USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0164 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00613 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 4 MET CE :methyl 175:sc= 0 (180deg=-0.0617) USER MOD Single : A 18 THR OG1 : rot -23:sc= 0.449 USER MOD Single : A 27 THR OG1 : rot -98:sc= 0.862 USER MOD Single : A 28 SER OG : rot 20:sc= -3.23 USER MOD Single : A 29 THR OG1 : rot 110:sc= 1.01 USER MOD Single : A 31 THR OG1 : rot 118:sc= 1.06 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.365 X(o=0.36,f=0) USER MOD Single : A 65 ASN : amide:sc= -3.71! C(o=-3.7!,f=-13!) USER MOD Single : A 68 THR OG1 : rot 98:sc= -0.727 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00574 USER MOD Single : A 80 HIS : no HE2:sc= -8.55! C(o=-8.5!,f=-13!) USER MOD Single : A 82 ASN :FLIP amide:sc= -1.77 F(o=-3.3!,f=-1.8) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.767 11.489 -7.371 1.00 0.00 N ATOM 2 CA GLY A 1 8.152 12.871 -7.142 1.00 0.00 C ATOM 3 C GLY A 1 7.406 13.812 -8.090 1.00 0.00 C ATOM 4 O GLY A 1 7.225 13.499 -9.266 1.00 0.00 O ATOM 0 H1 GLY A 1 8.593 10.872 -7.238 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.022 11.220 -6.697 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.409 11.385 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.938 13.145 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.227 12.981 -7.285 1.00 0.00 H new ATOM 8 N SER A 2 6.995 14.947 -7.544 1.00 0.00 N ATOM 9 CA SER A 2 6.274 15.936 -8.327 1.00 0.00 C ATOM 10 C SER A 2 6.113 17.226 -7.519 1.00 0.00 C ATOM 11 O SER A 2 5.014 17.547 -7.069 1.00 0.00 O ATOM 12 CB SER A 2 4.905 15.406 -8.758 1.00 0.00 C ATOM 13 OG SER A 2 4.139 16.396 -9.439 1.00 0.00 O ATOM 0 H SER A 2 7.148 15.204 -6.569 1.00 0.00 H new ATOM 0 HA SER A 2 6.851 16.147 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.039 14.541 -9.408 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.356 15.063 -7.881 1.00 0.00 H new ATOM 0 HG SER A 2 3.273 16.018 -9.699 1.00 0.00 H new ATOM 19 N HIS A 3 7.224 17.930 -7.361 1.00 0.00 N ATOM 20 CA HIS A 3 7.220 19.178 -6.616 1.00 0.00 C ATOM 21 C HIS A 3 6.586 18.953 -5.242 1.00 0.00 C ATOM 22 O HIS A 3 6.327 17.815 -4.853 1.00 0.00 O ATOM 23 CB HIS A 3 6.527 20.284 -7.414 1.00 0.00 C ATOM 24 CG HIS A 3 7.018 20.415 -8.836 1.00 0.00 C ATOM 25 ND1 HIS A 3 6.242 20.078 -9.931 1.00 0.00 N ATOM 26 CD2 HIS A 3 8.213 20.851 -9.330 1.00 0.00 C ATOM 27 CE1 HIS A 3 6.948 20.304 -11.030 1.00 0.00 C ATOM 28 NE2 HIS A 3 8.169 20.782 -10.655 1.00 0.00 N ATOM 0 H HIS A 3 8.133 17.660 -7.736 1.00 0.00 H new ATOM 0 HA HIS A 3 8.245 19.513 -6.455 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.454 20.091 -7.427 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.673 21.234 -6.901 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.052 21.194 -8.743 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.615 20.139 -12.044 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.924 21.044 -11.289 1.00 0.00 H new ATOM 36 N MET A 4 6.355 20.055 -4.545 1.00 0.00 N ATOM 37 CA MET A 4 5.757 19.993 -3.222 1.00 0.00 C ATOM 38 C MET A 4 4.230 19.976 -3.311 1.00 0.00 C ATOM 39 O MET A 4 3.555 20.727 -2.608 1.00 0.00 O ATOM 40 CB MET A 4 6.208 21.202 -2.400 1.00 0.00 C ATOM 41 CG MET A 4 7.650 21.031 -1.918 1.00 0.00 C ATOM 42 SD MET A 4 7.678 20.801 -0.148 1.00 0.00 S ATOM 43 CE MET A 4 7.356 19.048 -0.058 1.00 0.00 C ATOM 0 H MET A 4 6.571 20.997 -4.871 1.00 0.00 H new ATOM 0 HA MET A 4 6.084 19.072 -2.739 1.00 0.00 H new ATOM 0 HB2 MET A 4 6.127 22.107 -3.003 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.547 21.330 -1.543 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.108 20.174 -2.412 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.239 21.907 -2.189 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.427 18.718 0.978 1.00 0.00 H new ATOM 0 HE2 MET A 4 6.355 18.842 -0.437 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.089 18.512 -0.661 1.00 0.00 H new ATOM 53 N LEU A 5 3.729 19.111 -4.181 1.00 0.00 N ATOM 54 CA LEU A 5 2.294 18.987 -4.371 1.00 0.00 C ATOM 55 C LEU A 5 1.615 18.834 -3.009 1.00 0.00 C ATOM 56 O LEU A 5 0.557 19.415 -2.770 1.00 0.00 O ATOM 57 CB LEU A 5 1.979 17.850 -5.346 1.00 0.00 C ATOM 58 CG LEU A 5 0.553 17.818 -5.901 1.00 0.00 C ATOM 59 CD1 LEU A 5 -0.466 17.597 -4.782 1.00 0.00 C ATOM 60 CD2 LEU A 5 0.251 19.082 -6.710 1.00 0.00 C ATOM 0 H LEU A 5 4.291 18.489 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 5 1.891 19.890 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.673 17.914 -6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.173 16.903 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 5 0.471 16.972 -6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.471 17.578 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.263 16.647 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.392 18.407 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.768 19.034 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.357 19.958 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.949 19.156 -7.544 1.00 0.00 H new ATOM 72 N ARG A 6 2.251 18.050 -2.151 1.00 0.00 N ATOM 73 CA ARG A 6 1.721 17.814 -0.819 1.00 0.00 C ATOM 74 C ARG A 6 2.241 18.874 0.155 1.00 0.00 C ATOM 75 O ARG A 6 2.581 18.561 1.295 1.00 0.00 O ATOM 76 CB ARG A 6 2.113 16.426 -0.308 1.00 0.00 C ATOM 77 CG ARG A 6 1.098 15.371 -0.751 1.00 0.00 C ATOM 78 CD ARG A 6 1.617 14.581 -1.954 1.00 0.00 C ATOM 79 NE ARG A 6 2.904 13.934 -1.617 1.00 0.00 N ATOM 80 CZ ARG A 6 3.770 13.449 -2.532 1.00 0.00 C ATOM 81 NH1 ARG A 6 3.494 13.536 -3.850 1.00 0.00 N ATOM 82 NH2 ARG A 6 4.892 12.890 -2.118 1.00 0.00 N ATOM 0 H ARG A 6 3.128 17.570 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 6 0.634 17.873 -0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.103 16.163 -0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.177 16.440 0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.893 14.690 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.155 15.854 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.887 13.826 -2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.747 15.246 -2.808 1.00 0.00 H new ATOM 0 HE ARG A 6 3.153 13.849 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.626 13.971 -4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.154 13.167 -4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.094 12.830 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.557 12.519 -2.796 1.00 0.00 H new ATOM 95 N ASP A 7 2.285 20.106 -0.330 1.00 0.00 N ATOM 96 CA ASP A 7 2.757 21.214 0.483 1.00 0.00 C ATOM 97 C ASP A 7 1.805 21.417 1.663 1.00 0.00 C ATOM 98 O ASP A 7 2.244 21.549 2.804 1.00 0.00 O ATOM 99 CB ASP A 7 2.794 22.513 -0.325 1.00 0.00 C ATOM 100 CG ASP A 7 2.941 23.788 0.508 1.00 0.00 C ATOM 101 OD1 ASP A 7 3.124 23.733 1.734 1.00 0.00 O ATOM 102 OD2 ASP A 7 2.860 24.888 -0.160 1.00 0.00 O ATOM 0 H ASP A 7 2.002 20.362 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 7 3.763 20.975 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.623 22.461 -1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.879 22.584 -0.912 1.00 0.00 H new ATOM 108 N ARG A 8 0.518 21.436 1.347 1.00 0.00 N ATOM 109 CA ARG A 8 -0.500 21.621 2.367 1.00 0.00 C ATOM 110 C ARG A 8 -0.425 20.496 3.402 1.00 0.00 C ATOM 111 O ARG A 8 -0.910 20.645 4.522 1.00 0.00 O ATOM 112 CB ARG A 8 -1.900 21.645 1.750 1.00 0.00 C ATOM 113 CG ARG A 8 -2.638 22.935 2.115 1.00 0.00 C ATOM 114 CD ARG A 8 -4.056 22.936 1.541 1.00 0.00 C ATOM 115 NE ARG A 8 -4.808 24.103 2.053 1.00 0.00 N ATOM 116 CZ ARG A 8 -6.053 24.437 1.651 1.00 0.00 C ATOM 117 NH1 ARG A 8 -6.696 23.695 0.725 1.00 0.00 N ATOM 118 NH2 ARG A 8 -6.631 25.501 2.176 1.00 0.00 N ATOM 0 H ARG A 8 0.157 21.326 0.399 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.313 22.579 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.825 21.559 0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.470 20.784 2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.681 23.040 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.087 23.794 1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.016 22.968 0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.569 22.014 1.815 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.358 24.692 2.753 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.242 22.875 0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.636 23.954 0.427 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.138 26.057 2.874 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.571 25.767 1.883 1.00 0.00 H new ATOM 131 N LEU A 9 0.186 19.395 2.989 1.00 0.00 N ATOM 132 CA LEU A 9 0.331 18.246 3.866 1.00 0.00 C ATOM 133 C LEU A 9 1.650 18.358 4.633 1.00 0.00 C ATOM 134 O LEU A 9 2.205 17.351 5.070 1.00 0.00 O ATOM 135 CB LEU A 9 0.189 16.945 3.073 1.00 0.00 C ATOM 136 CG LEU A 9 -1.219 16.614 2.574 1.00 0.00 C ATOM 137 CD1 LEU A 9 -2.250 16.779 3.692 1.00 0.00 C ATOM 138 CD2 LEU A 9 -1.573 17.447 1.340 1.00 0.00 C ATOM 0 H LEU A 9 0.586 19.275 2.059 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.468 18.229 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.856 16.993 2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.534 16.122 3.699 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.237 15.567 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.242 16.538 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.005 16.108 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.239 17.809 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.579 17.192 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.532 18.507 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.861 17.236 0.542 1.00 0.00 H new ATOM 150 N ALA A 10 2.113 19.591 4.774 1.00 0.00 N ATOM 151 CA ALA A 10 3.356 19.848 5.481 1.00 0.00 C ATOM 152 C ALA A 10 3.232 19.345 6.921 1.00 0.00 C ATOM 153 O ALA A 10 3.015 20.132 7.840 1.00 0.00 O ATOM 154 CB ALA A 10 3.685 21.340 5.411 1.00 0.00 C ATOM 0 H ALA A 10 1.649 20.424 4.410 1.00 0.00 H new ATOM 0 HA ALA A 10 4.181 19.311 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.618 21.532 5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.792 21.641 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.880 21.912 5.873 1.00 0.00 H new ATOM 160 N GLY A 11 3.376 18.036 7.071 1.00 0.00 N ATOM 161 CA GLY A 11 3.283 17.419 8.383 1.00 0.00 C ATOM 162 C GLY A 11 3.013 15.918 8.265 1.00 0.00 C ATOM 163 O GLY A 11 3.354 15.150 9.163 1.00 0.00 O ATOM 0 H GLY A 11 3.556 17.386 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.210 17.583 8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.485 17.892 8.955 1.00 0.00 H new ATOM 167 N LEU A 12 2.403 15.545 7.150 1.00 0.00 N ATOM 168 CA LEU A 12 2.083 14.149 6.902 1.00 0.00 C ATOM 169 C LEU A 12 2.100 13.886 5.396 1.00 0.00 C ATOM 170 O LEU A 12 1.083 14.042 4.723 1.00 0.00 O ATOM 171 CB LEU A 12 0.762 13.775 7.577 1.00 0.00 C ATOM 172 CG LEU A 12 -0.436 14.666 7.247 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.643 13.828 6.822 1.00 0.00 C ATOM 174 CD2 LEU A 12 -0.767 15.595 8.417 1.00 0.00 C ATOM 0 H LEU A 12 2.122 16.185 6.408 1.00 0.00 H new ATOM 0 HA LEU A 12 2.837 