.019 -11.374 4.921 1.00 0.13 H new ATOM 0 HA LYS A 44 4.309 -11.968 4.708 1.00 30.11 H new ATOM 0 HB2 LYS A 44 4.258 -10.972 7.067 1.00 23.42 H new ATOM 0 HB3 LYS A 44 5.369 -12.300 6.795 1.00 23.42 H new ATOM 0 HG2 LYS A 44 7.261 -10.786 6.662 1.00 71.04 H new ATOM 0 HG3 LYS A 44 6.210 -9.384 6.675 1.00 71.04 H new ATOM 0 HD2 LYS A 44 5.499 -10.897 8.972 1.00 4.41 H new ATOM 0 HD3 LYS A 44 7.250 -10.920 8.914 1.00 4.41 H new ATOM 0 HE2 LYS A 44 6.942 -8.316 8.403 1.00 61.03 H new ATOM 0 HE3 LYS A 44 5.389 -8.566 9.175 1.00 61.03 H new ATOM 0 HZ1 LYS A 44 6.647 -8.094 10.985 1.00 51.24 H new ATOM 0 HZ2 LYS A 44 6.902 -9.772 10.954 1.00 51.24 H new ATOM 0 HZ3 LYS A 44 8.078 -8.722 10.322 1.00 51.24 H new ATOM 653 N LYS A 45 4.999 -8.769 4.533 1.00 33.31 N ATOM 654 CA LYS A 45 4.440 -7.459 4.222 1.00 12.14 C ATOM 655 C LYS A 45 3.859 -7.436 2.812 1.00 15.34 C ATOM 656 O LYS A 45 3.061 -6.561 2.473 1.00 24.01 O ATOM 657 CB LYS A 45 5.514 -6.378 4.361 1.00 41.35 C ATOM 658 CG LYS A 45 5.545 -5.723 5.731 1.00 42.34 C ATOM 659 CD LYS A 45 6.272 -4.389 5.695 1.00 42.15 C ATOM 660 CE LYS A 45 7.756 -4.570 5.414 1.00 21.32 C ATOM 661 NZ LYS A 45 8.457 -3.264 5.269 1.00 72.42 N ATOM 0 H LYS A 45 6.017 -8.790 4.590 1.00 33.31 H new ATOM 0 HA LYS A 45 3.636 -7.257 4.930 1.00 12.14 H new ATOM 0 HB2 LYS A 45 6.490 -6.819 4.156 1.00 41.35 H new ATOM 0 HB3 LYS A 45 5.346 -5.611 3.605 1.00 41.35 H new ATOM 0 HG2 LYS A 45 4.526 -5.573 6.087 1.00 42.34 H new ATOM 0 HG3 LYS A 45 6.037 -6.387 6.442 1.00 42.34 H new ATOM 0 HD2 LYS A 45 5.830 -3.753 4.928 1.00 42.15 H new ATOM 0 HD3 LYS A 45 6.141 -3.876 6.648 1.00 42.15 H new ATOM 0 HE2 LYS A 45 8.212 -5.139 6.224 1.00 21.32 H new ATOM 0 HE3 LYS A 45 7.884 -5.154 4.503 1.00 21.32 H new ATOM 0 HZ1 LYS A 45 9.466 -3.431 5.078 1.00 72.42 H new ATOM 0 HZ2 LYS A 45 8.039 -2.731 4.480 1.00 72.42 H new ATOM 0 HZ3 LYS A 45 8.357 -2.717 6.148 1.00 72.42 H new ATOM 675 N VAL A 46 4.262 -8.403 1.995 1.00 74.31 N ATOM 676 CA VAL A 46 3.779 -8.495 0.622 1.00 34.13 C ATOM 677 C VAL A 46 2.514 -9.343 0.540 1.00 1.23 C ATOM 678 O VAL A 46 1.760 -9.261 -0.430 1.00 5.41 O ATOM 679 CB VAL A 46 4.848 -9.096 -0.310 1.00 15.21 C ATOM 680 CG1 VAL A 46 4.325 -9.181 -1.736 1.00 24.51 C ATOM 681 CG2 VAL A 46 6.127 -8.276 -0.250 1.00 44.33 C ATOM 0 H VAL A 46 4.922 -9.134 2.260 1.00 74.31 H new ATOM 0 HA VAL A 46 3.554 -7.479 0.297 1.00 34.13 H new ATOM 0 HB VAL A 46 5.075 -10.107 0.029 1.00 15.21 H new ATOM 0 HG11 VAL A 46 5.093 -9.608 -2.381 1.00 24.51 H new ATOM 0 HG12 VAL A 46 3.438 -9.814 -1.761 1.00 24.51 H new ATOM 0 HG13 VAL A 46 4.069 -8.182 -2.090 1.00 24.51 H new ATOM 0 HG21 VAL A 46 6.872 -8.714 -0.914 1.00 44.33 H new ATOM 0 HG22 VAL A 46 5.918 -7.253 -0.563 1.00 44.33 H new ATOM 0 HG23 VAL A 46 6.509 -8.272 0.771 1.00 44.33 H new ATOM 691 N PHE A 47 2.287 -10.157 1.565 1.00 20.43 N ATOM 692 CA PHE A 47 1.113 -11.022 1.610 1.00 43.34 C ATOM 693 C PHE A 47 -0.086 -10.280 2.192 1.00 75.11 C ATOM 694 O PHE A 47 -1.235 -10.637 1.934 1.00 14.23 O ATOM 695 CB PHE A 47 1.406 -12.273 2.440 1.00 11.12 C ATOM 696 CG PHE A 47 0.225 -12.756 3.233 1.00 3.44 C ATOM 697 CD1 PHE A 47 -0.733 -13.568 2.649 1.00 53.30 C ATOM 698 CD2 PHE A 47 0.074 -12.398 4.563 1.00 3.33 C ATOM 699 CE1 PHE A 47 -1.821 -14.012 3.376 1.00 20.55 C ATOM 700 CE2 PHE A 47 -1.011 -12.840 5.296 1.00 11.10 C ATOM 701 CZ PHE A 47 -1.959 -13.649 4.702 1.00 75.21 C ATOM 0 H PHE A 47 2.900 -10.236 2.376 1.00 20.43 H new ATOM 0 HA PHE A 47 0.873 -11.321 0.590 1.00 43.34 H new ATOM 0 HB2 PHE A 47 1.738 -13.071 1.776 1.00 11.12 H new ATOM 0 HB3 PHE A 47 2.230 -12.062 3.122 1.00 11.12 H new ATOM 0 HD1 PHE A 47 -0.629 -13.857 1.614 1.00 53.30 H new ATOM 0 HD2 PHE A 47 0.813 -11.766 5.033 1.00 3.33 H new ATOM 0 HE1 PHE A 47 -2.563 -14.642 2.908 1.00 20.55 H new ATOM 0 HE2 PHE A 47 -1.117 -12.553 6.332 1.00 11.10 H new ATOM 0 HZ PHE A 47 -2.807 -13.998 5.273 1.00 75.21 H new ATOM 711 N GLY A 48 0.190 -9.245 2.980 1.00 62.32 N ATOM 712 CA GLY A 48 -0.875 -8.470 3.587 1.00 14.23 C ATOM 713 C GLY A 48 -1.657 -7.662 2.570 1.00 32.22 C ATOM 714 O GLY A 48 -2.695 -7.083 2.893 1.00 61.20 O ATOM 0 H GLY A 48 1.133 -8.930 3.208 1.00 62.32 H new ATOM 0 HA2 GLY A 48 -1.554 -9.141 4.113 1.00 14.23 H new ATOM 0 HA3 GLY A 48 -0.451 -7.797 4.332 1.00 14.23 H new ATOM 718 N ILE A 49 -1.158 -7.622 1.339 1.00 11.35 N ATOM 719 CA ILE A 49 -1.817 -6.878 0.273 1.00 61.43 C ATOM 720 C ILE A 49 -2.784 -7.768 -0.501 1.00 12.11 C ATOM 721 O ILE A 49 -3.637 -7.279 -1.242 1.00 54.54 O ATOM 722 CB ILE A 49 -0.794 -6.276 -0.709 1.00 31.33 C ATOM 723 CG1 ILE A 49 0.345 -5.601 0.058 1.00 13.11 C ATOM 724 CG2 ILE A 49 -1.474 -5.284 -1.640 1.00 72.12 C ATOM 725 CD1 ILE A 49 1.440 -5.063 -0.836 1.00 71.21 C ATOM 0 H ILE A 49 -0.300 -8.096 1.056 1.00 11.35 H new ATOM 0 HA ILE A 49 -2.372 -6.069 0.749 1.00 61.43 H new ATOM 0 HB ILE A 49 -0.374 -7.081 -1.312 1.00 31.33 H new ATOM 0 HG12 ILE A 49 -0.063 -4.783 0.652 1.00 13.11 H new ATOM 0 HG13 ILE A 49 0.777 -6.318 0.756 1.00 13.11 H new ATOM 0 HG21 ILE A 49 -0.738 -4.867 -2.328 1.00 72.12 H new ATOM 0 HG22 ILE A 49 -2.254 -5.793 -2.207 1.00 72.12 H new ATOM 0 HG23 ILE A 49 -1.918 -4.480 -1.053 1.00 72.12 H new ATOM 0 HD11 ILE A 49 2.214 -4.598 -0.225 1.00 71.21 H new ATOM 0 HD12 ILE A 49 1.874 -5.880 -1.411 1.00 71.21 H new ATOM 0 HD13 ILE A 49 1.022 -4.322 -1.517 1.00 71.21 H new ATOM 737 N LEU A 50 -2.647 -9.077 -0.322 1.00 60.12 N ATOM 738 CA LEU A 50 -3.510 -10.037 -1.002 1.00 12.30 C ATOM 739 C LEU A 50 -4.842 -10.183 -0.273 1.00 51.31 C ATOM 740 O LEU A 50 -5.907 -10.004 -0.864 1.00 73.00 O ATOM 741 CB LEU A 50 -2.817 -11.397 -1.099 1.00 0.13 C ATOM 742 CG LEU A 50 -1.291 -11.368 -1.187 1.00 43.42 C ATOM 743 CD1 LEU A 50 -0.737 -12.778 -1.319 1.00 44.44 C ATOM 744 CD2 LEU A 50 -0.841 -10.504 -2.357 1.00 2.04 C ATOM 0 H LEU A 50 -1.947 -9.498 0.288 1.00 60.12 H new ATOM 0 HA LEU A 50 -3.706 -9.664 -2.007 1.00 12.30 H new ATOM 0 HB2 LEU A 50 -3.100 -11.989 -0.229 1.00 0.13 H new ATOM 0 HB3 LEU A 50 -3.202 -11.917 -1.977 1.00 0.13 H new ATOM 0 HG LEU A 50 -0.901 -10.931 -0.267 1.00 43.42 H new ATOM 0 HD11 LEU A 50 0.351 -12.737 -1.380 1.00 44.44 H new ATOM 0 HD12 LEU A 50 -1.030 -13.367 -0.450 1.00 44.44 H new ATOM 0 HD13 LEU A 50 -1.134 -13.242 -2.222 1.00 44.44 H new ATOM 0 HD21 LEU A 50 0.248 -10.495 -2.405 1.00 2.04 H new ATOM 0 HD22 LEU A 50 -1.241 -10.911 -3.285 1.00 2.04 H new ATOM 0 HD23 LEU A 50 -1.207 -9.486 -2.220 1.00 2.04 H new ATOM 756 N ASP A 51 -4.774 -10.506 1.013 1.00 30.25 N ATOM 757 CA ASP A 51 -5.975 -10.673 1.825 1.00 45.25 C ATOM 758 C ASP A 51 -6.864 -9.436 1.739 1.00 23.25 C ATOM 759 O ASP A 51 -6.498 -8.440 1.116 1.00 14.25 O ATOM 760 CB ASP A 51 -5.598 -10.946 3.281 1.00 24.05 C ATOM 761 CG ASP A 51 -5.356 -9.671 4.066 1.00 61.43 C ATOM 762 OD1 ASP A 51 -4.220 -9.154 4.021 1.00 33.22 O ATOM 763 OD2 ASP A 51 -6.302 -9.191 4.725 1.00 71.31 O ATOM 0 H ASP A 51 -3.900 -10.658 1.517 1.00 30.25 H new ATOM 0 HA ASP A 51 -6.531 -11.526 1.437 1.00 45.25 H new ATOM 0 HB2 ASP A 51 -6.394 -11.517 