USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 771 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 57 GLN : amide:sc= -1.18! C(o=-5.1!,f=-9.7!) USER MOD Set 1.2: A 62 CYS SG : rot 124:sc= -3.94! USER MOD Set 2.1: A 9 SER OG : rot 93:sc= -0.226 USER MOD Set 2.2: A 81 CYS SG : rot -112:sc= -0.32 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0959 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 1.01 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 138:sc= -0.0427 (180deg=-1.13) USER MOD Single : A 17 ASN : amide:sc= -0.0795 K(o=-0.079,f=-2.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 27 THR OG1 : rot -18:sc= 0.801 USER MOD Single : A 30 CYS SG : rot 143:sc= 0.205! USER MOD Single : A 33 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 34 LYS NZ :NH3+ -126:sc= -0.0868 (180deg=-0.58) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.0942 X(o=-0.094,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.7) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 77 TYR OH : rot -30:sc= -0.376 USER MOD Single : A 78 SER OG : rot 180:sc= -0.992 USER MOD Single : A 79 CYS SG : rot 118:sc= 0.168 USER MOD Single : A 83 GLN : amide:sc= -0.863 K(o=-0.86,f=-2.3!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc=-0.00591 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.574 42.905 9.422 1.00 0.00 N ATOM 2 CA GLY A 1 4.067 41.731 10.119 1.00 0.00 C ATOM 3 C GLY A 1 4.607 40.678 9.172 1.00 0.00 C ATOM 4 O GLY A 1 4.816 40.946 7.989 1.00 0.00 O ATOM 0 H1 GLY A 1 3.957 43.761 9.871 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.876 42.871 8.427 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.535 42.925 9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.853 42.028 10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.262 41.301 10.714 1.00 0.00 H new ATOM 8 N SER A 2 4.835 39.477 9.693 1.00 0.00 N ATOM 9 CA SER A 2 5.360 38.381 8.887 1.00 0.00 C ATOM 10 C SER A 2 4.227 37.510 8.351 1.00 0.00 C ATOM 11 O SER A 2 3.878 36.491 8.947 1.00 0.00 O ATOM 12 CB SER A 2 6.326 37.529 9.713 1.00 0.00 C ATOM 13 OG SER A 2 5.666 36.936 10.818 1.00 0.00 O ATOM 0 H SER A 2 4.664 39.238 10.670 1.00 0.00 H new ATOM 0 HA SER A 2 5.897 38.810 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.759 36.751 9.084 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.150 38.148 10.067 1.00 0.00 H new ATOM 0 HG SER A 2 4.809 36.562 10.525 1.00 0.00 H new ATOM 19 N SER A 3 3.657 37.921 7.223 1.00 0.00 N ATOM 20 CA SER A 3 2.561 37.181 6.607 1.00 0.00 C ATOM 21 C SER A 3 2.798 35.677 6.705 1.00 0.00 C ATOM 22 O SER A 3 3.930 35.208 6.601 1.00 0.00 O ATOM 23 CB SER A 3 2.402 37.590 5.142 1.00 0.00 C ATOM 24 OG SER A 3 1.921 38.919 5.032 1.00 0.00 O ATOM 0 H SER A 3 3.935 38.762 6.717 1.00 0.00 H new ATOM 0 HA SER A 3 1.644 37.422 7.145 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.361 37.504 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.713 36.908 4.644 1.00 0.00 H new ATOM 0 HG SER A 3 1.830 39.157 4.086 1.00 0.00 H new ATOM 30 N GLY A 4 1.719 34.926 6.906 1.00 0.00 N ATOM 31 CA GLY A 4 1.830 33.483 7.015 1.00 0.00 C ATOM 32 C GLY A 4 1.844 32.800 5.662 1.00 0.00 C ATOM 33 O GLY A 4 0.988 33.062 4.817 1.00 0.00 O ATOM 0 H GLY A 4 0.771 35.291 6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.743 33.231 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.996 33.101 7.603 1.00 0.00 H new ATOM 37 N SER A 5 2.819 31.921 5.455 1.00 0.00 N ATOM 38 CA SER A 5 2.945 31.201 4.193 1.00 0.00 C ATOM 39 C SER A 5 2.041 29.972 4.177 1.00 0.00 C ATOM 40 O SER A 5 2.466 28.871 4.527 1.00 0.00 O ATOM 41 CB SER A 5 4.398 30.783 3.962 1.00 0.00 C ATOM 42 OG SER A 5 5.164 31.862 3.454 1.00 0.00 O ATOM 0 H SER A 5 3.534 31.690 6.145 1.00 0.00 H new ATOM 0 HA SER A 5 2.635 31.869 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.833 30.433 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.433 29.947 3.263 1.00 0.00 H new ATOM 0 HG SER A 5 6.089 31.570 3.316 1.00 0.00 H new ATOM 48 N SER A 6 0.792 30.168 3.767 1.00 0.00 N ATOM 49 CA SER A 6 -0.173 29.077 3.708 1.00 0.00 C ATOM 50 C SER A 6 -0.263 28.507 2.296 1.00 0.00 C ATOM 51 O SER A 6 -0.261 29.248 1.314 1.00 0.00 O ATOM 52 CB SER A 6 -1.551 29.563 4.163 1.00 0.00 C ATOM 53 OG SER A 6 -2.328 28.491 4.670 1.00 0.00 O ATOM 0 H SER A 6 0.425 31.072 3.471 1.00 0.00 H new ATOM 0 HA SER A 6 0.166 28.287 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.435 30.327 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.071 30.029 3.326 1.00 0.00 H new ATOM 0 HG SER A 6 -3.203 28.828 4.956 1.00 0.00 H new ATOM 59 N GLY A 7 -0.342 27.183 2.203 1.00 0.00 N ATOM 60 CA GLY A 7 -0.431 26.534 0.908 1.00 0.00 C ATOM 61 C GLY A 7 -1.183 25.219 0.969 1.00 0.00 C ATOM 62 O GLY A 7 -1.498 24.709 2.044 1.00 0.00 O ATOM 0 H GLY A 7 -0.346 26.548 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.928 27.201 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.574 26.357 0.524 1.00 0.00 H new ATOM 66 N PRO A 8 -1.484 24.650 -0.208 1.00 0.00 N ATOM 67 CA PRO A 8 -2.208 23.380 -0.311 1.00 0.00 C ATOM 68 C PRO A 8 -1.370 22.195 0.159 1.00 0.00 C ATOM 69 O PRO A 8 -0.274 22.370 0.690 1.00 0.00 O ATOM 70 CB PRO A 8 -2.508 23.263 -1.807 1.00 0.00 C ATOM 71 CG PRO A 8 -1.447 24.072 -2.471 1.00 0.00 C ATOM 72 CD PRO A 8 -1.139 25.203 -1.529 1.00 0.00 C ATOM 0 HA PRO A 8 -3.098 23.366 0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.478 22.224 -2.137 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.502 23.644 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.559 23.470 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.789 24.449 -3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.090 25.495 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.729 26.090 -1.760 1.00 0.00 H new ATOM 80 N SER A 9 -1.894 20.990 -0.040 1.00 0.00 N ATOM 81 CA SER A 9 -1.196 19.776 0.366 1.00 0.00 C ATOM 82 C SER A 9 -0.561 19.086 -0.837 1.00 0.00 C ATOM 83 O SER A 9 -1.163 18.998 -1.907 1.00 0.00 O ATOM 84 CB SER A 9 -2.160 18.818 1.068 1.00 0.00 C ATOM 85 OG SER A 9 -3.257 18.495 0.230 1.00 0.00 O ATOM 0 H SER A 9 -2.800 20.828 -0.480 1.00 0.00 H new ATOM 0 HA SER A 9 -0.405 20.057 1.061 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.632 17.907 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.523 19.273 1.989 1.00 0.00 H new ATOM 0 HG SER A 9 -3.061 17.670 -0.261 1.00 0.00 H new ATOM 91 N LYS A 10 0.661 18.597 -0.654 1.00 0.00 N ATOM 92 CA LYS A 10 1.380 17.913 -1.722 1.00 0.00 C ATOM 93 C LYS A 10 2.164 16.724 -1.175 1.00 0.00 C ATOM 94 O LYS A 10 2.784 16.811 -0.115 1.00 0.00 O ATOM 95 CB LYS A 10 2.330 18.883 -2.428 1.00 0.00 C ATOM 96 CG LYS A 10 1.620 20.030 -3.126 1.00 0.00 C ATOM 97 CD LYS A 10 2.599 20.921 -3.872 1.00 0.00 C ATOM 98 CE LYS A 10 3.145 22.022 -2.976 1.00 0.00 C ATOM 99 NZ LYS A 10 4.315 21.560 -2.180 1.00 0.00 N ATOM 0 H LYS A 10 1.174 18.662 0.225 1.00 0.00 H new ATOM 0 HA LYS A 10 0.648 17.544 -2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.029 19.290 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.920 18.332 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.884 19.632 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.075 20.622 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.423 20.318 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.103 21.365 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.436 22.876 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.360 22.365 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.043 22.303 -2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.013 21.356 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.707 20.697 -2.608 1.00 0.00 H new ATOM 113 N PHE A 11 2.134 15.615 -1.906 1.00 0.00 N ATOM 114 CA PHE A 11 2.843 14.408 -1.494 1.00 0.00 C ATOM 115 C PHE A 11 4.353 14.609 -1.581 1.00 0.00 C ATOM 116 O PHE A 11 4.892 14.888 -2.652 1.00 0.00 O ATOM 117 CB PHE A 11 2.424 13.223 -2.366 1.00 0.00 C ATOM 118 CG PHE A 11 0.987 12.823 -2.183 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.574 12.185 -1.024 1.00 0.00 C ATOM 120 CD2 PHE A 11 0.051 13.084 -3.170 1.00 0.00 C ATOM 121 CE1 PHE A 11 -0.747 11.816 -0.853 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.271 12.718 -3.004 1.00 0.00 C ATOM 123 CZ PHE A 11 -1.670 12.082 -1.844 1.00 0.00 C ATOM 0 H PHE A 11 1.627 15.526 -2.786 1.00 0.00 H new ATOM 0 HA PHE A 11 2.581 14.198 -0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.592 13.475 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.062 12.370 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.292 11.974 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.358 13.579 -4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.057 11.320 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.992 12.929 -3.780 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.702 11.794 -1.713 1.00 0.00 H new ATOM 133 N ILE A 12 5.029 14.464 -0.446 1.00 0.00 N ATOM 134 CA ILE A 12 6.476 14.629 -0.393 1.00 0.00 C ATOM 135 C ILE A 12 7.191 13.348 -0.813 1.00 0.00 C ATOM 136 O ILE A 12 7.904 13.324 -1.814 1.00 0.00 O ATOM 137 CB ILE A 12 6.946 15.027 1.018 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.875 15.865 1.719 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.260 15.791 0.943 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.412 17.055 0.908 1.00 0.00 C ATOM 0 H ILE A 12 4.598 14.233 0.449 1.00 0.00 H new ATOM 0 HA ILE A 12 6.728 15.428 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 12 7.109 14.120 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.017 15.231 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.267 16.216 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.579 16.065 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.020 15.162 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.123 16.693 0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.653 17.603 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.259 17.711 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.989 16.710 -0.036 1.00 0.00 H new ATOM 152 N GLU A 13 6.991 12.285 -0.039 1.00 0.00 N ATOM 153 CA GLU A 13 7.616 11.001 -0.332 1.00 0.00 C ATOM 154 C GLU A 13 6.801 10.221 -1.359 1.00 0.00 C ATOM 155 O GLU A 13 7.355 9.514 -2.200 1.00 0.00 O ATOM 156 CB GLU A 13 7.765 10.177 0.949 1.00 0.00 C ATOM 157 CG GLU A 13 9.079 10.411 1.674 1.00 0.00 C ATOM 158 CD GLU A 13 10.284 10.228 0.772 1.00 0.00 C ATOM 159 OE1 GLU A 13 10.587 9.070 0.416 1.00 0.00 O ATOM 160 OE2 GLU A 13 10.923 11.242 0.422 1.00 0.00 O ATOM 0 H GLU A 13 6.402 12.288 0.794 1.00 0.00 H new ATOM 0 HA GLU A 13 8.605 11.194 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.941 10.415 1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.679 9.119 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.088 11.420 2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.152 9.723 2.516 1.00 0.00 H new ATOM 167 N GLY A 14 5.480 10.355 -1.284 1.00 0.00 N ATOM 168 CA GLY A 14 4.610 9.657 -2.212 1.00 0.00 C ATOM 169 C GLY A 14 4.571 8.163 -1.959 1.00 0.00 C ATOM 170 O GLY A 14 5.521 7.592 -1.421 1.00 0.00 O ATOM 0 H GLY A 14 4.997 10.934 -0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.601 10.062 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.949 9.841 -3.231 1.00 0.00 H new ATOM 174 N LEU A 15 3.470 7.527 -2.345 1.00 0.00 N ATOM 175 CA LEU A 15 3.311 6.090 -2.156 1.00 0.00 C ATOM 176 C LEU A 15 4.355 5.316 -2.953 1.00 0.00 C ATOM 177 O LEU A 15 4.512 5.525 -4.156 1.00 0.00 O ATOM 178 CB LEU A 15 1.906 5.653 -2.575 1.00 0.00 C ATOM 179 CG LEU A 15 0.764 6.096 -1.659 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.581 5.854 -2.327 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.837 5.369 -0.325 1.00 0.00 C ATOM 0 H LEU A 15 2.675 7.984 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 15 3.453 5.870 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.711 6.037 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.890 4.565 