USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= -0.364 USER MOD Set 2.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.127) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 60:sc= 0.853 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.00243 X(o=0.0024,f=-0.31) USER MOD Single : A 26 LYS NZ :NH3+ 155:sc=-0.00787 (180deg=-0.77) USER MOD Single : A 31 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 32 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.3!) USER MOD Single : A 44 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.44) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 51 TYR OH : rot 115:sc= -0.46 USER MOD Single : A 59 ASN : amide:sc= -1.19 X(o=-1.2,f=-1!) USER MOD Single : A 60 MET CE :methyl -163:sc= -0.37 (180deg=-0.975) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0438 F(o=-4.6!,f=-0.044) USER MOD Single : A 63 MET CE :methyl -156:sc= 0 (180deg=-0.00366) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 86:sc= 0.974 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -138:sc= 0.227 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0876 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.0736 K(o=-0.074,f=-1.1) USER MOD Single : A 100 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.2) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 150:sc= -4.05! USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= -1.04 (180deg=-2.13!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.1!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -143:sc= 0.166 (180deg=-0.635) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.760 0.036 8.618 1.00 0.00 N ATOM 2 CA ALA A 2 -12.565 0.772 9.123 1.00 0.00 C ATOM 3 C ALA A 2 -12.569 2.194 8.563 1.00 0.00 C ATOM 4 O ALA A 2 -11.784 2.532 7.700 1.00 0.00 O ATOM 5 CB ALA A 2 -11.295 0.052 8.663 1.00 0.00 C ATOM 0 HA ALA A 2 -12.593 0.808 10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.420 0.588 9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.290 -0.964 9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.269 0.019 7.574 1.00 0.00 H new ATOM 11 N ASP A 3 -13.449 3.031 9.044 1.00 0.00 N ATOM 12 CA ASP A 3 -13.503 4.428 8.531 1.00 0.00 C ATOM 13 C ASP A 3 -13.860 4.398 7.045 1.00 0.00 C ATOM 14 O ASP A 3 -13.318 3.622 6.287 1.00 0.00 O ATOM 15 CB ASP A 3 -12.136 5.094 8.711 1.00 0.00 C ATOM 16 CG ASP A 3 -12.313 6.448 9.400 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.533 6.456 10.600 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.225 7.454 8.716 1.00 0.00 O ATOM 0 H ASP A 3 -14.131 2.807 9.769 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.255 4.993 9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.484 4.454 9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.655 5.227 7.742 1.00 0.00 H new ATOM 23 N LYS A 4 -14.771 5.228 6.618 1.00 0.00 N ATOM 24 CA LYS A 4 -15.145 5.224 5.177 1.00 0.00 C ATOM 25 C LYS A 4 -14.258 6.203 4.410 1.00 0.00 C ATOM 26 O LYS A 4 -14.582 6.608 3.311 1.00 0.00 O ATOM 27 CB LYS A 4 -16.603 5.646 5.006 1.00 0.00 C ATOM 28 CG LYS A 4 -17.490 4.847 5.969 1.00 0.00 C ATOM 29 CD LYS A 4 -18.678 4.234 5.214 1.00 0.00 C ATOM 30 CE LYS A 4 -19.638 5.343 4.770 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.418 5.824 5.944 1.00 0.00 N ATOM 0 H LYS A 4 -15.268 5.903 7.199 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.010 4.214 4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.708 6.713 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.922 5.477 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.906 4.058 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.853 5.497 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.322 3.679 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.200 3.523 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.079 6.168 4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.313 4.968 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.213 6.409 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.784 5.008 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.802 6.391 6.561 1.00 0.00 H new ATOM 45 N GLU A 5 -13.151 6.602 4.972 1.00 0.00 N ATOM 46 CA GLU A 5 -12.276 7.565 4.250 1.00 0.00 C ATOM 47 C GLU A 5 -10.827 7.431 4.719 1.00 0.00 C ATOM 48 O GLU A 5 -10.142 8.416 4.911 1.00 0.00 O ATOM 49 CB GLU A 5 -12.765 8.991 4.514 1.00 0.00 C ATOM 50 CG GLU A 5 -12.903 9.218 6.022 1.00 0.00 C ATOM 51 CD GLU A 5 -12.146 10.487 6.418 1.00 0.00 C ATOM 52 OE1 GLU A 5 -12.278 11.475 5.716 1.00 0.00 O ATOM 53 OE2 GLU A 5 -11.447 10.448 7.418 1.00 0.00 O ATOM 0 H GLU A 5 -12.818 6.307 5.890 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.320 7.347 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.064 9.710 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.724 9.154 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.955 9.310 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.508 8.361 6.567 1.00 0.00 H new ATOM 60 N LEU A 6 -10.336 6.233 4.888 1.00 0.00 N ATOM 61 CA LEU A 6 -8.928 6.085 5.319 1.00 0.00 C ATOM 62 C LEU A 6 -8.044 6.599 4.182 1.00 0.00 C ATOM 63 O LEU A 6 -8.360 6.429 3.024 1.00 0.00 O ATOM 64 CB LEU A 6 -8.641 4.612 5.626 1.00 0.00 C ATOM 65 CG LEU A 6 -7.186 4.418 6.080 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.903 5.268 7.316 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.966 2.946 6.425 1.00 0.00 C ATOM 0 H LEU A 6 -10.848 5.362 4.747 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.726 6.656 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.319 4.260 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.833 4.008 4.739 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.515 4.722 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.869 5.122 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.066 6.319 7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.572 4.970 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.936 2.798 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.644 2.655 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.162 2.333 5.545 1.00 0.00 H new ATOM 79 N LYS A 7 -6.970 7.265 4.493 1.00 0.00 N ATOM 80 CA LYS A 7 -6.105 7.825 3.413 1.00 0.00 C ATOM 81 C LYS A 7 -5.226 6.736 2.790 1.00 0.00 C ATOM 82 O LYS A 7 -4.574 5.980 3.487 1.00 0.00 O ATOM 83 CB LYS A 7 -5.213 8.912 4.004 1.00 0.00 C ATOM 84 CG LYS A 7 -5.865 10.283 3.800 1.00 0.00 C ATOM 85 CD LYS A 7 -5.312 11.273 4.827 1.00 0.00 C ATOM 86 CE LYS A 7 -5.982 12.635 4.634 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.939 13.695 4.531 1.00 0.00 N ATOM 0 H LYS A 7 -6.652 7.447 5.445 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.746 8.238 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.055 8.728 5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.233 8.890 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.669 10.644 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.947 10.201 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.494 10.906 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.232 11.367 4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.595 12.625 3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.648 12.846 5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.396 14.620 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.372 13.710 5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.321 13.496 3.719 1.00 0.00 H new ATOM 101 N PHE A 8 -5.201 6.664 1.476 1.00 0.00 N ATOM 102 CA PHE A 8 -4.369 5.644 0.786 1.00 0.00 C ATOM 103 C PHE A 8 -3.404 6.319 -0.188 1.00 0.00 C ATOM 104 O PHE A 8 -3.725 7.317 -0.798 1.00 0.00 O ATOM 105 CB PHE A 8 -5.262 4.733 -0.058 1.00 0.00 C ATOM 106 CG PHE A 8 -6.142 3.861 0.800 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.337 4.369 1.307 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.775 2.538 1.065 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.167 3.558 2.086 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.608 1.722 1.846 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.803 2.235 2.356 1.00 0.00 C ATOM 0 H PHE A 8 -5.729 7.277 0.855 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.830 5.083 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.883 5.341 -0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.641 4.105 -0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.622 5.390 1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.851 2.144 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.091 3.954 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.326 0.700 2.052 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.446 1.610 2.959 1.00 0.00 H new ATOM 121 N LEU A 9 -2.239 5.755 -0.360 1.00 0.00 N ATOM 122 CA LEU A 9 -1.260 6.326 -1.335 1.00 0.00 C ATOM 123 C LEU A 9 -0.905 5.264 -2.379 1.00 0.00 C ATOM 124 O LEU A 9 -0.324 4.244 -2.065 1.00 0.00 O ATOM 125 CB LEU A 9 -0.007 6.764 -0.596 1.00 0.00 C ATOM 126 CG LEU A 9 1.032 7.323 -1.577 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.497 8.605 -2.222 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.326 7.630 -0.820 1.00 0.00 C ATOM 0 H LEU A 9 -1.920 4.921 0.133 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.700 7.189 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.261 7.523 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.416 5.919 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 9 1.230 6.587 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.238 8.999 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.425 8.384 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.297 9.346 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.067 8.028 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.126 8.366 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.708 6.716 -0.366 1.00 0.00 H new ATOM 140 N VAL A 10 -1.240 5.507 -3.620 1.00 0.00 N ATOM 141 CA VAL A 10 -0.917 4.529 -4.699 1.00 0.00 C ATOM 142 C VAL A 10 0.261 5.061 -5.521 1.00 0.00 C ATOM 143 O VAL A 10 0.133 6.022 -6.256 1.00 0.00 O ATOM 144 CB VAL A 10 -2.136 4.352 -5.605 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.002 3.205 -5.082 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.958 5.642 -5.612 1.00 0.00 C ATOM 0 H VAL A 10 -1.727 6.347 -3.933 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.652 3.568 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.802 4.124 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.870 3.080 -5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.420 2.284 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.334 3.432 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.827 5.516 -6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.289 5.868 -4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.345 6.462 -5.985 1.00 0.00 H new ATOM 156 N VAL A 11 1.407 4.444 -5.389 1.00 0.00 N ATOM 157 CA VAL A 11 2.605 4.895 -6.139 1.00 0.00 C ATOM 158 C VAL A 11 2.903 3.912 -7.273 1.00 0.00 C ATOM 159 O VAL A 11 4.026 3.781 -7.717 1.00 0.00 O ATOM 160 CB VAL A 11 3.795 4.964 -5.179 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.037 5.465 -5.919 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.457 5.930 -4.044 1.00 0.00 C ATOM 0 H VAL A 11 1.560 3.637 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 11 2.425 5.881 -6.567 1.00 0.00 H new ATOM 0 HB VAL A 11 3.998 3.971 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.879 5.511 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.274 4.782 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.844 6.459 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.298 5.988 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.257 6.919 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.575 5.573 -3.513 1.00 0.00 H new ATOM 172 N ASP A 12 1.904 3.221 -7.747 1.00 0.00 N ATOM 173 CA ASP A 12 2.128 2.248 -8.853 1.00 0.00 C ATOM 174 C ASP A 12 2.424 3.004 -10.150 1.00 0.00 C ATOM 175 O ASP A 12 1.602 3.749 -10.647 1.00 0.00 O ATOM 176 CB ASP A 12 0.873 1.393 -9.036 1.00 0.00 C ATOM 177 CG ASP A 12 -0.339 2.137 -8.472 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.448 3.326 -8.722 1.00 0.00 O ATOM 179 OD2 ASP A 12 -1.138 1.505 -7.801 1.00 0.00 O ATOM 0 H ASP A 12 0.941 3.288 -7.416 1.00 0.00 H new ATOM 0 HA ASP A 12 2.975 1.607 -8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.720 1.175 -10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.995 0.436 -8.528 1.00 0.00 H new ATOM 184 N ASP A 13 3.591 2.818 -10.705 1.00 0.00 N ATOM 185 CA ASP A 13 3.935 3.526 -11.971 1.00 0.00 C ATOM 186 C ASP A 13 3.012 3.038 -13.091 1.00 0.00 C ATOM 187 O ASP A 13 2.922 3.641 -14.142 1.00 0.00 O ATOM 188 CB ASP A 13 5.389 3.228 -12.344 1.00 0.00 C ATOM 189 CG ASP A 13 6.321 4.113 -11.515 1.00 0.00 C ATOM 190 OD1 ASP A 13 6.222 4.069 -10.299 1.00 0.00 O ATOM 191 OD2 ASP A 13 7.119 4.819 -12.109 1.00 0.00 O ATOM 0 H ASP A 13 4.320 2.207 -10.337 1.00 0.00 H new ATOM 0 HA ASP A 13 3.808 4.600 -11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.613 2.177 -12.164 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.547 3.410 -13.407 1.00 0.00 H new ATOM 196 N PHE A 14 2.327 1.948 -12.873 1.00 0.00 N ATOM 197 CA PHE A 14 1.410 1.419 -13.923 1.00 0.00 C ATOM 198 C PHE A 14 0.553 2.559 -14.475 1.00 0.00 C ATOM 199 O PHE A 14 0.110 3.423 -13.744 1.00 0.00 O ATOM 200 CB PHE A 14 0.501 0.349 -13.316 1.00 0.00 C ATOM 201 CG PHE A 14 0.832 -0.998 -13.916 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.666 -1.210 -15.290 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.304 -2.034 -13.100 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.971 -2.457 -15.848 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.609 -3.281 -13.659 1.00 0.00 C ATOM 206 CZ PHE A 14 1.442 -3.493 -15.032 1.00 0.00 C ATOM 0 H PHE A 14 2.363 1.401 -12.013 1.00 0.00 H new ATOM 0 HA PHE A 14 1.998 0.982 -14.730 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.631 0.318 -12.234 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.544 0.595 -13.505 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.303 -0.411 -15.919 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.433 -1.871 -12.040 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.843 -2.620 -16.908 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.973 -4.080 -13.030 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.676 -4.455 -15.462 1.00 0.00 H new ATOM 216 N SER A 15 0.315 2.565 -15.759 1.00 0.00 N ATOM 217 CA SER A 15 -0.516 3.646 -16.363 1.00 0.00 C ATOM 218 C SER A 15 -1.952 3.150 -16.536 1.00 0.00 C ATOM 219 O SER A 15 -2.551 3.304 -17.582 1.00 0.00 O ATOM 220 CB SER A 15 0.058 4.025 -17.729 1.00 0.00 C ATOM 221 OG SER A 15 -0.253 3.005 -18.669 1.00 0.00 O ATOM 0 H SER A 15 0.661 1.866 -16.417 1.00 0.00 H new ATOM 0 HA SER A 15 -0.509 4.518 -15.709 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.356 4.978 -18.059 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.138 4.154 -17.659 1.00 0.00 H new ATOM 0 HG SER A 15 -1.226 2.910 -18.739 1.00 0.00 H new ATOM 227 N THR A 16 -2.511 2.555 -15.517 1.00 0.00 N ATOM 228 CA THR A 16 -3.909 2.051 -15.626 1.00 0.00 C ATOM 229 C THR A 16 -4.308 1.362 -14.321 1.00 0.00 C ATOM 230 O THR A 16 -5.446 1.418 -13.903 1.00 0.00 O ATOM 231 CB THR A 16 -4.005 1.049 -16.780 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.092 0.165 -16.547 1.00 0.00 O ATOM 233 CG2 THR A 16 -2.705 0.249 -16.875 1.00 0.00 C ATOM 0 H THR A 16 -2.061 2.397 -14.616 1.00 0.00 H new ATOM 0 HA THR A 16 -4.580 2.889 -15.815 1.00 0.00 H new ATOM 0 HB THR A 16 -4.166 1.586 -17.715 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.156 -0.476 -17.285 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.775 -0.464 -17.697 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.872 0.929 -17.054 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.540 -0.289 -15.942 1.00 0.00 H new ATOM 241 N MET A 17 -3.381 0.711 -13.673 1.00 0.00 N ATOM 242 CA MET A 17 -3.712 0.019 -12.396 1.00 0.00 C ATOM 243 C MET A 17 -4.199 1.043 -11.368 1.00 0.00 C ATOM 244 O MET A 17 -5.198 0.845 -10.705 1.00 0.00 O ATOM 245 CB MET A 17 -2.465 -0.689 -11.862 1.00 0.00 C ATOM 246 CG MET A 17 -2.882 -1.808 -10.906 1.00 0.00 C ATOM 247 SD MET A 17 -3.074 -3.352 -11.832 1.00 0.00 S ATOM 248 CE MET A 17 -3.360 -4.437 -10.412 1.00 0.00 C ATOM 0 H MET A 17 -2.410 0.629 -13.973 1.00 0.00 H new ATOM 0 HA MET A 17 -4.498 -0.715 -12.575 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.885 -1.100 -12.689 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.822 0.024 -11.346 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.133 -1.931 -10.124 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.818 -1.549 -10.412 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.507 -5.460 -10.759 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.498 -4.400 -9.746 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.248 -4.106 -9.874 1.00 0.00 H new ATOM 258 N ARG A 18 -3.502 2.137 -11.231 1.00 0.00 N ATOM 259 CA ARG A 18 -3.925 3.172 -10.245 1.00 0.00 C ATOM 260 C ARG A 18 -5.397 3.485 -10.437 1.00 0.00 C ATOM 261 O ARG A 18 -6.094 3.842 -9.508 1.00 0.00 O ATOM 262 CB ARG A 18 -3.095 4.447 -10.456 1.00 0.00 C ATOM 263 CG ARG A 18 -3.890 5.529 -11.211 1.00 0.00 C ATOM 264 CD ARG A 18 -2.954 6.685 -11.583 1.00 0.00 C ATOM 265 NE ARG A 18 -3.603 7.528 -12.625 1.00 0.00 N ATOM 266 CZ ARG A 18 -3.734 7.074 -13.842 1.00 0.00 C ATOM 267 NH1 ARG A 18 -2.711 7.071 -14.651 1.00 0.00 N ATOM 268 NH2 ARG A 18 -4.888 6.621 -14.248 1.00 0.00 N ATOM 0 H ARG A 18 -2.658 2.359 -11.759 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.765 2.798 -9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.777 4.838 -9.489 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.191 4.204 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.337 5.106 -12.110 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.708 5.895 -10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.730 7.285 -10.701 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.005 6.296 -11.953 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.945 8.459 -12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.808 7.423 -14.333 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.814 6.716 -15.602 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.688 6.622 -13.615 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.991 6.266 -15.199 1.00 0.00 H new ATOM 282 N ARG A 19 -5.871 3.392 -11.640 1.00 0.00 N ATOM 283 CA ARG A 19 -7.287 3.727 -11.878 1.00 0.00 C ATOM 284 C ARG A 19 -8.181 2.609 -11.335 1.00 0.00 C ATOM 285 O ARG A 19 -9.205 2.856 -10.729 1.00 0.00 O ATOM 286 CB ARG A 19 -7.524 3.911 -13.382 1.00 0.00 C ATOM 287 CG ARG A 19 -9.019 4.107 -13.668 1.00 0.00 C ATOM 288 CD ARG A 19 -9.569 5.242 -12.803 1.00 0.00 C ATOM 289 NE ARG A 19 -10.800 5.793 -13.436 1.00 0.00 N ATOM 290 CZ ARG A 19 -11.898 5.906 -12.739 1.00 0.00 C ATOM 291 NH1 ARG A 19 -12.601 4.845 -12.454 1.00 0.00 N ATOM 292 NH2 ARG A 19 -12.291 7.080 -12.328 1.00 0.00 N ATOM 0 H ARG A 19 -5.342 3.100 -12.462 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.533 4.656 -11.363 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.962 4.773 -13.742 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.155 3.040 -13.924 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.170 4.336 -14.723 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.562 3.185 -13.462 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.795 4.875 -11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.820 6.027 -12.694 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.785 6.082 -14.414 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.293 3.927 -12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.459 4.933 -11.909 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.740 7.909 -12.551 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.149 7.169 -11.783 1.00 0.00 H new ATOM 306 N ILE A 20 -7.802 1.381 -11.554 1.00 0.00 N ATOM 307 CA ILE A 20 -8.623 0.240 -11.060 1.00 0.00 C ATOM 308 C ILE A 20 -8.778 0.334 -9.541 1.00 0.00 C ATOM 309 O ILE A 20 -9.871 0.282 -9.013 1.00 0.00 O ATOM 310 CB ILE A 20 -7.924 -1.075 -11.434 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.446 -1.553 -12.790 1.00 0.00 C ATOM 312 CG2 ILE A 20 -8.202 -2.151 -10.378 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.255 -0.447 -13.829 1.00 0.00 C ATOM 0 H ILE A 20 -6.955 1.117 -12.057 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.612 0.272 -11.517 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.849 -0.901 -11.484 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.915 -2.453 -13.099 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.501 -1.816 -12.713 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.699 -3.076 -10.660 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.830 -1.816 -9.410 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.276 -2.328 -10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.627 -0.787 -14.795 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.806 0.441 -13.520 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.195 -0.205 -13.913 1.00 0.00 H new ATOM 325 N VAL A 21 -7.690 0.454 -8.834 1.00 0.00 N ATOM 326 CA VAL A 21 -7.771 0.532 -7.348 1.00 0.00 C ATOM 327 C VAL A 21 -8.588 1.755 -6.926 1.00 0.00 C ATOM 328 O VAL A 21 -9.377 1.694 -6.003 1.00 0.00 O ATOM 329 CB VAL A 21 -6.365 0.630 -6.759 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.022 -0.690 -6.073 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.357 0.897 -7.877 1.00 0.00 C ATOM 0 H VAL A 21 -6.747 0.502 -9.220 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.260 -0.368 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.326 1.446 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.020 -0.630 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.741 -0.884 -5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.060 -1.499 -6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.355 0.967 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.390 0.081 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.606 1.834 -8.376 1.00 0.00 H new ATOM 341 N ARG A 22 -8.409 2.863 -7.590 1.00 0.00 N ATOM 342 CA ARG A 22 -9.179 4.086 -7.223 1.00 0.00 C ATOM 343 C ARG A 22 -10.654 3.723 -7.050 1.00 0.00 C ATOM 344 O ARG A 22 -11.265 4.005 -6.038 1.00 0.00 O ATOM 345 CB ARG A 22 -9.049 5.116 -8.343 1.00 0.00 C ATOM 346 CG ARG A 22 -8.114 6.243 -7.898 1.00 0.00 C ATOM 347 CD ARG A 22 -7.985 7.274 -9.020 1.00 0.00 C ATOM 348 NE ARG A 22 -8.806 6.843 -10.186 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.656 7.671 -10.728 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.781 7.940 -10.124 1.00 0.00 N ATOM 351 NH2 ARG A 22 -9.382 8.230 -11.875 1.00 0.00 N ATOM 0 H ARG A 22 -7.763 2.975 -8.371 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.789 4.498 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.660 4.641 -9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.029 5.521 -8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.503 6.718 -6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.133 5.838 -7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.316 8.252 -8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.941 7.378 -9.315 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.703 5.900 -10.561 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.996 7.503 -9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.445 8.587 -10.548 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.503 8.020 -12.348 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.047 8.877 -12.299 1.00 0.00 H new ATOM 365 N ASN A 23 -11.222 3.096 -8.038 1.00 0.00 N ATOM 366 CA ASN A 23 -12.642 2.697 -7.976 1.00 0.00 C ATOM 367 C ASN A 23 -12.821 1.598 -6.938 1.00 0.00 C ATOM 368 O ASN A 23 -13.589 1.719 -6.004 1.00 0.00 O ATOM 369 CB ASN A 23 -13.003 2.136 -9.336 1.00 0.00 C ATOM 370 CG ASN A 23 -14.324 2.737 -9.819 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.435 3.935 -9.986 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.339 1.950 -10.053 1.00 0.00 N ATOM 0 H ASN A 23 -10.746 2.840 -8.903 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.269 3.548 -7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.211 2.357 -10.051 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.087 1.051 -9.280 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.224 2.341 -10.376 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.247 0.944 -9.913 1.00 0.00 H new ATOM 379 N LEU A 24 -12.113 0.520 -7.123 1.00 0.00 N ATOM 380 CA LEU A 24 -12.203 -0.636 -6.186 1.00 0.00 C ATOM 381 C LEU A 24 -12.303 -0.124 -4.742 1.00 0.00 C ATOM 382 O LEU A 24 -13.241 -0.428 -4.032 1.00 0.00 O ATOM 383 CB LEU A 24 -10.936 -1.478 -6.360 1.00 0.00 C ATOM 384 CG LEU A 24 -11.120 -2.916 -5.823 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.673 -3.912 -6.894 1.00 0.00 C ATOM 386 CD2 LEU A 24 -10.266 -3.148 -4.572 1.00 0.00 C ATOM 0 H LEU A 24 -11.463 0.388 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.087 -1.237 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.668 -1.516 -7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.108 -0.999 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.172 -3.054 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.800 -4.928 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.276 -3.776 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.623 -3.742 -7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.414 -4.167 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.214 -2.998 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.562 -2.444 -3.794 1.00 0.00 H new ATOM 398 N LEU A 25 -11.354 0.665 -4.307 1.00 0.00 N ATOM 399 CA LEU A 25 -11.416 1.206 -2.916 1.00 0.00 C ATOM 400 C LEU A 25 -12.749 1.929 -2.729 1.00 0.00 C ATOM 401 O LEU A 25 -13.475 1.679 -1.787 1.00 0.00 O ATOM 402 CB LEU A 25 -10.264 2.191 -2.693 1.00 0.00 C ATOM 403 CG LEU A 25 -9.063 1.458 -2.090 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.775 2.191 -2.470 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.197 1.427 -0.564 1.00 0.00 C ATOM 0 H LEU A 25 -10.543 0.957 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.331 0.390 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.982 2.654 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.583 2.993 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.030 0.439 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.919 1.670 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.677 2.216 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.809 3.210 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.342 0.905 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.230 2.447 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.115 0.907 -0.290 1.00 0.00 H new ATOM 417 N LYS A 26 -13.081 2.823 -3.622 1.00 0.00 N ATOM 418 CA LYS A 26 -14.368 3.554 -3.498 1.00 0.00 C ATOM 419 C LYS A 26 -15.486 2.549 -3.221 1.00 0.00 C ATOM 420 O LYS A 26 -16.368 2.789 -2.420 1.00 0.00 O ATOM 421 CB LYS A 26 -14.662 4.304 -4.800 1.00 0.00 C ATOM 422 CG LYS A 26 -15.427 5.594 -4.488 1.00 0.00 C ATOM 423 CD LYS A 26 -15.724 6.342 -5.790 1.00 0.00 C ATOM 424 CE LYS A 26 -16.974 7.206 -5.610 1.00 0.00 C ATOM 425 NZ LYS A 26 -16.933 7.873 -4.278 1.00 0.00 N ATOM 0 H LYS A 26 -12.514 3.076 -4.431 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.306 4.271 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.730 4.537 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.248 3.675 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.357 5.361 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.840 6.225 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.874 6.967 -6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.874 5.632 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.028 7.954 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.869 6.590 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.504 8.742 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.317 7.230 -3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.949 8.113 -4.040 1.00 0.00 H new ATOM 439 N GLU A 27 -15.450 1.421 -3.875 1.00 0.00 N ATOM 440 CA GLU A 27 -16.501 0.397 -3.651 1.00 0.00 C ATOM 441 C GLU A 27 -16.488 -0.028 -2.182 1.00 0.00 C ATOM 442 O GLU A 27 -17.512 -0.325 -1.601 1.00 0.00 O ATOM 443 CB GLU A 27 -16.227 -0.819 -4.538 1.00 0.00 C ATOM 444 CG GLU A 27 -17.543 -1.322 -5.136 1.00 0.00 C ATOM 445 CD GLU A 27 -17.277 -2.580 -5.965 1.00 0.00 C ATOM 446 OE1 GLU A 27 -16.267 -2.613 -6.647 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.089 -3.489 -5.903 1.00 0.00 O ATOM 0 H GLU A 27 -14.735 1.166 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.476 0.814 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.532 -0.552 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.755 -1.609 -3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.256 -1.541 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.990 -0.549 -5.761 1.00 0.00 H new ATOM 454 N LEU A 28 -15.331 -0.060 -1.580 1.00 0.00 N ATOM 455 CA LEU A 28 -15.244 -0.466 -0.149 1.00 0.00 C ATOM 456 C LEU A 28 -15.604 0.725 0.740 1.00 0.00 C ATOM 457 O LEU A 28 -15.536 0.651 1.951 1.00 0.00 O ATOM 458 CB LEU A 28 -13.815 -0.924 0.165 1.00 0.00 C ATOM 459 CG LEU A 28 -13.767 -2.451 0.292 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.560 -2.898 1.523 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.370 -3.088 -0.963 1.00 0.00 C ATOM 0 H LEU A 28 -14.441 0.178 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.938 -1.285 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.138 -0.595 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.472 -0.463 1.092 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.730 -2.768 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.521 -3.984 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.127 -2.450 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.597 -2.579 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.336 -4.174 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.405 -2.766 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.799 -2.779 -1.838 1.00 0.00 H new ATOM 473 N GLY A 29 -15.997 1.821 0.151 1.00 0.00 N ATOM 474 CA GLY A 29 -16.370 3.007 0.958 1.00 0.00 C ATOM 475 C GLY A 29 -15.119 3.806 1.332 1.00 0.00 C ATOM 476 O GLY A 29 -14.801 3.961 2.490 1.00 0.00 O ATOM 0 H GLY A 29 -16.075 1.942 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.058 3.637 0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.893 2.692 1.861 1.00 0.00 H new ATOM 480 N PHE A 30 -14.415 4.325 0.362 1.00 0.00 N ATOM 481 CA PHE A 30 -13.194 5.129 0.673 1.00 0.00 C ATOM 482 C PHE A 30 -13.087 6.285 -0.327 1.00 0.00 C ATOM 483 O PHE A 30 -13.130 6.082 -1.524 1.00 0.00 O ATOM 484 CB PHE A 30 -11.941 4.246 0.581 1.00 0.00 C ATOM 485 CG PHE A 30 -11.821 3.401 1.825 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.587 4.013 3.058 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.937 2.007 1.744 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.468 3.235 4.215 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.820 1.228 2.902 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.585 1.842 4.137 1.00 0.00 C ATOM 0 H PHE A 30 -14.630 4.228 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.270 5.524 1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.999 3.607 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.054 4.868 0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.498 5.088 3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.116 1.534 0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.286 3.709 5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.911 0.154 2.842 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.494 1.242 5.030 1.00 0.00 H new ATOM 500 N ASN A 31 -12.959 7.495 0.161 1.00 0.00 N ATOM 501 CA ASN A 31 -12.860 8.674 -0.753 1.00 0.00 C ATOM 502 C ASN A 31 -11.714 9.585 -0.303 1.00 0.00 C ATOM 503 O ASN A 31 -11.924 10.712 0.100 1.00 0.00 O ATOM 504 CB ASN A 31 -14.175 9.456 -0.715 1.00 0.00 C ATOM 505 CG ASN A 31 -14.237 10.414 -1.906 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.399 11.605 -1.735 1.00 0.00 O ATOM 507 ND2 ASN A 31 -14.113 9.939 -3.116 1.00 0.00 N ATOM 0 H ASN A 31 -12.919 7.717 1.156 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.667 8.328 -1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.020 8.768 -0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.251 10.014 0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.152 10.569 -3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.977 8.938 -3.260 1.00 0.00 H new ATOM 514 N ASN A 32 -10.504 9.105 -0.378 1.00 0.00 N ATOM 515 CA ASN A 32 -9.336 9.936 0.035 1.00 0.00 C ATOM 516 C ASN A 32 -8.051 9.196 -0.334 1.00 0.00 C ATOM 517 O ASN A 32 -7.525 8.427 0.445 1.00 0.00 O ATOM 518 CB ASN A 32 -9.374 10.170 1.546 1.00 0.00 C ATOM 519 CG ASN A 32 -8.483 11.363 1.897 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.476 11.592 1.257 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.814 12.139 2.892 1.00 0.00 N ATOM 0 H ASN A 32 -10.272 8.169 -0.709 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.372 10.899 -0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.397 10.358 1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.032 9.279 2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.227 12.938 3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.659 11.947 3.429 1.00 0.00 H new ATOM 528 N VAL A 33 -7.554 9.411 -1.525 1.00 0.00 N ATOM 529 CA VAL A 33 -6.312 8.707 -1.963 1.00 0.00 C ATOM 530 C VAL A 33 -5.372 9.692 -2.658 1.00 0.00 C ATOM 531 O VAL A 33 -5.811 10.644 -3.273 1.00 0.00 O ATOM 532 CB VAL A 33 -6.696 7.600 -2.953 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.447 6.847 -3.417 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.657 6.620 -2.278 1.00 0.00 C ATOM 0 H VAL A 33 -7.956 10.046 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.809 8.283 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.180 8.054 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.734 6.064 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.764 7.541 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.952 6.398 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.929 5.834 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.173 6.176 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.555 7.151 -1.962 1.00 0.00 H new ATOM 544 N GLU A 34 -4.082 9.450 -2.585 1.00 0.00 N ATOM 545 CA GLU A 34 -3.108 10.346 -3.263 1.00 0.00 C ATOM 546 C GLU A 34 -2.347 9.508 -4.286 1.00 0.00 C ATOM 547 O GLU A 34 -2.642 8.345 -4.470 1.00 0.00 O ATOM 548 CB GLU A 34 -2.154 10.938 -2.226 1.00 0.00 C ATOM 549 CG GLU A 34 -2.654 12.327 -1.819 1.00 0.00 C ATOM 550 CD GLU A 34 -2.188 13.358 -2.849 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.096 13.878 -2.685 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.929 13.609 -3.785 1.00 0.00 O ATOM 0 H GLU A 34 -3.668 8.666 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.613 11.172 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.098 10.288 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.147 11.007 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.742 12.329 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.274 12.587 -0.831 1.00 0.00 H new ATOM 559 N GLU A 35 -1.392 10.071 -4.969 1.00 0.00 N ATOM 560 CA GLU A 35 -0.662 9.263 -5.986 1.00 0.00 C ATOM 561 C GLU A 35 0.775 9.751 -6.136 1.00 0.00 C ATOM 562 O GLU A 35 1.095 10.894 -5.872 1.00 0.00 O ATOM 563 CB GLU A 35 -1.378 9.383 -7.334 1.00 0.00 C ATOM 564 CG GLU A 35 -0.994 8.204 -8.232 1.00 0.00 C ATOM 565 CD GLU A 35 -0.822 8.694 -9.671 1.00 0.00 C ATOM 566 OE1 GLU A 35 -1.729 9.341 -10.168 1.00 0.00 O ATOM 567 OE2 GLU A 35 0.214 8.413 -10.252 1.00 0.00 O ATOM 0 H GLU A 35 -1.088 11.040 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.645 8.223 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.457 9.400 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.109 10.322 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.068 7.750 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.764 7.434 -8.188 1.00 0.00 H new ATOM 574 N ALA A 36 1.637 8.882 -6.577 1.00 0.00 N ATOM 575 CA ALA A 36 3.061 9.258 -6.779 1.00 0.00 C ATOM 576 C ALA A 36 3.595 8.473 -7.973 1.00 0.00 C ATOM 577 O ALA A 36 2.835 7.913 -8.739 1.00 0.00 O ATOM 578 CB ALA A 36 3.867 8.918 -5.526 1.00 0.00 C ATOM 0 H ALA A 36 1.413 7.914 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 36 3.148 10.328 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.910 9.195 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.466 9.468 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.801 7.848 -5.330 1.00 0.00 H new ATOM 584 N GLU A 37 4.887 8.431 -8.144 1.00 0.00 N ATOM 585 CA GLU A 37 5.461 7.683 -9.302 1.00 0.00 C ATOM 586 C GLU A 37 6.684 6.876 -8.861 1.00 0.00 C ATOM 587 O GLU A 37 7.243 6.121 -9.631 1.00 0.00 O ATOM 588 CB GLU A 37 5.878 8.672 -10.391 1.00 0.00 C ATOM 589 CG GLU A 37 4.701 9.590 -10.731 1.00 0.00 C ATOM 590 CD GLU A 37 4.796 10.016 -12.198 1.00 0.00 C ATOM 591 OE1 GLU A 37 5.904 10.084 -12.704 1.00 0.00 O ATOM 592 OE2 GLU A 37 3.759 10.266 -12.790 1.00 0.00 O ATOM 0 H GLU A 37 5.570 8.880 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 37 4.704 7.000 -9.689 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.728 9.264 -10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.200 8.133 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.758 9.073 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.711 10.468 -10.085 1.00 0.00 H new ATOM 599 N ASP A 38 7.111 7.017 -7.634 1.00 0.00 N ATOM 600 CA ASP A 38 8.300 6.241 -7.179 1.00 0.00 C ATOM 601 C ASP A 38 8.563 6.520 -5.700 1.00 0.00 C ATOM 602 O ASP A 38 7.832 7.244 -5.054 1.00 0.00 O ATOM 603 CB ASP A 38 9.531 6.639 -8.003 1.00 0.00 C ATOM 604 CG ASP A 38 9.309 8.011 -8.644 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.616 9.000 -8.001 1.00 0.00 O ATOM 606 OD2 ASP A 38 8.840 8.049 -9.770 1.00 0.00 O ATOM 0 H ASP A 38 6.693 7.630 -6.934 1.00 0.00 H new ATOM 0 HA ASP A 38 8.104 5.178 -7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.414 6.665 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.719 5.893 -8.776 1.00 0.00 H new ATOM 611 N GLY A 39 9.601 5.945 -5.158 1.00 0.00 N ATOM 612 CA GLY A 39 9.910 6.169 -3.719 1.00 0.00 C ATOM 613 C GLY A 39 10.234 7.643 -3.482 1.00 0.00 C ATOM 614 O GLY A 39 9.661 8.280 -2.623 1.00 0.00 O ATOM 0 H GLY A 39 10.248 5.330 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.061 5.871 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.754 5.549 -3.418 1.00 0.00 H new ATOM 618 N VAL A 40 11.142 8.196 -4.236 1.00 0.00 N ATOM 619 CA VAL A 40 11.480 9.631 -4.039 1.00 0.00 C ATOM 620 C VAL A 40 10.186 10.441 -4.059 1.00 0.00 C ATOM 621 O VAL A 40 10.053 11.448 -3.390 1.00 0.00 O ATOM 622 CB VAL A 40 12.406 10.102 -5.163 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.746 9.831 -6.516 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.665 11.603 -5.014 1.00 0.00 C ATOM 0 H VAL A 40 11.661 7.720 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 40 11.989 9.768 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 40 13.351 9.562 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.406 10.167 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.560 8.762 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.801 10.371 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.324 11.940 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.720 12.143 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.136 11.797 -4.050 1.00 0.00 H new ATOM 634 N ASP A 41 9.221 9.995 -4.817 1.00 0.00 N ATOM 635 CA ASP A 41 7.927 10.718 -4.884 1.00 0.00 C ATOM 636 C ASP A 41 7.143 10.460 -3.600 1.00 0.00 C ATOM 637 O ASP A 41 6.629 11.370 -2.981 1.00 0.00 O ATOM 638 CB ASP A 41 7.132 10.201 -6.079 1.00 0.00 C ATOM 639 CG ASP A 41 6.113 11.256 -6.512 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.914 12.201 -5.765 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.548 11.102 -7.582 1.00 0.00 O ATOM 0 H ASP A 41 9.278 9.156 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 41 8.102 11.788 -4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.805 9.971 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.622 9.274 -5.816 1.00 0.00 H new ATOM 646 N ALA A 42 7.051 9.224 -3.189 1.00 0.00 N ATOM 647 CA ALA A 42 6.304 8.914 -1.944 1.00 0.00 C ATOM 648 C ALA A 42 6.934 9.670 -0.773 1.00 0.00 C ATOM 649 O ALA A 42 6.255 10.298 0.006 1.00 0.00 O ATOM 650 CB ALA A 42 6.378 7.414 -1.675 1.00 0.00 C ATOM 0 H ALA A 42 7.461 8.419 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 42 5.263 9.217 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.831 7.181 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.936 6.872 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.420 7.116 -1.560 1.00 0.00 H new ATOM 656 N LEU A 43 8.230 9.608 -0.641 1.00 0.00 N ATOM 657 CA LEU A 43 8.904 10.317 0.485 1.00 0.00 C ATOM 658 C LEU A 43 8.546 11.807 0.454 1.00 0.00 C ATOM 659 O LEU A 43 8.334 12.422 1.480 1.00 0.00 O ATOM 660 CB LEU A 43 10.425 10.157 0.345 1.00 0.00 C ATOM 661 CG LEU A 43 11.094 10.075 1.727 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.699 11.289 2.571 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.666 8.790 2.449 1.00 0.00 C ATOM 0 H LEU A 43 8.853 9.096 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 43 8.571 9.889 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.650 9.257 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.834 10.999 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 43 12.175 10.065 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.177 11.224 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.022 12.201 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.616 11.308 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.147 8.744 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.584 8.788 