3.758 1.00 24.05 H new ATOM 0 HB3 ASP A 51 -4.700 -11.564 3.311 1.00 24.05 H new ATOM 768 N GLN A 52 -8.032 -9.509 2.369 1.00 70.31 N ATOM 769 CA GLN A 52 -8.974 -8.396 2.362 1.00 23.03 C ATOM 770 C GLN A 52 -9.790 -8.366 3.650 1.00 10.12 C ATOM 771 O GLN A 52 -9.941 -7.317 4.276 1.00 12.25 O ATOM 772 CB GLN A 52 -9.907 -8.497 1.155 1.00 74.51 C ATOM 773 CG GLN A 52 -10.583 -9.853 1.020 1.00 4.22 C ATOM 774 CD GLN A 52 -11.194 -10.067 -0.350 1.00 40.55 C ATOM 775 OE1 GLN A 52 -10.498 -10.406 -1.307 1.00 65.15 O ATOM 776 NE2 GLN A 52 -12.503 -9.868 -0.453 1.00 30.45 N ATOM 0 H GLN A 52 -8.348 -10.327 2.890 1.00 70.31 H new ATOM 0 HA GLN A 52 -8.403 -7.470 2.293 1.00 23.03 H new ATOM 0 HB2 GLN A 52 -10.672 -7.725 1.232 1.00 74.51 H new ATOM 0 HB3 GLN A 52 -9.338 -8.292 0.248 1.00 74.51 H new ATOM 0 HG2 GLN A 52 -9.854 -10.639 1.215 1.00 4.22 H new ATOM 0 HG3 GLN A 52 -11.360 -9.944 1.779 1.00 4.22 H new ATOM 0 HE21 GLN A 52 -13.042 -9.587 0.366 1.00 30.45 H new ATOM 0 HE22 GLN A 52 -12.969 -9.996 -1.351 1.00 30.45 H new ATOM 785 N ASP A 53 -10.314 -9.523 4.040 1.00 53.35 N ATOM 786 CA ASP A 53 -11.115 -9.629 5.254 1.00 72.14 C ATOM 787 C ASP A 53 -11.316 -11.090 5.645 1.00 15.45 C ATOM 788 O ASP A 53 -12.429 -11.512 5.961 1.00 53.35 O ATOM 789 CB ASP A 53 -12.471 -8.949 5.057 1.00 71.40 C ATOM 790 CG ASP A 53 -13.073 -8.470 6.363 1.00 33.01 C ATOM 791 OD1 ASP A 53 -12.526 -7.515 6.954 1.00 73.10 O ATOM 792 OD2 ASP A 53 -14.092 -9.049 6.794 1.00 20.21 O ATOM 0 H ASP A 53 -10.198 -10.401 3.533 1.00 53.35 H new ATOM 0 HA ASP A 53 -10.579 -9.126 6.059 1.00 72.14 H new ATOM 0 HB2 ASP A 53 -12.355 -8.102 4.381 1.00 71.40 H new ATOM 0 HB3 ASP A 53 -13.158 -9.647 4.578 1.00 71.40 H new ATOM 797 N LYS A 54 -10.233 -11.858 5.623 1.00 45.32 N ATOM 798 CA LYS A 54 -10.288 -13.271 5.976 1.00 74.44 C ATOM 799 C LYS A 54 -9.712 -13.508 7.368 1.00 52.11 C ATOM 800 O LYS A 54 -9.189 -14.584 7.659 1.00 12.51 O ATOM 801 CB LYS A 54 -9.522 -14.106 4.947 1.00 52.35 C ATOM 802 CG LYS A 54 -9.756 -13.666 3.512 1.00 73.35 C ATOM 803 CD LYS A 54 -11.235 -13.666 3.163 1.00 72.14 C ATOM 804 CE LYS A 54 -11.809 -15.075 3.167 1.00 51.31 C ATOM 805 NZ LYS A 54 -12.741 -15.297 2.027 1.00 33.31 N ATOM 0 H LYS A 54 -9.304 -11.525 5.364 1.00 45.32 H new ATOM 0 HA LYS A 54 -11.334 -13.578 5.978 1.00 74.44 H new ATOM 0 HB2 LYS A 54 -8.456 -14.049 5.166 1.00 52.35 H new ATOM 0 HB3 LYS A 54 -9.813 -15.151 5.050 1.00 52.35 H new ATOM 0 HG2 LYS A 54 -9.347 -12.666 3.366 1.00 73.35 H new ATOM 0 HG3 LYS A 54 -9.221 -14.332 2.835 1.00 73.35 H new ATOM 0 HD2 LYS A 54 -11.779 -13.049 3.878 1.00 72.14 H new ATOM 0 HD3 LYS A 54 -11.378 -13.217 2.180 1.00 72.14 H new ATOM 0 HE2 LYS A 54 -10.995 -15.799 3.117 1.00 51.31 H new ATOM 0 HE3 LYS A 54 -12.335 -15.250 4.106 1.00 51.31 H new ATOM 0 HZ1 LYS A 54 -13.251 -16.193 2.165 1.00 33.31 H new ATOM 0 HZ2 LYS A 54 -13.424 -14.514 1.979 1.00 33.31 H new ATOM 0 HZ3 LYS A 54 -12.200 -15.340 1.140 1.00 33.31 H new ATOM 819 N SER A 55 -9.813 -12.497 8.225 1.00 41.32 N ATOM 820 CA SER A 55 -9.300 -12.594 9.586 1.00 25.31 C ATOM 821 C SER A 55 -7.817 -12.953 9.583 1.00 5.31 C ATOM 822 O SER A 55 -7.297 -13.502 10.553 1.00 31.34 O ATOM 823 CB SER A 55 -10.087 -13.641 10.377 1.00 50.31 C ATOM 824 OG SER A 55 -11.238 -13.069 10.974 1.00 1.12 O ATOM 0 H SER A 55 -10.246 -11.601 8.000 1.00 41.32 H new ATOM 0 HA SER A 55 -9.420 -11.622 10.063 1.00 25.31 H new ATOM 0 HB2 SER A 55 -10.383 -14.455 9.715 1.00 50.31 H new ATOM 0 HB3 SER A 55 -9.450 -14.073 11.149 1.00 50.31 H new ATOM 0 HG SER A 55 -11.725 -13.758 11.472 1.00 1.12 H new ATOM 830 N GLY A 56 -7.140 -12.637 8.483 1.00 41.41 N ATOM 831 CA GLY A 56 -5.723 -12.932 8.373 1.00 74.34 C ATOM 832 C GLY A 56 -5.451 -14.157 7.522 1.00 33.21 C ATOM 833 O GLY A 56 -4.620 -14.120 6.614 1.00 13.44 O ATOM 0 H GLY A 56 -7.548 -12.182 7.666 1.00 41.41 H new ATOM 0 HA2 GLY A 56 -5.208 -12.073 7.943 1.00 74.34 H new ATOM 0 HA3 GLY A 56 -5.308 -13.086 9.369 1.00 74.34 H new ATOM 837 N PHE A 57 -6.152 -15.247 7.816 1.00 22.44 N ATOM 838 CA PHE A 57 -5.980 -16.490 7.074 1.00 64.44 C ATOM 839 C PHE A 57 -6.728 -16.438 5.745 1.00 61.02 C ATOM 840 O PHE A 57 -7.959 -16.411 5.714 1.00 24.22 O ATOM 841 CB PHE A 57 -6.473 -17.678 7.903 1.00 1.32 C ATOM 842 CG PHE A 57 -5.623 -17.962 9.108 1.00 4.53 C ATOM 843 CD1 PHE A 57 -4.316 -18.399 8.963 1.00 31.32 C ATOM 844 CD2 PHE A 57 -6.130 -17.791 10.386 1.00 11.03 C ATOM 845 CE1 PHE A 57 -3.531 -18.661 10.070 1.00 23.11 C ATOM 846 CE2 PHE A 57 -5.349 -18.051 11.497 1.00 54.32 C ATOM 847 CZ PHE A 57 -4.049 -18.487 11.339 1.00 64.54 C ATOM 0 H PHE A 57 -6.845 -15.294 8.563 1.00 22.44 H new ATOM 0 HA PHE A 57 -4.917 -16.616 6.869 1.00 64.44 H new ATOM 0 HB2 PHE A 57 -7.496 -17.485 8.227 1.00 1.32 H new ATOM 0 HB3 PHE A 57 -6.501 -18.565 7.271 1.00 1.32 H new ATOM 0 HD1 PHE A 57 -3.906 -18.536 7.973 1.00 31.32 H new ATOM 0 HD2 PHE A 57 -7.147 -17.451 10.516 1.00 11.03 H new ATOM 0 HE1 PHE A 57 -2.514 -19.001 9.943 1.00 23.11 H new ATOM 0 HE2 PHE A 57 -5.756 -17.913 12.488 1.00 54.32 H new ATOM 0 HZ PHE A 57 -3.438 -18.692 12.206 1.00 64.54 H new ATOM 857 N ILE A 58 -5.976 -16.423 4.649 1.00 21.25 N ATOM 858 CA ILE A 58 -6.567 -16.374 3.318 1.00 33.41 C ATOM 859 C ILE A 58 -6.951 -17.769 2.836 1.00 75.11 C ATOM 860 O ILE A 58 -6.103 -18.534 2.378 1.00 3.45 O ATOM 861 CB ILE A 58 -5.605 -15.738 2.298 1.00 54.42 C ATOM 862 CG1 ILE A 58 -5.485 -14.233 2.548 1.00 25.03 C ATOM 863 CG2 ILE A 58 -6.084 -16.007 0.879 1.00 61.10 C ATOM 864 CD1 ILE A 58 -4.515 -13.541 1.615 1.00 34.14 C ATOM 0 H ILE A 58 -4.956 -16.444 4.657 1.00 21.25 H new ATOM 0 HA ILE A 58 -7.463 -15.758 3.393 1.00 33.41 H new ATOM 0 HB ILE A 58 -4.620 -16.188 2.420 1.00 54.42 H new ATOM 0 HG12 ILE A 58 -6.469 -13.776 2.441 1.00 25.03 H new ATOM 0 HG13 ILE A 58 -5.167 -14.068 3.577 1.00 25.03 H new ATOM 0 HG21 ILE A 58 -5.394 -15.551 0.169 1.00 61.10 H new ATOM 0 HG22 ILE A 58 -6.124 -17.082 0.706 1.00 61.10 H new ATOM 0 HG23 ILE A 58 -7.078 -15.580 0.743 1.00 61.10 H new ATOM 0 HD11 ILE A 58 -4.481 -12.477 1.850 1.00 34.14 H new ATOM 0 HD12 ILE A 58 -3.521 -13.972 1.738 1.00 34.14 H new ATOM 0 HD13 ILE A 58 -4.843 -13.675 0.584 1.00 34.14 H new ATOM 876 N GLU A 59 -8.237 -18.092 2.940 1.00 22.43 N ATOM 877 CA GLU A 59 -8.733 -19.395 2.513 1.00 32.34 C ATOM 878 C GLU A 59 -8.703 -19.517 0.993 1.00 73.44 C ATOM 879 O GLU A 59 -8.498 -18.532 0.285 1.00 12.11 O ATOM 880 CB GLU A 59 -10.158 -19.616 3.026 1.00 41.11 C ATOM 881 CG GLU A 59 -11.038 -18.382 2.927 1.00 54.55 C ATOM 882 CD GLU A 59 -12.517 -18.716 2.950 1.00 72.44 C ATOM 883 OE1 GLU A 59 -12.864 -19.890 2.702 1.00 13.02 O ATOM 884 OE2 GLU A 59 -13.327 -17.804 3.215 1.00 13.25 O ATOM 0 H GLU A 59 -8.953 -17.470 3.316 1.00 22.43 H new ATOM 0 HA GLU A 59 -8.080 -20.160 2.934 1.00 32.34 H new ATOM 0 HB2 GLU A 59 -10.618 -20.426 2.460 1.00 41.11 H new ATOM 0 HB3 GLU A 59 -10.115 -19.939 4.066 1.00 41.11 H new ATOM 0 HG2 GLU A 59 -10.808 -17.710 3.754 1.00 54.55 H new ATOM 0 HG3 GLU A 59 -10.805 -17.847 2.007 1.00 