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 15 0.867 7.165 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.381 6.175 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.633 6.421 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.694 4.792 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.017 5.697 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.760 4.295 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.787 5.594 0.160 1.00 0.00 H new ATOM 193 N ARG A 16 5.066 4.420 -2.276 1.00 0.00 N ATOM 194 CA ARG A 16 6.094 3.614 -2.922 1.00 0.00 C ATOM 195 C ARG A 16 5.582 2.205 -3.208 1.00 0.00 C ATOM 196 O ARG A 16 4.716 1.694 -2.499 1.00 0.00 O ATOM 197 CB ARG A 16 7.345 3.544 -2.043 1.00 0.00 C ATOM 198 CG ARG A 16 8.065 4.876 -1.902 1.00 0.00 C ATOM 199 CD ARG A 16 9.347 4.733 -1.097 1.00 0.00 C ATOM 200 NE ARG A 16 10.355 5.711 -1.496 1.00 0.00 N ATOM 201 CZ ARG A 16 10.921 5.736 -2.697 1.00 0.00 C ATOM 202 NH1 ARG A 16 10.580 4.840 -3.613 1.00 0.00 N ATOM 203 NH2 ARG A 16 11.831 6.658 -2.984 1.00 0.00 N ATOM 0 H ARG A 16 4.949 4.234 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 16 6.349 4.089 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.064 3.186 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.034 2.811 -2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.297 5.272 -2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.407 5.597 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.125 4.853 -0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.746 3.727 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 16 10.640 6.414 -0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.881 4.129 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.016 4.862 -4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.096 7.349 -2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.265 6.676 -3.907 1.00 0.00 H new ATOM 217 N ASN A 17 6.123 1.585 -4.251 1.00 0.00 N ATOM 218 CA ASN A 17 5.720 0.236 -4.631 1.00 0.00 C ATOM 219 C ASN A 17 5.714 -0.692 -3.420 1.00 0.00 C ATOM 220 O ASN A 17 6.740 -0.885 -2.770 1.00 0.00 O ATOM 221 CB ASN A 17 6.659 -0.316 -5.706 1.00 0.00 C ATOM 222 CG ASN A 17 6.502 0.400 -7.034 1.00 0.00 C ATOM 223 OD1 ASN A 17 6.095 1.561 -7.082 1.00 0.00 O ATOM 224 ND2 ASN A 17 6.824 -0.292 -8.120 1.00 0.00 N ATOM 0 H ASN A 17 6.841 1.995 -4.848 1.00 0.00 H new ATOM 0 HA ASN A 17 4.708 0.286 -5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.690 -0.223 -5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.463 -1.379 -5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.738 0.136 -9.042 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.157 -1.252 -8.033 1.00 0.00 H new ATOM 231 N GLU A 18 4.550 -1.264 -3.125 1.00 0.00 N ATOM 232 CA GLU A 18 4.411 -2.171 -1.992 1.00 0.00 C ATOM 233 C GLU A 18 4.077 -3.583 -2.464 1.00 0.00 C ATOM 234 O GLU A 18 3.233 -3.772 -3.339 1.00 0.00 O ATOM 235 CB GLU A 18 3.324 -1.670 -1.039 1.00 0.00 C ATOM 236 CG GLU A 18 3.083 -2.589 0.146 1.00 0.00 C ATOM 237 CD GLU A 18 4.229 -2.576 1.138 1.00 0.00 C ATOM 238 OE1 GLU A 18 4.348 -1.591 1.896 1.00 0.00 O ATOM 239 OE2 GLU A 18 5.008 -3.553 1.156 1.00 0.00 O ATOM 0 H GLU A 18 3.691 -1.115 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 18 5.363 -2.199 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.602 -0.682 -0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.393 -1.553 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.166 -2.289 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.930 -3.607 -0.214 1.00 0.00 H new ATOM 246 N GLU A 19 4.747 -4.571 -1.878 1.00 0.00 N ATOM 247 CA GLU A 19 4.522 -5.965 -2.240 1.00 0.00 C ATOM 248 C GLU A 19 4.359 -6.831 -0.994 1.00 0.00 C ATOM 249 O GLU A 19 5.287 -6.974 -0.199 1.00 0.00 O ATOM 250 CB GLU A 19 5.683 -6.488 -3.089 1.00 0.00 C ATOM 251 CG GLU A 19 5.721 -8.003 -3.200 1.00 0.00 C ATOM 252 CD GLU A 19 6.977 -8.506 -3.886 1.00 0.00 C ATOM 253 OE1 GLU A 19 7.358 -7.927 -4.924 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.578 -9.479 -3.384 1.00 0.00 O ATOM 0 H GLU A 19 5.449 -4.431 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 19 3.602 -6.019 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.612 -6.060 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.622 -6.140 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.657 -8.438 -2.203 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.847 -8.345 -3.754 1.00 0.00 H new ATOM 261 N ALA A 20 3.172 -7.405 -0.831 1.00 0.00 N ATOM 262 CA ALA A 20 2.886 -8.258 0.316 1.00 0.00 C ATOM 263 C ALA A 20 2.457 -9.652 -0.129 1.00 0.00 C ATOM 264 O ALA A 20 2.226 -9.893 -1.314 1.00 0.00 O ATOM 265 CB ALA A 20 1.812 -7.626 1.189 1.00 0.00 C ATOM 0 H ALA A 20 2.392 -7.295 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 20 3.801 -8.358 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.608 -8.274 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.157 -6.655 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.900 -7.496 0.607 1.00 0.00 H new ATOM 271 N THR A 21 2.352 -10.568 0.829 1.00 0.00 N ATOM 272 CA THR A 21 1.953 -11.938 0.536 1.00 0.00 C ATOM 273 C THR A 21 0.477 -12.159 0.847 1.00 0.00 C ATOM 274 O THR A 21 0.012 -11.848 1.943 1.00 0.00 O ATOM 275 CB THR A 21 2.792 -12.952 1.336 1.00 0.00 C ATOM 276 OG1 THR A 21 4.148 -12.936 0.876 1.00 0.00 O ATOM 277 CG2 THR A 21 2.221 -14.355 1.200 1.00 0.00 C ATOM 0 H THR A 21 2.538 -10.385 1.815 1.00 0.00 H new ATOM 0 HA THR A 21 2.125 -12.096 -0.529 1.00 0.00 H new ATOM 0 HB THR A 21 2.762 -12.666 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.676 -13.582 1.391 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.831 -15.053 1.774 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.199 -14.370 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.224 -14.649 0.150 1.00 0.00 H new ATOM 285 N GLU A 22 -0.254 -12.699 -0.123 1.00 0.00 N ATOM 286 CA GLU A 22 -1.678 -12.961 0.049 1.00 0.00 C ATOM 287 C GLU A 22 -1.962 -13.529 1.436 1.00 0.00 C ATOM 288 O GLU A 22 -1.247 -14.407 1.918 1.00 0.00 O ATOM 289 CB GLU A 22 -2.173 -13.933 -1.024 1.00 0.00 C ATOM 290 CG GLU A 22 -3.680 -14.131 -1.016 1.00 0.00 C ATOM 291 CD GLU A 22 -4.090 -15.506 -1.507 1.00 0.00 C ATOM 292 OE1 GLU A 22 -4.214 -15.685 -2.736 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.286 -16.403 -0.660 1.00 0.00 O ATOM 0 H GLU A 22 0.116 -12.963 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.211 -12.016 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.868 -13.566 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.687 -14.898 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.057 -13.983 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.146 -13.371 -1.644 1.00 0.00 H new ATOM 300 N GLY A 23 -3.012 -13.020 2.074 1.00 0.00 N ATOM 301 CA GLY A 23 -3.373 -13.488 3.400 1.00 0.00 C ATOM 302 C GLY A 23 -2.915 -12.542 4.492 1.00 0.00 C ATOM 303 O GLY A 23 -3.598 -12.373 5.503 1.00 0.00 O ATOM 0 H GLY A 23 -3.619 -12.292 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.455 -13.608 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.934 -14.471 3.567 1.00 0.00 H new ATOM 307 N ASP A 24 -1.755 -11.926 4.291 1.00 0.00 N ATOM 308 CA ASP A 24 -1.205 -10.993 5.268 1.00 0.00 C ATOM 309 C ASP A 24 -1.936 -9.655 5.212 1.00 0.00 C ATOM 310 O ASP A 24 -2.862 -9.473 4.421 1.00 0.00 O ATOM 311 CB ASP A 24 0.289 -10.783 5.020 1.00 0.00 C ATOM 312 CG ASP A 24 1.123 -11.964 5.476 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.949 -13.066 4.915 1.00 0.00 O ATOM 314 OD2 ASP A 24 1.951 -11.786 6.393 1.00 0.00 O ATOM 0 H ASP A 24 -1.177 -12.056 3.460 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.343 -11.421 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.457 -10.612 3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.619 -9.885 5.543 1.00 0.00 H new ATOM 319 N THR A 25 -1.514 -8.721 6.059 1.00 0.00 N ATOM 320 CA THR A 25 -2.129 -7.400 6.108 1.00 0.00 C ATOM 321 C THR A 25 -1.163 -6.325 5.624 1.00 0.00 C ATOM 322 O THR A 25 -0.243 -5.936 6.342 1.00 0.00 O ATOM 323 CB THR A 25 -2.596 -7.051 7.533 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.566 -8.005 7.979 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.194 -5.653 7.579 1.00 0.00 C ATOM 0 H THR A 25 -0.749 -8.855 6.720 1.00 0.00 H new ATOM 0 HA THR A 25 -2.995 -7.430 5.447 1.00 0.00 H new ATOM 0 HB THR A 25 -1.729 -7.080 8.193 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.856 -7.776 8.887 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.517 -5.429 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.444 -4.926 7.268 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.050 -5.601 6.907 1.00 0.00 H new ATOM 333 N ALA A 26 -1.379 -5.849 4.402 1.00 0.00 N ATOM 334 CA ALA A 26 -0.528 -4.816 3.823 1.00 0.00 C ATOM 335 C ALA A 26 -0.614 -3.522 4.624 1.00 0.00 C ATOM 336 O ALA A 26 -1.500 -3.356 5.463 1.00 0.00 O ATOM 337 CB ALA A 26 -0.912 -4.568 2.372 1.00 0.00 C ATOM 0 H ALA A 26 -2.136 -6.162 3.794 1.00 0.00 H new ATOM 0 HA ALA A 26 0.503 -5.167 3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.269 -3.795 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.792 -5.489 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.951 -4.243 2.321 1.00 0.00 H new ATOM 343 N THR A 27 0.312 -2.605 4.360 1.00 0.00 N ATOM 344 CA THR A 27 0.342 -1.326 5.058 1.00 0.00 C ATOM 345 C THR A 27 1.123 -0.285 4.264 1.00 0.00 C ATOM 346 O THR A 27 2.348 -0.357 4.163 1.00 0.00 O ATOM 347 CB THR A 27 0.969 -1.464 6.458 1.00 0.00 C ATOM 348 OG1 THR A 27 0.241 -2.427 7.228 1.00 0.00 O ATOM 349 CG2 THR A 27 0.973 -0.126 7.183 1.00 0.00 C ATOM 0 H THR A 27 1.051 -2.725 3.667 1.00 0.00 H new ATOM 0 HA THR A 27 -0.692 -0.999 5.162 1.00 0.00 H new ATOM 0 HB THR A 27 2.000 -1.798 6.339 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.640 -2.571 6.823 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.420 -0.248 8.169 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.552 0.597 6.609 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.051 0.232 7.291 1.00 0.00 H new ATOM 357 N LEU A 28 0.407 0.683 3.701 1.00 0.00 N ATOM 358 CA LEU A 28 1.034 1.740 2.916 1.00 0.00 C ATOM 359 C LEU A 28 0.962 3.077 3.647 1.00 0.00 C ATOM 360 O LEU A 28 0.041 3.320 4.428 1.00 0.00 O ATOM 361 CB LEU A 28 0.358 1.856 1.549 1.00 0.00 C ATOM 362 CG LEU A 28 0.689 0.755 0.541 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.262 -0.421 0.704 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.631 1.297 -0.880 1.00 0.00 C ATOM 0 H LEU A 28 -0.608 0.757 3.774 1.00 0.00 H new ATOM 0 HA LEU A 28 2.083 1.480 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.721 1.870 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.631 2.816 1.111 1.00 0.00 H new ATOM 0 HG LEU A 28 1.703 0.406 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.011 -1.195 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.171 -0.826 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.286 -0.086 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.869 0.499 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.371 1.674 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.353 2.106 -0.991 1.00 0.00 H new ATOM 376 N TRP A 29 1.936 3.941 3.387 1.00 0.00 N ATOM 377 CA TRP A 29 1.981 5.255 4.019 1.00 0.00 C ATOM 378 C TRP A 29 2.636 6.279 3.099 1.00 0.00 C ATOM 379 O TRP A 29 3.529 5.945 2.319 1.00 0.00 O ATOM 380 CB TRP A 29 2.743 5.180 5.344 1.00 0.00 C ATOM 381 CG TRP A 29 4.231 5.146 5.173 1.00 0.00 C ATOM 382 CD1 TRP A 29 5.034 4.041 5.199 1.00 0.00 C ATOM 383 CD2 TRP A 29 5.095 6.266 4.950 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.344 4.407 5.007 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.408 5.766 4.850 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.886 7.642 4.823 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.505 6.595 4.631 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.976 8.463 4.606 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.272 7.938 4.511 1.00 0.00 C ATOM 0 H TRP A 29 2.705 3.756 2.743 1.00 0.00 H new ATOM 0 HA TRP A 29 0.957 5.573 4.214 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.475 6.040 5.958 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.427 4.289 5.887 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.689 3.028 5.349 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.140 3.770 4.985 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.891 8.056 4.