13.500 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.514 12.750 7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.912 13.788 8.657 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.168 15.297 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.481 14.487 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.388 13.245 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.922 13.155 7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.623 16.218 8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.007 14.999 9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.092 16.230 8.631 1.00 0.00 H new ATOM 186 N PRO A 13 3.299 13.480 4.897 1.00 0.00 N ATOM 187 CA PRO A 13 3.462 13.193 3.481 1.00 0.00 C ATOM 188 C PRO A 13 2.816 11.855 3.115 1.00 0.00 C ATOM 189 O PRO A 13 2.577 11.018 3.985 1.00 0.00 O ATOM 190 CB PRO A 13 4.963 13.212 3.247 1.00 0.00 C ATOM 191 CG PRO A 13 5.601 13.047 4.616 1.00 0.00 C ATOM 192 CD PRO A 13 4.525 13.283 5.663 1.00 0.00 C ATOM 0 HA PRO A 13 2.964 13.923 2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.264 12.407 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.274 14.147 2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.024 12.048 4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.420 13.755 4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.437 12.432 6.339 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.753 14.155 6.276 1.00 0.00 H new ATOM 200 N ARG A 14 2.552 11.694 1.827 1.00 0.00 N ATOM 201 CA ARG A 14 1.939 10.472 1.335 1.00 0.00 C ATOM 202 C ARG A 14 2.516 9.258 2.066 1.00 0.00 C ATOM 203 O ARG A 14 1.812 8.276 2.296 1.00 0.00 O ATOM 204 CB ARG A 14 2.167 10.309 -0.169 1.00 0.00 C ATOM 205 CG ARG A 14 0.872 9.910 -0.880 1.00 0.00 C ATOM 206 CD ARG A 14 1.124 9.630 -2.363 1.00 0.00 C ATOM 207 NE ARG A 14 -0.092 9.935 -3.149 1.00 0.00 N ATOM 208 CZ ARG A 14 -0.083 10.273 -4.456 1.00 0.00 C ATOM 209 NH1 ARG A 14 1.081 10.351 -5.136 1.00 0.00 N ATOM 210 NH2 ARG A 14 -1.230 10.525 -5.060 1.00 0.00 N ATOM 0 H ARG A 14 2.752 12.390 1.109 1.00 0.00 H new ATOM 0 HA ARG A 14 0.867 10.539 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.542 11.243 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.931 9.551 -0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.451 9.024 -0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.136 10.707 -0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.958 10.234 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.405 8.586 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.993 9.887 -2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.963 10.154 -4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.079 10.607 -6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.105 10.463 -4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.241 10.782 -6.047 1.00 0.00 H new ATOM 223 N ALA A 15 3.791 9.365 2.410 1.00 0.00 N ATOM 224 CA ALA A 15 4.469 8.287 3.110 1.00 0.00 C ATOM 225 C ALA A 15 3.659 7.900 4.349 1.00 0.00 C ATOM 226 O ALA A 15 3.246 6.750 4.490 1.00 0.00 O ATOM 227 CB ALA A 15 5.894 8.723 3.458 1.00 0.00 C ATOM 0 H ALA A 15 4.372 10.181 2.217 1.00 0.00 H new ATOM 0 HA ALA A 15 4.543 7.404 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.404 7.915 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.436 8.959 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.859 9.606 4.097 1.00 0.00 H new ATOM 233 N GLU A 16 3.456 8.881 5.215 1.00 0.00 N ATOM 234 CA GLU A 16 2.703 8.657 6.437 1.00 0.00 C ATOM 235 C GLU A 16 1.272 8.226 6.107 1.00 0.00 C ATOM 236 O GLU A 16 0.793 7.213 6.614 1.00 0.00 O ATOM 237 CB GLU A 16 2.709 9.906 7.322 1.00 0.00 C ATOM 238 CG GLU A 16 3.717 9.763 8.463 1.00 0.00 C ATOM 239 CD GLU A 16 4.798 10.843 8.378 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.583 11.973 8.842 1.00 0.00 O ATOM 241 OE2 GLU A 16 5.894 10.474 7.807 1.00 0.00 O ATOM 0 H GLU A 16 3.800 9.834 5.095 1.00 0.00 H new ATOM 0 HA GLU A 16 3.184 7.854 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.956 10.781 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.712 10.071 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.201 9.835 9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.179 8.777 8.423 1.00 0.00 H new ATOM 249 N ARG A 17 0.630 9.017 5.260 1.00 0.00 N ATOM 250 CA ARG A 17 -0.736 8.730 4.856 1.00 0.00 C ATOM 251 C ARG A 17 -0.852 7.285 4.367 1.00 0.00 C ATOM 252 O ARG A 17 -1.669 6.518 4.875 1.00 0.00 O ATOM 253 CB ARG A 17 -1.192 9.676 3.743 1.00 0.00 C ATOM 254 CG ARG A 17 -2.626 9.363 3.311 1.00 0.00 C ATOM 255 CD ARG A 17 -3.635 9.905 4.326 1.00 0.00 C ATOM 256 NE ARG A 17 -3.620 11.385 4.313 1.00 0.00 N ATOM 257 CZ ARG A 17 -4.393 12.156 5.107 1.00 0.00 C ATOM 258 NH1 ARG A 17 -5.251 11.593 5.985 1.00 0.00 N ATOM 259 NH2 ARG A 17 -4.299 13.470 5.011 1.00 0.00 N ATOM 0 H ARG A 17 1.031 9.857 4.842 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.377 8.876 5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.130 10.708 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.523 9.586 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.819 9.801 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.752 8.285 3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.634 9.541 4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.392 9.539 5.324 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.986 11.851 3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.319 10.577 6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.831 12.183 6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.650 13.887 4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.876 14.067 5.603 1.00 0.00 H new ATOM 272 N THR A 18 -0.023 6.957 3.387 1.00 0.00 N ATOM 273 CA THR A 18 -0.023 5.618 2.823 1.00 0.00 C ATOM 274 C THR A 18 0.353 4.590 3.892 1.00 0.00 C ATOM 275 O THR A 18 -0.262 3.528 3.981 1.00 0.00 O ATOM 276 CB THR A 18 0.919 5.612 1.617 1.00 0.00 C ATOM 277 OG1 THR A 18 0.177 6.273 0.595 1.00 0.00 O ATOM 278 CG2 THR A 18 1.149 4.206 1.060 1.00 0.00 C ATOM 0 H THR A 18 0.654 7.596 2.969 1.00 0.00 H new ATOM 0 HA THR A 18 -1.017 5.334 2.478 1.00 0.00 H new ATOM 0 HB THR A 18 1.876 6.050 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.781 6.204 0.789 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.824 4.259 0.206 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.590 3.576 1.833 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.197 3.780 0.744 1.00 0.00 H new ATOM 286 N ALA A 19 1.361 4.941 4.677 1.00 0.00 N ATOM 287 CA ALA A 19 1.826 4.062 5.736 1.00 0.00 C ATOM 288 C ALA A 19 0.743 3.947 6.810 1.00 0.00 C ATOM 289 O ALA A 19 0.751 3.011 7.608 1.00 0.00 O ATOM 290 CB ALA A 19 3.148 4.592 6.296 1.00 0.00 C ATOM 0 H ALA A 19 1.869 5.822 4.601 1.00 0.00 H new ATOM 0 HA ALA A 19 2.014 3.061 5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.497 3.933 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.892 4.627 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.998 5.595 6.696 1.00 0.00 H new ATOM 296 N GLU A 20 -0.164 4.913 6.796 1.00 0.00 N ATOM 297 CA GLU A 20 -1.252 4.932 7.759 1.00 0.00 C ATOM 298 C GLU A 20 -2.451 4.148 7.221 1.00 0.00 C ATOM 299 O GLU A 20 -3.036 3.334 7.935 1.00 0.00 O ATOM 300 CB GLU A 20 -1.649 6.367 8.110 1.00 0.00 C ATOM 301 CG GLU A 20 -2.907 6.391 8.981 1.00 0.00 C ATOM 302 CD GLU A 20 -2.769 7.407 10.116 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.644 7.780 10.481 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.883 7.812 10.624 1.00 0.00 O ATOM 0 H GLU A 20 -0.168 5.688 6.133 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.909 4.451 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.829 6.857 8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.825 6.933 7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.773 6.641 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.085 5.399 9.396 1.00 0.00 H new ATOM 312 N LEU A 21 -2.781 4.420 5.967 1.00 0.00 N ATOM 313 CA LEU A 21 -3.899 3.750 5.326 1.00 0.00 C ATOM 314 C LEU A 21 -3.618 2.248 5.258 1.00 0.00 C ATOM 315 O LEU A 21 -4.516 1.434 5.467 1.00 0.00 O ATOM 316 CB LEU A 21 -4.193 4.383 3.964 1.00 0.00 C ATOM 317 CG LEU A 21 -5.508 5.158 3.854 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.709 4.215 3.939 1.00 0.00 C ATOM 319 CD2 LEU A 21 -5.577 6.271 4.902 1.00 0.00 C ATOM 0 H LEU A 21 -2.294 5.095 5.378 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.808 3.878 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.374 5.058 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.195 3.594 3.212 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.543 5.635 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.631 4.791 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.661 3.491 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.692 3.690 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.521 6.807 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.510 5.836 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.749 6.964 4.752 1.00 0.00 H new ATOM 331 N VAL A 22 -2.366 1.925 4.965 1.00 0.00 N ATOM 332 CA VAL A 22 -1.955 0.535 4.867 1.00 0.00 C ATOM 333 C VAL A 22 -2.063 -0.122 6.244 1.00 0.00 C ATOM 334 O VAL A 22 -2.930 -0.965 6.468 1.00 0.00 O ATOM 335 CB VAL A 22 -0.549 0.446 4.270 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.060 -0.937 4.505 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.563 0.794 2.780 1.00 0.00 C ATOM 0 H VAL A 22 -1.623 2.602 4.792 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.614 -0.012 4.193 1.00 0.00 H new ATOM 0 HB VAL A 22 0.078 1.178 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.059 -0.973 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.123 -1.130 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.567 -1.695 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.449 0.723 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.212 0.097 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.935 1.810 2.647 1.00 0.00 H new ATOM 347 N ARG A 23 -1.169 0.288 7.132 1.00 0.00 N ATOM 348 CA ARG A 23 -1.152 -0.250 8.481 1.00 0.00 C ATOM 349 C ARG A 23 -2.581 -0.455 8.989 1.00 0.00 C ATOM 350 O ARG A 23 -2.836 -1.352 9.791 1.00 0.00 O ATOM 351 CB ARG A 23 -0.407 0.683 9.438 1.00 0.00 C ATOM 352 CG ARG A 23 0.212 -0.100 10.597 1.00 0.00 C ATOM 353 CD ARG A 23 1.388 0.664 11.208 1.00 0.00 C ATOM 354 NE ARG A 23 2.035 -0.156 12.256 1.00 0.00 N ATOM 355 CZ ARG A 23 3.318 -0.008 12.650 1.00 0.00 C ATOM 356 NH1 ARG A 23 4.103 0.934 12.084 1.00 0.00 N ATOM 357 NH2 ARG A 23 3.793 -0.796 13.596 1.00 0.00 N ATOM 0 H ARG A 23 -0.451 0.987 6.943 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.633 -1.208 8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.374 1.216 8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.094 1.434 9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.543 -0.284 11.361 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.551 -1.074 10.243 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.112 0.915 10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.039 1.605 11.634 1.00 0.00 H new ATOM 0 HE ARG A 23 1.476 -0.879 12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.728 