54.55 H new ATOM 891 N GLU A 60 -8.909 -20.734 0.498 1.00 21.23 N ATOM 892 CA GLU A 60 -8.904 -20.985 -0.938 1.00 70.31 C ATOM 893 C GLU A 60 -9.814 -20.000 -1.666 1.00 35.23 C ATOM 894 O GLU A 60 -9.601 -19.692 -2.838 1.00 32.42 O ATOM 895 CB GLU A 60 -9.350 -22.420 -1.229 1.00 53.31 C ATOM 896 CG GLU A 60 -9.096 -22.857 -2.662 1.00 20.53 C ATOM 897 CD GLU A 60 -10.256 -22.536 -3.584 1.00 64.25 C ATOM 898 OE1 GLU A 60 -11.402 -22.895 -3.243 1.00 21.33 O ATOM 899 OE2 GLU A 60 -10.017 -21.927 -4.648 1.00 12.42 O ATOM 0 H GLU A 60 -9.081 -21.561 1.070 1.00 21.23 H new ATOM 0 HA GLU A 60 -7.885 -20.848 -1.301 1.00 70.31 H new ATOM 0 HB2 GLU A 60 -8.828 -23.098 -0.553 1.00 53.31 H new ATOM 0 HB3 GLU A 60 -10.414 -22.512 -1.013 1.00 53.31 H new ATOM 0 HG2 GLU A 60 -8.196 -22.367 -3.033 1.00 20.53 H new ATOM 0 HG3 GLU A 60 -8.907 -23.930 -2.682 1.00 20.53 H new ATOM 906 N GLU A 61 -10.830 -19.511 -0.961 1.00 41.42 N ATOM 907 CA GLU A 61 -11.774 -18.562 -1.541 1.00 5.25 C ATOM 908 C GLU A 61 -11.045 -17.346 -2.106 1.00 2.14 C ATOM 909 O GLU A 61 -11.065 -17.103 -3.312 1.00 22.42 O ATOM 910 CB GLU A 61 -12.793 -18.116 -0.490 1.00 60.40 C ATOM 911 CG GLU A 61 -13.750 -19.217 -0.065 1.00 60.53 C ATOM 912 CD GLU A 61 -14.779 -18.740 0.941 1.00 22.12 C ATOM 913 OE1 GLU A 61 -14.884 -17.512 1.144 1.00 73.23 O ATOM 914 OE2 GLU A 61 -15.478 -19.594 1.526 1.00 3.52 O ATOM 0 H GLU A 61 -11.020 -19.756 0.011 1.00 41.42 H new ATOM 0 HA GLU A 61 -12.298 -19.061 -2.356 1.00 5.25 H new ATOM 0 HB2 GLU A 61 -12.261 -17.750 0.388 1.00 60.40 H new ATOM 0 HB3 GLU A 61 -13.368 -17.279 -0.886 1.00 60.40 H new ATOM 0 HG2 GLU A 61 -14.262 -19.608 -0.945 1.00 60.53 H new ATOM 0 HG3 GLU A 61 -13.181 -20.041 0.366 1.00 60.53 H new ATOM 921 N GLU A 62 -10.403 -16.585 -1.224 1.00 71.41 N ATOM 922 CA GLU A 62 -9.669 -15.394 -1.635 1.00 74.20 C ATOM 923 C GLU A 62 -8.339 -15.770 -2.281 1.00 71.32 C ATOM 924 O GLU A 62 -7.762 -14.990 -3.040 1.00 24.24 O ATOM 925 CB GLU A 62 -9.424 -14.479 -0.433 1.00 74.23 C ATOM 926 CG GLU A 62 -10.235 -13.195 -0.471 1.00 53.30 C ATOM 927 CD GLU A 62 -11.718 -13.435 -0.265 1.00 13.31 C ATOM 928 OE1 GLU A 62 -12.196 -14.533 -0.619 1.00 24.21 O ATOM 929 OE2 GLU A 62 -12.401 -12.525 0.250 1.00 53.13 O ATOM 0 H GLU A 62 -10.377 -16.772 -0.222 1.00 71.41 H new ATOM 0 HA GLU A 62 -10.273 -14.862 -2.371 1.00 74.20 H new ATOM 0 HB2 GLU A 62 -9.662 -15.022 0.481 1.00 74.23 H new ATOM 0 HB3 GLU A 62 -8.364 -14.228 -0.388 1.00 74.23 H new ATOM 0 HG2 GLU A 62 -9.870 -12.516 0.300 1.00 53.30 H new ATOM 0 HG3 GLU A 62 -10.081 -12.700 -1.430 1.00 53.30 H new ATOM 936 N LEU A 63 -7.858 -16.970 -1.975 1.00 72.34 N ATOM 937 CA LEU A 63 -6.595 -17.451 -2.525 1.00 75.33 C ATOM 938 C LEU A 63 -6.657 -17.525 -4.048 1.00 34.15 C ATOM 939 O LEU A 63 -5.630 -17.476 -4.723 1.00 24.25 O ATOM 940 CB LEU A 63 -6.257 -18.828 -1.950 1.00 15.21 C ATOM 941 CG LEU A 63 -4.789 -19.246 -2.028 1.00 43.31 C ATOM 942 CD1 LEU A 63 -3.949 -18.431 -1.056 1.00 74.01 C ATOM 943 CD2 LEU A 63 -4.642 -20.734 -1.745 1.00 43.32 C ATOM 0 H LEU A 63 -8.323 -17.628 -1.349 1.00 72.34 H new ATOM 0 HA LEU A 63 -5.813 -16.745 -2.245 1.00 75.33 H new ATOM 0 HB2 LEU A 63 -6.565 -18.848 -0.905 1.00 15.21 H new ATOM 0 HB3 LEU A 63 -6.855 -19.575 -2.473 1.00 15.21 H new ATOM 0 HG LEU A 63 -4.429 -19.052 -3.038 1.00 43.31 H new ATOM 0 HD11 LEU A 63 -2.907 -18.743 -1.126 1.00 74.01 H new ATOM 0 HD12 LEU A 63 -4.029 -17.373 -1.305 1.00 74.01 H new ATOM 0 HD13 LEU A 63 -4.309 -18.593 -0.040 1.00 74.01 H new ATOM 0 HD21 LEU A 63 -3.590 -21.014 -1.805 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -5.019 -20.953 -0.746 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -5.211 -21.302 -2.481 1.00 43.32 H new ATOM 955 N GLN A 64 -7.870 -17.641 -4.580 1.00 45.24 N ATOM 956 CA GLN A 64 -8.065 -17.720 -6.023 1.00 42.53 C ATOM 957 C GLN A 64 -7.899 -16.349 -6.671 1.00 5.34 C ATOM 958 O GLN A 64 -8.125 -16.185 -7.870 1.00 75.23 O ATOM 959 CB GLN A 64 -9.451 -18.282 -6.342 1.00 31.34 C ATOM 960 CG GLN A 64 -10.557 -17.240 -6.292 1.00 22.33 C ATOM 961 CD GLN A 64 -11.939 -17.859 -6.216 1.00 43.13 C ATOM 962 OE1 GLN A 64 -12.814 -17.553 -7.027 1.00 4.11 O ATOM 963 NE2 GLN A 64 -12.143 -18.735 -5.240 1.00 22.33 N ATOM 0 H GLN A 64 -8.731 -17.682 -4.034 1.00 45.24 H new ATOM 0 HA GLN A 64 -7.307 -18.389 -6.430 1.00 42.53 H new ATOM 0 HB2 GLN A 64 -9.432 -18.732 -7.335 1.00 31.34 H new ATOM 0 HB3 GLN A 64 -9.682 -19.079 -5.635 1.00 31.34 H new ATOM 0 HG2 GLN A 64 -10.404 -16.595 -5.427 1.00 22.33 H new ATOM 0 HG3 GLN A 64 -10.495 -16.607 -7.177 1.00 22.33 H new ATOM 0 HE21 GLN A 64 -11.389 -18.959 -4.590 1.00 22.33 H new ATOM 0 HE22 GLN A 64 -13.053 -19.184 -5.140 1.00 22.33 H new ATOM 972 N LEU A 65 -7.502 -15.366 -5.870 1.00 24.03 N ATOM 973 CA LEU A 65 -7.305 -14.008 -6.364 1.00 50.25 C ATOM 974 C LEU A 65 -5.829 -13.624 -6.331 1.00 70.53 C ATOM 975 O LEU A 65 -5.483 -12.443 -6.356 1.00 61.21 O ATOM 976 CB LEU A 65 -8.120 -13.017 -5.531 1.00 22.32 C ATOM 977 CG LEU A 65 -9.540 -13.454 -5.169 1.00 1.52 C ATOM 978 CD1 LEU A 65 -10.178 -12.455 -4.215 1.00 72.44 C ATOM 979 CD2 LEU A 65 -10.386 -13.611 -6.424 1.00 42.20 C ATOM 0 H LEU A 65 -7.310 -15.484 -4.875 1.00 24.03 H new ATOM 0 HA LEU A 65 -7.648 -13.972 -7.398 1.00 50.25 H new ATOM 0 HB2 LEU A 65 -7.577 -12.816 -4.608 1.00 22.32 H new ATOM 0 HB3 LEU A 65 -8.179 -12.076 -6.078 1.00 22.32 H new ATOM 0 HG LEU A 65 -9.486 -14.421 -4.668 1.00 1.52 H new ATOM 0 HD11 LEU A 65 -11.188 -12.782 -3.968 1.00 72.44 H new ATOM 0 HD12 LEU A 65 -9.584 -12.392 -3.303 1.00 72.44 H new ATOM 0 HD13 LEU A 65 -10.220 -11.474 -4.689 1.00 72.44 H new ATOM 0 HD21 LEU A 65 -11.393 -13.922 -6.147 1.00 42.20 H new ATOM 0 HD22 LEU A 65 -10.433 -12.659 -6.953 1.00 42.20 H new ATOM 0 HD23 LEU A 65 -9.939 -14.364 -7.072 1.00 42.20 H new ATOM 991 N PHE A 66 -4.963 -14.631 -6.277 1.00 42.23 N ATOM 992 CA PHE A 66 -3.523 -14.399 -6.242 1.00 74.52 C ATOM 993 C PHE A 66 -3.043 -13.765 -7.544 1.00 63.11 C ATOM 994 O PHE A 66 -2.029 -13.066 -7.570 1.00 63.22 O ATOM 995 CB PHE A 66 -2.780 -15.714 -5.997 1.00 60.24 C ATOM 996 CG PHE A 66 -1.285 -15.574 -6.038 1.00 71.11 C ATOM 997 CD1 PHE A 66 -0.576 -15.236 -4.897 1.00 14.53 C ATOM 998 CD2 PHE A 66 -0.589 -15.780 -7.218 1.00 24.40 C ATOM 999 CE1 PHE A 66 0.799 -15.106 -4.931 1.00 23.25 C ATOM 1000 CE2 PHE A 66 0.787 -15.653 -7.258 1.00 10.12 C ATOM 1001 CZ PHE A 66 1.482 -15.314 -6.113 1.00 73.21 C ATOM 0 H PHE A 66 -5.233 -15.614 -6.257 1.00 42.23 H new ATOM 0 HA PHE A 66 -3.310 -13.711 -5.424 1.00 74.52 H new ATOM 0 HB2 PHE A 66 -3.073 -16.112 -5.026 1.00 60.24 H new ATOM 0 HB3 PHE A 66 -3.090 -16.442 -6.747 1.00 60.24 H new ATOM 0 HD1 PHE A 66 -1.105 -15.072 -3.970 1.00 14.53 H new ATOM 0 HD2 PHE A 66 -1.127 -16.043 -8.117 1.00 24.40 H new ATOM 0 HE1 PHE A 66 1.339 -14.842 -4.034 1.00 23.25 H new ATOM 0 HE2 PHE A 66 1.318 -15.819 -8.184 1.00 10.12 H new ATOM 0 HZ PHE A 66 2.557 -15.212 -6.142 1.00 73.21 H new ATOM 1011 N LEU A 67 -3.777 -14.014 -8.623 1.00 21.03 N ATOM 1012 CA LEU A 67 -3.427 -13.468 -9.929 1.00 65.35 C ATOM 1013 C LEU A 67 -3.854 -12.008 -10.042 1.00 61.43 C ATOM 1014 O LEU A 67 -3.359 -11.269 -10.893 1.00 62.02 O ATOM 1015 CB LEU A 67 -4.082 -14.291 -11.040 1.00 51.21 C ATOM 1016 CG LEU A 67 -3.300 -15.513 -11.521 1.00 23.40 C ATOM 1017 CD1 LEU A 67 -4.123 -16.317 -12.516 1.00 12.15 C ATOM 1018 CD2 LEU A 67 -1.976 -15.090 -12.141 1.00 12.51 C ATOM 0 H LEU A 67 -4.618 -14.591 -8.619 1.00 21.03 H new ATOM 0 HA LEU A 67 -2.344 -13.519 -10.038 1.00 65.35 H new ATOM 0 HB2 LEU A 67 -5.059 -14.625 -10.690 1.00 51.21 H new ATOM 0 HB3 LEU A 67 -4.256 -13.637 -11.894 1.00 51.21 H new ATOM 0 HG LEU A 67 -3.089 -16.146 -10.659 1.00 23.40 H new ATOM 0 HD11 LEU A 67 -3.549 -17.183 -12.847 1.00 12.15 H new ATOM 0 HD12 LEU A 67 -5.044 -16.652 -12.039 1.00 12.15 H new ATOM 0 HD13 LEU A 67 -4.366 -15.693 -13.376 1.00 12.15 H new ATOM 0 HD21 LEU A 67 -1.433 -15.973 -12.478 1.00 12.51 H new ATOM 0 HD22 LEU A 67 -2.165 -14.435 -12.991 1.00 12.51 H new ATOM 0 HD23 LEU A 67 -1.380 -14.559 -11.399 1.00 12.51 H new ATOM 1030 N LYS A 68 -4.775 -11.599 -9.177 1.00 52.50 N ATOM 1031 CA LYS A 68 -5.268 -10.226 -9.176 1.00 22.21 C ATOM 1032 C LYS A 68 -4.344 -9.317 -8.372 1.00 63.11 C ATOM 1033 O LYS A 68 -4.383 -8.096 -8.513 1.00 51.40 O ATOM 1034 CB LYS A 68 -6.684 -10.171 -8.598 1.00 62.30 C ATOM 1035 CG LYS A 68 -7.525 -11.390 -8.933 1.00 73.44 C ATOM 1036 CD LYS A 68 -8.984 -11.020 -9.146 1.00 24.25 C ATOM 1037 CE LYS A 68 -9.210 -10.413 -10.521 1.00 50.15 C ATOM 1038 NZ LYS A 68 -10.579 -10.697 -11.035 1.00 24.30 N ATOM 0 H LYS A 68 -5.196 -12.198 -8.467 1.00 52.50 H new ATOM 0 HA LYS A 68 -5.289 -9.873 -10.207 1.00 22.21 H new ATOM 0 HB2 LYS A 68 -6.621 -10.070 -7.515 1.00 62.30 H new ATOM 0 HB3 LYS A 68 -7.186 -9.279 -8.973 1.00 62.30 H new ATOM 0 HG2 LYS A 68 -7.135 -11.866 -9.832 1.00 73.44 H new ATOM 0 HG3 LYS A 68 -7.448 -12.119 -8.127 1.00 73.44 H new ATOM 0 HD2 LYS A 68 -9.606 -11.908 -9.033 1.00 24.25 H new ATOM 0 HD3 LYS A 68 -9.297 -10.312 -8.379 1.00 24.25 H new ATOM 0 HE2 LYS A 68 -9.057 -9.335 -10.472 1.00 50.15 H new ATOM 0 HE3 LYS A 68 -8.471 -10.808 -11.218 1.00 50.15 H new ATOM 0 HZ1 LYS A 68 -10.705 -10.238 -11.960 1.00 24.30 H new ATOM 0 HZ2 LYS A 68 -10.705 -11.724 -11.139 1.00 24.30 H new ATOM 0 HZ3 LYS A 68 -11.285 -10.328 -10.366 1.00 24.30 H new ATOM 1052 N ASN A 69 -3.512 -9.922 -7.530 1.00 41.21 N ATOM 1053 CA ASN A 69 -2.577 -9.166 -6.705 1.00 1.05 C ATOM 1054 C ASN A 69 -1.288 -8.878 -7.468 1.00 4.34 C ATOM 1055 O ASN A 69 -0.364 -8.261 -6.936 1.00 63.33 O ATOM 1056 CB ASN A 69 -2.261 -9.935 -5.420 1.00 74.21 C ATOM 1057 CG ASN A 69 -3.509 -10.269 -4.625 1.00 62.41 C ATOM 1058 OD1 ASN A 69 -3.745 -11.426 -4.277 1.00 72.41 O ATOM 1059 ND2 ASN A 69 -4.314 -9.255 -4.334 1.00 53.52 N ATOM 0 H ASN A 69 -3.466 -10.933 -7.401 1.00 41.21 H new ATOM 0 HA ASN A 69 -3.045 -8.216 -6.447 1.00 1.05 H new ATOM 0 HB2 ASN A 69 -1.736 -10.857 -5.671 1.00 74.21 H new ATOM 0 HB3 ASN A 69 -1.587 -9.342 -4.801 1.00 74.21 H new ATOM 0 HD21 ASN A 69 -5.168 -9.419 -3.801 1.00 53.52 H new ATOM 0 HD22 ASN A 69 -4.078 -8.312 -4.643 1.00 53.52 H new ATOM 1066 N PHE A 70 -1.233 -9.327 -8.717 1.00 21.21 N ATOM 1067 CA PHE A 70 -0.057 -9.118 -9.554 1.00 31.22 C ATOM 1068 C PHE A 70 -0.458 -8.628 -10.942 1.00 42.21 C ATOM 1069 O PHE A 70 0.188 -7.748 -11.512 1.00 20.41 O ATOM 1070 CB PHE A 70 0.749 -10.414 -9.671 1.00 54.30 C ATOM 1071 CG PHE A 70 1.382 -10.845 -8.379 1.00 41.42 C ATOM 1072 CD1 PHE A 70 0.606 -11.338 -7.343 1.00 22.14 C ATOM 1073 CD2 PHE A 70 2.753 -10.757 -8.202 1.00 4.25 C ATOM 1074 CE1 PHE A 70 1.187 -11.734 -6.153 1.00 33.54 C ATOM 1075 CE2 PHE A 70 3.340 -11.152 -7.014 1.00 34.22 C ATOM 1076 CZ PHE A 70 2.555 -11.643 -5.988 1.00 41.44 C ATOM 0 H PHE A 70 -1.989 -9.838 -9.172 1.00 21.21 H new ATOM 0 HA PHE A 70 0.562 -8.355 -9.083 1.00 31.22 H new ATOM 0 HB2 PHE A 70 0.094 -11.209 -10.028 1.00 54.30 H new ATOM 0 HB3 PHE A 70 1.528 -10.281 -10.422 1.00 54.30 H new ATOM 0 HD1 PHE A 70 -0.464 -11.414 -7.466 1.00 22.14 H new ATOM 0 HD2 PHE A 70 3.371 -10.375 -9.001 1.00 4.25 H new ATOM 0 HE1 PHE A 70 0.571 -12.115 -5.352 1.00 33.54 H new ATOM 0 HE2 PHE A 70 4.410 -11.077 -6.888 1.00 34.22 H new ATOM 0 HZ PHE A 70 3.010 -11.955 -5.060 1.00 41.44 H new ATOM 1086 N SER A 71 -1.528 -9.204 -11.481 1.00 2.15 N ATOM 1087 CA SER A 71 -2.013 -8.830 -12.804 1.00 11.53 C ATOM 1088 C SER A 71 -3.332 -8.069 -12.704 1.00 20.14 C ATOM 1089 O SER A 71 -4.026 -8.139 -11.689 1.00 72.25 O ATOM 1090 CB SER A 71 -2.194 -10.074 -13.675 1.00 22.12 C ATOM 1091 OG SER A 71 -2.025 -9.765 -15.047 1.00 53.34 O ATOM 0 H SER A 71 -2.075 -9.932 -11.021 1.00 2.15 H new ATOM 0 HA SER A 71 -1.271 -8.178 -13.265 1.00 11.53 H new ATOM 0 HB2 SER A 71 -1.474 -10.837 -13.379 1.00 22.12 H new ATOM 0 HB3 SER A 71 -3.187 -10.494 -13.513 1.00 22.12 H new ATOM 0 HG SER A 71 -2.144 -10.577 -15.582 1.00 53.34 H new ATOM 1097 N SER A 72 -3.671 -7.342 -13.764 1.00 23.43 N ATOM 1098 CA SER A 72 -4.904 -6.565 -13.795 1.00 71.11 C ATOM 1099 C SER A 72 -5.827 -7.056 -14.906 1.00 52.45 C ATOM 1100 O SER A 72 -6.935 -6.547 -15.078 1.00 42.12 O ATOM 1101 CB SER A 72 -4.591 -5.081 -13.994 1.00 54.22 C ATOM 1102 OG SER A 72 -5.664 -4.269 -13.547 1.00 64.31 O ATOM 0 H SER A 72 -3.109 -7.275 -14.612 1.00 23.43 H new ATOM 0 HA SER A 72 -5.412 -6.697 -12.840 1.00 71.11 H new ATOM 0 HB2 SER A 72 -3.683 -4.821 -13.450 1.00 54.22 H new ATOM 0 HB3 SER A 72 -4.397 -4.885 -15.049 1.00 54.22 H new ATOM 0 HG SER A 72 -6.512 -4.645 -13.862 1.00 64.31 H new ATOM 1108 N SER A 73 -5.362 -8.048 -15.659 1.00 1.32 N ATOM 1109 CA SER A 73 -6.143 -8.606 -16.757 1.00 1.53 C ATOM 1110 C SER A 73 -6.688 -9.982 -16.390 1.00 74.55 C ATOM 1111 O SER A 73 -7.734 -10.400 -16.888 1.00 22.35 O ATOM 1112 CB SER A 73 -5.287 -8.703 -18.021 1.00 72.21 C ATOM 1113 OG SER A 73 -6.083 -9.012 -19.153 1.00 4.24 O ATOM 0 H SER A 73 -4.448 -8.482 -15.529 1.00 1.32 H new ATOM 0 HA SER A 73 -6.985 -7.940 -16.948 1.00 1.53 H new ATOM 0 HB2 SER A 73 -4.767 -7.759 -18.185 1.00 72.21 H new ATOM 0 HB3 SER A 73 -4.523 -9.470 -17.889 1.00 72.21 H new ATOM 0 HG SER A 73 -5.513 -9.067 -19.948 1.00 4.24 H new ATOM 1119 N ALA A 74 -5.972 -10.683 -15.517 1.00 41.23 N ATOM 1120 CA ALA A 74 -6.384 -12.011 -15.082 1.00 61.51 C ATOM 1121 C ALA A 74 -7.764 -11.974 -14.436 1.00 15.15 C ATOM 1122 O ALA A 74 -8.429 -10.937 -14.428 1.00 63.40 O ATOM 1123 CB ALA A 74 -5.362 -12.591 -14.115 1.00 42.24 C ATOM 0 H ALA A 74 -5.103 -10.353 -15.097 1.00 41.23 H new ATOM 0 HA ALA A 74 -6.441 -12.652 -15.962 1.00 61.51 H new ATOM 0 HB1 ALA A 74 -5.683 -13.583 -13.798 1.00 42.24 H new ATOM 0 HB2 ALA A 74 -4.393 -12.664 -14.610 1.00 42.24 H new ATOM 0 HB3 ALA A 74 -5.277 -11.942 -13.243 1.00 42.24 H new ATOM 1129 N ARG A 75 -8.190 -13.111 -13.894 1.00 55.54 N ATOM 1130 CA ARG A 75 -9.493 -13.207 -13.247 1.00 72.41 C ATOM 1131 C ARG A 75 -9.376 -13.897 -11.891 1.00 15.22 C ATOM 1132 O ARG A 75 -9.515 -13.261 -10.846 1.00 33.54 O ATOM 1133 CB ARG A 75 -10.473 -13.973 -14.138 1.00 33.12 C ATOM 