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.504 6.192 4.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.827 9.528 4.508 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.103 8.606 4.340 1.00 0.00 H new ATOM 400 N CYS A 30 2.188 7.526 3.195 1.00 0.00 N ATOM 401 CA CYS A 30 2.731 8.599 2.370 1.00 0.00 C ATOM 402 C CYS A 30 2.785 9.909 3.149 1.00 0.00 C ATOM 403 O CYS A 30 1.967 10.148 4.036 1.00 0.00 O ATOM 404 CB CYS A 30 1.887 8.776 1.107 1.00 0.00 C ATOM 405 SG CYS A 30 0.221 9.406 1.415 1.00 0.00 S ATOM 0 H CYS A 30 1.450 7.819 3.836 1.00 0.00 H new ATOM 0 HA CYS A 30 3.747 8.326 2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.403 9.458 0.431 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.812 7.816 0.595 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.114 10.230 0.467 1.00 0.00 H new ATOM 411 N GLU A 31 3.754 10.754 2.810 1.00 0.00 N ATOM 412 CA GLU A 31 3.915 12.039 3.480 1.00 0.00 C ATOM 413 C GLU A 31 3.089 13.120 2.789 1.00 0.00 C ATOM 414 O GLU A 31 2.716 12.982 1.623 1.00 0.00 O ATOM 415 CB GLU A 31 5.390 12.446 3.504 1.00 0.00 C ATOM 416 CG GLU A 31 5.667 13.682 4.342 1.00 0.00 C ATOM 417 CD GLU A 31 7.078 13.707 4.897 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.983 14.200 4.193 1.00 0.00 O ATOM 419 OE2 GLU A 31 7.277 13.232 6.035 1.00 0.00 O ATOM 0 H GLU A 31 4.439 10.572 2.076 1.00 0.00 H new ATOM 0 HA GLU A 31 3.558 11.933 4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.981 11.616 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.725 12.627 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.504 14.572 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.956 13.724 5.167 1.00 0.00 H new ATOM 426 N LEU A 32 2.807 14.196 3.516 1.00 0.00 N ATOM 427 CA LEU A 32 2.024 15.301 2.974 1.00 0.00 C ATOM 428 C LEU A 32 2.647 16.643 3.347 1.00 0.00 C ATOM 429 O LEU A 32 3.247 16.785 4.412 1.00 0.00 O ATOM 430 CB LEU A 32 0.585 15.233 3.487 1.00 0.00 C ATOM 431 CG LEU A 32 -0.465 15.953 2.640 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.343 15.546 1.180 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.864 15.661 3.162 1.00 0.00 C ATOM 0 H LEU A 32 3.109 14.327 4.482 1.00 0.00 H new ATOM 0 HA LEU A 32 2.019 15.212 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.299 14.184 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.559 15.651 4.494 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.289 17.026 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.098 16.068 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.649 15.807 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.492 14.470 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.598 16.182 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.051 14.588 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.946 16.004 4.193 1.00 0.00 H new ATOM 445 N SER A 33 2.497 17.625 2.464 1.00 0.00 N ATOM 446 CA SER A 33 3.045 18.955 2.700 1.00 0.00 C ATOM 447 C SER A 33 2.162 19.745 3.661 1.00 0.00 C ATOM 448 O SER A 33 2.640 20.611 4.395 1.00 0.00 O ATOM 449 CB SER A 33 3.186 19.714 1.379 1.00 0.00 C ATOM 450 OG SER A 33 1.984 20.387 1.047 1.00 0.00 O ATOM 0 H SER A 33 2.000 17.524 1.579 1.00 0.00 H new ATOM 0 HA SER A 33 4.030 18.839 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.001 20.434 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.449 19.018 0.582 1.00 0.00 H new ATOM 0 HG SER A 33 2.100 20.866 0.200 1.00 0.00 H new ATOM 456 N LYS A 34 0.868 19.440 3.652 1.00 0.00 N ATOM 457 CA LYS A 34 -0.085 20.118 4.523 1.00 0.00 C ATOM 458 C LYS A 34 -1.019 19.115 5.192 1.00 0.00 C ATOM 459 O LYS A 34 -1.436 18.135 4.576 1.00 0.00 O ATOM 460 CB LYS A 34 -0.900 21.137 3.724 1.00 0.00 C ATOM 461 CG LYS A 34 -2.138 21.631 4.453 1.00 0.00 C ATOM 462 CD LYS A 34 -1.780 22.623 5.548 1.00 0.00 C ATOM 463 CE LYS A 34 -2.986 23.452 5.964 1.00 0.00 C ATOM 464 NZ LYS A 34 -3.476 24.313 4.852 1.00 0.00 N ATOM 0 H LYS A 34 0.455 18.727 3.050 1.00 0.00 H new ATOM 0 HA LYS A 34 0.476 20.639 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.265 21.990 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.201 20.688 2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.817 22.102 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.668 20.784 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.390 22.087 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.987 23.283 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.787 22.789 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.721 24.076 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.524 25.301 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.824 24.242 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.423 23.998 4.560 1.00 0.00 H new ATOM 478 N ALA A 35 -1.345 19.369 6.455 1.00 0.00 N ATOM 479 CA ALA A 35 -2.233 18.490 7.206 1.00 0.00 C ATOM 480 C ALA A 35 -3.668 18.599 6.703 1.00 0.00 C ATOM 481 O ALA A 35 -4.348 19.595 6.949 1.00 0.00 O ATOM 482 CB ALA A 35 -2.166 18.816 8.691 1.00 0.00 C ATOM 0 H ALA A 35 -1.008 20.176 6.980 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.900 17.463 7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.834 18.152 9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.145 18.680 9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.471 19.850 8.851 1.00 0.00 H new ATOM 488 N ALA A 36 -4.122 17.570 5.997 1.00 0.00 N ATOM 489 CA ALA A 36 -5.477 17.550 5.460 1.00 0.00 C ATOM 490 C ALA A 36 -6.006 16.124 5.354 1.00 0.00 C ATOM 491 O ALA A 36 -5.248 15.165 5.203 1.00 0.00 O ATOM 492 CB ALA A 36 -5.516 18.232 4.100 1.00 0.00 C ATOM 0 H ALA A 36 -3.571 16.738 5.783 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.121 18.098 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.534 18.210 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.189 19.267 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.853 17.709 3.411 1.00 0.00 H new ATOM 498 N PRO A 37 -7.336 15.977 5.435 1.00 0.00 N ATOM 499 CA PRO A 37 -7.995 14.670 5.351 1.00 0.00 C ATOM 500 C PRO A 37 -7.916 14.070 3.952 1.00 0.00 C ATOM 501 O PRO A 37 -8.720 14.397 3.079 1.00 0.00 O ATOM 502 CB PRO A 37 -9.448 14.981 5.718 1.00 0.00 C ATOM 503 CG PRO A 37 -9.629 16.418 5.365 1.00 0.00 C ATOM 504 CD PRO A 37 -8.300 17.076 5.615 1.00 0.00 C ATOM 0 HA PRO A 37 -7.525 13.934 6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.141 14.347 5.164 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.635 14.807 6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.930 16.529 4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.411 16.874 5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.117 17.890 4.914 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.244 17.500 6.618 1.00 0.00 H new ATOM 512 N VAL A 38 -6.942 13.190 3.744 1.00 0.00 N ATOM 513 CA VAL A 38 -6.759 12.542 2.451 1.00 0.00 C ATOM 514 C VAL A 38 -7.806 11.457 2.226 1.00 0.00 C ATOM 515 O VAL A 38 -8.596 11.150 3.118 1.00 0.00 O ATOM 516 CB VAL A 38 -5.356 11.920 2.328 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.284 12.952 2.644 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.229 10.710 3.242 1.00 0.00 C ATOM 0 H VAL A 38 -6.267 12.909 4.455 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.873 13.315 1.691 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.214 11.587 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.299 12.494 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.364 13.785 1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.420 13.318 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.231 10.282 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.392 11.016 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.973 9.964 2.963 1.00 0.00 H new ATOM 528 N GLU A 39 -7.806 10.880 1.029 1.00 0.00 N ATOM 529 CA GLU A 39 -8.757 9.829 0.687 1.00 0.00 C ATOM 530 C GLU A 39 -8.090 8.746 -0.156 1.00 0.00 C ATOM 531 O GLU A 39 -7.386 9.041 -1.121 1.00 0.00 O ATOM 532 CB GLU A 39 -9.951 10.416 -0.068 1.00 0.00 C ATOM 533 CG GLU A 39 -11.001 9.384 -0.442 1.00 0.00 C ATOM 534 CD GLU A 39 -12.335 10.012 -0.797 1.00 0.00 C ATOM 535 OE1 GLU A 39 -12.464 10.535 -1.923 1.00 0.00 O ATOM 536 OE2 GLU A 39 -13.250 9.979 0.052 1.00 0.00 O ATOM 0 H GLU A 39 -7.158 11.123 0.280 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.110 9.378 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.415 11.188 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.593 10.903 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.643 8.797 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.139 8.693 0.390 1.00 0.00 H new ATOM 543 N TRP A 40 -8.318 7.491 0.216 1.00 0.00 N ATOM 544 CA TRP A 40 -7.740 6.363 -0.506 1.00 0.00 C ATOM 545 C TRP A 40 -8.737 5.788 -1.506 1.00 0.00 C ATOM 546 O TRP A 40 -9.938 5.743 -1.243 1.00 0.00 O ATOM 547 CB TRP A 40 -7.298 5.276 0.476 1.00 0.00 C ATOM 548 CG TRP A 40 -6.215 5.723 1.410 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.354 6.542 2.494 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.827 5.378 1.340 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.136 6.726 3.103 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.184 6.022 2.415 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.066 4.586 0.477 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.816 5.898 2.645 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.709 4.464 0.706 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.095 5.116 1.784 1.00 0.00 C ATOM 0 H TRP A 40 -8.899 7.229 1.013 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.870 6.722 -1.056 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.160 4.951 1.059 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.949 4.410 -0.086 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.284 6.980 2.824 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.968 7.295 3.933 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.530 4.078 -0.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.341 6.401 3.