1.539 11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.071 1.040 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.193 -1.504 14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.760 -0.697 13.905 1.00 0.00 H new ATOM 370 N LEU A 24 -3.475 0.391 8.499 1.00 0.00 N ATOM 371 CA LEU A 24 -4.872 0.314 8.893 1.00 0.00 C ATOM 372 C LEU A 24 -5.515 -0.911 8.239 1.00 0.00 C ATOM 373 O LEU A 24 -6.036 -1.786 8.929 1.00 0.00 O ATOM 374 CB LEU A 24 -5.591 1.627 8.579 1.00 0.00 C ATOM 375 CG LEU A 24 -6.960 1.816 9.234 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.766 0.516 9.204 1.00 0.00 C ATOM 377 CD2 LEU A 24 -6.818 2.369 10.653 1.00 0.00 C ATOM 0 H LEU A 24 -3.260 1.133 7.833 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.957 0.182 9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.948 2.452 8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.714 1.701 7.499 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.516 2.554 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.735 0.678 9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.913 0.203 8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.224 -0.260 9.744 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.806 2.494 11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.235 1.674 11.258 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.312 3.334 10.619 1.00 0.00 H new ATOM 389 N VAL A 25 -5.457 -0.934 6.915 1.00 0.00 N ATOM 390 CA VAL A 25 -6.027 -2.037 6.160 1.00 0.00 C ATOM 391 C VAL A 25 -5.392 -3.349 6.624 1.00 0.00 C ATOM 392 O VAL A 25 -6.018 -4.406 6.551 1.00 0.00 O ATOM 393 CB VAL A 25 -5.857 -1.788 4.660 1.00 0.00 C ATOM 394 CG1 VAL A 25 -4.573 -2.437 4.139 1.00 0.00 C ATOM 395 CG2 VAL A 25 -7.077 -2.281 3.881 1.00 0.00 C ATOM 0 H VAL A 25 -5.024 -0.206 6.346 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.099 -2.112 6.344 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.774 -0.712 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.476 -2.245 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.714 -2.016 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.613 -3.512 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.930 -2.092 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.205 -3.351 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.966 -1.752 4.224 1.00 0.00 H new ATOM 405 N ARG A 26 -4.157 -3.239 7.091 1.00 0.00 N ATOM 406 CA ARG A 26 -3.430 -4.404 7.566 1.00 0.00 C ATOM 407 C ARG A 26 -4.078 -4.950 8.840 1.00 0.00 C ATOM 408 O ARG A 26 -4.630 -6.050 8.838 1.00 0.00 O ATOM 409 CB ARG A 26 -1.967 -4.061 7.854 1.00 0.00 C ATOM 410 CG ARG A 26 -1.028 -5.092 7.224 1.00 0.00 C ATOM 411 CD ARG A 26 -1.039 -4.984 5.698 1.00 0.00 C ATOM 412 NE ARG A 26 -1.104 -6.334 5.096 1.00 0.00 N ATOM 413 CZ ARG A 26 -2.209 -6.854 4.519 1.00 0.00 C ATOM 414 NH1 ARG A 26 -3.352 -6.139 4.461 1.00 0.00 N ATOM 415 NH2 ARG A 26 -2.154 -8.071 4.012 1.00 0.00 N ATOM 0 H ARG A 26 -3.641 -2.361 7.151 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.467 -5.160 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.739 -3.069 7.464 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.803 -4.025 8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.014 -4.941 7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.331 -6.095 7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.894 -4.390 5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.143 -4.467 5.355 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.261 -6.908 5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.386 -5.199 4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.182 -6.539 4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.286 -8.604 4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.980 -8.478 3.573 1.00 0.00 H new ATOM 428 N THR A 27 -3.990 -4.157 9.898 1.00 0.00 N ATOM 429 CA THR A 27 -4.561 -4.548 11.176 1.00 0.00 C ATOM 430 C THR A 27 -6.046 -4.879 11.017 1.00 0.00 C ATOM 431 O THR A 27 -6.538 -5.841 11.606 1.00 0.00 O ATOM 432 CB THR A 27 -4.292 -3.423 12.177 1.00 0.00 C ATOM 433 OG1 THR A 27 -4.388 -2.234 11.398 1.00 0.00 O ATOM 434 CG2 THR A 27 -2.849 -3.422 12.683 1.00 0.00 C ATOM 0 H THR A 27 -3.532 -3.246 9.896 1.00 0.00 H new ATOM 0 HA THR A 27 -4.097 -5.458 11.556 1.00 0.00 H new ATOM 0 HB THR A 27 -4.973 -3.520 13.023 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.490 -1.939 11.139 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.712 -2.604 13.390 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.636 -4.369 13.178 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.168 -3.292 11.842 1.00 0.00 H new ATOM 442 N SER A 28 -6.720 -4.063 10.220 1.00 0.00 N ATOM 443 CA SER A 28 -8.139 -4.257 9.976 1.00 0.00 C ATOM 444 C SER A 28 -8.368 -5.579 9.241 1.00 0.00 C ATOM 445 O SER A 28 -9.318 -6.302 9.538 1.00 0.00 O ATOM 446 CB SER A 28 -8.724 -3.094 9.172 1.00 0.00 C ATOM 447 OG SER A 28 -8.779 -1.892 9.935 1.00 0.00 O ATOM 0 H SER A 28 -6.309 -3.265 9.735 1.00 0.00 H new ATOM 0 HA SER A 28 -8.650 -4.291 10.938 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.120 -2.930 8.280 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.727 -3.355 8.834 1.00 0.00 H new ATOM 0 HG SER A 28 -8.159 -1.956 10.691 1.00 0.00 H new ATOM 453 N THR A 29 -7.481 -5.855 8.296 1.00 0.00 N ATOM 454 CA THR A 29 -7.575 -7.078 7.517 1.00 0.00 C ATOM 455 C THR A 29 -7.448 -8.302 8.426 1.00 0.00 C ATOM 456 O THR A 29 -8.425 -9.014 8.655 1.00 0.00 O ATOM 457 CB THR A 29 -6.509 -7.023 6.421 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.092 -6.204 5.410 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.305 -8.374 5.733 1.00 0.00 C ATOM 0 H THR A 29 -6.694 -5.253 8.052 1.00 0.00 H new ATOM 0 HA THR A 29 -8.550 -7.168 7.039 1.00 0.00 H new ATOM 0 HB THR A 29 -5.565 -6.688 6.851 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.620 -5.346 5.371 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.538 -8.279 4.964 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.991 -9.114 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.241 -8.694 5.274 1.00 0.00 H new ATOM 467 N ALA A 30 -6.237 -8.509 8.921 1.00 0.00 N ATOM 468 CA ALA A 30 -5.969 -9.634 9.800 1.00 0.00 C ATOM 469 C ALA A 30 -7.044 -9.692 10.888 1.00 0.00 C ATOM 470 O ALA A 30 -7.404 -10.772 11.353 1.00 0.00 O ATOM 471 CB ALA A 30 -4.559 -9.505 10.380 1.00 0.00 C ATOM 0 H ALA A 30 -5.430 -7.916 8.730 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.009 -10.572 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.358 -10.349 11.040 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.831 -9.497 9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.482 -8.576 10.946 1.00 0.00 H new ATOM 477 N THR A 31 -7.526 -8.516 11.262 1.00 0.00 N ATOM 478 CA THR A 31 -8.552 -8.419 12.286 1.00 0.00 C ATOM 479 C THR A 31 -9.813 -9.167 11.849 1.00 0.00 C ATOM 480 O THR A 31 -10.531 -9.720 12.682 1.00 0.00 O ATOM 481 CB THR A 31 -8.794 -6.936 12.575 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.785 -6.598 13.522 1.00 0.00 O ATOM 483 CG2 THR A 31 -10.106 -6.692 13.324 1.00 0.00 C ATOM 0 H THR A 31 -7.225 -7.622 10.874 1.00 0.00 H new ATOM 0 HA THR A 31 -8.233 -8.897 13.212 1.00 0.00 H new ATOM 0 HB THR A 31 -8.803 -6.380 11.637 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.192 -5.918 13.139 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.229 -5.624 13.504 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.940 -7.058 12.725 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.085 -7.220 14.277 1.00 0.00 H new ATOM 491 N VAL A 32 -10.045 -9.160 10.545 1.00 0.00 N ATOM 492 CA VAL A 32 -11.207 -9.831 9.988 1.00 0.00 C ATOM 493 C VAL A 32 -11.043 -11.344 10.148 1.00 0.00 C ATOM 494 O VAL A 32 -11.997 -12.098 9.965 1.00 0.00 O ATOM 495 CB VAL A 32 -11.411 -9.403 8.533 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.470 -10.271 7.849 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.777 -7.920 8.444 1.00 0.00 C ATOM 0 H VAL A 32 -9.448 -8.700 9.858 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.109 -9.543 10.528 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.468 -9.548 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.595 -9.946 6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.152 -11.313 7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.418 -10.173 8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.916 -7.642 7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.701 -7.740 8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.975 -7.321 8.875 1.00 0.00 H new ATOM 507 N LEU A 33 -9.826 -11.742 10.487 1.00 0.00 N ATOM 508 CA LEU A 33 -9.525 -13.151 10.674 1.00 0.00 C ATOM 509 C LEU A 33 -9.508 -13.471 12.171 1.00 0.00 C ATOM 510 O LEU A 33 -9.600 -14.634 12.562 1.00 0.00 O ATOM 511 CB LEU A 33 -8.228 -13.523 9.952 1.00 0.00 C ATOM 512 CG LEU A 33 -8.213 -13.291 8.440 1.00 0.00 C ATOM 513 CD1 LEU A 33 -9.540 -13.713 7.807 1.00 0.00 C ATOM 514 CD2 LEU A 33 -7.856 -11.839 8.111 1.00 0.00 C ATOM 0 H LEU A 33 -9.037 -11.114 10.637 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.302 -13.769 10.224 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.412 -12.952 10.395 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.020 -14.576 10.140 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.436 -13.920 8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.502 -13.538 6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.713 -14.773 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.352 -13.130 8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.852 -11.701 7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.593 -11.173 8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.868 -11.608 8.509 1.00 0.00 H new ATOM 526 N GLY A 34 -9.391 -12.418 12.967 1.00 0.00 N ATOM 527 CA GLY A 34 -9.361 -12.572 14.411 1.00 0.00 C ATOM 528 C GLY A 34 -8.031 -12.084 14.988 1.00 0.00 C ATOM 529 O GLY A 34 -8.001 -11.455 16.044 1.00 0.00 O ATOM 0 H GLY A 34 -9.316 -11.455 12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.182 -12.011 14.857 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.512 -13.620 14.672 1.00 0.00 H new ATOM 533 N HIS A 35 -6.962 -12.391 14.267 1.00 0.00 N ATOM 534 CA HIS A 35 -5.632 -11.991 14.694 1.00 0.00 C ATOM 535 C HIS A 35 -5.334 -10.578 14.189 1.00 0.00 C ATOM 536 O HIS A 35 -5.834 -10.171 13.141 1.00 0.00 O ATOM 537 CB HIS A 35 -4.586 -13.014 14.245 1.00 0.00 C ATOM 538 CG HIS A 35 -4.778 -14.390 14.838 1.00 0.00 C ATOM 539 ND1 HIS A 35 -5.122 -15.493 14.077 1.00 0.00 N ATOM 540 CD2 HIS A 35 -4.671 -14.828 16.125 1.00 0.00 C ATOM 541 CE1 HIS A 35 -5.215 -16.543 14.880 1.00 0.00 C ATOM 542 NE2 HIS A 35 -4.935 -16.128 16.149 1.00 0.00 N ATOM 0 H HIS A 35 -6.990 -12.912 13.390 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.588 -11.967 15.783 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.612 -13.091 13.158 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.595 -12.648 14.515 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.415 -14.220 16.980 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.468 -17.550 14.582 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.930 -16.720 16.980 1.00 0.00 H new ATOM 550 N ASP A 36 -4.520 -9.869 14.956 1.00 0.00 N ATOM 551 CA ASP A 36 -4.149 -8.510 14.600 1.00 0.00 C ATOM 552 C ASP A 36 -2.682 -8.483 14.165 1.00 0.00 C ATOM 553 O ASP A 36 -2.291 -7.662 13.338 1.00 0.00 O ATOM 554 CB ASP A 36 -4.307 -7.565 15.793 1.00 0.00 C ATOM 555 CG ASP A 36 -3.947 -6.104 15.512 1.00 0.00 C ATOM 556 OD1 ASP A 36 -3.631 -5.732 14.372 1.00 0.00 O ATOM 557 OD2 ASP A 36 -4.002 -5.323 16.537 1.00 0.00 O ATOM 0 H ASP A 36 -4.106 -10.210 15.824 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.804 -8.183 13.792 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.340 -7.609 16.138 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.682 -7.927 16.610 1.00 0.00 H new ATOM 563 N ASP A 37 -1.911 -9.392 14.743 1.00 0.00 N ATOM 564 CA ASP A 37 -0.496 -9.483 14.426 1.00 0.00 C ATOM 565 C ASP A 37 -0.318 -9.498 12.907 1.00 0.00 C ATOM 566 O ASP A 37 -0.603 -10.501 12.254 1.00 0.00 O ATOM 567 CB ASP A 37 0.112 -10.771 14.986 1.00 0.00 C ATOM 568 CG ASP A 37 -0.140 -11.011 16.476 1.00 0.00 C ATOM 569 OD1 ASP A 37 -0.112 -10.074 17.287 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.377 -12.238 16.797 1.00 0.00 O ATOM 0 H ASP A 37 -2.239 -10.072 15.429 1.00 0.00 H new ATOM 0 HA ASP A 37 0.005 -8.624 14.872 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.286 -11.617 14.425 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.188 -10.752 14.813 1.00 0.00 H new ATOM 576 N PRO A 38 0.166 -8.344 12.374 1.00 0.00 N ATOM 577 CA PRO A 38 0.385 -8.215 10.943 1.00 0.00 C ATOM 578 C PRO A 38 1.637 -8.980 10.509 1.00 0.00 C ATOM 579 O PRO A 38 1.749 -9.390 9.355 1.00 0.00 O ATOM 580 CB PRO A 38 0.488 -6.719 10.694 1.00 0.00 C ATOM 581 CG PRO A 38 0.787 -6.091 12.046 1.00 0.00 C ATOM 582 CD PRO A 38 0.515 -7.136 13.116 1.00 0.00 C ATOM 0 HA PRO A 38 -0.422 -8.649 10.353 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.278 -6.496 9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.440 -6.327 10.278 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.824 -5.759 12.092 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.163 -5.211 12.204 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.391 -7.297 13.744 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.297 -6.827 13.774 1.00 0.00 H new ATOM 590 N LYS A 39 2.546 -9.151 11.458 1.00 0.00 N ATOM 591 CA LYS A 39 3.785 -9.860 11.188 1.00 0.00 C ATOM 592 C LYS A 39 3.483 -11.109 10.359 1.00 0.00 C ATOM 593 O LYS A 39 4.312 -11.546 9.562 1.00 0.00 O ATOM 594 CB LYS A 39 4.530 -10.153 12.492 1.00 0.00 C ATOM 595 CG LYS A 39 5.885 -9.443 12.521 1.00 0.00 C ATOM 596 CD LYS A 39 6.472 -9.438 13.934 1.00 0.00 C ATOM 597 CE LYS A 39 7.920 -9.931 13.929 1.00 0.00 C ATOM 598 NZ LYS A 39 8.325 -10.362 15.285 1.00 0.00 N ATOM 0 H LYS A 39 2.449 -8.811 12.415 1.00 0.00 H new ATOM 0 HA LYS A 39 4.457 -9.239 10.596 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.927 -9.828 13.340 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.676 -11.228 12.598 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.575 -9.940 11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.770 -8.418 12.168 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.429 -8.430 14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.870 -10.073 14.584 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.025 -10.761 13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.580 -9.136 13.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.310 -10.694 15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.243 -9.561 15.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.706 -11.135 15.603 1.00 0.00 H new ATOM 611 N ALA A 40 2.292 -11.650 10.574 1.00 0.00 N ATOM 612 CA ALA A 40 1.870 -12.840 9.857 1.00 0.00 C ATOM 613 C ALA A 40 1.045 -12.429 8.635 1.00 0.00 C ATOM 614 O ALA A 40 -0.047 -12.950 8.415 1.00 0.00 O ATOM 615 CB ALA A 40 1.092 -13.758 10.803 1.00 0.00 C ATOM 0 H ALA A 40 1.606 -11.285 11.235 1.00 0.00 H new ATOM 0 HA ALA A 40 2.735 -13.398 9.499 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.775 -14.651 10.264 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.731 -14.045 11.638 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.215 -13.232 11.181 1.00 0.00 H new ATOM 621 N VAL A 41 1.600 -11.498 7.873 1.00 0.00 N ATOM 622 CA VAL A 41 0.929 -11.011 6.680 1.00 0.00 C ATOM 623 C VAL A 41 1.823 -9.984 5.981 1.00 0.00 C ATOM 624 O VAL A 41 2.696 -9.387 6.608 1.00 0.00 O ATOM 625 CB VAL A 41 -0.449 -10.454 7.044 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.415 -8.928 7.141 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.509 -10.917 6.043 1.00 0.00 C ATOM 0 H VAL A 41 2.506 -11.068 8.059 1.00 0.00 H new ATOM 0 HA VAL A 41 0.759 -11.827 5.978 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.721 -10.846 8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.407 -8.558 7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.297 -8.628 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.111 -8.509 6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.479 -10.507 6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.244 -10.568 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.561 -12.006 6.045 1.00 0.00 H new ATOM 637 N ARG A 42 1.574 -9.810 4.691 1.00 0.00 N ATOM 638 CA ARG A 42 2.345 -8.866 3.901 1.00 0.00 C ATOM 639 C ARG A 42 1.416 -7.853 3.229 1.00 0.00 C ATOM 640 O ARG A 42 0.204 -8.056 3.177 1.00 0.00 O ATOM 641 CB ARG A 42 3.164 -9.587 2.828 1.00 0.00 C ATOM 642 CG ARG A 42 4.608 -9.795 3.288 1.00 0.00 C ATOM 643 CD ARG A 42 5.531 -8.724 2.701 1.00 0.00 C ATOM 644 NE ARG A 42 5.479 -7.500 3.532 1.00 0.00 N ATOM 645 CZ ARG A 42 6.119 -6.352 3.227 1.00 0.00 C ATOM 646 NH1 ARG A 42 6.867 -6.260 2.107 1.00 0.00 N ATOM 647 NH2 ARG A 42 6.003 -5.319 4.042 1.00 0.00 N ATOM 0 H ARG A 42 0.849 -10.307 4.174 1.00 0.00 H new ATOM 0 HA ARG A 42 3.026 -8.347 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.708 -10.551 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.152 -9.007 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.655 -9.763 4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.952 -10.783 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.553 -9.099 2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.230 -8.493 1.679 1.00 0.00 H new ATOM 0 HE ARG A 42 4.925 -7.526 4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.952 -7.062 1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.347 -5.388 1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.436 -5.397 4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.480 -4.444 3.827 1.00 0.00 H new ATOM 660 N ALA A 43 2.020 -6.784 2.731 1.00 0.00 N ATOM 661 CA ALA A 43 1.262 -5.739 2.065 1.00 0.00 C ATOM 662 C ALA A 43 0.841 -6.226 0.676 1.00 0.00 C ATOM 663 O ALA A 43 -0.248 -5.903 0.205 1.00 0.00 O ATOM 664 CB ALA A 43 2.099 -4.460 2.005 1.00 0.00 C ATOM 0 H ALA A 43 3.026 -6.619 2.775 1.00 0.00 H new ATOM 0 HA ALA A 43 0.354 -5.509 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.530 -3.676 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.347 -4.140 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.017 -4.652 1.450 1.00 0.00 H new ATOM 670 N THR A 44 1.728 -6.994 0.060 1.00 0.00 N ATOM 671 CA THR A 44 1.462 -7.529 -1.264 1.00 0.00 C ATOM 672 C THR A 44 1.030 -8.994 -1.172 1.00 0.00 C ATOM 673 O THR A 44 1.383 -9.804 -2.028 1.00 0.00 O ATOM 674 CB THR A 44 2.713 -7.317 -2.119 1.00 0.00 C ATOM 675 OG1 THR A 44 3.203 -6.043 -1.708 1.00 0.00 O ATOM 676 CG2 THR A 44 2.385 -7.129 -3.602 1.00 0.00 C ATOM 0 H THR A 44 2.631 -7.258 0.454 1.00 0.00 H new ATOM 0 HA THR A 44 0.632 -7.008 -1.741 1.00 0.00 H new ATOM 0 HB THR A 44 3.381 -8.170 -2.001 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.015 -5.827 -2.212 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.308 -6.983 -4.163 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.870 -8.014 -3.976 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.743 -6.257 -3.725 1.00 0.00 H new ATOM 684 N THR A 45 0.274 -9.289 -0.125 1.00 0.00 N ATOM 685 CA THR A 45 -0.210 -10.643 0.091 1.00 0.00 C ATOM 686 C THR A 45 -1.574 -10.834 -0.575 1.00 0.00 C ATOM 687 O THR A 45 -2.372 -9.901 -0.642 1.00 0.00 O ATOM 688 CB THR A 45 -0.228 -10.903 1.598 1.00 0.00 C ATOM 689 OG1 THR A 45 0.832 -11.834 1.802 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.479 -11.661 2.046 1.00 0.00 C ATOM 0 H THR A 45 -0.016 -8.614 0.583 1.00 0.00 H new ATOM 0 HA THR A 45 0.449 -11.378 -0.372 1.00 0.00 H new ATOM 0 HB THR A 45 -0.168 -9.954 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.893 -12.057 2.754 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.442 -11.820 3.124 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.366 -11.079 1.795 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.522 -12.625 1.539 1.00 0.00 H new ATOM 698 N PRO A 46 -1.805 -12.082 -1.064 1.00 0.00 N ATOM 699 CA PRO A 46 -3.058 -12.408 -1.723 1.00 0.00 C ATOM 700 C PRO A 46 -4.189 -12.560 -0.704 1.00 0.00 C ATOM 701 O PRO A 46 -4.196 -13.503 0.086 1.00 0.00 O ATOM 702 CB PRO A 46 -2.777 -13.687 -2.493 1.00 0.00 C ATOM 703 CG PRO A 46 -1.524 -14.282 -1.871 1.00 0.00 C ATOM 704 CD PRO A 46 -0.882 -13.212 -1.003 1.00 0.00 C ATOM 0 HA PRO A 46 -3.397 -11.620 -2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.616 -14.379 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.626 -13.480 -3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.774 -15.159 -1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.832 -14.611 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.749 -13.560 0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.105 -12.938 -1.377 1.00 0.00 H new ATOM 712 N PHE A 47 -5.119 -11.617 -0.754 1.00 0.00 N ATOM 713 CA PHE A 47 -6.253 -11.635 0.155 1.00 0.00 C ATOM 714 C PHE A 47 -7.027 -12.949 0.040 1.00 0.00 C ATOM 715 O PHE A 47 -7.508 -13.480 1.041 1.00 0.00 O ATOM 716 CB PHE A 47 -7.170 -10.479 -0.252 1.00 0.00 C ATOM 717 CG PHE A 47 -7.865 -10.682 -1.599 1.00 0.00 C ATOM 718 CD1 PHE A 47 -8.998 -11.431 -1.675 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.350 -10.113 -2.723 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.643 -11.618 -2.926 1.00 0.00 C ATOM 721 CE2 PHE A 47 -7.996 -10.301 -3.973 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.128 -11.049 -4.048 1.00 0.00 C ATOM 0 H PHE A 47 -5.110 -10.836 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.907 -11.538 1.184 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.928 -10.341 0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.584 -9.561 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.407 -11.883 -0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.450 -9.519 -2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.543 -12.212 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.588 -9.849 -4.865 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.619 -11.191 -4.999 1.00 0.00 H new ATOM 732 N LYS A 48 -7.123 -13.438 -1.188 1.00 0.00 N ATOM 733 CA LYS A 48 -7.830 -14.680 -1.446 1.00 0.00 C ATOM 734 C LYS A 48 -7.207 -15.800 -0.610 1.00 0.00 C ATOM 735 O LYS A 48 -7.835 -16.833 -0.383 1.00 0.00 O ATOM 736 CB LYS A 