1134 CG ARG A 75 -9.796 -14.926 -15.110 1.00 15.15 C ATOM 1135 CD ARG A 75 -10.694 -16.105 -15.450 1.00 32.22 C ATOM 1136 NE ARG A 75 -10.205 -17.352 -14.867 1.00 43.30 N ATOM 1137 CZ ARG A 75 -10.595 -18.555 -15.271 1.00 74.23 C ATOM 1138 NH1 ARG A 75 -11.476 -18.674 -16.255 1.00 71.13 N ATOM 1139 NH2 ARG A 75 -10.105 -19.643 -14.691 1.00 65.04 N ATOM 0 H ARG A 75 -7.652 -13.978 -13.890 1.00 55.54 H new ATOM 0 HA ARG A 75 -9.869 -12.196 -13.090 1.00 72.41 H new ATOM 0 HB2 ARG A 75 -11.159 -14.538 -13.507 1.00 33.12 H new ATOM 0 HB3 ARG A 75 -11.073 -13.259 -14.701 1.00 33.12 H new ATOM 0 HG2 ARG A 75 -9.534 -14.391 -16.023 1.00 15.15 H new ATOM 0 HG3 ARG A 75 -8.865 -15.290 -14.676 1.00 15.15 H new ATOM 0 HD2 ARG A 75 -11.703 -15.908 -15.089 1.00 32.22 H new ATOM 0 HD3 ARG A 75 -10.758 -16.212 -16.533 1.00 32.22 H new ATOM 0 HE ARG A 75 -9.526 -17.295 -14.108 1.00 43.30 H new ATOM 0 HH11 ARG A 75 -11.856 -17.840 -16.703 1.00 71.13 H new ATOM 0 HH12 ARG A 75 -11.774 -19.599 -16.564 1.00 71.13 H new ATOM 0 HH21 ARG A 75 -9.428 -19.556 -13.933 1.00 65.04 H new ATOM 0 HH22 ARG A 75 -10.406 -20.566 -15.003 1.00 65.04 H new ATOM 1153 N VAL A 76 -9.121 -15.201 -11.916 1.00 21.12 N ATOM 1154 CA VAL A 76 -8.985 -15.977 -10.689 1.00 20.11 C ATOM 1155 C VAL A 76 -8.275 -17.301 -10.952 1.00 15.44 C ATOM 1156 O VAL A 76 -8.359 -17.856 -12.048 1.00 15.11 O ATOM 1157 CB VAL A 76 -10.357 -16.261 -10.049 1.00 51.23 C ATOM 1158 CG1 VAL A 76 -10.817 -15.071 -9.221 1.00 41.54 C ATOM 1159 CG2 VAL A 76 -11.382 -16.604 -11.119 1.00 74.53 C ATOM 0 H VAL A 76 -9.004 -15.742 -12.773 1.00 21.12 H new ATOM 0 HA VAL A 76 -8.389 -15.378 -10.001 1.00 20.11 H new ATOM 0 HB VAL A 76 -10.258 -17.119 -9.384 1.00 51.23 H new ATOM 0 HG11 VAL A 76 -11.788 -15.290 -8.777 1.00 41.54 H new ATOM 0 HG12 VAL A 76 -10.092 -14.876 -8.431 1.00 41.54 H new ATOM 0 HG13 VAL A 76 -10.901 -14.193 -9.861 1.00 41.54 H new ATOM 0 HG21 VAL A 76 -12.346 -16.802 -10.650 1.00 74.53 H new ATOM 0 HG22 VAL A 76 -11.480 -15.767 -11.810 1.00 74.53 H new ATOM 0 HG23 VAL A 76 -11.056 -17.489 -11.665 1.00 74.53 H new ATOM 1169 N LEU A 77 -7.577 -17.802 -9.939 1.00 61.11 N ATOM 1170 CA LEU A 77 -6.852 -19.062 -10.060 1.00 31.45 C ATOM 1171 C LEU A 77 -7.773 -20.176 -10.548 1.00 50.34 C ATOM 1172 O LEU A 77 -8.996 -20.034 -10.538 1.00 74.41 O ATOM 1173 CB LEU A 77 -6.235 -19.449 -8.714 1.00 71.13 C ATOM 1174 CG LEU A 77 -5.305 -18.414 -8.080 1.00 35.02 C ATOM 1175 CD1 LEU A 77 -4.440 -19.059 -7.009 1.00 21.42 C ATOM 1176 CD2 LEU A 77 -4.439 -17.753 -9.142 1.00 61.41 C ATOM 0 H LEU A 77 -7.498 -17.356 -9.025 1.00 61.11 H new ATOM 0 HA LEU A 77 -6.057 -18.926 -10.793 1.00 31.45 H new ATOM 0 HB2 LEU A 77 -7.043 -19.659 -8.013 1.00 71.13 H new ATOM 0 HB3 LEU A 77 -5.678 -20.377 -8.846 1.00 71.13 H new ATOM 0 HG LEU A 77 -5.917 -17.645 -7.609 1.00 35.02 H new ATOM 0 HD11 LEU A 77 -3.785 -18.307 -6.569 1.00 21.42 H new ATOM 0 HD12 LEU A 77 -5.077 -19.483 -6.233 1.00 21.42 H new ATOM 0 HD13 LEU A 77 -3.837 -19.849 -7.456 1.00 21.42 H new ATOM 0 HD21 LEU A 77 -3.784 -17.019 -8.672 1.00 61.41 H new ATOM 0 HD22 LEU A 77 -3.836 -18.510 -9.643 1.00 61.41 H new ATOM 0 HD23 LEU A 77 -5.076 -17.255 -9.873 1.00 61.41 H new ATOM 1188 N THR A 78 -7.177 -21.285 -10.975 1.00 34.12 N ATOM 1189 CA THR A 78 -7.943 -22.423 -11.466 1.00 74.34 C ATOM 1190 C THR A 78 -7.500 -23.717 -10.792 1.00 52.22 C ATOM 1191 O THR A 78 -6.798 -23.692 -9.781 1.00 72.14 O ATOM 1192 CB THR A 78 -7.802 -22.579 -12.992 1.00 53.44 C ATOM 1193 OG1 THR A 78 -8.809 -23.467 -13.490 1.00 21.34 O ATOM 1194 CG2 THR A 78 -6.424 -23.110 -13.357 1.00 74.20 C ATOM 0 H THR A 78 -6.166 -21.419 -10.991 1.00 34.12 H new ATOM 0 HA THR A 78 -8.988 -22.229 -11.223 1.00 74.34 H new ATOM 0 HB THR A 78 -7.928 -21.597 -13.448 1.00 53.44 H new ATOM 0 HG1 THR A 78 -8.713 -23.559 -14.461 1.00 21.34 H new ATOM 0 HG21 THR A 78 -6.348 -23.212 -14.440 1.00 74.20 H new ATOM 0 HG22 THR A 78 -5.661 -22.416 -13.004 1.00 74.20 H new ATOM 0 HG23 THR A 78 -6.274 -24.083 -12.890 1.00 74.20 H new ATOM 1202 N SER A 79 -7.914 -24.846 -11.359 1.00 10.24 N ATOM 1203 CA SER A 79 -7.562 -26.150 -10.810 1.00 22.11 C ATOM 1204 C SER A 79 -6.108 -26.495 -11.119 1.00 51.12 C ATOM 1205 O SER A 79 -5.821 -27.506 -11.759 1.00 73.21 O ATOM 1206 CB SER A 79 -8.485 -27.231 -11.375 1.00 15.12 C ATOM 1207 OG SER A 79 -9.815 -26.755 -11.492 1.00 32.20 O ATOM 0 H SER A 79 -8.493 -24.884 -12.198 1.00 10.24 H new ATOM 0 HA SER A 79 -7.685 -26.106 -9.728 1.00 22.11 H new ATOM 0 HB2 SER A 79 -8.122 -27.549 -12.352 1.00 15.12 H new ATOM 0 HB3 SER A 79 -8.464 -28.107 -10.726 1.00 15.12 H new ATOM 0 HG SER A 79 -10.385 -27.464 -11.857 1.00 32.20 H new ATOM 1213 N ALA A 80 -5.195 -25.646 -10.660 1.00 24.13 N ATOM 1214 CA ALA A 80 -3.771 -25.861 -10.885 1.00 5.23 C ATOM 1215 C ALA A 80 -2.939 -24.770 -10.219 1.00 1.21 C ATOM 1216 O ALA A 80 -1.863 -25.036 -9.686 1.00 25.35 O ATOM 1217 CB ALA A 80 -3.474 -25.917 -12.376 1.00 55.21 C ATOM 0 H ALA A 80 -5.416 -24.803 -10.130 1.00 24.13 H new ATOM 0 HA ALA A 80 -3.498 -26.816 -10.435 1.00 5.23 H new ATOM 0 HB1 ALA A 80 -2.407 -26.078 -12.529 1.00 55.21 H new ATOM 0 HB2 ALA A 80 -4.033 -26.737 -12.828 1.00 55.21 H new ATOM 0 HB3 ALA A 80 -3.769 -24.977 -12.841 1.00 55.21 H new ATOM 1223 N GLU A 81 -3.445 -23.541 -10.255 1.00 32.12 N ATOM 1224 CA GLU A 81 -2.747 -22.410 -9.656 1.00 2.04 C ATOM 1225 C GLU A 81 -3.042 -22.318 -8.161 1.00 64.22 C ATOM 1226 O GLU A 81 -2.134 -22.148 -7.346 1.00 51.03 O ATOM 1227 CB GLU A 81 -3.152 -21.107 -10.348 1.00 13.14 C ATOM 1228 CG GLU A 81 -3.030 -21.158 -11.861 1.00 73.13 C ATOM 1229 CD GLU A 81 -3.160 -19.791 -12.504 1.00 12.45 C ATOM 1230 OE1 GLU A 81 -2.127 -19.107 -12.660 1.00 21.40 O ATOM 1231 OE2 GLU A 81 -4.296 -19.404 -12.850 1.00 72.10 O ATOM 0 H GLU A 81 -4.335 -23.304 -10.693 1.00 32.12 H new ATOM 0 HA GLU A 81 -1.676 -22.566 -9.789 1.00 2.04 H new ATOM 0 HB2 GLU A 81 -4.182 -20.870 -10.083 1.00 13.14 H new ATOM 0 HB3 GLU A 81 -2.530 -20.296 -9.969 1.00 13.14 H new ATOM 0 HG2 GLU A 81 -2.067 -21.591 -12.129 1.00 73.13 H new ATOM 0 HG3 GLU A 81 -3.799 -21.818 -12.262 1.00 73.13 H new ATOM 1238 N THR A 82 -4.318 -22.432 -7.808 1.00 12.43 N ATOM 1239 CA THR A 82 -4.734 -22.360 -6.413 1.00 13.12 C ATOM 1240 C THR A 82 -4.261 -23.582 -5.634 1.00 43.12 C ATOM 1241 O THR A 82 -3.943 -23.491 -4.448 1.00 42.33 O ATOM 1242 CB THR A 82 -6.266 -22.248 -6.288 1.00 44.24 C ATOM 1243 OG1 THR A 82 -6.844 -21.992 -7.573 1.00 71.52 O ATOM 1244 CG2 THR A 82 -6.650 -21.136 -5.324 1.00 32.45 C ATOM 0 H THR A 82 -5.082 -22.575 -8.469 1.00 12.43 H new ATOM 0 HA THR A 82 -4.276 -21.465 -5.993 1.00 13.12 H new ATOM 0 HB THR A 82 -6.647 -23.192 -5.899 1.00 44.24 H new ATOM 0 HG1 THR A 82 -6.821 -22.811 -8.111 1.00 71.52 H new ATOM 0 HG21 THR A 82 -7.736 -21.076 -5.252 1.00 32.45 H new ATOM 0 HG22 THR A 82 -6.232 -21.347 -4.340 1.00 32.45 H new ATOM 0 HG23 THR A 82 -6.257 -20.187 -5.689 1.00 32.45 H new ATOM 1252 N LYS A 83 -4.215 -24.726 -6.308 1.00 50.14 N ATOM 1253 CA LYS A 83 -3.778 -25.967 -5.681 1.00 30.41 C ATOM 1254 C LYS A 83 -2.269 -25.963 -5.458 1.00 50.24 C ATOM 1255 O LYS A 83 -1.792 -26.268 -4.366 1.00 35.23 O ATOM 1256 CB LYS A 83 -4.173 -27.167 -6.546 1.00 0.42 C ATOM 1257 CG LYS A 83 -5.656 -27.221 -6.870 1.00 0.15 C ATOM 1258 CD LYS A 83 -6.446 -27.884 -5.754 1.00 14.32 C ATOM 1259 CE LYS A 83 -7.933 -27.925 -6.072 1.00 51.33 C ATOM 1260 NZ LYS A 83 -8.670 -28.845 -5.163 1.00 31.13 N ATOM 0 H LYS A 83 -4.475 -24.819 -7.290 1.00 50.14 H new ATOM 0 HA LYS A 83 -4.270 -26.047 -4.712 1.00 30.41 H new ATOM 0 HB2 LYS A 83 -3.607 -27.135 -7.477 1.00 0.42 H new ATOM 0 HB3 LYS A 83 -3.888 -28.085 -6.031 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -6.031 -26.210 -7.032 1.00 0.15 H new ATOM 0 HG3 LYS A 83 -5.807 -27.770 -7.800 1.00 0.15 H new ATOM 0 HD2 LYS A 83 -6.078 -28.898 -5.599 1.00 14.32 H new ATOM 0 HD3 LYS A 83 -6.287 -27.341 -4.822 1.00 14.32 H new ATOM 0 HE2 LYS A 83 -8.350 -26.921 -5.989 1.00 51.33 H new ATOM 0 HE3 LYS A 83 -8.075 -28.244 -7.105 1.00 51.33 H new ATOM 0 HZ1 LYS A 83 -9.680 -28.844 -5.413 1.00 31.13 H new ATOM 0 HZ2 LYS A 83 -8.290 -29.808 -5.261 1.00 31.13 H new ATOM 0 HZ3 LYS A 83 -8.556 -28.526 -4.180 1.00 31.13 H new ATOM 1274 N ALA A 84 -1.523 -25.613 -6.501 1.00 2.00 N ATOM 1275 CA ALA A 84 -0.068 -25.565 -6.418 1.00 33.24 C ATOM 1276 C ALA A 84 0.393 -24.426 -5.515 1.00 33.13 C ATOM 1277 O ALA A 84 1.573 -24.326 -5.178 1.00 34.44 O ATOM 1278 CB ALA A 84 0.535 -25.418 -7.806 1.00 43.35 C ATOM 0 H ALA A 84 -1.902 -25.359 -7.413 1.00 2.00 H new ATOM 0 HA ALA A 84 0.278 -26.502 -5.981 1.00 33.24 H new ATOM 0 HB1 ALA A 84 1.622 -25.383 -7.729 1.00 43.35 H new ATOM 0 HB2 ALA A 84 0.242 -26.268 -8.422 1.00 43.35 H new ATOM 0 HB3 ALA A 84 0.174 -24.497 -8.264 1.00 43.35 H new ATOM 1284 N PHE A 85 -0.545 -23.568 -5.127 1.00 31.23 N ATOM 1285 CA PHE A 85 -0.234 -22.434 -4.264 1.00 34.52 C ATOM 1286 C PHE A 85 -0.678 -22.705 -2.829 1.00 61.31 C ATOM 1287 O PHE A 85 0.079 -22.488 -1.882 1.00 31.53 O ATOM 1288 CB PHE A 85 -0.912 -21.167 -4.788 1.00 44.41 C ATOM 1289 CG PHE A 85 -0.426 -19.910 -4.124 1.00 54.44 C ATOM 1290 CD1 PHE A 85 0.788 -19.346 -4.482 1.00 54.31 C ATOM 1291 CD2 PHE A 85 -1.184 -19.292 -3.142 1.00 72.14 C ATOM 1292 CE1 PHE A 85 1.237 -18.189 -3.874 1.00 12.24 C ATOM 1293 CE2 PHE A 85 -0.740 -18.135 -2.531 1.00 14.02 C ATOM 1294 CZ PHE A 85 0.472 -17.583 -2.896 1.00 21.31 C ATOM 0 H PHE A 85 -1.526 -23.636 -5.396 1.00 31.23 H new ATOM 0 HA PHE A 85 0.846 -22.290 -4.271 1.00 34.52 H new ATOM 0 HB2 PHE A 85 -0.742 -21.091 -5.862 1.00 44.41 H new ATOM 0 HB3 PHE A 85 -1.989 -21.253 -4.641 1.00 44.41 H new ATOM 0 HD1 PHE A 85 1.390 -19.816 -5.245 1.00 54.31 H new ATOM 0 HD2 PHE A 85 -2.132 -19.719 -2.851 1.00 72.14 H new ATOM 0 HE1 PHE A 85 2.185 -17.759 -4.163 1.00 12.24 H new ATOM 0 HE2 PHE A 85 -1.341 -17.662 -1.768 1.00 14.02 H new ATOM 0 HZ PHE A 85 0.821 -16.680 -2.418 1.00 21.31 H new ATOM 1304 N LEU A 86 -1.909 -23.180 -2.677 1.00 12.24 N ATOM 1305 CA LEU A 86 -2.456 -23.480 -1.358 1.00 25.42 C ATOM 1306 C LEU A 86 -1.742 -24.675 -0.732 1.00 54.23 C ATOM 1307 O LEU A 86 -1.240 -24.593 0.388 1.00 22.20 O ATOM 1308 CB LEU A 86 -3.956 -23.763 -1.458 1.00 4.54 C ATOM 1309 CG LEU A 86 -4.769 -23.526 -0.185 1.00 14.51 C ATOM 1310 CD1 LEU A 86 -6.217 -23.209 -0.528 1.00 21.51 C ATOM 1311 CD2 LEU A 86 -4.689 -24.737 0.733 1.00 50.22 C ATOM 0 H LEU A 86 -2.547 -23.366 -3.450 1.00 12.24 H new ATOM 0 HA LEU A 86 -2.299 -22.610 -0.720 1.00 25.42 H new ATOM 0 HB2 LEU A 86 -4.371 -23.141 -2.251 1.00 4.54 H new ATOM 0 HB3 LEU A 86 -4.090 -24.801 -1.763 1.00 4.54 H new ATOM 0 HG LEU A 86 -4.345 -22.670 0.340 1.00 14.51 H new ATOM 0 HD11 LEU A 86 -6.781 -23.043 0.390 1.00 21.51 H new ATOM 0 HD12 LEU A 86 -6.257 -22.311 -1.145 1.00 21.51 H new ATOM 0 HD13 LEU A 86 -6.653 -24.045 -1.075 1.00 21.51 H new ATOM 0 HD21 LEU A 86 -5.274 -24.550 1.634 1.00 50.22 H new ATOM 0 HD22 LEU A 86 -5.086 -25.611 0.217 1.00 50.22 H new ATOM 0 HD23 LEU A 86 -3.650 -24.918 1.006 1.00 50.22 H new ATOM 1323 N ALA A 87 -1.701 -25.783 -1.465 1.00 42.20 N ATOM 1324 CA ALA A 87 -1.045 -26.993 -0.984 1.00 14.40 C ATOM 1325 C ALA A 87 0.457 -26.779 -0.830 1.00 34.04 C ATOM 1326 O ALA A 87 1.146 -27.583 -0.204 1.00 23.50 O ATOM 1327 CB ALA A 87 -1.321 -28.153 -1.928 1.00 72.33 C ATOM 0 H ALA A 87 -2.114 -25.868 -2.394 1.00 42.20 H new ATOM 0 HA ALA A 87 -1.453 -27.233 -0.002 1.00 14.40 H new ATOM 0 HB1 ALA A 87 -0.825 -29.050 -1.557 1.00 72.33 H new ATOM 0 HB2 ALA A 87 -2.395 -28.329 -1.984 1.00 72.33 H new ATOM 0 HB3 ALA A 87 -0.941 -27.913 -2.921 1.00 72.33 H new ATOM 1333 N ALA A 88 0.957 -25.690 -1.405 1.00 31.33 N ATOM 1334 CA ALA A 88 2.377 -25.371 -1.330 1.00 1.25 C ATOM 1335 C ALA A 88 2.649 -24.327 -0.251 1.00 73.24 C ATOM 1336 O ALA A 88 3.745 -24.265 0.304 1.00 52.55 O ATOM 1337 CB ALA A 88 2.880 -24.881 -2.679 1.00 70.25 C ATOM 0 H ALA A 88 0.400 -25.014 -1.928 1.00 31.33 H new ATOM 0 HA ALA A 88 2.915 -26.281 -1.063 1.00 1.25 H new ATOM 0 HB1 ALA A 88 3.942 -24.646 -2.608 1.00 70.25 H new ATOM 0 HB2 ALA A 88 2.729 -25.659 -3.428 1.00 70.25 H new ATOM 0 HB3 ALA A 88 2.330 -23.986 -2.969 1.00 70.25 H new ATOM 1343 N GLY A 89 1.643 -23.508 0.040 1.00 35.11 N ATOM 1344 CA GLY A 89 1.794 -22.477 1.050 1.00 31.44 C ATOM 1345 C GLY A 89 1.274 -22.913 2.406 1.00 72.32 C ATOM 1346 O GLY A 89 2.012 -22.911 3.391 1.00 15.14 O ATOM 0 H GLY A 89 0.726 -23.540 -0.406 1.00 35.11 H new ATOM 0 HA2 GLY A 89 2.847 -22.209 1.137 1.00 31.44 H new ATOM 0 HA3 GLY A 89 1.262 -21.580 0.732 1.00 31.44 H new ATOM 1350 N ASP A 90 0.000 -23.287 2.457 1.00 50.24 N ATOM 1351 CA ASP A 90 -0.619 -23.727 3.702 1.00 42.43 C ATOM 1352 C ASP A 90 0.213 -24.820 4.365 1.00 10.23 C ATOM 1353 O ASP A 90 0.201 -25.973 3.934 1.00 71.23 O ATOM 1354 CB ASP A 90 -2.037 -24.236 3.439 1.00 1.13 C ATOM 1355 CG ASP A 90 -2.544 -25.135 4.550 1.00 62.24 C ATOM 1356 OD1 ASP A 90 -2.792 -24.623 5.661 1.00 45.10 O ATOM 1357 OD2 ASP A 90 -2.692 -26.352 4.307 1.00 1.45 O ATOM 0 H ASP A 90 -0.624 -23.294 1.650 1.00 50.24 H new ATOM 0 HA ASP A 90 -0.668 -22.873 4.377 1.00 42.43 H new ATOM 0 HB2 ASP A 90 -2.710 -23.386 3.327 1.00 1.13 H new ATOM 0 HB3 ASP A 90 -2.055 -24.783 2.496 1.00 1.13 H new ATOM 1362 N THR A 91 0.936 -24.450 5.418 1.00 45.45 N ATOM 1363 CA THR A 91 1.776 -25.397 6.139 1.00 30.24 C ATOM 1364 C THR A 91 1.085 -25.890 7.406 1.00 61.23 C ATOM 1365 O THR A 91 1.290 -27.026 7.834 1.00 22.10 O ATOM 1366 CB THR A 91 3.132 -24.772 6.518 1.00 14.43 C ATOM 1367 OG1 THR A 91 2.925 -23.605 7.323 1.00 62.14 O ATOM 1368 CG2 THR A 91 3.924 -24.402 5.273 1.00 13.33 C ATOM 0 H THR A 91 0.956 -23.500 5.790 1.00 45.45 H new ATOM 0 HA THR A 91 1.948 -26.240 5.470 1.00 30.24 H new ATOM 0 HB THR A 91 3.701 -25.508 7.085 1.00 14.43 H new ATOM 0 HG1 THR A 91 3.791 -23.214 7.561 1.00 62.14 H new ATOM 0 HG21 THR A 91 4.878 -23.963 5.566 1.00 13.33 H new ATOM 0 HG22 THR A 91 4.104 -25.297 4.677 1.00 13.33 H new ATOM 0 HG23 THR A 91 3.358 -23.681 4.683 1.00 13.33 H new ATOM 1376 N ASP A 92 0.266 -25.030 8.000 1.00 73.00 