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.111 3.856 0.043 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.032 4.999 1.938 1.00 0.00 H new ATOM 567 N ARG A 41 -8.230 5.349 -2.654 1.00 0.00 N ATOM 568 CA ARG A 41 -9.077 4.778 -3.694 1.00 0.00 C ATOM 569 C ARG A 41 -8.521 3.440 -4.173 1.00 0.00 C ATOM 570 O ARG A 41 -7.323 3.306 -4.422 1.00 0.00 O ATOM 571 CB ARG A 41 -9.196 5.745 -4.873 1.00 0.00 C ATOM 572 CG ARG A 41 -10.277 6.797 -4.691 1.00 0.00 C ATOM 573 CD ARG A 41 -10.162 7.901 -5.731 1.00 0.00 C ATOM 574 NE ARG A 41 -10.860 7.562 -6.968 1.00 0.00 N ATOM 575 CZ ARG A 41 -12.182 7.571 -7.092 1.00 0.00 C ATOM 576 NH1 ARG A 41 -12.946 7.901 -6.059 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.744 7.250 -8.251 1.00 0.00 N ATOM 0 H ARG A 41 -7.237 5.378 -2.887 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.067 4.610 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.238 6.243 -5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.404 5.176 -5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.258 6.328 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.203 7.227 -3.692 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.572 8.826 -5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.110 8.087 -5.948 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.301 7.304 -7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.518 8.149 -5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.961 7.907 -6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.160 6.996 -9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.760 7.257 -8.345 1.00 0.00 H new ATOM 591 N LYS A 42 -9.400 2.452 -4.300 1.00 0.00 N ATOM 592 CA LYS A 42 -9.000 1.124 -4.750 1.00 0.00 C ATOM 593 C LYS A 42 -9.708 0.753 -6.049 1.00 0.00 C ATOM 594 O LYS A 42 -10.724 0.059 -6.037 1.00 0.00 O ATOM 595 CB LYS A 42 -9.310 0.082 -3.672 1.00 0.00 C ATOM 596 CG LYS A 42 -8.979 -1.340 -4.089 1.00 0.00 C ATOM 597 CD LYS A 42 -9.711 -2.357 -3.229 1.00 0.00 C ATOM 598 CE LYS A 42 -9.954 -3.655 -3.984 1.00 0.00 C ATOM 599 NZ LYS A 42 -11.127 -4.398 -3.447 1.00 0.00 N ATOM 0 H LYS A 42 -10.395 2.546 -4.097 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.926 1.139 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.750 0.327 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.368 0.140 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.248 -1.486 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.904 -1.502 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.129 -2.561 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.664 -1.941 -2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.115 -3.436 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.066 -4.284 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.259 -5.276 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.963 -4.629 -2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.980 -3.808 -3.531 1.00 0.00 H new ATOM 613 N GLY A 43 -9.164 1.219 -7.169 1.00 0.00 N ATOM 614 CA GLY A 43 -9.757 0.925 -8.460 1.00 0.00 C ATOM 615 C GLY A 43 -11.136 1.535 -8.618 1.00 0.00 C ATOM 616 O GLY A 43 -12.122 0.999 -8.110 1.00 0.00 O ATOM 0 H GLY A 43 -8.323 1.795 -7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.105 1.299 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.824 -0.155 -8.588 1.00 0.00 H new ATOM 620 N HIS A 44 -11.207 2.660 -9.323 1.00 0.00 N ATOM 621 CA HIS A 44 -12.475 3.344 -9.545 1.00 0.00 C ATOM 622 C HIS A 44 -13.384 3.213 -8.326 1.00 0.00 C ATOM 623 O HIS A 44 -14.606 3.145 -8.457 1.00 0.00 O ATOM 624 CB HIS A 44 -13.175 2.778 -10.781 1.00 0.00 C ATOM 625 CG HIS A 44 -12.530 3.181 -12.071 1.00 0.00 C ATOM 626 ND1 HIS A 44 -13.211 3.232 -13.269 1.00 0.00 N ATOM 627 CD2 HIS A 44 -11.259 3.555 -12.346 1.00 0.00 C ATOM 628 CE1 HIS A 44 -12.386 3.618 -14.226 1.00 0.00 C ATOM 629 NE2 HIS A 44 -11.195 3.821 -13.692 1.00 0.00 N ATOM 0 H HIS A 44 -10.401 3.117 -9.750 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.265 4.401 -9.708 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.188 1.690 -10.715 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.213 3.109 -10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.446 3.630 -11.639 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.642 3.746 -15.267 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.363 4.126 -14.197 1.00 0.00 H new ATOM 638 N GLU A 45 -12.779 3.176 -7.143 1.00 0.00 N ATOM 639 CA GLU A 45 -13.534 3.051 -5.902 1.00 0.00 C ATOM 640 C GLU A 45 -12.813 3.749 -4.753 1.00 0.00 C ATOM 641 O GLU A 45 -11.613 4.014 -4.827 1.00 0.00 O ATOM 642 CB GLU A 45 -13.754 1.576 -5.560 1.00 0.00 C ATOM 643 CG GLU A 45 -14.998 1.324 -4.725 1.00 0.00 C ATOM 644 CD GLU A 45 -14.726 1.400 -3.235 1.00 0.00 C ATOM 645 OE1 GLU A 45 -13.655 0.924 -2.803 1.00 0.00 O ATOM 646 OE2 GLU A 45 -15.583 1.935 -2.501 1.00 0.00 O ATOM 0 H GLU A 45 -11.768 3.231 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.502 3.532 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.826 1.004 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.883 1.203 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.762 2.055 -4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.401 0.340 -4.967 1.00 0.00 H new ATOM 653 N THR A 46 -13.555 4.046 -3.690 1.00 0.00 N ATOM 654 CA THR A 46 -12.988 4.715 -2.526 1.00 0.00 C ATOM 655 C THR A 46 -13.035 3.814 -1.297 1.00 0.00 C ATOM 656 O THR A 46 -14.017 3.106 -1.071 1.00 0.00 O ATOM 657 CB THR A 46 -13.732 6.028 -2.215 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.725 6.879 -3.366 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.088 6.749 -1.041 1.00 0.00 C ATOM 0 H THR A 46 -14.550 3.834 -3.612 1.00 0.00 H new ATOM 0 HA THR A 46 -11.950 4.943 -2.767 1.00 0.00 H new ATOM 0 HB THR A 46 -14.761 5.784 -1.951 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.201 7.711 -3.161 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.630 7.673 -0.840 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.121 6.110 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.051 6.982 -1.282 1.00 0.00 H new ATOM 667 N LEU A 47 -11.969 3.846 -0.505 1.00 0.00 N ATOM 668 CA LEU A 47 -11.889 3.032 0.703 1.00 0.00 C ATOM 669 C LEU A 47 -12.509 3.759 1.891 1.00 0.00 C ATOM 670 O LEU A 47 -12.529 4.989 1.938 1.00 0.00 O ATOM 671 CB LEU A 47 -10.432 2.680 1.009 1.00 0.00 C ATOM 672 CG LEU A 47 -9.649 2.017 -0.125 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.168 1.949 0.217 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.197 0.626 -0.409 1.00 0.00 C ATOM 0 H LEU A 47 -11.148 4.427 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.449 2.113 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.911 3.593 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.413 2.016 1.873 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.766 2.622 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.627 1.474 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.783 2.957 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.031 1.367 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.628 0.169 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.111 0.011 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.245 0.700 -0.699 1.00 0.00 H new ATOM 686 N ARG A 48 -13.012 2.990 2.852 1.00 0.00 N ATOM 687 CA ARG A 48 -13.632 3.561 4.041 1.00 0.00 C ATOM 688 C ARG A 48 -13.217 2.793 5.292 1.00 0.00 C ATOM 689 O ARG A 48 -13.111 1.566 5.273 1.00 0.00 O ATOM 690 CB ARG A 48 -15.156 3.548 3.904 1.00 0.00 C ATOM 691 CG ARG A 48 -15.664 4.304 2.687 1.00 0.00 C ATOM 692 CD ARG A 48 -17.047 4.889 2.931 1.00 0.00 C ATOM 693 NE ARG A 48 -17.692 5.305 1.689 1.00 0.00 N ATOM 694 CZ ARG A 48 -19.001 5.502 1.571 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.798 5.321 2.615 1.00 0.00 N ATOM 696 NH2 ARG A 48 -19.514 5.880 0.408 1.00 0.00 N ATOM 0 H ARG A 48 -13.002 1.970 2.830 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.292 4.592 4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.499 2.515 3.849 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.597 3.982 4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.968 5.105 2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.698 3.633 1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.670 4.149 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.966 5.745 3.601 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.106 5.452 0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.407 5.030 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.802 5.473 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.904 6.020 -0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.519 6.031 0.319 1.00 0.00 H new ATOM 710 N ASP A 49 -12.983 3.522 6.378 1.00 0.00 N ATOM 711 CA ASP A 49 -12.580 2.910 7.638 1.00 0.00 C ATOM 712 C ASP A 49 -13.684 2.008 8.182 1.00 0.00 C ATOM 713 O ASP A 49 -14.802 2.458 8.427 1.00 0.00 O ATOM 714 CB ASP A 49 -12.234 3.989 8.666 1.00 0.00 C ATOM 715 CG ASP A 49 -13.359 4.986 8.860 1.00 0.00 C ATOM 716 OD1 ASP A 49 -13.543 5.851 7.978 1.00 0.00 O ATOM 717 OD2 ASP A 49 -14.054 4.903 9.894 1.00 0.00 O ATOM 0 H ASP A 49 -13.066 4.538 6.411 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.696 2.300 7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.003 3.516 9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.336 4.517 8.346 1.00 0.00 H new ATOM 722 N GLY A 50 -13.361 0.732 8.367 1.00 0.00 N ATOM 723 CA GLY A 50 -14.336 -0.214 8.879 1.00 0.00 C ATOM 724 C GLY A 50 -13.713 -1.252 9.791 1.00 0.00 C ATOM 725 O GLY A 50 -13.253 -0.930 10.886 1.00 0.00 O ATOM 0 H GLY A 50 -12.442 0.336 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.110 0.326 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.825 -0.715 8.044 1.00 0.00 H new ATOM 729 N ASP A 51 -13.700 -2.501 9.340 1.00 0.00 N ATOM 730 CA ASP A 51 -13.129 -3.591 10.123 1.00 0.00 C ATOM 731 C ASP A 51 -11.845 -4.107 9.482 1.00 0.00 C ATOM 732 O ASP A 51 -10.789 -4.127 10.113 1.00 0.00 O ATOM 733 CB ASP A 51 -14.140 -4.731 10.261 1.00 0.00 C ATOM 734 CG ASP A 51 -15.095 -4.521 11.419 1.00 0.00 C ATOM 735 OD1 ASP A 51 -16.004 -3.674 11.293 1.00 0.00 O ATOM 736 OD2 ASP A 51 -14.935 -5.205 12.452 1.00 0.00 O ATOM 0 H ASP A 51 -14.078 -2.784 8.436 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.888 -3.207 11.114 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.710 -4.821 9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.606 -5.671 10.400 1.00 0.00 H new ATOM 741 N ARG A 52 -11.945 -4.525 8.224 1.00 0.00 N ATOM 742 CA ARG A 52 -10.792 -5.044 7.498 1.00 0.00 C ATOM 743 C ARG A 52 -9.826 -3.919 7.136 1.00 0.00 C ATOM 744 O ARG A 52 -8.612 -4.055 7.292 1.00 0.00 O ATOM 745 CB ARG A 52 -11.245 -5.770 6.230 1.00 0.00 C ATOM 746 CG ARG A 52 -10.314 -6.894 5.806 1.00 0.00 C ATOM 747 CD ARG A 52 -10.716 -7.471 4.458 1.00 0.00 C ATOM 748 NE ARG A 52 -12.140 -7.793 4.403 1.00 0.00 N ATOM 749 CZ ARG A 52 -12.735 -8.313 3.336 1.00 0.00 C ATOM 750 NH1 ARG A 52 -12.033 -8.571 2.240 1.00 0.00 N ATOM 751 NH2 ARG A 52 -14.035 -8.578 3.363 1.00 0.00 N ATOM 0 H ARG A 52 -12.812 -4.514 7.687 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.274 -5.750 8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.243 -6.178 6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.324 -5.048 5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.291 -6.520 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.327 -7.682 6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.475 -6.756 3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.133 -8.371 4.260 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.708 -7.608 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.033 -8.370 2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.493 -8.971 1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.578 -8.382 4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.491 -8.977 2.543 1.00 0.00 H new ATOM 765 N HIS A 53 -10.374 -2.809 6.651 1.00 0.00 N ATOM 766 CA HIS A 53 -9.562 -1.661 6.266 1.00 0.00 C ATOM 767 C HIS A 53 -9.460 -0.659 7.412 1.00 0.00 C ATOM 768 O HIS A 53 -10.332 -0.603 8.280 1.00 0.00 O ATOM 769 CB HIS A 53 -10.153 -0.982 5.031 1.00 0.00 C ATOM 770 CG HIS A 53 -10.185 -1.864 3.821 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.002 -2.971 3.718 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.497 -1.797 2.657 1.00 0.00 C ATOM 773 CE1 HIS A 53 -10.813 -3.547 2.544 1.00 0.00 C ATOM 774 NE2 HIS A 53 -9.905 -2.854 1.881 1.00 0.00 N ATOM 0 H HIS A 53 -11.377 -2.681 6.516 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.560 -2.019 6.029 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.167 -0.653 5.258 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.571 -0.089 4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.764 -1.051 2.389 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.316 -4.434 2.187 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.562 -3.069 0.945 1.00 0.00 H new ATOM 783 N SER A 54 -8.391 0.131 7.409 1.00 0.00 N ATOM 784 CA SER A 54 -8.174 1.128 8.451 1.00 0.00 C ATOM 785 C SER A 54 -7.544 2.391 7.871 1.00 0.00 C ATOM 786 O SER A 54 -6.357 2.413 7.545 1.00 0.00 O ATOM 787 CB SER A 54 -7.279 0.558 9.553 1.00 0.00 C ATOM 788 OG SER A 54 -7.927 -0.499 10.240 1.00 0.00 O ATOM 0 H SER A 54 -7.662 0.100 6.697 1.00 0.00 H new ATOM 0 HA SER A 54 -9.142 1.389 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.347 0.196 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.017 1.347 10.258 1.00 0.00 H new ATOM 0 HG SER A 54 -7.334 -0.847 10.938 1.00 