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.963 7.924 1.858 1.00 0.00 H new ATOM 675 N ASN A 44 8.492 12.398 -0.709 1.00 0.00 N ATOM 676 CA ASN A 44 8.164 13.852 -0.787 1.00 0.00 C ATOM 677 C ASN A 44 6.648 14.067 -0.702 1.00 0.00 C ATOM 678 O ASN A 44 6.187 15.121 -0.310 1.00 0.00 O ATOM 679 CB ASN A 44 8.679 14.414 -2.114 1.00 0.00 C ATOM 680 CG ASN A 44 10.007 15.139 -1.885 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.137 15.915 -0.960 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.005 14.918 -2.697 1.00 0.00 N ATOM 0 H ASN A 44 8.660 11.940 -1.605 1.00 0.00 H new ATOM 0 HA ASN A 44 8.640 14.366 0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.813 13.607 -2.834 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.947 15.101 -2.538 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.894 15.397 -2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.896 14.266 -3.474 1.00 0.00 H new ATOM 689 N LYS A 45 5.868 13.094 -1.085 1.00 0.00 N ATOM 690 CA LYS A 45 4.385 13.272 -1.044 1.00 0.00 C ATOM 691 C LYS A 45 3.801 12.827 0.304 1.00 0.00 C ATOM 692 O LYS A 45 2.730 13.257 0.684 1.00 0.00 O ATOM 693 CB LYS A 45 3.742 12.449 -2.163 1.00 0.00 C ATOM 694 CG LYS A 45 3.596 13.308 -3.424 1.00 0.00 C ATOM 695 CD LYS A 45 2.272 14.074 -3.373 1.00 0.00 C ATOM 696 CE LYS A 45 2.193 15.037 -4.559 1.00 0.00 C ATOM 697 NZ LYS A 45 2.829 16.333 -4.190 1.00 0.00 N ATOM 0 H LYS A 45 6.189 12.187 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 45 4.170 14.332 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.353 11.572 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.765 12.086 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.429 14.007 -3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.629 12.677 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.435 13.376 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.195 14.627 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.696 14.606 -5.425 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.153 15.198 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.775 16.988 -4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.330 16.745 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.826 16.172 -3.940 1.00 0.00 H new ATOM 711 N LEU A 46 4.463 11.961 1.026 1.00 0.00 N ATOM 712 CA LEU A 46 3.878 11.511 2.324 1.00 0.00 C ATOM 713 C LEU A 46 4.135 12.553 3.407 1.00 0.00 C ATOM 714 O LEU A 46 3.471 12.570 4.424 1.00 0.00 O ATOM 715 CB LEU A 46 4.454 10.145 2.739 1.00 0.00 C ATOM 716 CG LEU A 46 3.324 9.099 2.717 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.882 7.682 2.740 1.00 0.00 C ATOM 718 CD2 LEU A 46 2.392 9.290 3.923 1.00 0.00 C ATOM 0 H LEU A 46 5.365 11.553 0.780 1.00 0.00 H new ATOM 0 HA LEU A 46 2.801 11.399 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.253 9.851 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.891 10.207 3.736 1.00 0.00 H new ATOM 0 HG LEU A 46 2.764 9.243 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.060 6.967 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.516 7.526 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.471 7.537 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.599 8.543 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.962 9.176 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.953 10.287 3.889 1.00 0.00 H new ATOM 730 N GLN A 47 5.057 13.448 3.197 1.00 0.00 N ATOM 731 CA GLN A 47 5.284 14.495 4.226 1.00 0.00 C ATOM 732 C GLN A 47 3.986 15.290 4.352 1.00 0.00 C ATOM 733 O GLN A 47 3.840 16.151 5.197 1.00 0.00 O ATOM 734 CB GLN A 47 6.423 15.423 3.794 1.00 0.00 C ATOM 735 CG GLN A 47 6.432 15.551 2.270 1.00 0.00 C ATOM 736 CD GLN A 47 7.001 16.916 1.877 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.167 17.183 2.085 1.00 0.00 O ATOM 738 NE2 GLN A 47 6.220 17.798 1.315 1.00 0.00 N ATOM 0 H GLN A 47 5.654 13.500 2.372 1.00 0.00 H new ATOM 0 HA GLN A 47 5.561 14.045 5.179 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.298 16.405 4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.378 15.029 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.033 14.754 1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.421 15.440 1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.240 17.574 1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.589 18.711 1.051 1.00 0.00 H new ATOM 747 N ALA A 48 3.042 14.993 3.497 1.00 0.00 N ATOM 748 CA ALA A 48 1.738 15.701 3.521 1.00 0.00 C ATOM 749 C ALA A 48 1.139 15.648 4.928 1.00 0.00 C ATOM 750 O ALA A 48 1.181 16.619 5.657 1.00 0.00 O ATOM 751 CB ALA A 48 0.784 15.031 2.530 1.00 0.00 C ATOM 0 H ALA A 48 3.126 14.278 2.774 1.00 0.00 H new ATOM 0 HA ALA A 48 1.888 16.744 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.176 15.547 2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.208 15.080 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.639 13.988 2.813 1.00 0.00 H new ATOM 757 N GLY A 49 0.571 14.531 5.318 1.00 0.00 N ATOM 758 CA GLY A 49 -0.032 14.454 6.683 1.00 0.00 C ATOM 759 C GLY A 49 0.135 13.049 7.263 1.00 0.00 C ATOM 760 O GLY A 49 -0.463 12.712 8.266 1.00 0.00 O ATOM 0 H GLY A 49 0.500 13.682 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.443 15.184 7.339 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.090 14.711 6.635 1.00 0.00 H new ATOM 764 N GLY A 50 0.935 12.222 6.650 1.00 0.00 N ATOM 765 CA GLY A 50 1.118 10.845 7.187 1.00 0.00 C ATOM 766 C GLY A 50 -0.128 10.022 6.871 1.00 0.00 C ATOM 767 O GLY A 50 -1.044 9.929 7.664 1.00 0.00 O ATOM 0 H GLY A 50 1.467 12.438 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.999 10.381 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.284 10.879 8.264 1.00 0.00 H new ATOM 771 N TYR A 51 -0.173 9.434 5.711 1.00 0.00 N ATOM 772 CA TYR A 51 -1.358 8.629 5.324 1.00 0.00 C ATOM 773 C TYR A 51 -1.580 7.494 6.321 1.00 0.00 C ATOM 774 O TYR A 51 -0.675 7.059 7.006 1.00 0.00 O ATOM 775 CB TYR A 51 -1.120 8.021 3.940 1.00 0.00 C ATOM 776 CG TYR A 51 -0.876 9.089 2.888 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.702 10.222 2.784 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.179 8.927 1.992 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.461 11.178 1.794 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.414 9.887 0.997 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.404 11.010 0.901 1.00 0.00 C ATOM 782 OH TYR A 51 -0.161 11.956 -0.073 1.00 0.00 O ATOM 0 H TYR A 51 0.567 9.478 5.010 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.234 9.277 5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.263 7.349 3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.983 7.420 3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.525 10.354 3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.818 8.059 2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.095 12.049 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.231 9.755 0.304 1.00 0.00 H new ATOM 0 HH TYR A 51 0.709 12.377 0.090 1.00 0.00 H new ATOM 792 N GLY A 52 -2.786 7.000 6.384 1.00 0.00 N ATOM 793 CA GLY A 52 -3.090 5.876 7.307 1.00 0.00 C ATOM 794 C GLY A 52 -2.897 4.567 6.550 1.00 0.00 C ATOM 795 O GLY A 52 -2.929 3.494 7.117 1.00 0.00 O ATOM 0 H GLY A 52 -3.577 7.330 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.434 5.911 8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.113 5.954 7.676 1.00 0.00 H new ATOM 799 N PHE A 53 -2.709 4.656 5.261 1.00 0.00 N ATOM 800 CA PHE A 53 -2.528 3.431 4.439 1.00 0.00 C ATOM 801 C PHE A 53 -1.688 3.775 3.202 1.00 0.00 C ATOM 802 O PHE A 53 -1.847 4.826 2.610 1.00 0.00 O ATOM 803 CB PHE A 53 -3.908 2.959 3.998 1.00 0.00 C ATOM 804 CG PHE A 53 -4.104 1.497 4.311 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.359 1.082 5.621 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.075 0.559 3.280 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.587 -0.265 5.892 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.299 -0.786 3.547 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.559 -1.205 4.855 1.00 0.00 C ATOM 0 H PHE A 53 -2.673 5.533 4.741 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.022 2.653 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.675 3.548 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.028 3.125 2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.379 1.805 6.423 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.877 0.880 2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.786 -0.585 6.904 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.272 -1.508 2.744 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.737 -2.249 5.065 1.00 0.00 H new ATOM 819 N VAL A 54 -0.793 2.909 2.806 1.00 0.00 N ATOM 820 CA VAL A 54 0.045 3.212 1.604 1.00 0.00 C ATOM 821 C VAL A 54 0.128 1.984 0.696 1.00 0.00 C ATOM 822 O VAL A 54 0.592 0.930 1.088 1.00 0.00 O ATOM 823 CB VAL A 54 1.449 3.630 2.046 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.232 4.144 0.836 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.342 4.745 3.091 1.00 0.00 C ATOM 0 H VAL A 54 -0.605 2.013 3.256 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.414 4.029 1.048 1.00 0.00 H new ATOM 0 HB VAL A 54 1.965 2.772 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.232 4.442 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.306 3.354 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.716 5.002 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.341 5.044 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.827 5.602 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.782 4.383 3.953 1.00 0.00 H new ATOM 835 N ILE A 55 -0.321 2.129 -0.523 1.00 0.00 N ATOM 836 CA ILE A 55 -0.280 1.000 -1.495 1.00 0.00 C ATOM 837 C ILE A 55 0.865 1.246 -2.482 1.00 0.00 C ATOM 838 O ILE A 55 0.970 2.306 -3.067 1.00 0.00 O ATOM 839 CB ILE A 55 -1.608 0.949 -2.259 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.768 0.894 -1.261 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.648 -0.295 -3.148 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.092 0.785 -2.022 1.00 0.00 C ATOM 0 H ILE A 55 -0.719 2.993 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.124 0.057 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.698 1.840 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.648 0.040 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.768 1.788 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.594 -0.326 -3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.824 -0.260 -3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.554 -1.188 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.918 0.746 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.212 1.653 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.090 -0.122 -2.627 1.00 0.00 H new ATOM 854 N SER A 56 1.727 0.284 -2.671 1.00 0.00 N ATOM 855 CA SER A 56 2.862 0.479 -3.620 1.00 0.00 C ATOM 856 C SER A 56 3.195 -0.849 -4.305 1.00 0.00 C ATOM 857 O SER A 56 3.063 -1.908 -3.725 1.00 0.00 O ATOM 858 CB SER A 56 4.087 0.978 -2.853 1.00 0.00 C ATOM 859 OG SER A 56 4.629 -0.091 -2.089 1.00 0.00 O ATOM 0 H SER A 56 1.695 -0.626 -2.211 1.00 0.00 H new ATOM 0 HA SER A 56 2.580 1.213 -4.374 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.835 1.360 -3.548 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.809 1.804 -2.198 1.00 0.00 H new ATOM 0 HG SER A 56 5.416 0.224 -1.597 1.00 0.00 H new ATOM 865 N ASP A 57 3.627 -0.799 -5.537 1.00 0.00 N ATOM 866 CA ASP A 57 3.970 -2.058 -6.258 1.00 0.00 C ATOM 867 C ASP A 57 5.147 -2.740 -5.558 1.00 0.00 C ATOM 868 O ASP A 57 5.076 -3.074 -4.392 1.00 0.00 O ATOM 869 CB ASP A 57 4.353 -1.728 -7.703 1.00 0.00 C ATOM 870 CG ASP A 57 4.442 -3.021 -8.515 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.427 -3.431 -9.052 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.525 -3.580 -8.587 1.00 0.00 O ATOM 0 H ASP A 57 3.757 0.058 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 57 3.110 -2.727 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.613 -1.060 -8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.309 -1.205 -7.727 1.00 0.00 H new ATOM 877 N TRP A 58 6.231 -2.948 -6.255 1.00 0.00 N ATOM 878 CA TRP A 58 7.406 -3.607 -5.619 1.00 0.00 C ATOM 879 C TRP A 58 8.663 -3.340 -6.451 1.00 0.00 C ATOM 880 O TRP A 58 9.762 -3.304 -5.933 1.00 0.00 O ATOM 881 CB TRP A 58 7.165 -5.116 -5.532 1.00 0.00 C ATOM 882 CG TRP A 58 8.275 -5.746 -4.754 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.397 -6.279 -5.290 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.392 -5.912 -3.311 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.195 -6.761 -4.268 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.619 -6.558 -3.030 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.560 -5.568 -2.231 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.007 -6.852 -1.721 1.00 0.00 C ATOM 889 CZ3 TRP A 58 7.948 -5.862 -0.913 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.169 -6.503 -0.660 1.00 0.00 C ATOM 0 H TRP A 58 6.353 -2.691 -7.234 1.00 0.00 H new ATOM 0 HA TRP A 58 7.543 -3.202 -4.616 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.208 -5.316 -5.051 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.115 -5.547 -6.532 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.631 -6.321 -6.343 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.099 -7.211 -4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.617 -5.075 -2.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 10.948 -7.346 -1.