N ATOM 1377 CA ASP A 92 -0.458 -25.379 9.217 1.00 25.22 C ATOM 1378 C ASP A 92 -1.479 -26.479 8.946 1.00 61.31 C ATOM 1379 O ASP A 92 -1.764 -27.303 9.814 1.00 73.23 O ATOM 1380 CB ASP A 92 -1.158 -24.146 9.791 1.00 24.53 C ATOM 1381 CG ASP A 92 -1.343 -24.233 11.293 1.00 31.15 C ATOM 1382 OD1 ASP A 92 -1.294 -25.358 11.834 1.00 75.22 O ATOM 1383 OD2 ASP A 92 -1.536 -23.176 11.929 1.00 52.20 O ATOM 0 H ASP A 92 0.086 -24.086 7.659 1.00 73.00 H new ATOM 0 HA ASP A 92 0.263 -25.750 9.945 1.00 25.22 H new ATOM 0 HB2 ASP A 92 -0.576 -23.256 9.550 1.00 24.53 H new ATOM 0 HB3 ASP A 92 -2.131 -24.029 9.314 1.00 24.53 H new ATOM 1388 N GLY A 93 -2.027 -26.485 7.735 1.00 75.14 N ATOM 1389 CA GLY A 93 -3.012 -27.487 7.371 1.00 60.40 C ATOM 1390 C GLY A 93 -4.415 -27.104 7.799 1.00 42.05 C ATOM 1391 O GLY A 93 -5.063 -27.833 8.550 1.00 51.23 O ATOM 0 H GLY A 93 -1.807 -25.814 6.999 1.00 75.14 H new ATOM 0 HA2 GLY A 93 -2.993 -27.635 6.291 1.00 60.40 H new ATOM 0 HA3 GLY A 93 -2.743 -28.439 7.828 1.00 60.40 H new ATOM 1395 N ASP A 94 -4.884 -25.957 7.321 1.00 12.30 N ATOM 1396 CA ASP A 94 -6.219 -25.477 7.659 1.00 53.01 C ATOM 1397 C ASP A 94 -6.964 -25.017 6.409 1.00 2.03 C ATOM 1398 O ASP A 94 -8.054 -24.453 6.496 1.00 4.11 O ATOM 1399 CB ASP A 94 -6.132 -24.330 8.667 1.00 34.11 C ATOM 1400 CG ASP A 94 -5.723 -23.021 8.021 1.00 23.21 C ATOM 1401 OD1 ASP A 94 -4.591 -22.946 7.497 1.00 33.22 O ATOM 1402 OD2 ASP A 94 -6.534 -22.072 8.039 1.00 63.03 O ATOM 0 H ASP A 94 -4.360 -25.342 6.698 1.00 12.30 H new ATOM 0 HA ASP A 94 -6.772 -26.302 8.107 1.00 53.01 H new ATOM 0 HB2 ASP A 94 -7.099 -24.205 9.155 1.00 34.11 H new ATOM 0 HB3 ASP A 94 -5.414 -24.588 9.445 1.00 34.11 H new ATOM 1407 N GLY A 95 -6.366 -25.261 5.247 1.00 73.32 N ATOM 1408 CA GLY A 95 -6.986 -24.865 3.996 1.00 14.52 C ATOM 1409 C GLY A 95 -6.699 -23.420 3.639 1.00 2.32 C ATOM 1410 O GLY A 95 -6.827 -23.021 2.481 1.00 4.24 O ATOM 0 H GLY A 95 -5.463 -25.726 5.150 1.00 73.32 H new ATOM 0 HA2 GLY A 95 -6.627 -25.512 3.195 1.00 14.52 H new ATOM 0 HA3 GLY A 95 -8.064 -25.012 4.066 1.00 14.52 H new ATOM 1414 N LYS A 96 -6.311 -22.632 4.636 1.00 45.40 N ATOM 1415 CA LYS A 96 -6.004 -21.222 4.423 1.00 71.12 C ATOM 1416 C LYS A 96 -4.503 -20.970 4.527 1.00 14.22 C ATOM 1417 O LYS A 96 -3.726 -21.891 4.780 1.00 50.30 O ATOM 1418 CB LYS A 96 -6.750 -20.357 5.442 1.00 64.23 C ATOM 1419 CG LYS A 96 -8.166 -20.830 5.721 1.00 63.23 C ATOM 1420 CD LYS A 96 -8.990 -19.752 6.404 1.00 44.43 C ATOM 1421 CE LYS A 96 -10.220 -20.335 7.081 1.00 74.14 C ATOM 1422 NZ LYS A 96 -11.374 -20.434 6.144 1.00 0.21 N ATOM 0 H LYS A 96 -6.202 -22.946 5.600 1.00 45.40 H new ATOM 0 HA LYS A 96 -6.331 -20.952 3.419 1.00 71.12 H new ATOM 0 HB2 LYS A 96 -6.189 -20.346 6.376 1.00 64.23 H new ATOM 0 HB3 LYS A 96 -6.784 -19.330 5.078 1.00 64.23 H new ATOM 0 HG2 LYS A 96 -8.645 -21.117 4.785 1.00 63.23 H new ATOM 0 HG3 LYS A 96 -8.136 -21.720 6.350 1.00 63.23 H new ATOM 0 HD2 LYS A 96 -8.376 -19.237 7.143 1.00 44.43 H new ATOM 0 HD3 LYS A 96 -9.296 -19.007 5.670 1.00 44.43 H new ATOM 0 HE2 LYS A 96 -9.984 -21.324 7.473 1.00 74.14 H new ATOM 0 HE3 LYS A 96 -10.496 -19.712 7.932 1.00 74.14 H new ATOM 0 HZ1 LYS A 96 -12.240 -20.640 6.681 1.00 0.21 H new ATOM 0 HZ2 LYS A 96 -11.487 -19.533 5.636 1.00 0.21 H new ATOM 0 HZ3 LYS A 96 -11.201 -21.198 5.460 1.00 0.21 H new ATOM 1436 N ILE A 97 -4.104 -19.718 4.333 1.00 43.43 N ATOM 1437 CA ILE A 97 -2.697 -19.345 4.408 1.00 64.01 C ATOM 1438 C ILE A 97 -2.523 -17.986 5.078 1.00 63.30 C ATOM 1439 O ILE A 97 -3.077 -16.985 4.628 1.00 51.25 O ATOM 1440 CB ILE A 97 -2.050 -19.302 3.011 1.00 71.24 C ATOM 1441 CG1 ILE A 97 -1.918 -20.717 2.442 1.00 15.41 C ATOM 1442 CG2 ILE A 97 -0.690 -18.623 3.077 1.00 72.42 C ATOM 1443 CD1 ILE A 97 -1.301 -20.758 1.062 1.00 55.14 C ATOM 0 H ILE A 97 -4.735 -18.945 4.123 1.00 43.43 H new ATOM 0 HA ILE A 97 -2.200 -20.109 5.006 1.00 64.01 H new ATOM 0 HB ILE A 97 -2.692 -18.722 2.348 1.00 71.24 H new ATOM 0 HG12 ILE A 97 -1.312 -21.317 3.120 1.00 15.41 H new ATOM 0 HG13 ILE A 97 -2.905 -21.178 2.404 1.00 15.41 H new ATOM 0 HG21 ILE A 97 -0.246 -18.601 2.082 1.00 72.42 H new ATOM 0 HG22 ILE A 97 -0.810 -17.604 3.444 1.00 72.42 H new ATOM 0 HG23 ILE A 97 -0.039 -19.178 3.753 1.00 72.42 H new ATOM 0 HD11 ILE A 97 -1.239 -21.792 0.722 1.00 55.14 H new ATOM 0 HD12 ILE A 97 -1.918 -20.185 0.370 1.00 55.14 H new ATOM 0 HD13 ILE A 97 -0.301 -20.327 1.098 1.00 55.14 H new ATOM 1455 N GLY A 98 -1.746 -17.960 6.157 1.00 14.33 N ATOM 1456 CA GLY A 98 -1.511 -16.718 6.871 1.00 34.45 C ATOM 1457 C GLY A 98 -0.248 -16.016 6.414 1.00 74.33 C ATOM 1458 O GLY A 98 -0.086 -15.725 5.229 1.00 60.14 O ATOM 0 H GLY A 98 -1.276 -18.776 6.549 1.00 14.33 H new ATOM 0 HA2 GLY A 98 -2.364 -16.054 6.729 1.00 34.45 H new ATOM 0 HA3 GLY A 98 -1.442 -16.924 7.939 1.00 34.45 H new ATOM 1462 N VAL A 99 0.649 -15.742 7.355 1.00 13.44 N ATOM 1463 CA VAL A 99 1.904 -15.068 7.043 1.00 74.43 C ATOM 1464 C VAL A 99 3.087 -16.020 7.182 1.00 51.44 C ATOM 1465 O VAL A 99 3.864 -16.199 6.245 1.00 43.12 O ATOM 1466 CB VAL A 99 2.129 -13.849 7.956 1.00 22.13 C ATOM 1467 CG1 VAL A 99 1.974 -12.556 7.170 1.00 64.43 C ATOM 1468 CG2 VAL A 99 1.170 -13.883 9.136 1.00 35.01 C ATOM 0 H VAL A 99 0.530 -15.976 8.341 1.00 13.44 H new ATOM 0 HA VAL A 99 1.833 -14.729 6.010 1.00 74.43 H new ATOM 0 HB VAL A 99 3.147 -13.891 8.343 1.00 22.13 H new ATOM 0 HG11 VAL A 99 2.137 -11.706 7.832 1.00 64.43 H new ATOM 0 HG12 VAL A 99 2.705 -12.532 6.362 1.00 64.43 H new ATOM 0 HG13 VAL A 99 0.969 -12.503 6.752 1.00 64.43 H new ATOM 0 HG21 VAL A 99 1.343 -13.014 9.771 1.00 35.01 H new ATOM 0 HG22 VAL A 99 0.143 -13.867 8.771 1.00 35.01 H new ATOM 0 HG23 VAL A 99 1.335 -14.793 9.713 1.00 35.01 H new ATOM 1478 N GLU A 100 3.216 -16.627 8.357 1.00 22.00 N ATOM 1479 CA GLU A 100 4.306 -17.560 8.618 1.00 32.21 C ATOM 1480 C GLU A 100 4.326 -18.678 7.579 1.00 13.31 C ATOM 1481 O GLU A 100 5.366 -19.285 7.327 1.00 75.42 O ATOM 1482 CB GLU A 100 4.172 -18.156 10.021 1.00 13.32 C ATOM 1483 CG GLU A 100 5.245 -17.683 10.988 1.00 74.41 C ATOM 1484 CD GLU A 100 5.523 -18.690 12.087 1.00 4.12 C ATOM 1485 OE1 GLU A 100 4.566 -19.344 12.551 1.00 52.43 O ATOM 1486 OE2 GLU A 100 6.700 -18.824 12.484 1.00 41.33 O ATOM 0 H GLU A 100 2.580 -16.490 9.143 1.00 22.00 H new ATOM 0 HA GLU A 100 5.244 -17.009 8.553 1.00 32.21 H new ATOM 0 HB2 GLU A 100 3.192 -17.899 10.424 1.00 13.32 H new ATOM 0 HB3 GLU A 100 4.212 -19.243 9.950 1.00 13.32 H new ATOM 0 HG2 GLU A 100 6.165 -17.488 10.437 1.00 74.41 H new ATOM 0 HG3 GLU A 100 4.935 -16.738 11.435 1.00 74.41 H new ATOM 1493 N GLU A 101 3.168 -18.942 6.981 1.00 64.41 N ATOM 1494 CA GLU A 101 3.053 -19.988 5.971 1.00 51.43 C ATOM 1495 C GLU A 101 3.338 -19.432 4.578 1.00 35.11 C ATOM 1496 O GLU A 101 3.709 -20.172 3.667 1.00 41.44 O ATOM 1497 CB GLU A 101 1.656 -20.611 6.007 1.00 21.13 C ATOM 1498 CG GLU A 101 1.151 -20.889 7.413 1.00 75.51 C ATOM 1499 CD GLU A 101 -0.255 -21.458 7.425 1.00 13.33 C ATOM 1500 OE1 GLU A 101 -0.505 -22.437 6.691 1.00 