0.00 H new ATOM 794 N LEU A 55 -8.348 3.441 7.746 1.00 0.00 N ATOM 795 CA LEU A 55 -7.871 4.710 7.206 1.00 0.00 C ATOM 796 C LEU A 55 -7.664 5.732 8.319 1.00 0.00 C ATOM 797 O LEU A 55 -8.625 6.241 8.895 1.00 0.00 O ATOM 798 CB LEU A 55 -8.863 5.254 6.177 1.00 0.00 C ATOM 799 CG LEU A 55 -9.077 4.394 4.931 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.197 3.390 5.160 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.382 5.269 3.725 1.00 0.00 C ATOM 0 H LEU A 55 -9.333 3.439 8.011 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.912 4.532 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.826 5.392 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.523 6.240 5.860 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.158 3.843 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.334 2.787 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.938 2.741 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.122 3.921 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.531 4.640 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.286 5.848 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.548 5.947 3.547 1.00 0.00 H new ATOM 813 N ARG A 56 -6.402 6.029 8.615 1.00 0.00 N ATOM 814 CA ARG A 56 -6.069 6.992 9.658 1.00 0.00 C ATOM 815 C ARG A 56 -4.815 7.780 9.290 1.00 0.00 C ATOM 816 O ARG A 56 -3.880 7.236 8.703 1.00 0.00 O ATOM 817 CB ARG A 56 -5.860 6.276 10.994 1.00 0.00 C ATOM 818 CG ARG A 56 -4.925 5.081 10.906 1.00 0.00 C ATOM 819 CD ARG A 56 -4.781 4.386 12.250 1.00 0.00 C ATOM 820 NE ARG A 56 -4.170 5.255 13.253 1.00 0.00 N ATOM 821 CZ ARG A 56 -3.891 4.866 14.491 1.00 0.00 C ATOM 822 NH1 ARG A 56 -4.167 3.628 14.879 1.00 0.00 N ATOM 823 NH2 ARG A 56 -3.335 5.715 15.346 1.00 0.00 N ATOM 0 H ARG A 56 -5.595 5.617 8.148 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.901 7.690 9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.461 6.986 11.718 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.826 5.943 11.373 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.305 4.374 10.169 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.945 5.409 10.558 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.762 4.064 12.599 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.175 3.488 12.131 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.945 6.214 12.987 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.595 2.972 14.225 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.951 3.332 15.831 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.121 6.668 15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.121 5.414 16.297 1.00 0.00 H new ATOM 837 N GLN A 57 -4.805 9.062 9.638 1.00 0.00 N ATOM 838 CA GLN A 57 -3.667 9.924 9.343 1.00 0.00 C ATOM 839 C GLN A 57 -3.371 10.856 10.514 1.00 0.00 C ATOM 840 O GLN A 57 -4.285 11.393 11.139 1.00 0.00 O ATOM 841 CB GLN A 57 -3.935 10.744 8.079 1.00 0.00 C ATOM 842 CG GLN A 57 -4.607 12.080 8.352 1.00 0.00 C ATOM 843 CD GLN A 57 -4.709 12.946 7.112 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.696 12.886 6.378 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.687 13.759 6.872 1.00 0.00 N ATOM 0 H GLN A 57 -5.572 9.527 10.124 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.796 9.289 9.178 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.991 10.920 7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.563 10.162 7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.606 11.905 8.751 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.046 12.615 9.119 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.889 13.776 7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.700 14.366 6.053 1.00 0.00 H new ATOM 854 N ASP A 58 -2.088 11.041 10.806 1.00 0.00 N ATOM 855 CA ASP A 58 -1.672 11.908 11.902 1.00 0.00 C ATOM 856 C ASP A 58 -0.983 13.162 11.372 1.00 0.00 C ATOM 857 O ASP A 58 0.049 13.081 10.706 1.00 0.00 O ATOM 858 CB ASP A 58 -0.733 11.156 12.847 1.00 0.00 C ATOM 859 CG ASP A 58 -0.820 11.661 14.273 1.00 0.00 C ATOM 860 OD1 ASP A 58 -1.951 11.819 14.779 1.00 0.00 O ATOM 861 OD2 ASP A 58 0.243 11.899 14.884 1.00 0.00 O ATOM 0 H ASP A 58 -1.319 10.603 10.299 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.563 12.210 12.452 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.975 10.094 12.826 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.292 11.256 12.491 1.00 0.00 H new ATOM 866 N GLY A 59 -1.562 14.321 11.671 1.00 0.00 N ATOM 867 CA GLY A 59 -0.990 15.575 11.216 1.00 0.00 C ATOM 868 C GLY A 59 -0.775 15.603 9.715 1.00 0.00 C ATOM 869 O GLY A 59 -1.676 15.967 8.959 1.00 0.00 O ATOM 0 H GLY A 59 -2.417 14.414 12.220 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.648 16.396 11.501 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.038 15.740 11.720 1.00 0.00 H new ATOM 873 N SER A 60 0.422 15.219 9.283 1.00 0.00 N ATOM 874 CA SER A 60 0.754 15.207 7.864 1.00 0.00 C ATOM 875 C SER A 60 1.268 13.835 7.438 1.00 0.00 C ATOM 876 O SER A 60 2.230 13.730 6.676 1.00 0.00 O ATOM 877 CB SER A 60 1.804 16.276 7.555 1.00 0.00 C ATOM 878 OG SER A 60 1.377 17.553 7.996 1.00 0.00 O ATOM 0 H SER A 60 1.178 14.912 9.896 1.00 0.00 H new ATOM 0 HA SER A 60 -0.154 15.426 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.745 16.016 8.040 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.995 16.303 6.482 1.00 0.00 H new ATOM 0 HG SER A 60 2.066 18.218 7.788 1.00 0.00 H new ATOM 884 N ARG A 61 0.620 12.787 7.935 1.00 0.00 N ATOM 885 CA ARG A 61 1.011 11.421 7.607 1.00 0.00 C ATOM 886 C ARG A 61 -0.215 10.526 7.455 1.00 0.00 C ATOM 887 O ARG A 61 -0.987 10.348 8.398 1.00 0.00 O ATOM 888 CB ARG A 61 1.934 10.859 8.690 1.00 0.00 C ATOM 889 CG ARG A 61 2.796 9.701 8.214 1.00 0.00 C ATOM 890 CD ARG A 61 3.254 8.833 9.376 1.00 0.00 C ATOM 891 NE ARG A 61 2.272 7.806 9.712 1.00 0.00 N ATOM 892 CZ ARG A 61 2.352 7.038 10.792 1.00 0.00 C ATOM 893 NH1 ARG A 61 3.363 7.181 11.638 1.00 0.00 N ATOM 894 NH2 ARG A 61 1.419 6.124 11.029 1.00 0.00 N ATOM 0 H ARG A 61 -0.178 12.857 8.566 1.00 0.00 H new ATOM 0 HA ARG A 61 1.545 11.441 6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.581 11.657 9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.330 10.528 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.233 9.094 7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.665 10.088 7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.202 8.359 9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.435 9.461 10.248 1.00 0.00 H new ATOM 0 HE ARG A 61 1.481 7.671 9.082 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.082 7.882 11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.422 6.590 12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.639 6.011 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.482 5.535 11.859 1.00 0.00 H new ATOM 908 N CYS A 62 -0.389 9.968 6.262 1.00 0.00 N ATOM 909 CA CYS A 62 -1.522 9.092 5.986 1.00 0.00 C ATOM 910 C CYS A 62 -1.070 7.641 5.861 1.00 0.00 C ATOM 911 O CYS A 62 -0.156 7.329 5.098 1.00 0.00 O ATOM 912 CB CYS A 62 -2.230 9.530 4.703 1.00 0.00 C ATOM 913 SG CYS A 62 -2.159 11.310 4.391 1.00 0.00 S ATOM 0 H CYS A 62 0.240 10.107 5.471 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.219 9.166 6.821 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.784 9.006 3.858 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.274 9.222 4.754 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.636 11.525 3.221 1.00 0.00 H new ATOM 919 N GLU A 63 -1.716 6.758 6.617 1.00 0.00 N ATOM 920 CA GLU A 63 -1.378 5.340 6.592 1.00 0.00 C ATOM 921 C GLU A 63 -2.621 4.488 6.351 1.00 0.00 C ATOM 922 O GLU A 63 -3.642 4.655 7.021 1.00 0.00 O ATOM 923 CB GLU A 63 -0.712 4.929 7.907 1.00 0.00 C ATOM 924 CG GLU A 63 -0.082 3.547 7.864 1.00 0.00 C ATOM 925 CD GLU A 63 -1.043 2.454 8.290 1.00 0.00 C ATOM 926 OE1 GLU A 63 -2.252 2.582 8.001 1.00 0.00 O ATOM 927 OE2 GLU A 63 -0.588 1.471 8.912 1.00 0.00 O ATOM 0 H GLU A 63 -2.475 7.000 7.254 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.680 5.174 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.055 5.661 8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.454 4.956 8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.269 3.343 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.793 3.530 8.514 1.00 0.00 H new ATOM 934 N LEU A 64 -2.528 3.576 5.390 1.00 0.00 N ATOM 935 CA LEU A 64 -3.645 2.698 5.058 1.00 0.00 C ATOM 936 C LEU A 64 -3.331 1.253 5.432 1.00 0.00 C ATOM 937 O LEU A 64 -2.177 0.827 5.384 1.00 0.00 O ATOM 938 CB LEU A 64 -3.968 2.792 3.566 1.00 0.00 C ATOM 939 CG LEU A 64 -5.013 1.806 3.042 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.385 2.129 3.613 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.048 1.825 1.521 1.00 0.00 C ATOM 0 H LEU A 64 -1.691 3.425 4.827 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.513 3.022 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.313 3.804 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.045 2.645 3.005 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.734 0.803 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.116 1.417 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.351 2.063 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.673 3.138 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.797 1.117 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.302 2.827 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.070 1.544 1.131 1.00 0.00 H new ATOM 953 N GLN A 65 -4.365 0.504 5.801 1.00 0.00 N ATOM 954 CA GLN A 65 -4.198 -0.894 6.181 1.00 0.00 C ATOM 955 C GLN A 65 -5.311 -1.754 5.592 1.00 0.00 C ATOM 956 O GLN A 65 -6.489 -1.402 5.670 1.00 0.00 O ATOM 957 CB GLN A 65 -4.182 -1.032 7.704 1.00 0.00 C ATOM 958 CG GLN A 65 -3.475 -2.285 8.195 1.00 0.00 C ATOM 959 CD GLN A 65 -3.642 -2.504 9.685 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.762 -2.577 10.192 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.526 -2.611 10.397 1.00 0.00 N ATOM 0 H GLN A 65 -5.327 0.841 5.845 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.245 -1.242 5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.694 -0.158 8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.208 -1.037 8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.864 -3.151 7.659 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.413 -2.214 7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.619 -2.544 9.936 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.576 -2.760 11.405 1.00 0.00 H new ATOM 970 N ILE A 66 -4.931 -2.883 5.003 1.00 0.00 N ATOM 971 CA ILE A 66 -5.897 -3.793 4.402 1.00 0.00 C ATOM 972 C ILE A 66 -5.703 -5.217 4.913 1.00 0.00 C ATOM 973 O ILE A 66 -4.784 -5.919 4.491 1.00 0.00 O ATOM 974 CB ILE A 66 -5.791 -3.793 2.865 1.00 0.00 C ATOM 975 CG1 ILE A 66 -6.018 -2.383 2.317 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.792 -4.768 2.265 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.367 -2.145 0.972 1.00 0.00 C ATOM 0 H ILE A 66 -3.961 -3.189 4.929 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.886 -3.437 4.690 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.788 -4.115 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.090 -2.204 2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.631 -1.657 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.705 -4.756 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.588 -5.773 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.802 -4.475 2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.570 -1.125 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.290 -2.292 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.772 -2.847 0.243 1.00 0.00 H new ATOM 989 N ARG A 67 -6.576 -5.637 5.823 1.00 0.00 N ATOM 990 CA ARG A 67 -6.501 -6.977 6.392 1.00 0.00 C ATOM 991 C ARG A 67 -6.982 -8.021 5.388 1.00 0.00 C ATOM 992 O ARG A 67 -7.846 -7.746 4.557 1.00 0.00 O ATOM 993 CB ARG A 67 -7.338 -7.059 7.670 1.00 0.00 C ATOM 994 CG ARG A 67 -6.722 -6.324 8.849 1.00 0.00 C ATOM 