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.302 -5.593 -0.090 1.00 0.00 H new ATOM 0 HH2 TRP A 58 9.461 -6.727 0.355 1.00 0.00 H new ATOM 901 N ASN A 59 8.516 -3.152 -7.734 1.00 0.00 N ATOM 902 CA ASN A 59 9.711 -2.889 -8.585 1.00 0.00 C ATOM 903 C ASN A 59 9.267 -2.380 -9.957 1.00 0.00 C ATOM 904 O ASN A 59 9.884 -2.666 -10.964 1.00 0.00 O ATOM 905 CB ASN A 59 10.510 -4.182 -8.757 1.00 0.00 C ATOM 906 CG ASN A 59 9.724 -5.155 -9.640 1.00 0.00 C ATOM 907 OD1 ASN A 59 9.831 -5.118 -10.849 1.00 0.00 O ATOM 908 ND2 ASN A 59 8.935 -6.031 -9.081 1.00 0.00 N ATOM 0 H ASN A 59 7.624 -3.169 -8.228 1.00 0.00 H new ATOM 0 HA ASN A 59 10.335 -2.135 -8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.478 -3.966 -9.208 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.705 -4.634 -7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.408 -6.685 -9.660 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.845 -6.062 -8.065 1.00 0.00 H new ATOM 915 N MET A 60 8.205 -1.623 -10.007 1.00 0.00 N ATOM 916 CA MET A 60 7.730 -1.096 -11.315 1.00 0.00 C ATOM 917 C MET A 60 8.391 0.260 -11.644 1.00 0.00 C ATOM 918 O MET A 60 8.682 0.512 -12.796 1.00 0.00 O ATOM 919 CB MET A 60 6.200 -0.937 -11.290 1.00 0.00 C ATOM 920 CG MET A 60 5.613 -1.115 -12.699 1.00 0.00 C ATOM 921 SD MET A 60 4.858 -2.758 -12.843 1.00 0.00 S ATOM 922 CE MET A 60 6.380 -3.725 -13.016 1.00 0.00 C ATOM 0 H MET A 60 7.647 -1.348 -9.199 1.00 0.00 H new ATOM 0 HA MET A 60 8.011 -1.809 -12.090 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.764 -1.672 -10.613 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.938 0.048 -10.903 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.868 -0.343 -12.893 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.397 -0.997 -13.448 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.141 -4.711 -13.415 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.061 -3.214 -13.697 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.855 -3.833 -12.041 1.00 0.00 H new ATOM 932 N PRO A 61 8.607 1.115 -10.654 1.00 0.00 N ATOM 933 CA PRO A 61 9.221 2.432 -10.912 1.00 0.00 C ATOM 934 C PRO A 61 10.687 2.260 -11.318 1.00 0.00 C ATOM 935 O PRO A 61 11.056 2.471 -12.456 1.00 0.00 O ATOM 936 CB PRO A 61 9.118 3.187 -9.580 1.00 0.00 C ATOM 937 CG PRO A 61 8.430 2.246 -8.560 1.00 0.00 C ATOM 938 CD PRO A 61 8.274 0.873 -9.232 1.00 0.00 C ATOM 0 HA PRO A 61 8.726 2.967 -11.723 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.108 3.477 -9.227 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.542 4.104 -9.703 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.027 2.163 -7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.458 2.643 -8.267 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.943 0.136 -8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.259 0.490 -9.122 1.00 0.00 H new ATOM 946 N ASN A 62 11.526 1.878 -10.393 1.00 0.00 N ATOM 947 CA ASN A 62 12.967 1.693 -10.722 1.00 0.00 C ATOM 948 C ASN A 62 13.588 0.695 -9.742 1.00 0.00 C ATOM 949 O ASN A 62 13.742 -0.472 -10.044 1.00 0.00 O ATOM 950 CB ASN A 62 13.689 3.038 -10.609 1.00 0.00 C ATOM 951 CG ASN A 62 12.812 4.023 -9.835 1.00 0.00 C ATOM 952 OD1 ASN A 62 12.518 3.775 -8.588 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 12.388 5.028 -10.371 1.00 0.00 N flip ATOM 0 H ASN A 62 11.275 1.686 -9.423 1.00 0.00 H new ATOM 0 HA ASN A 62 13.065 1.312 -11.738 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.645 2.908 -10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.907 3.431 -11.602 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.618 5.222 -11.346 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.802 5.678 -9.846 1.00 0.00 H new ATOM 960 N MET A 63 13.945 1.144 -8.570 1.00 0.00 N ATOM 961 CA MET A 63 14.554 0.219 -7.571 1.00 0.00 C ATOM 962 C MET A 63 13.459 -0.655 -6.958 1.00 0.00 C ATOM 963 O MET A 63 12.857 -1.470 -7.628 1.00 0.00 O ATOM 964 CB MET A 63 15.233 1.035 -6.469 1.00 0.00 C ATOM 965 CG MET A 63 16.257 1.983 -7.095 1.00 0.00 C ATOM 966 SD MET A 63 15.464 3.567 -7.473 1.00 0.00 S ATOM 967 CE MET A 63 15.621 4.303 -5.827 1.00 0.00 C ATOM 0 H MET A 63 13.842 2.110 -8.261 1.00 0.00 H new ATOM 0 HA MET A 63 15.294 -0.414 -8.062 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.489 1.603 -5.911 1.00 0.00 H new ATOM 0 HB3 MET A 63 15.724 0.370 -5.759 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.092 2.136 -6.411 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.667 1.543 -8.004 1.00 0.00 H new ATOM 0 HE1 MET A 63 14.857 5.069 -5.697 1.00 0.00 H new ATOM 0 HE2 MET A 63 15.493 3.530 -5.069 1.00 0.00 H new ATOM 0 HE3 MET A 63 16.608 4.754 -5.723 1.00 0.00 H new ATOM 977 N ASP A 64 13.196 -0.489 -5.689 1.00 0.00 N ATOM 978 CA ASP A 64 12.139 -1.304 -5.029 1.00 0.00 C ATOM 979 C ASP A 64 11.389 -0.421 -4.024 1.00 0.00 C ATOM 980 O ASP A 64 11.663 0.758 -3.910 1.00 0.00 O ATOM 981 CB ASP A 64 12.789 -2.497 -4.324 1.00 0.00 C ATOM 982 CG ASP A 64 12.635 -2.354 -2.814 1.00 0.00 C ATOM 983 OD1 ASP A 64 13.105 -1.362 -2.282 1.00 0.00 O ATOM 984 OD2 ASP A 64 12.046 -3.240 -2.216 1.00 0.00 O ATOM 0 H ASP A 64 13.670 0.178 -5.081 1.00 0.00 H new ATOM 0 HA ASP A 64 11.431 -1.681 -5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.326 -3.425 -4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.845 -2.555 -4.587 1.00 0.00 H new ATOM 989 N GLY A 65 10.434 -0.963 -3.312 1.00 0.00 N ATOM 990 CA GLY A 65 9.665 -0.123 -2.345 1.00 0.00 C ATOM 991 C GLY A 65 10.268 -0.199 -0.933 1.00 0.00 C ATOM 992 O GLY A 65 9.985 0.633 -0.096 1.00 0.00 O ATOM 0 H GLY A 65 10.155 -1.943 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.659 0.913 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.627 -0.455 -2.317 1.00 0.00 H new ATOM 996 N LEU A 66 11.078 -1.187 -0.646 1.00 0.00 N ATOM 997 CA LEU A 66 11.663 -1.291 0.731 1.00 0.00 C ATOM 998 C LEU A 66 12.203 0.071 1.176 1.00 0.00 C ATOM 999 O LEU A 66 11.671 0.691 2.074 1.00 0.00 O ATOM 1000 CB LEU A 66 12.812 -2.309 0.748 1.00 0.00 C ATOM 1001 CG LEU A 66 12.373 -3.596 1.456 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.109 -3.315 2.939 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.097 -4.134 0.804 1.00 0.00 C ATOM 0 H LEU A 66 11.359 -1.921 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 66 10.877 -1.618 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.122 -2.535 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.677 -1.883 1.257 1.00 0.00 H new ATOM 0 HG LEU A 66 13.167 -4.337 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.798 -4.235 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.020 -2.942 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.321 -2.568 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.788 -5.049 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.305 -3.389 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.288 -4.348 -0.248 1.00 0.00 H new ATOM 1015 N GLU A 67 13.262 0.534 0.562 1.00 0.00 N ATOM 1016 CA GLU A 67 13.845 1.854 0.954 1.00 0.00 C ATOM 1017 C GLU A 67 12.717 2.870 1.152 1.00 0.00 C ATOM 1018 O GLU A 67 12.723 3.651 2.083 1.00 0.00 O ATOM 1019 CB GLU A 67 14.791 2.333 -0.156 1.00 0.00 C ATOM 1020 CG GLU A 67 15.287 3.756 0.137 1.00 0.00 C ATOM 1021 CD GLU A 67 15.897 3.818 1.539 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.543 2.857 1.925 1.00 0.00 O ATOM 1023 OE2 GLU A 67 15.709 4.824 2.202 1.00 0.00 O ATOM 0 H GLU A 67 13.749 0.055 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 67 14.401 1.753 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.640 1.655 -0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.275 2.312 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.029 4.052 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.460 4.462 0.060 1.00 0.00 H new ATOM 1030 N LEU A 68 11.749 2.854 0.282 1.00 0.00 N ATOM 1031 CA LEU A 68 10.607 3.803 0.399 1.00 0.00 C ATOM 1032 C LEU A 68 9.856 3.524 1.705 1.00 0.00 C ATOM 1033 O LEU A 68 9.481 4.428 2.426 1.00 0.00 O ATOM 1034 CB LEU A 68 9.706 3.602 -0.835 1.00 0.00 C ATOM 1035 CG LEU A 68 8.212 3.531 -0.481 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.767 4.815 0.219 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.410 3.376 -1.776 1.00 0.00 C ATOM 0 H LEU A 68 11.699 2.218 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 68 10.943 4.839 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.870 4.421 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.997 2.684 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 68 8.043 2.685 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.707 4.748 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.342 4.948 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.934 5.666 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.347 3.324 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.597 4.232 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.714 2.462 -2.285 1.00 0.00 H new ATOM 1049 N LEU A 69 9.643 2.276 2.016 1.00 0.00 N ATOM 1050 CA LEU A 69 8.917 1.923 3.269 1.00 0.00 C ATOM 1051 C LEU A 69 9.883 1.945 4.453 1.00 0.00 C ATOM 1052 O LEU A 69 9.736 2.733 5.369 1.00 0.00 O ATOM 1053 CB LEU A 69 8.341 0.517 3.112 1.00 0.00 C ATOM 1054 CG LEU A 69 7.345 0.210 4.234 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.166 -0.526 3.629 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.977 -0.682 5.299 1.00 0.00 C ATOM 0 H LEU A 69 9.942 1.480 1.453 1.00 0.00 H new ATOM 0 HA LEU A 69 8.119 2.643 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.846 0.428 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.148 -0.215 3.125 1.00 0.00 H new ATOM 0 HG LEU A 69 7.037 1.145 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.441 -0.756 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.696 0.101 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.512 -1.452 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.248 -0.884 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.293 -1.622 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.842 -0.178 5.729 1.00 0.00 H new ATOM 1068 N LYS A 70 10.853 1.066 4.435 1.00 0.00 N ATOM 1069 CA LYS A 70 11.857 0.993 5.545 1.00 0.00 C ATOM 1070 C LYS A 70 12.126 2.393 6.106 1.00 0.00 C ATOM 1071 O LYS A 70 12.220 2.585 7.302 1.00 0.00 O ATOM 1072 CB LYS A 70 13.172 0.414 5.006 1.00 0.00 C ATOM 1073 CG LYS A 70 13.628 -0.774 5.865 1.00 0.00 C ATOM 1074 CD LYS A 70 14.042 -0.290 7.261 1.00 0.00 C ATOM 1075 CE LYS A 70 15.520 0.107 7.256 1.00 0.00 C ATOM 1076 NZ LYS A 70 15.755 1.147 8.298 1.00 0.00 N ATOM 0 H LYS A 70 10.995 0.386 3.689 1.00 0.00 H new ATOM 0 HA LYS A 70 11.462 0.355 6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.039 0.093 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.942 1.185 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.821 -1.502 5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.465 -1.280 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.429 0.561 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.870 -1.078 7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.143 -0.766 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.802 0.489 6.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.759 1.419 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.170 1.982 8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.500 0.767 9.232 1.00 0.00 H new ATOM 1090 N THR A 71 12.239 3.376 5.252 1.00 0.00 N ATOM 1091 CA THR A 71 12.486 4.760 5.746 1.00 0.00 C ATOM 1092 C THR A 71 11.341 5.161 6.675 1.00 0.00 C ATOM 1093 O THR A 71 11.554 5.651 7.766 1.00 0.00 O ATOM 1094 CB THR A 71 12.546 5.725 4.560 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.735 5.488 3.820 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.541 7.166 5.072 1.00 0.00 C ATOM 0 H THR A 71 12.171 3.280 4.239 1.00 0.00 H new ATOM 0 HA THR A 71 13.433 4.799 6.285 1.00 0.00 H new ATOM 0 HB THR A 71 11.680 5.567 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.577 4.776 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.584 7.853 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.629 7.347 5.641 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.407 7.327 5.714 1.00 0.00 H new ATOM 1104 N ILE A 72 10.126 4.944 6.253 1.00 0.00 N ATOM 1105 CA ILE A 72 8.964 5.297 7.113 1.00 0.00 C ATOM 1106 C ILE A 72 9.174 4.692 8.501 1.00 0.00 C ATOM 1107 O ILE A 72 8.969 5.337 9.510 1.00 0.00 O ATOM 1108 CB ILE A 72 7.682 4.724 6.503 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.554 5.180 5.045 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.474 5.221 7.299 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.357 4.485 4.388 1.00 0.00 C ATOM 0 H ILE A 72 9.888 4.537 5.348 1.00 0.00 H new ATOM 0 HA ILE A 72 8.877 6.381 7.187 1.00 0.00 H new ATOM 0 HB ILE A 72 7.721 3.635 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.427 6.262 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.468 4.945 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.560 4.814 6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.561 4.894 8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.438 6.310 7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.270 4.812 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.503 3.405 4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.446 4.743 4.928 1.00 0.00 H new ATOM 1123 N ARG A 73 9.584 3.454 8.556 1.00 0.00 N ATOM 1124 CA ARG A 73 9.810 2.801 9.878 1.00 0.00 C ATOM 1125 C ARG A 73 10.968 3.497 10.597 1.00 0.00 C ATOM 1126 O ARG A 73 10.936 3.694 11.796 1.00 0.00 O ATOM 1127 CB ARG A 73 10.153 1.323 9.667 1.00 0.00 C ATOM 1128 CG ARG A 73 10.973 0.807 10.855 1.00 0.00 C ATOM 1129 CD ARG A 73 10.910 -0.720 10.894 1.00 0.00 C ATOM 1130 NE ARG A 73 12.205 -1.258 11.400 1.00 0.00 N ATOM 1131 CZ ARG A 73 12.222 -2.331 12.145 1.00 0.00 C ATOM 1132 NH1 ARG A 73 11.995 -3.500 11.611 1.00 0.00 N ATOM 1133 NH2 ARG A 73 12.469 -2.234 13.422 1.00 0.00 N ATOM 0 H ARG A 73 9.772 2.867 7.744 1.00 0.00 H new ATOM 0 HA ARG A 73 8.906 2.880 10.482 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.239 0.739 9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.717 1.199 8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.008 1.137 10.766 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.585 1.221 11.786 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.093 -1.045 11.538 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.706 -1.112 9.898 1.00 0.00 H new ATOM 0 HE ARG A 73 13.079 -0.788 11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.804 -3.576 10.612 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.008 -4.338 12.193 