48 -7.862 -14.977 -2.946 1.00 0.00 C ATOM 737 CG LYS A 48 -9.018 -15.916 -3.295 1.00 0.00 C ATOM 738 CD LYS A 48 -8.498 -17.244 -3.850 1.00 0.00 C ATOM 739 CE LYS A 48 -8.431 -17.210 -5.378 1.00 0.00 C ATOM 740 NZ LYS A 48 -7.121 -17.712 -5.850 1.00 0.00 N ATOM 0 H LYS A 48 -6.722 -12.996 -2.015 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.873 -14.595 -1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.965 -14.045 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.918 -15.428 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.622 -16.101 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.668 -15.441 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.508 -17.450 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.150 -18.057 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.233 -17.818 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.586 -16.191 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.092 -17.682 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.361 -17.115 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.988 -18.692 -5.528 1.00 0.00 H new ATOM 753 N GLU A 49 -5.980 -15.557 -0.175 1.00 0.00 N ATOM 754 CA GLU A 49 -5.265 -16.532 0.631 1.00 0.00 C ATOM 755 C GLU A 49 -5.445 -16.226 2.119 1.00 0.00 C ATOM 756 O GLU A 49 -5.496 -17.138 2.942 1.00 0.00 O ATOM 757 CB GLU A 49 -3.782 -16.572 0.256 1.00 0.00 C ATOM 758 CG GLU A 49 -3.552 -17.451 -0.976 1.00 0.00 C ATOM 759 CD GLU A 49 -3.007 -18.824 -0.575 1.00 0.00 C ATOM 760 OE1 GLU A 49 -3.763 -19.807 -0.548 1.00 0.00 O ATOM 761 OE2 GLU A 49 -1.751 -18.849 -0.285 1.00 0.00 O ATOM 0 H GLU A 49 -5.462 -14.699 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.684 -17.518 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.426 -15.561 0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.201 -16.956 1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.488 -17.572 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.851 -16.961 -1.652 1.00 0.00 H new ATOM 769 N LEU A 50 -5.538 -14.939 2.419 1.00 0.00 N ATOM 770 CA LEU A 50 -5.712 -14.501 3.793 1.00 0.00 C ATOM 771 C LEU A 50 -7.057 -15.006 4.318 1.00 0.00 C ATOM 772 O LEU A 50 -7.217 -15.222 5.518 1.00 0.00 O ATOM 773 CB LEU A 50 -5.541 -12.984 3.898 1.00 0.00 C ATOM 774 CG LEU A 50 -6.832 -12.162 3.904 1.00 0.00 C ATOM 775 CD1 LEU A 50 -7.441 -12.109 5.307 1.00 0.00 C ATOM 776 CD2 LEU A 50 -6.595 -10.765 3.328 1.00 0.00 C ATOM 0 H LEU A 50 -5.496 -14.185 1.733 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.939 -14.930 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.989 -12.763 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.924 -12.649 3.064 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.556 -12.657 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.357 -11.519 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.669 -13.120 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.731 -11.650 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.528 -10.202 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.848 -10.246 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.240 -10.850 2.301 1.00 0.00 H new ATOM 788 N GLY A 51 -7.990 -15.179 3.393 1.00 0.00 N ATOM 789 CA GLY A 51 -9.316 -15.654 3.748 1.00 0.00 C ATOM 790 C GLY A 51 -10.363 -14.556 3.551 1.00 0.00 C ATOM 791 O GLY A 51 -11.224 -14.353 4.406 1.00 0.00 O ATOM 0 H GLY A 51 -7.854 -14.999 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.572 -16.519 3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.322 -15.985 4.787 1.00 0.00 H new ATOM 795 N PHE A 52 -10.256 -13.877 2.419 1.00 0.00 N ATOM 796 CA PHE A 52 -11.182 -12.804 2.098 1.00 0.00 C ATOM 797 C PHE A 52 -11.967 -13.121 0.824 1.00 0.00 C ATOM 798 O PHE A 52 -11.414 -13.662 -0.132 1.00 0.00 O ATOM 799 CB PHE A 52 -10.346 -11.544 1.869 1.00 0.00 C ATOM 800 CG PHE A 52 -10.189 -10.666 3.112 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.312 -11.214 4.351 1.00 0.00 C ATOM 802 CD2 PHE A 52 -9.927 -9.339 2.979 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.167 -10.399 5.505 1.00 0.00 C ATOM 804 CE2 PHE A 52 -9.782 -8.524 4.133 1.00 0.00 C ATOM 805 CZ PHE A 52 -9.905 -9.071 5.371 1.00 0.00 C ATOM 0 H PHE A 52 -9.541 -14.049 1.712 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.897 -12.674 2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.357 -11.836 1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.806 -10.954 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.520 -12.268 4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.829 -8.904 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.265 -10.834 6.489 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.574 -7.470 4.027 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.795 -8.451 6.249 1.00 0.00 H new ATOM 815 N ASP A 53 -13.244 -12.768 0.850 1.00 0.00 N ATOM 816 CA ASP A 53 -14.110 -13.008 -0.291 1.00 0.00 C ATOM 817 C ASP A 53 -15.332 -12.092 -0.200 1.00 0.00 C ATOM 818 O ASP A 53 -15.396 -11.067 -0.877 1.00 0.00 O ATOM 819 CB ASP A 53 -14.606 -14.455 -0.313 1.00 0.00 C ATOM 820 CG ASP A 53 -14.436 -15.217 1.003 1.00 0.00 C ATOM 821 OD1 ASP A 53 -15.028 -14.854 2.031 1.00 0.00 O ATOM 822 OD2 ASP A 53 -13.647 -16.236 0.946 1.00 0.00 O ATOM 0 H ASP A 53 -13.699 -12.318 1.644 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.536 -12.810 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.662 -14.457 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.075 -14.993 -1.098 1.00 0.00 H new ATOM 828 N SER A 54 -16.272 -12.494 0.644 1.00 0.00 N ATOM 829 CA SER A 54 -17.488 -11.722 0.832 1.00 0.00 C ATOM 830 C SER A 54 -17.649 -11.351 2.308 1.00 0.00 C ATOM 831 O SER A 54 -17.446 -10.198 2.687 1.00 0.00 O ATOM 832 CB SER A 54 -18.714 -12.496 0.344 1.00 0.00 C ATOM 833 OG SER A 54 -18.613 -12.841 -1.035 1.00 0.00 O ATOM 0 H SER A 54 -16.215 -13.344 1.205 1.00 0.00 H new ATOM 0 HA SER A 54 -17.408 -10.810 0.240 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.830 -13.403 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.609 -11.895 0.503 1.00 0.00 H new ATOM 0 HG SER A 54 -19.414 -13.335 -1.308 1.00 0.00 H new ATOM 839 N LEU A 55 -18.011 -12.349 3.100 1.00 0.00 N ATOM 840 CA LEU A 55 -18.201 -12.141 4.526 1.00 0.00 C ATOM 841 C LEU A 55 -17.049 -11.296 5.072 1.00 0.00 C ATOM 842 O LEU A 55 -17.274 -10.239 5.660 1.00 0.00 O ATOM 843 CB LEU A 55 -18.375 -13.481 5.244 1.00 0.00 C ATOM 844 CG LEU A 55 -19.617 -13.613 6.127 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.586 -14.652 5.560 1.00 0.00 C ATOM 846 CD2 LEU A 55 -19.229 -13.920 7.575 1.00 0.00 C ATOM 0 H LEU A 55 -18.178 -13.304 2.782 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.120 -11.585 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.401 -14.272 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.494 -13.657 5.862 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.138 -12.656 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.460 -14.726 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.899 -14.350 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.090 -15.621 5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.130 -14.009 8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -18.673 -14.857 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -18.608 -13.113 7.964 1.00 0.00 H new ATOM 858 N ALA A 56 -15.839 -11.793 4.858 1.00 0.00 N ATOM 859 CA ALA A 56 -14.651 -11.097 5.322 1.00 0.00 C ATOM 860 C ALA A 56 -14.549 -9.745 4.614 1.00 0.00 C ATOM 861 O ALA A 56 -14.089 -8.766 5.200 1.00 0.00 O ATOM 862 CB ALA A 56 -13.420 -11.974 5.084 1.00 0.00 C ATOM 0 H ALA A 56 -15.656 -12.669 4.369 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.712 -10.905 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.529 -11.452 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.529 -12.910 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.324 -12.185 4.019 1.00 0.00 H new ATOM 868 N ALA A 57 -14.986 -9.733 3.363 1.00 0.00 N ATOM 869 CA ALA A 57 -14.950 -8.517 2.569 1.00 0.00 C ATOM 870 C ALA A 57 -15.920 -7.495 3.164 1.00 0.00 C ATOM 871 O ALA A 57 -15.704 -6.289 3.050 1.00 0.00 O ATOM 872 CB ALA A 57 -15.276 -8.849 1.111 1.00 0.00 C ATOM 0 H ALA A 57 -15.367 -10.547 2.880 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.953 -8.076 2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.249 -7.937 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.541 -9.556 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.270 -9.291 1.052 1.00 0.00 H new ATOM 878 N VAL A 58 -16.968 -8.014 3.787 1.00 0.00 N ATOM 879 CA VAL A 58 -17.972 -7.162 4.400 1.00 0.00 C ATOM 880 C VAL A 58 -17.431 -6.615 5.723 1.00 0.00 C ATOM 881 O VAL A 58 -17.471 -5.409 5.963 1.00 0.00 O ATOM 882 CB VAL A 58 -19.284 -7.932 4.564 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.080 -7.412 5.763 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.119 -7.871 3.283 1.00 0.00 C ATOM 0 H VAL A 58 -17.143 -9.014 3.880 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.190 -6.308 3.759 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.038 -8.977 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.008 -7.977 5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.489 -7.532 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.311 -6.357 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.046 -8.426 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.351 -6.832 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.556 -8.312 2.460 1.00 0.00 H new ATOM 894 N ARG A 59 -16.938 -7.528 6.546 1.00 0.00 N ATOM 895 CA ARG A 59 -16.390 -7.152 7.838 1.00 0.00 C ATOM 896 C ARG A 59 -15.287 -6.105 7.663 1.00 0.00 C ATOM 897 O ARG A 59 -15.135 -5.213 8.496 1.00 0.00 O ATOM 898 CB ARG A 59 -15.817 -8.368 8.569 1.00 0.00 C ATOM 899 CG ARG A 59 -16.360 -8.457 9.996 1.00 0.00 C ATOM 900 CD ARG A 59 -17.779 -9.028 10.009 1.00 0.00 C ATOM 901 NE ARG A 59 -18.098 -9.564 11.351 1.00 0.00 N ATOM 902 CZ ARG A 59 -17.814 -10.822 11.751 1.00 0.00 C ATOM 903 NH1 ARG A 59 -17.202 -11.685 10.913 1.00 0.00 N ATOM 904 NH2 ARG A 59 -18.144 -11.194 12.974 1.00 0.00 N ATOM 0 H ARG A 59 -16.906 -8.527 6.344 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.202 -6.734 8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.069 -9.277 8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.729 -8.302 8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.706 -9.086 10.599 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.359 -7.467 10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.495 -8.251 9.739 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.869 -9.817 9.263 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.561 -8.944 12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.951 -11.389 9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.991 -12.634 11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.606 -10.535 13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.937 -12.141 13.292 1.00 0.00 H new ATOM 917 N LEU A 60 -14.547 -6.249 6.574 1.00 0.00 N ATOM 918 CA LEU A 60 -13.463 -5.327 6.279 1.00 0.00 C ATOM 919 C LEU A 60 -14.048 -3.988 5.825 1.00 0.00 C ATOM 920 O LEU A 60 -13.711 -2.941 6.375 1.00 0.00 O ATOM 921 CB LEU A 60 -12.491 -5.947 5.273 1.00 0.00 C ATOM 922 CG LEU A 60 -11.272 -5.099 4.908 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.147 -5.287 5.928 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.806 -5.393 3.480 1.00 0.00 C ATOM 0 H LEU A 60 -14.676 -6.990 5.885 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.875 -5.131 7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.140 -6.897 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.040 -6.171 4.358 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.565 -4.050 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.292 -4.673 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.498 -4.987 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.849 -6.335 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.938 -4.777 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.537 -6.446 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.611 -5.166 2.781 1.00 0.00 H new ATOM 936 N ARG A 61 -14.913 -4.066 4.825 1.00 0.00 N ATOM 937 CA ARG A 61 -15.548 -2.873 4.290 1.00 0.00 C ATOM 938 C ARG A 61 -16.077 -1.998 5.429 1.00 0.00 C ATOM 939 O ARG A 61 -16.135 -0.776 5.302 1.00 0.00 O ATOM 940 CB ARG A 61 -16.703 -3.236 3.355 1.00 0.00 C ATOM 941 CG ARG A 61 -16.359 -2.902 1.903 1.00 0.00 C ATOM 942 CD ARG A 61 -16.815 -1.487 1.542 1.00 0.00 C ATOM 943 NE ARG A 61 -16.380 -0.533 2.587 1.00 0.00 N ATOM 944 CZ ARG A 61 -15.094 -0.186 2.807 1.00 0.00 C ATOM 945 NH1 ARG A 61 -14.104 -0.713 2.055 1.00 0.00 N ATOM 946 NH2 ARG A 61 -14.819 0.676 3.768 1.00 0.00 N ATOM 0 H ARG A 61 -15.189 -4.937 4.371 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.797 -2.323 3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.927 -4.299 3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.601 -2.695 3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.283 -2.991 1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.836 -3.622 1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.399 -1.197 0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.900 -1.460 1.442 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.097 -0.111 3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.325 -1.378 1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.135 -0.446 2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.573 1.069 4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.853 0.949 3.947 1.00 0.00 H new ATOM 959 N ASN A 62 -16.451 -2.658 6.515 1.00 0.00 N ATOM 960 CA ASN A 62 -16.973 -1.956 7.675 1.00 0.00 C ATOM 961 C ASN A 62 -15.818 -1.297 8.430 1.00 0.00 C ATOM 962 O ASN A 62 -15.966 -0.198 8.963 1.00 0.00 O ATOM 963 CB ASN A 62 -17.676 -2.921 8.633 1.00 0.00 C ATOM 964 CG ASN A 62 -19.189 -2.913 8.407 1.00 0.00 C ATOM 965 OD1 ASN A 62 -19.931 -2.166 9.023 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.603 -3.784 7.491 1.00 0.00 N ATOM 0 H ASN A 62 -16.403 -3.672 6.616 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.688 -1.211 7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.288 -3.929 8.488 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.457 -2.640 9.663 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.596 -3.856 7.267 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.928 -4.380 7.012 1.00 0.00 H new ATOM 973 N LEU A 63 -14.693 -1.997 8.453 1.00 0.00 N ATOM 974 CA LEU A 63 -13.512 -1.493 9.135 1.00 0.00 C ATOM 975 C LEU A 63 -12.821 -0.455 8.249 1.00 0.00 C ATOM 976 O LEU A 63 -12.555 0.663 8.689 1.00 0.00 O ATOM 977 CB LEU A 63 -12.601 -2.649 9.552 1.00 0.00 C ATOM 978 CG LEU A 63 -12.406 -2.840 11.058 1.00 0.00 C ATOM 979 CD1 LEU A 63 -11.568 -1.705 11.650 1.00 0.00 C ATOM 980 CD2 LEU A 63 -13.752 -2.990 11.770 1.00 0.00 C ATOM 0 H LEU A 63 -14.574 -2.908 8.011 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.792 -0.988 10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.006 -3.572 9.138 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.623 -2.498 9.095 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.853 -3.766 11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.444 -1.865 12.721 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.589 -1.687 11.170 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.073 -0.754 11.481 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.585 -3.124 12.839 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.352 -2.095 11.606 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.279 -3.858 11.373 1.00 0.00 H new ATOM 992 N LEU A 64 -12.550 -0.860 7.017 1.00 0.00 N ATOM 993 CA LEU A 64 -11.895 0.021 6.066 1.00 0.00 C ATOM 994 C LEU A 64 -12.637 1.358 6.022 1.00 0.00 C ATOM 995 O LEU A 64 -12.017 2.413 5.898 1.00 0.00 O ATOM 996 CB LEU A 64 -11.772 -0.659 4.701 1.00 0.00 C ATOM 997 CG LEU A 64 -10.374 -1.151 4.320 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.311 -1.529 2.839 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.309 -0.118 4.694 1.00 0.00 C ATOM 0 H LEU A 64 -12.772 -1.787 6.655 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.874 0.232 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.453 -1.509 4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.110 0.041 3.937 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.161 -2.054 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.307 -1.875 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.029 -2.324 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.553 -0.658 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.325 -0.492 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.507 0.815 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.336 0.060 5.769 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.955 1.271 6.126 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.789 2.461 6.099 1.00 0.00 C ATOM 1013 C ASN A 65 -14.360 3.404 7.225 1.00 0.00 C ATOM 1014 O ASN A 65 -14.653 4.598 7.185 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.262 2.107 6.314 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.079 2.373 5.048 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -16.554 2.505 3.955 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -18.391 2.443 5.257 1.00 0.00 N ATOM 0 H ASN A 65 -14.466 0.394 6.229 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.671 2.934 5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.350 1.057 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.664 2.693 7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.023 2.617 4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.765 2.323 6.199 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.674 2.831 8.204 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.203 3.606 9.339 1.00 0.00 C ATOM 1027 C ALA A 66 -11.772 4.076 9.071 1.00 0.00 C ATOM 1028 O ALA A 66 -11.294 5.016 9.705 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.311 2.764 10.612 1.00 0.00 C ATOM 0 H ALA A 66 -13.434 1.840 8.234 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.820 4.493 9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.958 3.345 11.464 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.351 2.480 10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.701 1.866 10.507 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.127 3.401 8.131 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.760 3.739 7.771 1.00 0.00 C ATOM 1037 C ALA A 67 -9.740 5.107 7.088 1.00 0.00 C ATOM 1038 O ALA A 67 -8.723 5.799 7.105 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.179 2.636 6.884 1.00 0.00 C ATOM 0 H ALA A 67 -11.526 2.622 7.608 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.134 3.806 8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.154 2.889 6.614 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.189 1.690 7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.780 2.542 5.980 1.00 0.00 H new ATOM 1045 N THR A 68 -10.876 5.458 6.503 1.00 0.00 N ATOM 1046 CA THR A 68 -11.002 6.732 5.815 1.00 0.00 C ATOM 1047 C THR A 68 -12.227 7.494 6.324 1.00 0.00 C ATOM 1048 O THR A 68 -12.162 8.701 6.550 1.00 0.00 O ATOM 1049 CB THR A 68 -11.040 6.455 4.311 1.00 0.00 C ATOM 1050 OG1 THR A 68 -11.801 5.256 4.197 1.00 0.00 O ATOM 1051 CG2 THR A 68 -9.667 6.080 3.749 1.00 0.00 C ATOM 0 H THR A 68 -11.718 4.882 6.491 1.00 0.00 H new ATOM 0 HA THR A 68 -10.148 7.378 6.020 1.00 0.00 H new ATOM 0 HB THR A 68 -11.417 7.335 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.729 5.478 3.973 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.751 5.894 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.967 6.898 3.922 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.304 5.181 4.246 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.316 6.757 6.489 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.554 7.349 6.967 1.00 0.00 C ATOM 1061 C GLY A 69 -15.526 7.596 5.811 1.00 0.00 C ATOM 1062 O GLY A 69 -16.566 8.227 5.994 1.00 0.00 O ATOM 0 H GLY A 69 -13.367 5.756 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.017 6.690 7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.339 8.290 7.474 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.152 7.086 4.647 1.00 0.00 N ATOM 1067 CA LEU A 70 -15.977 7.244 3.461 1.00 0.00 C ATOM 1068 C LEU A 70 -16.535 5.880 3.049 1.00 0.00 C ATOM 1069 O LEU A 70 -16.183 4.858 3.636 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.193 7.948 2.352 1.00 0.00 C ATOM 1071 CG LEU A 70 -13.848 7.321 1.979 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.038 5.907 1.425 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.075 8.218 1.010 1.00 0.00 C ATOM 0 H LEU A 70 -14.289 6.563 4.500 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.830 7.888 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.816 7.981 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.018 8.980 2.657 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.248 7.234 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.067 5.484 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.518 5.282 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.664 5.946 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.123 7.749 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.659 8.359 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.892 9.186 1.477 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.397 5.909 2.043 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.007 4.688 1.545 1.00 0.00 C ATOM 1087 C ARG A 71 -17.208 4.139 0.362 1.00 0.00 C ATOM 1088 O ARG A 71 -17.286 4.671 -0.745 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.452 4.934 1.106 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.027 3.705 0.398 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.554 3.769 0.342 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.136 2.907 1.395 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.433 2.538 1.441 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -24.297 2.953 0.490 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -23.845 1.764 2.428 1.00 0.00 N ATOM 0 H ARG A 71 -17.687 6.759 1.559 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.005 3.961 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.064 