995 CD ARG A 67 -7.662 -6.300 10.044 1.00 0.00 C ATOM 996 NE ARG A 67 -7.115 -5.528 11.156 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.586 -5.592 12.397 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.606 -6.389 12.682 1.00 0.00 N ATOM 999 NH2 ARG A 67 -7.034 -4.858 13.355 1.00 0.00 N ATOM 0 H ARG A 67 -7.343 -5.069 6.182 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.459 -7.184 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.328 -6.647 7.473 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.476 -8.107 7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.786 -6.806 9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.479 -5.303 8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.619 -5.874 9.743 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.856 -7.321 10.373 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.329 -4.906 10.970 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.031 -6.955 11.948 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.965 -6.436 13.635 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.248 -4.245 13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.396 -4.907 14.307 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.416 -9.221 5.473 1.00 0.00 N ATOM 1014 CA GLY A 68 -6.799 -10.288 4.567 1.00 0.00 C ATOM 1015 C GLY A 68 -6.559 -9.929 3.114 1.00 0.00 C ATOM 1016 O GLY A 68 -7.505 -9.750 2.346 1.00 0.00 O ATOM 0 H GLY A 68 -5.699 -9.473 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.237 -11.189 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.854 -10.521 4.711 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.290 -9.821 2.735 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.927 -9.478 1.364 1.00 0.00 C ATOM 1022 C LEU A 69 -5.491 -10.499 0.381 1.00 0.00 C ATOM 1023 O LEU A 69 -5.864 -11.606 0.766 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.406 -9.403 1.222 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.752 -8.103 1.692 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.246 -8.278 1.815 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -3.083 -6.964 0.740 1.00 0.00 C ATOM 0 H LEU A 69 -4.495 -9.966 3.358 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.356 -8.503 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.968 -10.230 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.151 -9.556 0.173 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.150 -7.853 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.797 -7.343 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.029 -9.065 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.831 -8.552 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.609 -6.047 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.714 -7.205 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.163 -6.823 0.703 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.549 -10.118 -0.891 1.00 0.00 N ATOM 1040 CA ALA A 70 -6.063 -11.001 -1.931 1.00 0.00 C ATOM 1041 C ALA A 70 -5.505 -10.622 -3.298 1.00 0.00 C ATOM 1042 O ALA A 70 -4.992 -9.518 -3.487 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.584 -10.964 -1.950 1.00 0.00 C ATOM 0 H ALA A 70 -5.246 -9.203 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.738 -12.017 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.954 -11.628 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.968 -11.291 -0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.921 -9.947 -2.149 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.609 -11.543 -4.251 1.00 0.00 N ATOM 1050 CA VAL A 71 -5.115 -11.305 -5.602 1.00 0.00 C ATOM 1051 C VAL A 71 -5.912 -10.204 -6.292 1.00 0.00 C ATOM 1052 O VAL A 71 -5.454 -9.610 -7.268 1.00 0.00 O ATOM 1053 CB VAL A 71 -5.181 -12.584 -6.457 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.685 -12.309 -7.869 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -4.376 -13.700 -5.808 1.00 0.00 C ATOM 0 H VAL A 71 -6.031 -12.461 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.075 -10.993 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.221 -12.906 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.739 -13.224 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.308 -11.543 -8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.652 -11.963 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.433 -14.596 -6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.335 -13.390 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.782 -13.914 -4.819 1.00 0.00 H new ATOM 1065 N VAL A 72 -7.108 -9.936 -5.778 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.970 -8.905 -6.344 1.00 0.00 C ATOM 1067 C VAL A 72 -7.621 -7.530 -5.785 1.00 0.00 C ATOM 1068 O VAL A 72 -7.936 -6.505 -6.389 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.456 -9.198 -6.064 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.891 -10.472 -6.773 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.705 -9.300 -4.566 1.00 0.00 C ATOM 0 H VAL A 72 -7.502 -10.419 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.804 -8.910 -7.421 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.052 -8.372 -6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.943 -10.663 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.750 -10.357 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.292 -11.310 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.760 -9.507 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.101 -10.106 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.433 -8.359 -4.087 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.968 -7.516 -4.628 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.574 -6.267 -3.988 1.00 0.00 C ATOM 1083 C ASP A 73 -5.264 -5.746 -4.572 1.00 0.00 C ATOM 1084 O ASP A 73 -4.969 -4.554 -4.494 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.430 -6.466 -2.478 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.747 -6.309 -1.745 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.126 -5.157 -1.446 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -8.400 -7.337 -1.471 1.00 0.00 O ATOM 0 H ASP A 73 -6.701 -8.356 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.354 -5.529 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.025 -7.459 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.712 -5.746 -2.086 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.482 -6.648 -5.156 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.205 -6.280 -5.753 1.00 0.00 C ATOM 1095 C ALA A 74 -3.404 -5.638 -7.122 1.00 0.00 C ATOM 1096 O ALA A 74 -3.823 -6.297 -8.073 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.304 -7.500 -5.867 1.00 0.00 C ATOM 0 H ALA A 74 -4.711 -7.639 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.726 -5.548 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.354 -7.210 -6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.126 -7.915 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.786 -8.251 -6.493 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.102 -4.347 -7.215 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.255 -3.638 -8.472 1.00 0.00 C ATOM 1105 C GLY A 75 -2.622 -2.261 -8.442 1.00 0.00 C ATOM 1106 O GLY A 75 -1.485 -2.085 -8.878 1.00 0.00 O ATOM 0 H GLY A 75 -2.754 -3.779 -6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.805 -4.224 -9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.316 -3.542 -8.705 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.361 -1.282 -7.928 1.00 0.00 N ATOM 1111 CA GLU A 76 -2.864 0.086 -7.846 1.00 0.00 C ATOM 1112 C GLU A 76 -3.768 0.941 -6.963 1.00 0.00 C ATOM 1113 O GLU A 76 -4.965 1.072 -7.224 1.00 0.00 O ATOM 1114 CB GLU A 76 -2.767 0.702 -9.244 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.582 2.210 -9.233 1.00 0.00 C ATOM 1116 CD GLU A 76 -1.866 2.719 -10.469 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -0.634 2.534 -10.558 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -2.537 3.301 -11.346 1.00 0.00 O ATOM 0 H GLU A 76 -4.305 -1.411 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.870 0.058 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.932 0.246 -9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.671 0.459 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.557 2.691 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.017 2.496 -8.346 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.188 1.520 -5.918 1.00 0.00 N ATOM 1126 CA TYR A 77 -3.941 2.360 -4.994 1.00 0.00 C ATOM 1127 C TYR A 77 -3.630 3.836 -5.222 1.00 0.00 C ATOM 1128 O TYR A 77 -2.478 4.213 -5.437 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.622 1.978 -3.548 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.180 0.633 -3.139 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.624 -0.547 -3.616 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.265 0.544 -2.275 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.132 -1.777 -3.246 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.778 -0.682 -1.898 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.209 -1.839 -2.387 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.717 -3.063 -2.014 1.00 0.00 O ATOM 0 H TYR A 77 -2.199 1.423 -5.689 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.003 2.198 -5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.540 1.969 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.020 2.744 -2.883 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.780 -0.502 -4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.714 1.448 -1.892 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.688 -2.685 -3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.620 -0.734 -1.224 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.576 -3.710 -2.737 1.00 0.00 H new ATOM 1146 N SER A 78 -4.667 4.667 -5.173 1.00 0.00 N ATOM 1147 CA SER A 78 -4.506 6.102 -5.378 1.00 0.00 C ATOM 1148 C SER A 78 -5.031 6.884 -4.177 1.00 0.00 C ATOM 1149 O SER A 78 -6.082 6.560 -3.623 1.00 0.00 O ATOM 1150 CB SER A 78 -5.237 6.542 -6.647 1.00 0.00 C ATOM 1151 OG SER A 78 -6.624 6.261 -6.561 1.00 0.00 O ATOM 0 H SER A 78 -5.627 4.371 -4.993 1.00 0.00 H new ATOM 0 HA SER A 78 -3.442 6.312 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.088 7.610 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.812 6.031 -7.511 1.00 0.00 H new ATOM 0 HG SER A 78 -7.069 6.553 -7.384 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.292 7.914 -3.781 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.682 8.742 -2.646 1.00 0.00 C ATOM 1159 C CYS A 79 -4.830 10.202 -3.064 1.00 0.00 C ATOM 1160 O CYS A 79 -3.867 10.837 -3.493 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.650 8.623 -1.523 1.00 0.00 C ATOM 1162 SG CYS A 79 -4.281 9.076 0.110 1.00 0.00 S ATOM 0 H CYS A 79 -3.420 8.196 -4.229 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.646 8.387 -2.283 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.284 7.597 -1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.796 9.258 -1.760 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.230 8.043 0.897 1.00 0.00 H new ATOM 1168 N VAL A 80 -6.044 10.728 -2.937 1.00 0.00 N ATOM 1169 CA VAL A 80 -6.320 12.112 -3.301 1.00 0.00 C ATOM 1170 C VAL A 80 -6.251 13.026 -2.083 1.00 0.00 C ATOM 1171 O VAL A 80 -7.024 12.874 -1.136 1.00 0.00 O ATOM 1172 CB VAL A 80 -7.706 12.254 -3.958 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.838 13.608 -4.639 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -7.944 11.125 -4.949 1.00 0.00 C ATOM 0 H VAL A 80 -6.853 10.216 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.554 12.409 -4.018 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.466 12.190 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.823 13.690 -5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.714 14.400 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.071 13.705 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.928 11.241 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.180 11.155 