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.649 -1.321 13.839 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.482 -3.072 14.004 1.00 0.00 H new ATOM 1147 N ALA A 74 11.991 3.864 9.875 1.00 0.00 N ATOM 1148 CA ALA A 74 13.154 4.543 10.514 1.00 0.00 C ATOM 1149 C ALA A 74 12.653 5.633 11.463 1.00 0.00 C ATOM 1150 O ALA A 74 13.305 5.977 12.429 1.00 0.00 O ATOM 1151 CB ALA A 74 14.030 5.177 9.432 1.00 0.00 C ATOM 0 H ALA A 74 12.072 3.723 8.868 1.00 0.00 H new ATOM 0 HA ALA A 74 13.736 3.812 11.075 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.881 5.674 9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.389 4.402 8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.445 5.907 8.872 1.00 0.00 H new ATOM 1157 N ASP A 75 11.498 6.176 11.196 1.00 0.00 N ATOM 1158 CA ASP A 75 10.953 7.242 12.084 1.00 0.00 C ATOM 1159 C ASP A 75 10.612 6.640 13.449 1.00 0.00 C ATOM 1160 O ASP A 75 11.425 5.985 14.070 1.00 0.00 O ATOM 1161 CB ASP A 75 9.689 7.831 11.455 1.00 0.00 C ATOM 1162 CG ASP A 75 10.023 8.409 10.078 1.00 0.00 C ATOM 1163 OD1 ASP A 75 11.199 8.571 9.794 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.097 8.681 9.332 1.00 0.00 O ATOM 0 H ASP A 75 10.908 5.928 10.402 1.00 0.00 H new ATOM 0 HA ASP A 75 11.697 8.029 12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.924 7.060 11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.280 8.610 12.098 1.00 0.00 H new ATOM 1169 N GLY A 76 9.414 6.855 13.921 1.00 0.00 N ATOM 1170 CA GLY A 76 9.023 6.292 15.245 1.00 0.00 C ATOM 1171 C GLY A 76 7.679 6.883 15.676 1.00 0.00 C ATOM 1172 O GLY A 76 7.250 7.904 15.176 1.00 0.00 O ATOM 0 H GLY A 76 8.690 7.395 13.448 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.951 5.206 15.183 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.787 6.519 15.988 1.00 0.00 H new ATOM 1176 N ALA A 77 7.011 6.248 16.600 1.00 0.00 N ATOM 1177 CA ALA A 77 5.694 6.772 17.061 1.00 0.00 C ATOM 1178 C ALA A 77 4.649 6.556 15.965 1.00 0.00 C ATOM 1179 O ALA A 77 3.461 6.663 16.198 1.00 0.00 O ATOM 1180 CB ALA A 77 5.815 8.268 17.364 1.00 0.00 C ATOM 0 H ALA A 77 7.320 5.389 17.055 1.00 0.00 H new ATOM 0 HA ALA A 77 5.389 6.244 17.964 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.851 8.650 17.701 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.560 8.422 18.145 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.120 8.798 16.462 1.00 0.00 H new ATOM 1186 N MET A 78 5.081 6.250 14.773 1.00 0.00 N ATOM 1187 CA MET A 78 4.113 6.024 13.662 1.00 0.00 C ATOM 1188 C MET A 78 4.666 4.959 12.714 1.00 0.00 C ATOM 1189 O MET A 78 4.224 4.823 11.590 1.00 0.00 O ATOM 1190 CB MET A 78 3.898 7.333 12.896 1.00 0.00 C ATOM 1191 CG MET A 78 2.640 8.031 13.417 1.00 0.00 C ATOM 1192 SD MET A 78 1.177 7.083 12.926 1.00 0.00 S ATOM 1193 CE MET A 78 -0.052 8.366 13.271 1.00 0.00 C ATOM 0 H MET A 78 6.064 6.146 14.520 1.00 0.00 H new ATOM 0 HA MET A 78 3.161 5.685 14.072 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.764 7.984 13.017 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.799 7.130 11.830 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.683 8.118 14.503 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.581 9.044 13.018 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.047 7.989 13.035 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.008 8.638 14.326 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.158 9.244 12.661 1.00 0.00 H new ATOM 1203 N SER A 79 5.629 4.199 13.159 1.00 0.00 N ATOM 1204 CA SER A 79 6.209 3.140 12.284 1.00 0.00 C ATOM 1205 C SER A 79 5.171 2.038 12.066 1.00 0.00 C ATOM 1206 O SER A 79 5.459 1.005 11.495 1.00 0.00 O ATOM 1207 CB SER A 79 7.449 2.547 12.954 1.00 0.00 C ATOM 1208 OG SER A 79 8.552 3.422 12.758 1.00 0.00 O ATOM 0 H SER A 79 6.039 4.265 14.090 1.00 0.00 H new ATOM 0 HA SER A 79 6.488 3.573 11.324 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.268 2.404 14.019 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.669 1.566 12.534 1.00 0.00 H new ATOM 0 HG SER A 79 9.351 2.898 12.541 1.00 0.00 H new ATOM 1214 N ALA A 80 3.966 2.250 12.520 1.00 0.00 N ATOM 1215 CA ALA A 80 2.907 1.216 12.342 1.00 0.00 C ATOM 1216 C ALA A 80 2.109 1.511 11.072 1.00 0.00 C ATOM 1217 O ALA A 80 1.160 0.823 10.758 1.00 0.00 O ATOM 1218 CB ALA A 80 1.967 1.239 13.548 1.00 0.00 C ATOM 0 H ALA A 80 3.669 3.095 13.007 1.00 0.00 H new ATOM 0 HA ALA A 80 3.372 0.234 12.258 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.192 0.484 13.420 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.533 1.027 14.455 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.505 2.223 13.630 1.00 0.00 H new ATOM 1224 N LEU A 81 2.486 2.530 10.344 1.00 0.00 N ATOM 1225 CA LEU A 81 1.751 2.879 9.091 1.00 0.00 C ATOM 1226 C LEU A 81 1.456 1.588 8.292 1.00 0.00 C ATOM 1227 O LEU A 81 2.371 1.020 7.729 1.00 0.00 O ATOM 1228 CB LEU A 81 2.637 3.799 8.238 1.00 0.00 C ATOM 1229 CG LEU A 81 1.848 5.037 7.792 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.576 4.607 7.058 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.472 5.880 9.015 1.00 0.00 C ATOM 0 H LEU A 81 3.275 3.138 10.564 1.00 0.00 H new ATOM 0 HA LEU A 81 0.815 3.379 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.513 4.105 8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.000 3.257 7.365 1.00 0.00 H new ATOM 0 HG LEU A 81 2.468 5.630 7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.021 5.491 6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.844 4.016 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.043 4.007 7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.912 6.758 8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.858 5.286 9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.378 6.197 9.531 1.00 0.00 H new ATOM 1243 N PRO A 82 0.210 1.137 8.250 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.123 -0.091 7.504 1.00 0.00 C ATOM 1245 C PRO A 82 0.170 0.081 6.015 1.00 0.00 C ATOM 1246 O PRO A 82 -0.145 1.094 5.415 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.622 -0.308 7.728 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.129 0.829 8.649 1.00 0.00 C ATOM 1249 CD PRO A 82 -0.950 1.777 8.914 1.00 0.00 C ATOM 0 HA PRO A 82 0.470 -0.940 7.845 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.156 -0.298 6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.804 -1.281 8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.952 1.365 8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.510 0.421 9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.141 2.769 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.775 1.901 9.983 1.00 0.00 H new ATOM 1257 N VAL A 83 0.762 -0.916 5.418 1.00 0.00 N ATOM 1258 CA VAL A 83 1.077 -0.848 3.966 1.00 0.00 C ATOM 1259 C VAL A 83 0.587 -2.101 3.286 1.00 0.00 C ATOM 1260 O VAL A 83 0.914 -3.200 3.689 1.00 0.00 O ATOM 1261 CB VAL A 83 2.591 -0.784 3.746 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.920 -1.314 2.334 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.083 0.660 3.875 1.00 0.00 C ATOM 0 H VAL A 83 1.043 -1.781 5.879 1.00 0.00 H new ATOM 0 HA VAL A 83 0.596 0.042 3.560 1.00 0.00 H new ATOM 0 HB VAL A 83 3.089 -1.396 4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.997 -1.271 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.580 -2.346 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.415 -0.700 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.161 0.693 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.588 1.281 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.851 1.036 4.872 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.146 -1.942 2.226 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.605 -3.125 1.473 1.00 0.00 C ATOM 1275 C LEU A 84 0.118 -3.157 0.133 1.00 0.00 C ATOM 1276 O LEU A 84 -0.459 -2.902 -0.906 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.110 -3.062 1.256 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.587 -4.362 0.611 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.405 -5.539 1.576 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.058 -4.224 0.260 1.00 0.00 C ATOM 0 H LEU A 84 -0.445 -1.042 1.851 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.381 -4.030 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.619 -2.908 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.361 -2.214 0.619 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.999 -4.552 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.750 -6.457 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.351 -5.638 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.985 -5.360 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.410 -5.147 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.632 -4.030 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.190 -3.396 -0.437 1.00 0.00 H new ATOM 1292 N MET A 85 1.383 -3.470 0.149 1.00 0.00 N ATOM 1293 CA MET A 85 2.143 -3.518 -1.122 1.00 0.00 C ATOM 1294 C MET A 85 1.437 -4.471 -2.081 1.00 0.00 C ATOM 1295 O MET A 85 0.850 -5.455 -1.674 1.00 0.00 O ATOM 1296 CB MET A 85 3.571 -4.001 -0.857 1.00 0.00 C ATOM 1297 CG MET A 85 4.502 -2.794 -0.713 1.00 0.00 C ATOM 1298 SD MET A 85 5.971 -3.274 0.228 1.00 0.00 S ATOM 1299 CE MET A 85 7.108 -2.067 -0.494 1.00 0.00 C ATOM 0 H MET A 85 1.919 -3.694 0.987 1.00 0.00 H new ATOM 0 HA MET A 85 2.190 -2.522 -1.563 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.599 -4.605 0.050 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.908 -4.638 -1.675 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.792 -2.425 -1.697 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.983 -1.979 -0.207 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.096 -2.186 -0.049 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.174 -2.227 -1.570 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.741 -1.059 -0.299 1.00 0.00 H new ATOM 1309 N VAL A 86 1.477 -4.167 -3.347 1.00 0.00 N ATOM 1310 CA VAL A 86 0.795 -5.021 -4.358 1.00 0.00 C ATOM 1311 C VAL A 86 1.838 -5.676 -5.259 1.00 0.00 C ATOM 1312 O VAL A 86 2.717 -5.015 -5.775 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.122 -4.127 -5.191 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.032 -4.987 -6.057 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.969 -3.264 -4.253 1.00 0.00 C ATOM 0 H VAL A 86 1.959 -3.353 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 86 0.215 -5.803 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 86 0.480 -3.486 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.684 -4.345 -6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.426 -5.602 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.638 -5.631 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.626 -2.624 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.570 -3.907 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.315 -2.646 -3.638 1.00 0.00 H new ATOM 1325 N THR A 87 1.764 -6.970 -5.450 1.00 0.00 N ATOM 1326 CA THR A 87 2.789 -7.626 -6.322 1.00 0.00 C ATOM 1327 C THR A 87 2.210 -8.857 -7.023 1.00 0.00 C ATOM 1328 O THR A 87 1.167 -9.361 -6.663 1.00 0.00 O ATOM 1329 CB THR A 87 3.986 -8.048 -5.466 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.030 -8.512 -6.311 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.565 -9.165 -4.512 1.00 0.00 C ATOM 0 H THR A 87 1.057 -7.588 -5.052 1.00 0.00 H new ATOM 0 HA THR A 87 3.102 -6.911 -7.083 1.00 0.00 H new ATOM 0 HB THR A 87 4.339 -7.194 -4.888 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.798 -8.781 -5.765 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.418 -9.464 -3.903 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.765 -8.808 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.212 -10.021 -5.087 1.00 0.00 H new ATOM 1339 N ALA A 88 2.902 -9.356 -8.013 1.00 0.00 N ATOM 1340 CA ALA A 88 2.419 -10.570 -8.729 1.00 0.00 C ATOM 1341 C ALA A 88 3.016 -11.794 -8.039 1.00 0.00 C ATOM 1342 O ALA A 88 4.108 -11.738 -7.509 1.00 0.00 O ATOM 1343 CB ALA A 88 2.879 -10.527 -10.188 1.00 0.00 C ATOM 0 H ALA A 88 3.783 -8.973 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 88 1.330 -10.614 -8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.524 -11.417 -10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.474 -9.638 -10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.968 -10.496 -10.225 1.00 0.00 H new ATOM 1349 N GLU A 89 2.315 -12.895 -8.021 1.00 0.00 N ATOM 1350 CA GLU A 89 2.864 -14.098 -7.338 1.00 0.00 C ATOM 1351 C GLU A 89 3.344 -13.678 -5.948 1.00 0.00 C ATOM 1352 O GLU A 89 2.839 -12.734 -5.375 1.00 0.00 O ATOM 1353 CB GLU A 89 4.039 -14.659 -8.142 1.00 0.00 C ATOM 1354 CG GLU A 89 3.542 -15.122 -9.513 1.00 0.00 C ATOM 1355 CD GLU A 89 4.560 -14.728 -10.585 1.00 0.00 C ATOM 1356 OE1 GLU A 89 5.744 -14.876 -10.331 1.00 0.00 O ATOM 1357 OE2 GLU A 89 4.138 -14.286 -11.641 1.00 0.00 O ATOM 0 H GLU A 89 1.395 -13.012 -8.446 1.00 0.00 H new ATOM 0 HA GLU A 89 2.097 -14.868 -7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.809 -13.897 -8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.495 -15.493 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.397 -16.202 -9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.574 -14.671 -9.732 1.00 0.00 H new ATOM 1364 N ALA A 90 4.316 -14.352 -5.397 1.00 0.00 N ATOM 1365 CA ALA A 90 4.804 -13.950 -4.046 1.00 0.00 C ATOM 1366 C ALA A 90 5.884 -14.917 -3.559 1.00 0.00 C ATOM 1367 O ALA A 90 5.630 -16.081 -3.323 1.00 0.00 O ATOM 1368 CB ALA A 90 3.639 -13.953 -3.054 1.00 0.00 C ATOM 0 H ALA A 90 4.788 -15.153 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 90 5.228 -12.948 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.000 -13.659 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.876 -13.249 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.210 -14.954 -3.000 1.00 0.00 H new ATOM 1374 N LYS A 91 7.086 -14.431 -3.390 1.00 0.00 N ATOM 1375 CA LYS A 91 8.192 -15.301 -2.898 1.00 0.00 C ATOM 1376 C LYS A 91 8.394 -15.034 -1.404 1.00 0.00 C ATOM 1377 O LYS A 91 8.659 -13.922 -1.000 1.00 0.00 