5.177 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.491 5.794 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -19.625 3.642 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.716 2.801 0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.888 4.798 0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.904 3.446 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.517 2.571 2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.971 3.550 -0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.276 2.670 0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -23.186 1.454 3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.822 1.476 2.477 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.457 3.082 0.635 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.644 2.455 -0.393 1.00 0.00 C ATOM 1110 C LEU A 72 -16.497 1.449 -1.169 1.00 0.00 C ATOM 1111 O LEU A 72 -17.594 1.097 -0.738 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.381 1.847 0.219 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.154 2.761 0.271 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.044 2.140 1.121 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.670 3.110 -1.137 1.00 0.00 C ATOM 0 H LEU A 72 -16.395 2.644 1.554 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.296 3.199 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.612 1.524 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.120 0.953 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.444 3.695 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.184 2.809 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.407 1.985 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.749 1.183 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.798 3.760 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.402 2.196 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.465 3.623 -1.678 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.946 1.003 -2.329 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.644 0.044 -3.169 1.00 0.00 C ATOM 1129 C PRO A 73 -16.588 -1.359 -2.562 1.00 0.00 C ATOM 1130 O PRO A 73 -15.602 -1.724 -1.923 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.958 0.134 -4.522 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.613 0.793 -4.265 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.649 1.397 -2.871 1.00 0.00 C ATOM 0 HA PRO A 73 -17.708 0.262 -3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.830 -0.855 -4.962 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.552 0.720 -5.223 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.808 0.062 -4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.417 1.564 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.832 1.021 -2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.548 2.482 -2.907 1.00 0.00 H new ATOM 1141 N SER A 74 -17.658 -2.108 -2.784 1.00 0.00 N ATOM 1142 CA SER A 74 -17.743 -3.463 -2.267 1.00 0.00 C ATOM 1143 C SER A 74 -16.771 -4.373 -3.020 1.00 0.00 C ATOM 1144 O SER A 74 -16.380 -5.424 -2.515 1.00 0.00 O ATOM 1145 CB SER A 74 -19.170 -4.006 -2.375 1.00 0.00 C ATOM 1146 OG SER A 74 -19.676 -3.916 -3.704 1.00 0.00 O ATOM 0 H SER A 74 -18.473 -1.802 -3.315 1.00 0.00 H new ATOM 0 HA SER A 74 -17.469 -3.444 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.188 -5.046 -2.050 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.821 -3.450 -1.701 1.00 0.00 H new ATOM 0 HG SER A 74 -20.588 -4.274 -3.732 1.00 0.00 H new ATOM 1152 N THR A 75 -16.409 -3.936 -4.218 1.00 0.00 N ATOM 1153 CA THR A 75 -15.490 -4.698 -5.046 1.00 0.00 C ATOM 1154 C THR A 75 -14.054 -4.524 -4.548 1.00 0.00 C ATOM 1155 O THR A 75 -13.157 -5.257 -4.961 1.00 0.00 O ATOM 1156 CB THR A 75 -15.687 -4.258 -6.498 1.00 0.00 C ATOM 1157 OG1 THR A 75 -15.379 -2.867 -6.485 1.00 0.00 O ATOM 1158 CG2 THR A 75 -17.154 -4.311 -6.932 1.00 0.00 C ATOM 0 H THR A 75 -16.736 -3.064 -4.634 1.00 0.00 H new ATOM 0 HA THR A 75 -15.695 -5.767 -4.984 1.00 0.00 H new ATOM 0 HB THR A 75 -15.091 -4.893 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.480 -2.501 -7.389 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.238 -3.989 -7.970 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.525 -5.332 -6.837 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.745 -3.650 -6.298 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.881 -3.549 -3.668 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.569 -3.269 -3.110 1.00 0.00 C ATOM 1168 C LEU A 76 -11.847 -4.588 -2.829 1.00 0.00 C ATOM 1169 O LEU A 76 -10.701 -4.772 -3.236 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.691 -2.362 -1.884 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.396 -2.099 -1.112 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.388 -0.689 -0.518 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.165 -3.171 -0.046 1.00 0.00 C ATOM 0 H LEU A 76 -14.628 -2.943 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.960 -2.718 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.100 -1.404 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.415 -2.805 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.563 -2.158 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.457 -0.528 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.471 0.044 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.230 -0.577 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.238 -2.960 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.997 -3.169 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.095 -4.149 -0.523 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.548 -5.473 -2.134 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.988 -6.770 -1.794 1.00 0.00 C ATOM 1187 C VAL A 77 -12.237 -7.746 -2.946 1.00 0.00 C ATOM 1188 O VAL A 77 -12.610 -8.896 -2.720 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.565 -7.256 -0.463 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.108 -8.684 -0.156 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.193 -6.305 0.676 1.00 0.00 C ATOM 0 H VAL A 77 -13.498 -5.317 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.909 -6.697 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.651 -7.263 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.532 -9.005 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.446 -9.352 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.020 -8.713 -0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.616 -6.674 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.108 -6.251 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.590 -5.312 0.465 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.021 -7.251 -4.155 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.217 -8.065 -5.343 1.00 0.00 C ATOM 1203 C PHE A 78 -11.235 -7.670 -6.447 1.00 0.00 C ATOM 1204 O PHE A 78 -10.640 -8.532 -7.092 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.645 -7.808 -5.830 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.256 -8.975 -6.609 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.767 -10.044 -5.942 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -14.287 -8.943 -7.969 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -15.334 -11.127 -6.665 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -14.854 -10.026 -8.691 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.366 -11.095 -8.024 1.00 0.00 C ATOM 0 H PHE A 78 -11.712 -6.296 -4.338 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.051 -9.116 -5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.277 -7.588 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.648 -6.921 -6.463 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.742 -10.070 -4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -13.881 -8.094 -8.499 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.740 -11.976 -6.135 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -14.879 -10.001 -9.770 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.798 -11.918 -8.574 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.095 -6.366 -6.632 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.195 -5.845 -7.647 1.00 0.00 C ATOM 1223 C ASP A 79 -8.810 -5.630 -7.033 1.00 0.00 C ATOM 1224 O ASP A 79 -7.841 -5.386 -7.749 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.688 -4.500 -8.183 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.313 -4.207 -9.637 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -9.151 -4.363 -10.041 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -11.285 -3.796 -10.379 1.00 0.00 O ATOM 0 H ASP A 79 -11.590 -5.654 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.155 -6.566 -8.464 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.773 -4.464 -8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.287 -3.706 -7.553 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.762 -5.730 -5.713 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.512 -5.549 -4.994 1.00 0.00 C ATOM 1236 C HIS A 80 -6.900 -6.915 -4.678 1.00 0.00 C ATOM 1237 O HIS A 80 -7.450 -7.677 -3.884 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.722 -4.690 -3.746 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.760 -5.478 -2.458 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.879 -5.533 -1.645 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.806 -6.241 -1.851 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.599 -6.297 -0.600 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.314 -6.735 -0.729 1.00 0.00 N ATOM 0 H HIS A 80 -9.568 -5.934 -5.122 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.803 -5.008 -5.621 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.921 -3.953 -3.686 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.656 -4.138 -3.850 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -9.768 -5.065 -1.821 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.806 -6.414 -2.221 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.271 -6.532 0.212 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.740 -7.191 -5.332 1.00 0.00 N ATOM 1252 CA PRO A 81 -5.047 -8.452 -5.129 1.00 0.00 C ATOM 1253 C PRO A 81 -4.330 -8.472 -3.777 1.00 0.00 C ATOM 1254 O PRO A 81 -4.188 -9.527 -3.161 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.096 -8.573 -6.308 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.955 -7.170 -6.875 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.060 -6.313 -6.280 1.00 0.00 C ATOM 0 HA PRO A 81 -5.726 -9.304 -5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.130 -8.965 -5.992 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.489 -9.260 -7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.977 -6.756 -6.630 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.030 -7.188 -7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.654 -5.432 -5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.744 -5.957 -7.051 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.896 -7.293 -3.357 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.197 -7.161 -2.090 1.00 0.00 C ATOM 1267 C ASN A 82 -3.489 -5.784 -1.491 1.00 0.00 C ATOM 1268 O ASN A 82 -3.993 -4.898 -2.180 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.683 -7.282 -2.281 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.352 -8.127 -3.512 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.704 -9.405 -3.403 1.00 0.00 O flip ATOM 1272 ND2 ASN A 82 -0.812 -7.650 -4.497 1.00 0.00 N flip ATOM 0 H ASN A 82 -4.015 -6.420 -3.872 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.543 -7.957 -1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.246 -6.289 -2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.236 -7.733 -1.395 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.568 -6.660 -4.516 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.605 -8.241 -5.302 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.160 -5.646 -0.215 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.381 -4.392 0.484 1.00 0.00 C ATOM 1281 C ALA A 83 -2.728 -3.253 -0.303 1.00 0.00 C ATOM 1282 O ALA A 83 -3.374 -2.248 -0.598 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.840 -4.500 1.911 1.00 0.00 C ATOM 0 H ALA A 83 -2.742 -6.383 0.353 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.447 -4.175 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.006 -3.559 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.356 -5.304 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.772 -4.714 1.880 1.00 0.00 H new ATOM 1289 N SER A 84 -1.457 -3.448 -0.620 1.00 0.00 N ATOM 1290 CA SER A 84 -0.710 -2.450 -1.367 1.00 0.00 C ATOM 1291 C SER A 84 -1.603 -1.822 -2.438 1.00 0.00 C ATOM 1292 O SER A 84 -1.447 -0.647 -2.770 1.00 0.00 O ATOM 1293 CB SER A 84 0.538 -3.061 -2.007 1.00 0.00 C ATOM 1294 OG SER A 84 1.658 -2.183 -1.939 1.00 0.00 O ATOM 0 H SER A 84 -0.925 -4.283 -0.373 1.00 0.00 H new ATOM 0 HA SER A 84 -0.386 -1.675 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.781 -3.998 -1.505 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.330 -3.302 -3.049 1.00 0.00 H new ATOM 0 HG SER A 84 2.435 -2.611 -2.357 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.519 -2.631 -2.949 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.437 -2.169 -3.976 1.00 0.00 C ATOM 1302 C ALA A 85 -4.653 -1.520 -3.313 1.00 0.00 C ATOM 1303 O ALA A 85 -5.074 -0.434 -3.707 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.822 -3.340 -4.882 1.00 0.00 C ATOM 0 H ALA A 85 -2.645 -3.604 -2.671 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.962 -1.415 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.511 -2.993 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.926 -3.746 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.304 -4.117 -4.288 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.183 -2.213 -2.316 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.343 -1.718 -1.594 1.00 0.00 C ATOM 1312 C VAL A 86 -6.038 -0.324 -1.041 1.00 0.00 C ATOM 1313 O VAL A 86 -6.878 0.572 -1.108 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.748 -2.716 -0.507 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -6.170 -2.313 0.851 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -8.270 -2.860 -0.434 1.00 0.00 C ATOM 0 H VAL A 86 -4.831 -3.113 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.197 -1.622 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.332 -3.688 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.473 -3.039 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.082 -2.286 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.543 -1.326 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.531 -3.575 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.716 -1.893 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.648 -3.215 -1.393 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.833 -0.185 -0.508 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.406 1.084 0.055 1.00 0.00 C ATOM 1328 C ALA A 87 -4.678 2.202 -0.953 1.00 0.00 C ATOM 1329 O ALA A 87 -5.266 3.226 -0.608 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.930 0.999 0.447 1.00 0.00 C ATOM 0 H ALA A 87 -4.139 -0.931 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.970 1.311 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.610 1.952 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.795 0.210 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.331 0.774 -0.436 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.236 1.968 -2.180 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.424 2.943 -3.242 1.00 0.00 C ATOM 1338 C GLY A 88 -5.911 3.208 -3.486 1.00 0.00 C ATOM 1339 O GLY A 88 -6.404 4.302 -3.213 1.00 0.00 O ATOM 0 H GLY A 88 -3.748 1.118 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.923 3.875 -2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.960 2.581 -4.159 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.585 2.188 -3.997 1.00 0.00 N ATOM 1344 CA PHE A 89 -8.006 2.297 -4.280 1.00 0.00 C ATOM 1345 C PHE A 89 -8.712 3.151 -3.225 1.00 0.00 C ATOM 1346 O PHE A 89 -9.668 3.860 -3.534 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.580 0.879 -4.240 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.568 0.575 -5.368 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -9.116 0.083 -6.553 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -10.897 0.796 -5.186 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -10.032 -0.199 -7.600 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -11.814 0.514 -6.234 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.362 0.022 -7.418 1.00 0.00 C ATOM 0 H PHE A 89 -6.173 1.282 -4.222 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.157 2.770 -5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.759 0.164 -4.288 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.079 0.727 -3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.060 -0.093 -6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -11.256 1.186 -4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.673 -0.589 -8.541 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.870 0.690 -6.090 1.00 0.00 H new ATOM 0 HZ PHE A 89 -12.059 -0.193 -8.214 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.214 3.054 -2.002 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.785 3.808 -0.899 1.00 0.00 C ATOM 1365 C LEU A 90 -8.168 5.208 -0.871 1.00 0.00 C ATOM 1366 O LEU A 90 -8.886 6.206 -0.823 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.627 3.041 0.415 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.108 3.762 1.675 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -10.335 4.626 1.378 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.367 2.769 2.810 1.00 0.00 C ATOM 0 H LEU A 90 -7.421 2.464 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.858 3.934 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.169 2.099 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.574 2.792 0.543 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.316 4.432 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.656 5.127 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.081 5.372 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.143 3.995 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.708 3.308 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.132 2.056 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.446 2.235 3.043 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.844 5.237 -0.903 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.122 6.498 -0.882 1.00 0.00 C ATOM 1384 C ASP A 91 -6.550 7.346 -2.082 1.00 0.00 C ATOM 1385 O ASP A 91 -6.418 8.568 -2.062 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.612 6.270 -0.979 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.762 7.194 -0.105 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -4.257 8.192 0.440 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.524 6.850 0.009 1.00 0.00 O ATOM 0 H ASP A 91 -6.252 4.407 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.351 7.002 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.397 5.237 -0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.307 6.395 -2.018 1.00 0.00 H new ATOM 1395 N ALA A 92 -7.054 6.662 -3.099 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.501 7.337 -4.306 1.00 0.00 C ATOM 1397 C ALA A 92 -8.939 7.823 -4.109 1.00 0.00 C ATOM 1398 O ALA A 92 -9.329 8.855 -4.652 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.364 6.392 -5.501 1.00 0.00 C ATOM 0 H ALA A 92 -7.163 5.648 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.881 8.210 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.699 6.899 -6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.320 6.099 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.974 5.504 -5.335 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.688 7.055 -3.332 1.00 0.00 N ATOM 1406 CA GLU A 93 -11.074 7.394 -3.057 1.00 0.00 C ATOM 1407 C GLU A 93 -11.161 8.349 -1.865 1.00 0.00 C ATOM 1408 O GLU A 93 -12.158 9.048 -1.696 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.909 6.135 -2.813 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.195 5.404 -4.126 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.701 5.265 -4.359 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.490 5.407 -3.413 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.043 5.000 -5.574 1.00 0.00 O ATOM 0 H GLU A 93 -9.361 6.199 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.484 7.898 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.380 5.470 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.849 6.405 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.744 5.949 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.734 4.417 -4.105 1.00 0.00 H new ATOM 1421 N LEU A 94 -10.102 8.347 -1.068 1.00 0.00 N ATOM 1422 CA LEU A 94 -10.045 9.205 0.103 1.00 0.00 C ATOM 1423 C LEU A 94 -9.406 10.541 -0.278 1.00 0.00 C ATOM 1424 O LEU A 94 -9.682 11.566 0.345 1.00 0.00 O ATOM 1425 CB LEU A 94 -9.336 8.491 1.256 1.00 0.00 C ATOM 1426 CG LEU A 94 -7.940 9.008 1.607 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.020 10.185 2.581 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -7.056 7.880 2.144 1.00 0.00 C ATOM 0 H LEU A 94 -9.277 7.765 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.050 9.424 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.963 8.566 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.258 7.432 1.009 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.473 9.376 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.014 10.533 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.588 10.996 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.515 9.865 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.069 8.275 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.508 7.459 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.960 7.101 1.387 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.565 10.488 -1.301 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.885 11.682 -1.773 1.00 0.00 C ATOM 1442 C GLY A 95 -8.886 12.708 -2.308 1.00 0.00 C ATOM 1443 O GLY A 95 -8.785 13.139 -3.456 1.00 0.00 O ATOM 0 H GLY A 95 -8.339 9.637 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.308 12.122 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.177 11.415 -2.558 1.00 0.00 H new TER 1447 GLY A 95