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.895 10.168 -4.429 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.321 13.974 -2.113 1.00 0.00 N ATOM 1185 CA CYS A 81 -5.150 14.913 -1.010 1.00 0.00 C ATOM 1186 C CYS A 81 -5.577 16.318 -1.422 1.00 0.00 C ATOM 1187 O CYS A 81 -4.784 17.257 -1.377 1.00 0.00 O ATOM 1188 CB CYS A 81 -3.694 14.925 -0.545 1.00 0.00 C ATOM 1189 SG CYS A 81 -2.521 15.483 -1.803 1.00 0.00 S ATOM 0 H CYS A 81 -4.674 14.113 -2.889 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.784 14.587 -0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.608 15.571 0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.417 13.920 -0.226 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.775 14.485 -2.174 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.837 16.454 -1.824 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.348 17.747 -2.240 1.00 0.00 C ATOM 1197 C GLY A 82 -7.225 17.966 -3.735 1.00 0.00 C ATOM 1198 O GLY A 82 -8.140 17.644 -4.492 1.00 0.00 O ATOM 0 H GLY A 82 -7.513 15.692 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.395 17.831 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.807 18.534 -1.715 1.00 0.00 H new ATOM 1202 N GLN A 83 -6.092 18.516 -4.160 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.855 18.779 -5.574 1.00 0.00 C ATOM 1204 C GLN A 83 -4.936 17.723 -6.178 1.00 0.00 C ATOM 1205 O GLN A 83 -5.169 17.245 -7.288 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.245 20.170 -5.761 1.00 0.00 C ATOM 1207 CG GLN A 83 -5.319 20.680 -7.191 1.00 0.00 C ATOM 1208 CD GLN A 83 -6.715 20.581 -7.774 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -7.705 20.552 -7.043 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -6.801 20.529 -9.098 1.00 0.00 N ATOM 0 H GLN A 83 -5.325 18.788 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.814 18.738 -6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.759 20.874 -5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.202 20.145 -5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.990 21.719 -7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.629 20.110 -7.812 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.954 20.556 -9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.714 20.462 -9.548 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.890 17.363 -5.440 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.936 16.363 -5.904 1.00 0.00 C ATOM 1221 C GLU A 84 -3.471 14.953 -5.677 1.00 0.00 C ATOM 1222 O GLU A 84 -4.318 14.731 -4.811 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.595 16.534 -5.186 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.883 17.832 -5.526 1.00 0.00 C ATOM 1225 CD GLU A 84 -0.205 17.788 -6.881 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -0.876 18.087 -7.891 1.00 0.00 O ATOM 1227 OE2 GLU A 84 0.998 17.456 -6.931 1.00 0.00 O ATOM 0 H GLU A 84 -3.682 17.749 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.788 16.508 -6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.761 16.492 -4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.946 15.696 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.602 18.651 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.139 18.046 -4.759 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.972 14.003 -6.462 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.401 12.615 -6.349 1.00 0.00 C ATOM 1236 C ARG A 85 -2.284 11.664 -6.768 1.00 0.00 C ATOM 1237 O ARG A 85 -1.922 11.593 -7.943 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.643 12.370 -7.209 1.00 0.00 C ATOM 1239 CG ARG A 85 -4.966 10.898 -7.406 1.00 0.00 C ATOM 1240 CD ARG A 85 -6.096 10.706 -8.406 1.00 0.00 C ATOM 1241 NE ARG A 85 -5.634 10.834 -9.786 1.00 0.00 N ATOM 1242 CZ ARG A 85 -4.787 9.986 -10.359 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -4.313 8.954 -9.676 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -4.414 10.170 -11.619 1.00 0.00 N ATOM 0 H ARG A 85 -2.270 14.170 -7.183 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.647 12.422 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.498 12.862 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.497 12.835 -8.184 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.077 10.372 -7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.245 10.454 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.543 9.722 -8.263 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.877 11.442 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.981 11.617 -10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.598 8.809 -8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.663 8.305 -10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.778 10.963 -12.148 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.764 9.519 -12.059 1.00 0.00 H new ATOM 1258 N THR A 86 -1.738 10.936 -5.799 1.00 0.00 N ATOM 1259 CA THR A 86 -0.661 9.991 -6.066 1.00 0.00 C ATOM 1260 C THR A 86 -1.204 8.583 -6.276 1.00 0.00 C ATOM 1261 O THR A 86 -2.378 8.315 -6.018 1.00 0.00 O ATOM 1262 CB THR A 86 0.364 9.968 -4.916 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.506 9.191 -5.294 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.254 9.391 -3.652 1.00 0.00 C ATOM 0 H THR A 86 -2.024 10.983 -4.821 1.00 0.00 H new ATOM 0 HA THR A 86 -0.166 10.326 -6.978 1.00 0.00 H new ATOM 0 HB THR A 86 0.674 10.993 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.154 9.182 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.488 9.385 -2.854 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.105 10.002 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.589 8.372 -3.843 1.00 0.00 H new ATOM 1272 N SER A 87 -0.343 7.685 -6.744 1.00 0.00 N ATOM 1273 CA SER A 87 -0.738 6.303 -6.992 1.00 0.00 C ATOM 1274 C SER A 87 0.448 5.360 -6.815 1.00 0.00 C ATOM 1275 O SER A 87 1.601 5.757 -6.977 1.00 0.00 O ATOM 1276 CB SER A 87 -1.313 6.160 -8.402 1.00 0.00 C ATOM 1277 OG SER A 87 -0.434 6.707 -9.369 1.00 0.00 O ATOM 0 H SER A 87 0.633 7.890 -6.959 1.00 0.00 H new ATOM 0 HA SER A 87 -1.505 6.034 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.490 5.107 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.278 6.663 -8.457 1.00 0.00 H new ATOM 0 HG SER A 87 -0.824 6.602 -10.262 1.00 0.00 H new ATOM 1283 N ALA A 88 0.154 4.107 -6.482 1.00 0.00 N ATOM 1284 CA ALA A 88 1.195 3.105 -6.285 1.00 0.00 C ATOM 1285 C ALA A 88 0.678 1.707 -6.605 1.00 0.00 C ATOM 1286 O ALA A 88 -0.467 1.371 -6.299 1.00 0.00 O ATOM 1287 CB ALA A 88 1.719 3.162 -4.857 1.00 0.00 C ATOM 0 H ALA A 88 -0.796 3.762 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 88 2.013 3.327 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.495 2.409 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.135 4.150 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.902 2.968 -4.162 1.00 0.00 H new ATOM 1293 N THR A 89 1.528 0.893 -7.223 1.00 0.00 N ATOM 1294 CA THR A 89 1.157 -0.468 -7.586 1.00 0.00 C ATOM 1295 C THR A 89 1.426 -1.436 -6.440 1.00 0.00 C ATOM 1296 O THR A 89 2.504 -1.425 -5.845 1.00 0.00 O ATOM 1297 CB THR A 89 1.922 -0.945 -8.836 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.728 -0.019 -9.911 1.00 0.00 O ATOM 1299 CG2 THR A 89 1.455 -2.329 -9.261 1.00 0.00 C ATOM 0 H THR A 89 2.479 1.154 -7.483 1.00 0.00 H new ATOM 0 HA THR A 89 0.089 -0.456 -7.805 1.00 0.00 H new ATOM 0 HB THR A 89 2.982 -0.997 -8.589 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.218 -0.328 -10.701 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.009 -2.644 -10.145 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.631 -3.037 -8.451 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.390 -2.299 -9.492 1.00 0.00 H new ATOM 1307 N LEU A 90 0.440 -2.273 -6.135 1.00 0.00 N ATOM 1308 CA LEU A 90 0.571 -3.249 -5.059 1.00 0.00 C ATOM 1309 C LEU A 90 0.777 -4.653 -5.619 1.00 0.00 C ATOM 1310 O LEU A 90 0.345 -4.959 -6.731 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.670 -3.221 -4.164 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.448 -3.589 -2.697 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.078 -2.357 -1.887 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -1.690 -4.255 -2.121 1.00 0.00 C ATOM 0 H LEU A 90 -0.458 -2.295 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 90 1.446 -2.983 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.101 -2.221 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.410 -3.904 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 90 0.379 -4.297 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.076 -2.639 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.839 -1.922 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.883 -1.625 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.514 -4.510 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.535 -3.570 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.911 -5.162 -2.684 1.00 0.00 H new ATOM 1326 N THR A 91 1.437 -5.504 -4.840 1.00 0.00 N ATOM 1327 CA THR A 91 1.699 -6.876 -5.258 1.00 0.00 C ATOM 1328 C THR A 91 1.275 -7.869 -4.181 1.00 0.00 C ATOM 1329 O THR A 91 1.770 -7.827 -3.055 1.00 0.00 O ATOM 1330 CB THR A 91 3.190 -7.090 -5.579 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.604 -6.187 -6.611 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.449 -8.523 -6.019 1.00 0.00 C ATOM 0 H THR A 91 1.800 -5.268 -3.916 1.00 0.00 H new ATOM 0 HA THR A 91 1.112 -7.050 -6.160 1.00 0.00 H new ATOM 0 HB THR A 91 3.765 -6.895 -4.674 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.554 -6.328 -6.808 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.509 -8.650 -6.240 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.161 -9.207 -5.220 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.863 -8.741 -6.912 1.00 0.00 H new ATOM 1340 N VAL A 92 0.356 -8.762 -4.535 1.00 0.00 N ATOM 1341 CA VAL A 92 -0.133 -9.767 -3.600 1.00 0.00 C ATOM 1342 C VAL A 92 0.221 -11.174 -4.070 1.00 0.00 C ATOM 1343 O VAL A 92 -0.423 -11.720 -4.966 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.659 -9.667 -3.416 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -2.160 -10.772 -2.499 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -2.042 -8.298 -2.874 1.00 0.00 C ATOM 0 H VAL A 92 -0.065 -8.809 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 92 0.354 -9.574 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.134 -9.793 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.240 -10.685 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.919 -11.742 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.680 -10.682 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.124 -8.245 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.558 -8.140 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.719 -7.527 -3.573 1.00 0.00 H new ATOM 1356 N ARG A 93 1.248 -11.755 -3.458 1.00 0.00 N ATOM 1357 CA ARG A 93 1.688 -13.098 -3.815 1.00 0.00 C ATOM 1358 C ARG A 93 0.655 -14.139 -3.392 1.00 0.00 C ATOM 1359 O ARG A 93 0.477 -14.404 -2.204 1.00 0.00 O ATOM 1360 CB ARG A 93 3.035 -13.407 -3.160 1.00 0.00 C ATOM 1361 CG ARG A 93 4.169 -12.523 -3.653 1.00 0.00 C ATOM 1362 CD ARG A 93 5.527 -13.126 -3.329 1.00 0.00 C ATOM 1363 NE ARG A 93 5.952 -14.091 -4.339 1.00 0.00 N ATOM 1364 CZ ARG A 93 6.417 -13.747 -5.535 1.00 0.00 C ATOM 1365 NH1 ARG A 93 6.516 -12.468 -5.868 1.00 0.00 N ATOM 1366 NH2 ARG A 93 6.784 -14.684 -6.400 1.00 0.00 N ATOM 0 H ARG A 93 1.790 -11.317 -2.713 1.00 0.00 H new ATOM 0 HA ARG A 93 1.800 -13.141 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.939 -13.292 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.290 -14.450 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.080 -12.382 -4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.089 -11.537 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.268 -12.330 -3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.484 -13.615 -2.356 1.00 0.00 H new ATOM 0 HE ARG A 93 5.888 -15.084 -4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.235 -11.745 -5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.873 -12.206 -6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.709 -15.669 -6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.141 -14.419 -7.318 1.00 0.00 H new ATOM 1380 N ALA A 94 -0.024 -14.724 -4.374 1.00 0.00 N ATOM 1381 CA ALA A 94 -1.038 -15.736 -4.105 1.00 0.00 C ATOM 1382 C ALA A 94 -0.448 -16.912 -3.334 1.00 0.00 C ATOM 1383 O ALA A 94 0.453 -17.597 -3.821 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.664 -16.215 -5.406 1.00 0.00 C ATOM 0 H ALA A 94 0.110 -14.514 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.814 -15.283 -3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.419 -16.970 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.129 -15.373 -5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.892 -16.646 -6.044 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.961 -17.141 -2.130 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.484 -18.236 -1.292 1.00 0.00 C ATOM 1392 C LEU A 95 -0.592 -19.570 -2.023 1.00 0.00 C ATOM 1393 O LEU A 95 -1.524 -19.811 -2.791 1.00 0.00 O ATOM 1394 CB LEU A 95 -1.282 -18.290 0.012 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.929 -17.234 1.060 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.990 -17.186 2.148 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.441 -17.516 1.660 1.00 0.00 C ATOM 0 H LEU A 95 -1.706 -16.584 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 95 0.566 -18.054 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.341 -18.194 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.145 -19.275 0.458 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.896 -16.261 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.722 -16.429 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.954 -16.936 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.056 -18.159 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.676 -16.755 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.435 -18.497 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.194 -17.498 0.872 1.00 0.00 H new ATOM 1409 N PRO A 96 0.382 -20.459 -1.780 1.00 0.00 N ATOM 1410 CA PRO A 96 0.417 -21.785 -2.404 1.00 0.00 C ATOM 1411 C PRO A 96 -0.685 -22.701 -1.881 1.00 0.00 C ATOM 1412 O PRO A 96 -1.122 -22.572 -0.738 1.00 0.00 O ATOM 1413 CB PRO A 96 1.794 -22.326 -2.010 1.00 0.00 C ATOM 1414 CG PRO A 96 2.138 -21.606 -0.752 1.00 0.00 C ATOM 1415 CD PRO A 96 1.523 -20.239 -0.876 1.00 0.00 C ATOM 0 HA PRO A 96 0.256 -21.733 -3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.766 -23.404 -1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.532 -22.136 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.747 -22.132 0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.218 -21.538 -0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.201 -19.854 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.228 -19.517 -1.287 1.00 0.00 H new ATOM 1423 N ALA A 97 -1.128 -23.626 -2.726 1.00 0.00 N ATOM 1424 CA ALA A 97 -2.177 -24.565 -2.348 1.00 0.00 C ATOM 1425 C ALA A 97 -1.780 -25.998 -2.688 1.00 0.00 C ATOM 1426 O ALA A 97 -2.610 -26.794 -3.129 1.00 0.00 O ATOM 1427 CB ALA A 97 -3.485 -24.200 -3.035 1.00 0.00 C ATOM 0 H ALA A 97 -0.777 -23.745 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.316 -24.501 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.259 -24.910 -2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.784 -23.195 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.350 -24.234 -4.116 1.00 0.00 H new ATOM 1433 N ARG A 98 -0.507 -26.319 -2.482 1.00 0.00 N ATOM 1434 CA ARG A 98 -0.001 -27.656 -2.769 1.00 0.00 C ATOM 1435 C ARG A 98 1.167 -28.003 -1.850 1.00 0.00 C ATOM 1436 O ARG A 98 1.951 -27.133 -1.469 1.00 0.00 O ATOM 1437 CB ARG A 98 0.440 -27.754 -4.231 1.00 0.00 C ATOM 1438 CG ARG A 98 -0.718 -27.856 -5.210 1.00 0.00 C ATOM 1439 CD ARG A 98 -0.226 -28.052 -6.636 1.00 0.00 C ATOM 1440 NE ARG A 98 0.051 -29.456 -6.931 1.00 0.00 N ATOM 1441 CZ ARG A 98 0.506 -29.884 -8.103 1.00 0.00 C ATOM 1442 NH1 ARG A 98 0.734 -29.022 -9.084 1.00 0.00 N ATOM 1443 NH2 ARG A 98 0.733 -31.177 -8.295 1.00 0.00 N ATOM 0 H ARG A 98 0.192 -25.672 -2.118 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.806 -28.369 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.040 -26.879 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.083 -28.626 -4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.362 -28.689 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -1.324 -26.952 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.975 -27.676 -7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.678 -27.464 -6.792 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.114 -30.145 -6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.560 -28.027 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.083 -29.353 -9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.558 -31.843 -7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.082 -31.505 -9.195 1.00 0.00 H new ATOM 1457 N PHE A 99 1.277 -29.280 -1.498 1.00 0.00 N ATOM 1458 CA PHE A 99 2.347 -29.742 -0.623 1.00 0.00 C ATOM 1459 C PHE A 99 3.348 -30.599 -1.394 1.00 0.00 C ATOM 1460 O PHE A 99 2.979 -31.598 -2.011 1.00 0.00 O ATOM 1461 CB PHE A 99 1.769 -30.541 0.547 1.00 0.00 C ATOM 1462 CG PHE A 99 2.672 -30.586 1.746 1.00 0.00 C ATOM 1463 CD1 PHE A 99 2.605 -29.601 2.718 1.00 0.00 C ATOM 1464 CD2 PHE A 99 3.588 -31.614 1.903 1.00 0.00 C ATOM 1465 CE1 PHE A 99 3.435 -29.639 3.822 1.00 0.00 C ATOM 1466 CE2 PHE A 99 4.421 -31.658 3.005 1.00 0.00 C ATOM 1467 CZ PHE A 99 4.343 -30.670 3.967 1.00 0.00 C ATOM 0 H PHE A 99 0.638 -30.013 -1.806 1.00 0.00 H new ATOM 0 HA PHE A 99 2.868 -28.867 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.814 -30.104 0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.567 -31.560 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.895 -28.794 2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.652 -32.390 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.374 -28.863 4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.132 -32.464 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.990 -30.703 4.831 1.00 0.00 H new ATOM 1477 N ILE A 100 4.615 -30.200 -1.352 1.00 0.00 N ATOM 1478 CA ILE A 100 5.668 -30.930 -2.046 1.00 0.00 C ATOM 1479 C ILE A 100 6.046 -32.200 -1.290 1.00 0.00 C ATOM 1480 O ILE A 100 6.310 -32.163 -0.089 1.00 0.00 O ATOM 1481 CB ILE A 100 6.927 -30.063 -2.230 1.00 0.00 C ATOM 1482 CG1 ILE A 100 7.954 -30.794 -3.097 1.00 0.00 C ATOM 1483 CG2 ILE A 100 7.526 -29.704 -0.879 1.00 0.00 C ATOM 1484 CD1 ILE A 100 9.021 -29.885 -3.667 1.00 0.00 C ATOM 0 H ILE A 100 4.937 -29.376 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 100 5.274 -31.196 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 100 6.643 -29.140 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.431 -31.572 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.436 -31.292 -3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.415 -29.091 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.795 -29.147 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.798 -30.616 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 100 9.714 -30.471 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.554 -29.122 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.565 -29.406 -2.852 1.00 0.00 H new ATOM 1496 N GLU A 101 6.071 -33.321 -2.003 1.00 0.00 N ATOM 1497 CA GLU A 101 6.417 -34.602 -1.399 1.00 0.00 C ATOM 1498 C GLU A 101 7.886 -34.629 -0.984 1.00 0.00 C ATOM 1499 O GLU A 101 8.679 -33.794 -1.418 1.00 0.00 O ATOM 1500 CB GLU A 101 6.131 -35.746 -2.375 1.00 0.00 C ATOM 1501 CG GLU A 101 6.886 -35.628 -3.689 1.00 0.00 C ATOM 1502 CD GLU A 101 6.768 -36.876 -4.542 1.00 0.00 C ATOM 1503 OE1 GLU A 101 5.628 -37.261 -4.875 1.00 0.00 O ATOM 1504 OE2 GLU A 101 7.816 -37.466 -4.878 1.00 0.00 O ATOM 0 H GLU A 101 5.856 -33.368 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 101 5.803 -34.732 -0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.391 -36.692 -1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.061 -35.777 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.505 -34.773 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.938 -35.431 -3.483 1.00 0.00 H new ATOM 1511 N SER A 102 8.239 -35.594 -0.142 1.00 0.00 N ATOM 1512 CA SER A 102 9.611 -35.727 0.336 1.00 0.00 C ATOM 1513 C SER A 102 10.243 -37.016 -0.180 1.00 0.00 C ATOM 1514 O SER A 102 9.926 -38.108 0.290 1.00 0.00 O ATOM 1515 CB SER A 102 9.645 -35.706 1.865 1.00 0.00 C ATOM 1516 OG SER A 102 10.976 -35.776 2.347 1.00 0.00 O ATOM 0 H SER A 102 7.595 -36.295 0.224 1.00 0.00 H new ATOM 0 HA SER A 102 10.186 -34.883 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.170 -34.795 2.230 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.069 -36.544 2.256 1.00 0.00 H new ATOM 0 HG SER A 102 10.970 -35.759 3.327 1.00 0.00 H new ATOM 1522 N GLY A 103 11.140 -36.880 -1.153 1.00 0.00 N ATOM 1523 CA GLY A 103 11.803 -38.041 -1.718 1.00 0.00 C ATOM 1524 C GLY A 103 13.302 -37.853 -1.834 1.00 0.00 C ATOM 1525 O GLY A 103 13.869 -37.875 -2.927 1.00 0.00 O ATOM 0 H GLY A 103 11.419 -35.987 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 103 11.596 -38.912 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 103 11.388 -38.248 -2.705 1.00 0.00 H new ATOM 1529 N PRO A 104 13.969 -37.660 -0.687 1.00 0.00 N ATOM 1530 CA PRO A 104 15.421 -37.462 -0.639 1.00 0.00 C ATOM 1531 C PRO A 104 16.191 -38.731 -0.988 1.00 0.00 C ATOM 1532 O PRO A 104 16.133 -39.723 -0.261 1.00 0.00 O ATOM 1533 CB PRO A 104 15.676 -37.065 0.817 1.00 0.00 C ATOM 1534 CG PRO A 104 14.542 -37.661 1.578 1.00 0.00 C ATOM 1535 CD PRO A 104 13.358 -37.622 0.652 1.00 0.00 C ATOM 0 HA PRO A 104 15.756 -36.719 -1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 104 16.634 -37.448 1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.704 -35.982 0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 104 14.769 -38.684 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.344 -37.097 2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 104 12.693 -38.470 0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.764 -36.719 0.797 1.00 0.00 H new ATOM 1543 N SER A 105 16.912 -38.692 -2.103 1.00 0.00 N ATOM 1544 CA SER A 105 17.691 -39.841 -2.550 1.00 0.00 C ATOM 1545 C SER A 105 18.720 -39.425 -3.597 1.00 0.00 C ATOM 1546 O SER A 105 18.373 -39.118 -4.737 1.00 0.00 O ATOM 1547 CB SER A 105 16.769 -40.917 -3.125 1.00 0.00 C ATOM 1548 OG SER A 105 17.347 -42.205 -3.000 1.00 0.00 O ATOM 0 H SER A 105 16.973 -37.877 -2.714 1.00 0.00 H new ATOM 0 HA SER A 105 18.219 -40.248 -1.688 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.810 -40.894 -2.607 1.00 0.00 H new ATOM 0 HB3 SER A 105 16.569 -40.705 -4.175 1.00 0.00 H new ATOM 0 HG SER A 105 16.737 -42.875 -3.373 1.00 0.00 H new ATOM 1554 N SER A 106 19.989 -39.418 -3.201 1.00 0.00 N ATOM 1555 CA SER A 106 21.070 -39.036 -4.102 1.00 0.00 C ATOM 1556 C SER A 106 21.770 -40.270 -4.664 1.00 0.00 C ATOM 1557 O SER A 106 21.672 -41.361 -4.105 1.00 0.00 O ATOM 1558 CB SER A 106 22.081 -38.150 -3.374 1.00 0.00 C ATOM 1559 OG SER A 106 21.724 -36.782 -3.471 1.00 0.00 O ATOM 0 H SER A 106 20.294 -39.673 -2.262 1.00 0.00 H new ATOM 0 HA SER A 106 20.638 -38.475 -4.931 1.00 0.00 H new ATOM 0 HB2 SER A 106 22.135 -38.441 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 106 23.073 -38.301 -3.799 1.00 0.00 H new ATOM 0 HG SER A 106 22.385 -36.237 -2.996 1.00 0.00 H new ATOM 1565 N GLY A 107 22.476 -40.087 -5.776 1.00 0.00 N ATOM 1566 CA GLY A 107 23.183 -41.193 -6.396 1.00 0.00 C ATOM 1567 C GLY A 107 23.859 -40.794 -7.693 1.00 0.00 C ATOM 1568 O GLY A 107 23.234 -40.194 -8.567 1.00 0.00 O ATOM 0 H GLY A 107 22.571 -39.193 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 107 23.932 -41.576 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 107 22.482 -42.005 -6.590 1.00 0.00 H new TER 1572 GLY A 107