12.22 O ATOM 1501 OE2 GLU A 101 -1.105 -20.924 8.168 1.00 11.12 O ATOM 0 H GLU A 101 2.298 -18.447 7.178 1.00 64.41 H new ATOM 0 HA GLU A 101 3.792 -20.757 6.195 1.00 51.43 H new ATOM 0 HB2 GLU A 101 0.956 -19.944 5.504 1.00 21.13 H new ATOM 0 HB3 GLU A 101 1.668 -21.544 5.443 1.00 21.13 H new ATOM 0 HG2 GLU A 101 1.826 -21.588 7.906 1.00 75.51 H new ATOM 0 HG3 GLU A 101 1.170 -19.965 7.991 1.00 75.51 H new ATOM 1508 N PHE A 102 3.160 -18.124 4.421 1.00 32.55 N ATOM 1509 CA PHE A 102 3.396 -17.469 3.140 1.00 15.14 C ATOM 1510 C PHE A 102 4.884 -17.449 2.806 1.00 41.43 C ATOM 1511 O PHE A 102 5.313 -18.020 1.804 1.00 73.42 O ATOM 1512 CB PHE A 102 2.847 -16.041 3.166 1.00 44.42 C ATOM 1513 CG PHE A 102 2.896 -15.356 1.830 1.00 75.23 C ATOM 1514 CD1 PHE A 102 1.946 -15.634 0.860 1.00 50.23 C ATOM 1515 CD2 PHE A 102 3.891 -14.436 1.544 1.00 52.45 C ATOM 1516 CE1 PHE A 102 1.987 -15.006 -0.371 1.00 1.52 C ATOM 1517 CE2 PHE A 102 3.937 -13.804 0.315 1.00 13.11 C ATOM 1518 CZ PHE A 102 2.985 -14.090 -0.644 1.00 35.14 C ATOM 0 H PHE A 102 2.853 -17.497 5.165 1.00 32.55 H new ATOM 0 HA PHE A 102 2.877 -18.036 2.368 1.00 15.14 H new ATOM 0 HB2 PHE A 102 1.815 -16.063 3.516 1.00 44.42 H new ATOM 0 HB3 PHE A 102 3.416 -15.454 3.887 1.00 44.42 H new ATOM 0 HD1 PHE A 102 1.164 -16.350 1.068 1.00 50.23 H new ATOM 0 HD2 PHE A 102 4.639 -14.210 2.289 1.00 52.45 H new ATOM 0 HE1 PHE A 102 1.240 -15.231 -1.118 1.00 1.52 H new ATOM 0 HE2 PHE A 102 4.717 -13.087 0.105 1.00 13.11 H new ATOM 0 HZ PHE A 102 3.021 -13.599 -1.605 1.00 35.14 H new ATOM 1528 N GLN A 103 5.666 -16.785 3.652 1.00 73.43 N ATOM 1529 CA GLN A 103 7.106 -16.689 3.445 1.00 31.21 C ATOM 1530 C GLN A 103 7.724 -18.072 3.266 1.00 32.15 C ATOM 1531 O GLN A 103 8.646 -18.253 2.471 1.00 12.23 O ATOM 1532 CB GLN A 103 7.765 -15.972 4.624 1.00 12.43 C ATOM 1533 CG GLN A 103 7.366 -16.535 5.979 1.00 41.31 C ATOM 1534 CD GLN A 103 8.066 -15.838 7.129 1.00 20.43 C ATOM 1535 OE1 GLN A 103 7.436 -15.135 7.920 1.00 23.31 O ATOM 1536 NE2 GLN A 103 9.376 -16.031 7.229 1.00 1.31 N ATOM 0 H GLN A 103 5.327 -16.306 4.486 1.00 73.43 H new ATOM 0 HA GLN A 103 7.279 -16.113 2.536 1.00 31.21 H new ATOM 0 HB2 GLN A 103 8.848 -16.036 4.518 1.00 12.43 H new ATOM 0 HB3 GLN A 103 7.503 -14.915 4.588 1.00 12.43 H new ATOM 0 HG2 GLN A 103 6.287 -16.441 6.104 1.00 41.31 H new ATOM 0 HG3 GLN A 103 7.598 -17.600 6.009 1.00 41.31 H new ATOM 0 HE21 GLN A 103 9.858 -16.622 6.551 1.00 1.31 H new ATOM 0 HE22 GLN A 103 9.901 -15.589 7.984 1.00 1.31 H new ATOM 1545 N SER A 104 7.210 -19.045 4.012 1.00 72.21 N ATOM 1546 CA SER A 104 7.714 -20.412 3.939 1.00 50.51 C ATOM 1547 C SER A 104 7.633 -20.945 2.512 1.00 74.11 C ATOM 1548 O SER A 104 8.340 -21.885 2.147 1.00 43.25 O ATOM 1549 CB SER A 104 6.923 -21.321 4.881 1.00 12.43 C ATOM 1550 OG SER A 104 7.570 -22.570 5.047 1.00 23.14 O ATOM 0 H SER A 104 6.445 -18.912 4.674 1.00 72.21 H new ATOM 0 HA SER A 104 8.760 -20.404 4.247 1.00 50.51 H new ATOM 0 HB2 SER A 104 6.810 -20.835 5.850 1.00 12.43 H new ATOM 0 HB3 SER A 104 5.920 -21.477 4.484 1.00 12.43 H new ATOM 0 HG SER A 104 7.045 -23.132 5.655 1.00 23.14 H new ATOM 1556 N LEU A 105 6.765 -20.339 1.709 1.00 33.22 N ATOM 1557 CA LEU A 105 6.589 -20.752 0.321 1.00 23.01 C ATOM 1558 C LEU A 105 7.387 -19.854 -0.619 1.00 51.01 C ATOM 1559 O LEU A 105 8.084 -20.336 -1.513 1.00 14.35 O ATOM 1560 CB LEU A 105 5.108 -20.719 -0.058 1.00 53.42 C ATOM 1561 CG LEU A 105 4.795 -20.803 -1.553 1.00 4.43 C ATOM 1562 CD1 LEU A 105 3.480 -21.530 -1.783 1.00 12.00 C ATOM 1563 CD2 LEU A 105 4.752 -19.411 -2.168 1.00 24.35 C ATOM 0 H LEU A 105 6.172 -19.560 1.995 1.00 33.22 H new ATOM 0 HA LEU A 105 6.960 -21.772 0.221 1.00 23.01 H new ATOM 0 HB2 LEU A 105 4.606 -21.546 0.445 1.00 53.42 H new ATOM 0 HB3 LEU A 105 4.674 -19.798 0.332 1.00 53.42 H new ATOM 0 HG LEU A 105 5.589 -21.369 -2.040 1.00 4.43 H new ATOM 0 HD11 LEU A 105 3.274 -21.580 -2.852 1.00 12.00 H new ATOM 0 HD12 LEU A 105 3.547 -22.540 -1.379 1.00 12.00 H new ATOM 0 HD13 LEU A 105 2.675 -20.992 -1.283 1.00 12.00 H new ATOM 0 HD21 LEU A 105 4.528 -19.490 -3.232 1.00 24.35 H new ATOM 0 HD22 LEU A 105 3.979 -18.820 -1.677 1.00 24.35 H new ATOM 0 HD23 LEU A 105 5.719 -18.925 -2.036 1.00 24.35 H new ATOM 1575 N VAL A 106 7.282 -18.545 -0.410 1.00 72.43 N ATOM 1576 CA VAL A 106 7.996 -17.580 -1.237 1.00 12.52 C ATOM 1577 C VAL A 106 9.495 -17.858 -1.237 1.00 74.20 C ATOM 1578 O VAL A 106 10.158 -17.748 -2.268 1.00 50.24 O ATOM 1579 CB VAL A 106 7.753 -16.138 -0.752 1.00 12.10 C ATOM 1580 CG1 VAL A 106 8.368 -15.138 -1.719 1.00 63.22 C ATOM 1581 CG2 VAL A 106 6.264 -15.878 -0.579 1.00 71.04 C ATOM 0 H VAL A 106 6.710 -18.129 0.325 1.00 72.43 H new ATOM 0 HA VAL A 106 7.610 -17.685 -2.251 1.00 12.52 H new ATOM 0 HB VAL A 106 8.236 -16.013 0.217 1.00 12.10 H new ATOM 0 HG11 VAL A 106 8.186 -14.125 -1.360 1.00 63.22 H new ATOM 0 HG12 VAL A 106 9.442 -15.311 -1.787 1.00 63.22 H new ATOM 0 HG13 VAL A 106 7.917 -15.260 -2.704 1.00 63.22 H new ATOM 0 HG21 VAL A 106 6.111 -14.855 -0.236 1.00 71.04 H new ATOM 0 HG22 VAL A 106 5.756 -16.021 -1.533 1.00 71.04 H new ATOM 0 HG23 VAL A 106 5.856 -16.572 0.156 1.00 71.04 H new ATOM 1591 N LYS A 107 10.024 -18.221 -0.073 1.00 55.23 N ATOM 1592 CA LYS A 107 11.445 -18.518 0.062 1.00 14.24 C ATOM 1593 C LYS A 107 11.806 -19.798 -0.683 1.00 63.50 C ATOM 1594 O LYS A 107 12.983 -20.107 -0.871 1.00 33.11 O ATOM 1595 CB LYS A 107 11.820 -18.652 1.540 1.00 52.20 C ATOM 1596 CG LYS A 107 11.503 -17.415 2.362 1.00 3.25 C ATOM 1597 CD LYS A 107 11.222 -17.767 3.814 1.00 43.13 C ATOM 1598 CE LYS A 107 12.494 -18.162 4.548 1.00 44.02 C ATOM 1599 NZ LYS A 107 12.284 -18.239 6.020 1.00 1.20 N ATOM 0 H LYS A 107 9.490 -18.317 0.790 1.00 55.23 H new ATOM 0 HA LYS A 107 12.007 -17.693 -0.376 1.00 14.24 H new ATOM 0 HB2 LYS A 107 11.291 -19.505 1.964 1.00 52.20 H new ATOM 0 HB3 LYS A 107 12.886 -18.866 1.618 1.00 52.20 H new ATOM 0 HG2 LYS A 107 12.340 -16.719 2.311 1.00 3.25 H new ATOM 0 HG3 LYS A 107 10.638 -16.906 1.936 1.00 3.25 H new ATOM 0 HD2 LYS A 107 10.762 -16.914 4.314 1.00 43.13 H new ATOM 0 HD3 LYS A 107 10.505 -18.587 3.859 1.00 43.13 H new ATOM 0 HE2 LYS A 107 12.841 -19.127 4.180 1.00 44.02 H new ATOM 0 HE3 LYS A 107 13.279 -17.437 4.331 1.00 44.02 H new ATOM 0 HZ1 LYS A 107 13.174 -18.511 6.484 1.00 1.20 H new ATOM 0 HZ2 LYS A 107 11.977 -17.311 6.376 1.00 1.20 H new ATOM 0 HZ3 LYS A 107 11.553 -18.949 6.230 1.00 1.20 H new ATOM 1613 N ALA A 108 10.787 -20.539 -1.107 1.00 24.24 N ATOM 1614 CA ALA A 108 10.999 -21.784 -1.835 1.00 33.25 C ATOM 1615 C ALA A 108 11.059 -21.538 -3.338 1.00 54.42 C ATOM 1616 O ALA A 108 10.133 -20.971 -3.921 1.00 45.32 O ATOM 1617 CB ALA A 108 9.898 -22.782 -1.505 1.00 1.32 C ATOM 0 H ALA A 108 9.807 -20.299 -0.959 1.00 24.24 H new ATOM 0 HA ALA A 108 11.957 -22.200 -1.523 1.00 33.25 H new ATOM 0 HB1 ALA A 108 10.069 -23.707 -2.055 1.00 1.32 H new ATOM 0 HB2 ALA A 108 9.904 -22.990 -0.435 1.00 1.32 H new ATOM 0 HB3 ALA A 108 8.932 -22.364 -1.788 1.00 1.32 H new TER 1623 ALA A 108