O ATOM 1378 CB LYS A 91 9.482 -14.967 -3.653 1.00 0.00 C ATOM 1379 CG LYS A 91 9.890 -16.151 -4.533 1.00 0.00 C ATOM 1380 CD LYS A 91 8.828 -16.376 -5.612 1.00 0.00 C ATOM 1381 CE LYS A 91 9.456 -16.186 -6.994 1.00 0.00 C ATOM 1382 NZ LYS A 91 8.394 -16.262 -8.037 1.00 0.00 N ATOM 0 H LYS A 91 7.349 -13.463 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 91 7.943 -16.349 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.335 -14.079 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.279 -14.736 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.858 -15.957 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.001 -17.049 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.413 -17.380 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.003 -15.677 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.963 -15.222 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.210 -16.953 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.820 -16.133 -8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.929 -17.191 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.690 -15.515 -7.871 1.00 0.00 H new ATOM 1396 N LYS A 92 8.259 -16.040 -0.583 1.00 0.00 N ATOM 1397 CA LYS A 92 8.430 -15.841 0.887 1.00 0.00 C ATOM 1398 C LYS A 92 9.657 -14.965 1.166 1.00 0.00 C ATOM 1399 O LYS A 92 9.612 -14.059 1.973 1.00 0.00 O ATOM 1400 CB LYS A 92 8.613 -17.201 1.565 1.00 0.00 C ATOM 1401 CG LYS A 92 7.244 -17.771 1.940 1.00 0.00 C ATOM 1402 CD LYS A 92 7.412 -19.192 2.480 1.00 0.00 C ATOM 1403 CE LYS A 92 6.035 -19.821 2.698 1.00 0.00 C ATOM 1404 NZ LYS A 92 5.926 -20.305 4.103 1.00 0.00 N ATOM 0 H LYS A 92 8.037 -16.994 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 92 7.544 -15.345 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.133 -17.886 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.231 -17.095 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.769 -17.139 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.590 -17.777 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.991 -19.793 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.967 -19.173 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.253 -19.090 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.888 -20.649 2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.990 -20.733 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.664 -21.015 4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.048 -19.505 4.756 1.00 0.00 H new ATOM 1418 N GLU A 93 10.753 -15.234 0.513 1.00 0.00 N ATOM 1419 CA GLU A 93 11.981 -14.427 0.746 1.00 0.00 C ATOM 1420 C GLU A 93 11.672 -12.932 0.605 1.00 0.00 C ATOM 1421 O GLU A 93 12.271 -12.103 1.261 1.00 0.00 O ATOM 1422 CB GLU A 93 13.047 -14.821 -0.279 1.00 0.00 C ATOM 1423 CG GLU A 93 14.410 -14.292 0.170 1.00 0.00 C ATOM 1424 CD GLU A 93 15.248 -13.933 -1.059 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.257 -14.715 -1.994 1.00 0.00 O ATOM 1426 OE2 GLU A 93 15.866 -12.881 -1.043 1.00 0.00 O ATOM 0 H GLU A 93 10.850 -15.981 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 93 12.344 -14.620 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.083 -15.905 -0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.792 -14.415 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.281 -13.415 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.925 -15.044 0.768 1.00 0.00 H new ATOM 1433 N ASN A 94 10.758 -12.579 -0.256 1.00 0.00 N ATOM 1434 CA ASN A 94 10.434 -11.135 -0.450 1.00 0.00 C ATOM 1435 C ASN A 94 9.360 -10.682 0.545 1.00 0.00 C ATOM 1436 O ASN A 94 9.433 -9.603 1.096 1.00 0.00 O ATOM 1437 CB ASN A 94 9.928 -10.917 -1.877 1.00 0.00 C ATOM 1438 CG ASN A 94 11.093 -10.488 -2.771 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.238 -10.757 -2.467 1.00 0.00 O ATOM 1440 ND2 ASN A 94 10.848 -9.826 -3.868 1.00 0.00 N ATOM 0 H ASN A 94 10.221 -13.226 -0.834 1.00 0.00 H new ATOM 0 HA ASN A 94 11.337 -10.548 -0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.481 -11.834 -2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.149 -10.155 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.618 -9.534 -4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.887 -9.600 -4.123 1.00 0.00 H new ATOM 1447 N ILE A 95 8.360 -11.486 0.772 1.00 0.00 N ATOM 1448 CA ILE A 95 7.284 -11.078 1.726 1.00 0.00 C ATOM 1449 C ILE A 95 7.853 -11.020 3.147 1.00 0.00 C ATOM 1450 O ILE A 95 7.236 -10.493 4.051 1.00 0.00 O ATOM 1451 CB ILE A 95 6.124 -12.084 1.685 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.829 -12.499 0.241 1.00 0.00 C ATOM 1453 CG2 ILE A 95 4.868 -11.436 2.275 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.730 -13.564 0.235 1.00 0.00 C ATOM 0 H ILE A 95 8.238 -12.403 0.343 1.00 0.00 H new ATOM 0 HA ILE A 95 6.913 -10.095 1.436 1.00 0.00 H new ATOM 0 HB ILE A 95 6.405 -12.964 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.515 -11.633 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.732 -12.889 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.044 -12.148 2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.060 -11.144 3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.605 -10.554 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.517 -13.862 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.062 -14.433 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.827 -13.157 0.689 1.00 0.00 H new ATOM 1466 N ILE A 96 9.023 -11.558 3.357 1.00 0.00 N ATOM 1467 CA ILE A 96 9.617 -11.533 4.724 1.00 0.00 C ATOM 1468 C ILE A 96 10.257 -10.170 4.988 1.00 0.00 C ATOM 1469 O ILE A 96 9.770 -9.393 5.785 1.00 0.00 O ATOM 1470 CB ILE A 96 10.675 -12.632 4.841 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.981 -13.986 5.008 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.562 -12.360 6.057 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.984 -15.112 4.749 1.00 0.00 C ATOM 0 H ILE A 96 9.592 -12.013 2.643 1.00 0.00 H new ATOM 0 HA ILE A 96 8.832 -11.706 5.460 1.00 0.00 H new ATOM 0 HB ILE A 96 11.290 -12.645 3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.571 -14.074 6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.143 -14.065 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.316 -13.143 6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.054 -11.394 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.950 -12.349 6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.488 -16.075 4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.372 -15.027 3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.807 -15.037 5.460 1.00 0.00 H new ATOM 1485 N ALA A 97 11.343 -9.876 4.329 1.00 0.00 N ATOM 1486 CA ALA A 97 12.012 -8.559 4.542 1.00 0.00 C ATOM 1487 C ALA A 97 10.956 -7.455 4.518 1.00 0.00 C ATOM 1488 O ALA A 97 11.119 -6.406 5.109 1.00 0.00 O ATOM 1489 CB ALA A 97 13.030 -8.313 3.427 1.00 0.00 C ATOM 0 H ALA A 97 11.797 -10.489 3.652 1.00 0.00 H new ATOM 0 HA ALA A 97 12.526 -8.560 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.517 -7.351 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.779 -9.105 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.520 -8.308 2.464 1.00 0.00 H new ATOM 1495 N ALA A 98 9.872 -7.693 3.836 1.00 0.00 N ATOM 1496 CA ALA A 98 8.791 -6.675 3.761 1.00 0.00 C ATOM 1497 C ALA A 98 8.097 -6.556 5.120 1.00 0.00 C ATOM 1498 O ALA A 98 8.098 -5.510 5.737 1.00 0.00 O ATOM 1499 CB ALA A 98 7.771 -7.109 2.710 1.00 0.00 C ATOM 0 H ALA A 98 9.688 -8.556 3.324 1.00 0.00 H new ATOM 0 HA ALA A 98 9.218 -5.709 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.974 -6.368 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.262 -7.196 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.348 -8.074 2.990 1.00 0.00 H new ATOM 1505 N ALA A 99 7.495 -7.617 5.587 1.00 0.00 N ATOM 1506 CA ALA A 99 6.795 -7.557 6.896 1.00 0.00 C ATOM 1507 C ALA A 99 7.782 -7.149 7.990 1.00 0.00 C ATOM 1508 O ALA A 99 7.434 -6.453 8.924 1.00 0.00 O ATOM 1509 CB ALA A 99 6.203 -8.929 7.226 1.00 0.00 C ATOM 0 H ALA A 99 7.460 -8.521 5.116 1.00 0.00 H new ATOM 0 HA ALA A 99 5.993 -6.821 6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.690 -8.882 8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.494 -9.216 6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.003 -9.668 7.277 1.00 0.00 H new ATOM 1515 N GLN A 100 9.011 -7.570 7.881 1.00 0.00 N ATOM 1516 CA GLN A 100 10.016 -7.198 8.914 1.00 0.00 C ATOM 1517 C GLN A 100 9.975 -5.685 9.121 1.00 0.00 C ATOM 1518 O GLN A 100 10.426 -5.174 10.127 1.00 0.00 O ATOM 1519 CB GLN A 100 11.411 -7.613 8.443 1.00 0.00 C ATOM 1520 CG GLN A 100 12.185 -8.227 9.611 1.00 0.00 C ATOM 1521 CD GLN A 100 11.590 -9.593 9.957 1.00 0.00 C ATOM 1522 OE1 GLN A 100 11.210 -9.835 11.086 1.00 0.00 O ATOM 1523 NE2 GLN A 100 11.493 -10.504 9.028 1.00 0.00 N ATOM 0 H GLN A 100 9.362 -8.155 7.122 1.00 0.00 H new ATOM 0 HA GLN A 100 9.789 -7.706 9.851 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.332 -8.332 7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.947 -6.747 8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.237 -8.333 9.348 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.138 -7.568 10.478 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.812 -10.302 8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.099 -11.418 9.249 1.00 0.00 H new ATOM 1532 N ALA A 101 9.435 -4.971 8.167 1.00 0.00 N ATOM 1533 CA ALA A 101 9.353 -3.485 8.282 1.00 0.00 C ATOM 1534 C ALA A 101 7.897 -3.067 8.520 1.00 0.00 C ATOM 1535 O ALA A 101 7.310 -3.386 9.535 1.00 0.00 O ATOM 1536 CB ALA A 101 9.860 -2.847 6.983 1.00 0.00 C ATOM 0 H ALA A 101 9.045 -5.357 7.307 1.00 0.00 H new ATOM 0 HA ALA A 101 9.967 -3.151 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.801 -1.762 7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.895 -3.143 6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.244 -3.182 6.148 1.00 0.00 H new ATOM 1542 N GLY A 102 7.321 -2.359 7.582 1.00 0.00 N ATOM 1543 CA GLY A 102 5.909 -1.905 7.708 1.00 0.00 C ATOM 1544 C GLY A 102 5.097 -2.468 6.540 1.00 0.00 C ATOM 1545 O GLY A 102 3.899 -2.288 6.461 1.00 0.00 O ATOM 0 H GLY A 102 7.782 -2.073 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.489 -2.242 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.863 -0.816 7.708 1.00 0.00 H new ATOM 1549 N ALA A 103 5.742 -3.195 5.663 1.00 0.00 N ATOM 1550 CA ALA A 103 5.047 -3.844 4.508 1.00 0.00 C ATOM 1551 C ALA A 103 3.964 -4.792 5.038 1.00 0.00 C ATOM 1552 O ALA A 103 3.456 -5.631 4.322 1.00 0.00 O ATOM 1553 CB ALA A 103 6.054 -4.640 3.691 1.00 0.00 C ATOM 0 H ALA A 103 6.746 -3.370 5.700 1.00 0.00 H new ATOM 0 HA ALA A 103 4.592 -3.078 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.547 -5.113 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.830 -3.971 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.507 -5.407 4.319 1.00 0.00 H new ATOM 1559 N SER A 104 3.688 -4.700 6.310 1.00 0.00 N ATOM 1560 CA SER A 104 2.712 -5.614 6.996 1.00 0.00 C ATOM 1561 C SER A 104 1.613 -6.119 6.058 1.00 0.00 C ATOM 1562 O SER A 104 1.121 -7.216 6.236 1.00 0.00 O ATOM 1563 CB SER A 104 2.034 -4.842 8.132 1.00 0.00 C ATOM 1564 OG SER A 104 2.803 -4.979 9.320 1.00 0.00 O ATOM 0 H SER A 104 4.110 -4.007 6.928 1.00 0.00 H new ATOM 0 HA SER A 104 3.275 -6.475 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.940 -3.789 7.866 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.025 -5.221 8.293 1.00 0.00 H new ATOM 0 HG SER A 104 2.372 -4.484 10.048 1.00 0.00 H new ATOM 1570 N GLY A 105 1.218 -5.356 5.077 1.00 0.00 N ATOM 1571 CA GLY A 105 0.143 -5.836 4.161 1.00 0.00 C ATOM 1572 C GLY A 105 0.725 -6.204 2.796 1.00 0.00 C ATOM 1573 O GLY A 105 1.485 -5.460 2.208 1.00 0.00 O ATOM 0 H GLY A 105 1.589 -4.429 4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.353 -6.703 4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.614 -5.061 4.043 1.00 0.00 H new ATOM 1577 N TYR A 106 0.343 -7.341 2.278 1.00 0.00 N ATOM 1578 CA TYR A 106 0.831 -7.763 0.936 1.00 0.00 C ATOM 1579 C TYR A 106 -0.317 -8.444 0.198 1.00 0.00 C ATOM 1580 O TYR A 106 -0.739 -9.530 0.550 1.00 0.00 O ATOM 1581 CB TYR A 106 2.003 -8.744 1.062 1.00 0.00 C ATOM 1582 CG TYR A 106 1.767 -9.945 0.163 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.839 -9.821 -1.238 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.469 -11.190 0.732 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.613 -10.941 -2.048 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.246 -12.303 -0.082 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.317 -12.179 -1.470 1.00 0.00 C ATOM 1588 OH TYR A 106 1.096 -13.279 -2.271 1.00 0.00 O ATOM 0 H TYR A 106 -0.291 -7.999 2.732 1.00 0.00 H new ATOM 0 HA TYR A 106 1.177 -6.885 0.390 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.934 -8.249 0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.108 -9.068 2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.068 -8.865 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.411 -11.290 1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.668 -10.848 -3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.018 -13.260 0.363 1.00 0.00 H new ATOM 0 HH TYR A 106 1.374 -14.090 -1.796 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.822 -7.812 -0.822 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.935 -8.415 -1.601 1.00 0.00 C ATOM 1600 C VAL A 107 -1.416 -8.756 -2.984 1.00 0.00 C ATOM 1601 O VAL A 107 -0.810 -7.937 -3.650 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.086 -7.420 -1.747 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.674 -6.307 -2.710 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.306 -8.147 -2.317 1.00 0.00 C ATOM 0 H VAL A 107 -0.510 -6.898 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.296 -9.304 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.328 -6.993 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.493 -5.596 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.796 -5.793 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.439 -6.737 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.132 -7.443 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.057 -8.566 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.599 -8.950 -1.641 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.653 -9.942 -3.442 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.179 -10.277 -4.796 1.00 0.00 C ATOM 1616 C VAL A 108 -1.944 -9.384 -5.767 1.00 0.00 C ATOM 1617 O VAL A 108 -2.451 -8.348 -5.391 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.464 -11.749 -5.103 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -0.358 -12.308 -5.999 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.512 -12.543 -3.796 1.00 0.00 C ATOM 0 H VAL A 108 -2.147 -10.683 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.104 -10.119 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.423 -11.833 -5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.562 -13.356 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.324 -11.743 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.601 -12.223 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.715 -13.591 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.554 -12.458 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.301 -12.146 -3.158 1.00 0.00 H new ATOM 1630 N LYS A 109 -2.046 -9.769 -6.999 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.804 -8.927 -7.975 1.00 0.00 C ATOM 1632 C LYS A 109 -2.902 -9.671 -9.319 1.00 0.00 C ATOM 1633 O LYS A 109 -2.020 -10.444 -9.636 1.00 0.00 O ATOM 1634 CB LYS A 109 -2.057 -7.606 -8.182 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.590 -7.893 -8.506 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.195 -7.136 -9.776 1.00 0.00 C ATOM 1637 CE LYS A 109 1.309 -7.279 -10.011 1.00 0.00 C ATOM 1638 NZ LYS A 109 2.041 -6.305 -9.153 1.00 0.00 N ATOM 0 H LYS A 109 -1.643 -10.625 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.805 -8.729 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.515 -7.040 -8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.128 -6.991 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.045 -7.587 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.439 -8.963 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.746 -7.528 -10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.460 -6.083 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.629 -8.295 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.542 -7.102 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.037 -6.592 -9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.987 -5.358 -9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.610 -6.284 -8.207 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.936 -9.408 -10.104 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.046 -8.475 -9.775 1.00 0.00 C ATOM 1654 C PRO A 110 -5.998 -9.111 -8.754 1.00 0.00 C ATOM 1655 O PRO A 110 -6.218 -10.307 -8.768 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.798 -8.290 -11.101 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.099 -9.171 -12.166 1.00 0.00 C ATOM 1658 CD PRO A 110 -4.038 -10.012 -11.442 1.00 0.00 C ATOM 0 HA PRO A 110 -4.677 -7.541 -9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.843 -8.579 -10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.787 -7.243 -11.404 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.822 -9.814 -12.667 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.638 -8.551 -12.935 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.335 -11.059 -11.383 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.082 -9.981 -11.965 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.573 -8.317 -7.881 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.524 -8.870 -6.870 1.00 0.00 C ATOM 1668 C PHE A 111 -8.926 -8.353 -7.150 1.00 0.00 C ATOM 1669 O PHE A 111 -9.120 -7.294 -7.714 1.00 0.00 O ATOM 1670 CB PHE A 111 -7.133 -8.430 -5.450 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.657 -7.001 -5.463 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.566 -5.953 -5.668 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.301 -6.725 -5.297 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.105 -4.635 -5.707 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.841 -5.407 -5.341 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.742 -4.361 -5.548 1.00 0.00 C ATOM 0 H PHE A 111 -6.423 -7.310 -7.827 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.490 -9.957 -6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.988 -8.530 -4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.348 -9.079 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.618 -6.164 -5.795 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.603 -7.533 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.803 -3.825 -5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.789 -5.197 -5.215 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.388 -3.342 -5.585 1.00 0.00 H new ATOM 1686 N THR A 112 -9.900 -9.084 -6.721 1.00 0.00 N ATOM 1687 CA THR A 112 -11.303 -8.639 -6.897 1.00 0.00 C ATOM 1688 C THR A 112 -11.673 -7.848 -5.645 1.00 0.00 C ATOM 1689 O THR A 112 -11.187 -8.136 -4.569 1.00 0.00 O ATOM 1690 CB THR A 112 -12.221 -9.854 -7.033 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.453 -10.981 -7.428 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.295 -9.570 -8.083 1.00 0.00 C ATOM 0 H THR A 112 -9.787 -9.982 -6.250 1.00 0.00 H new ATOM 0 HA THR A 112 -11.412 -8.030 -7.794 1.00 0.00 H new ATOM 0 HB THR A 112 -12.700 -10.058 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 112 -12.039 -11.762 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.949 -10.437 -8.179 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.883 -8.705 -7.777 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.820 -9.366 -9.043 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.500 -6.849 -5.762 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.859 -6.052 -4.554 1.00 0.00 C ATOM 1702 C ALA A 113 -13.184 -6.998 -3.401 1.00 0.00 C ATOM 1703 O ALA A 113 -12.958 -6.684 -2.250 1.00 0.00 O ATOM 1704 CB ALA A 113 -14.065 -5.161 -4.860 1.00 0.00 C ATOM 0 H ALA A 113 -12.940 -6.550 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 113 -12.018 -5.419 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -14.323 -4.581 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.819 -4.484 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.913 -5.783 -5.146 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.680 -8.165 -3.695 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.975 -9.123 -2.599 1.00 0.00 C ATOM 1712 C ALA A 114 -12.656 -9.722 -2.126 1.00 0.00 C ATOM 1713 O ALA A 114 -12.461 -9.972 -0.953 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.901 -10.232 -3.101 1.00 0.00 C ATOM 0 H ALA A 114 -13.892 -8.494 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.474 -8.609 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.110 -10.928 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.835 -9.794 -3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.419 -10.765 -3.920 1.00 0.00 H new ATOM 1720 N THR A 115 -11.734 -9.927 -3.025 1.00 0.00 N ATOM 1721 CA THR A 115 -10.420 -10.477 -2.610 1.00 0.00 C ATOM 1722 C THR A 115 -9.705 -9.401 -1.795 1.00 0.00 C ATOM 1723 O THR A 115 -9.421 -9.606 -0.633 1.00 0.00 O ATOM 1724 CB THR A 115 -9.599 -10.854 -3.835 1.00 0.00 C ATOM 1725 OG1 THR A 115 -10.153 -12.018 -4.432 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.150 -11.125 -3.424 1.00 0.00 C ATOM 0 H THR A 115 -11.835 -9.738 -4.022 1.00 0.00 H new ATOM 0 HA THR A 115 -10.553 -11.378 -2.010 1.00 0.00 H new ATOM 0 HB THR A 115 -9.618 -10.033 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.627 -12.262 -5.222 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.566 -11.394 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.727 -10.229 -2.969 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.123 -11.945 -2.706 1.00 0.00 H new ATOM 1734 N LEU A 116 -9.426 -8.241 -2.371 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.764 -7.181 -1.560 1.00 0.00 C ATOM 1736 C LEU A 116 -9.486 -7.092 -0.207 1.00 0.00 C ATOM 1737 O LEU A 116 -8.869 -7.119 0.839 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.892 -5.819 -2.264 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.551 -5.038 -2.266 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -7.781 -3.544 -2.543 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.843 -5.137 -0.920 1.00 0.00 C ATOM 0 H LEU A 116 -9.626 -7.998 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.710 -7.426 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.224 -5.971 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.658 -5.224 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.940 -5.487 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.824 -3.022 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.256 -3.423 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.426 -3.126 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.908 -4.578 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.482 -4.721 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.632 -6.183 -0.696 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.794 -6.981 -0.222 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.546 -6.887 1.060 1.00 0.00 C ATOM 1755 C GLU A 117 -11.124 -8.027 1.992 1.00 0.00 C ATOM 1756 O GLU A 117 -11.110 -7.883 3.198 1.00 0.00 O ATOM 1757 CB GLU A 117 -13.048 -6.990 0.780 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.830 -6.725 2.069 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.788 -7.888 2.333 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.331 -8.905 2.829 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.962 -7.744 2.034 1.00 0.00 O ATOM 0 H GLU A 117 -11.367 -6.952 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.327 -5.931 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.336 -6.270 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.289 -7.980 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.142 -6.609 2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.388 -5.793 1.983 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.787 -9.159 1.440 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.374 -10.314 2.288 1.00 0.00 C ATOM 1770 C GLU A 118 -9.037 -10.010 2.971 1.00 0.00 C ATOM 1771 O GLU A 118 -8.854 -10.277 4.142 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.225 -11.559 1.410 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.221 -12.810 2.290 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.660 -13.189 2.644 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.312 -13.797 1.811 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.085 -12.864 3.740 1.00 0.00 O ATOM 0 H GLU A 118 -10.779 -9.335 0.435 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.133 -10.489 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.043 -11.610 0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.300 -11.503 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.735 -13.634 1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.648 -12.627 3.199 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.098 -9.461 2.249 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.771 -9.152 2.860 1.00 0.00 C ATOM 1785 C LYS A 119 -6.905 -7.977 3.831 1.00 0.00 C ATOM 1786 O LYS A 119 -6.477 -8.044 4.967 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.774 -8.784 1.758 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.012 -10.036 1.315 1.00 0.00 C ATOM 1789 CD LYS A 119 -5.999 -11.077 0.784 1.00 0.00 C ATOM 1790 CE LYS A 119 -5.380 -11.798 -0.415 1.00 0.00 C ATOM 1791 NZ LYS A 119 -6.093 -13.086 -0.644 1.00 0.00 N ATOM 0 H LYS A 119 -8.191 -9.213 1.264 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.415 -10.029 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.300 -8.347 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.075 -8.031 2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.288 -9.779 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.450 -10.448 2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.244 -11.795 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.931 -10.594 0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.446 -11.171 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.321 -11.984 -0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.672 -13.576 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.008 -13.685 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.098 -12.897 -0.835 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.488 -6.896 3.393 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.639 -5.715 4.287 1.00 0.00 C ATOM 1807 C LEU A 120 -8.247 -6.149 5.624 1.00 0.00 C ATOM 1808 O LEU A 120 -7.660 -5.969 6.672 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.553 -4.685 3.617 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.270 -3.301 4.202 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.173 -2.613 3.386 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.543 -2.451 4.159 1.00 0.00 C ATOM 0 H LEU A 120 -7.867 -6.780 2.453 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.660 -5.272 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.385 -4.679 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.598 -4.952 3.775 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.942 -3.410 5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -6.973 -1.627 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.264 -3.213 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.500 -2.509 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.337 -1.466 4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.875 -2.345 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.325 -2.937 4.743 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.421 -6.714 5.596 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.073 -7.152 6.859 1.00 0.00 C ATOM 1826 C ASN A 121 -9.124 -8.046 7.661 1.00 0.00 C ATOM 1827 O ASN A 121 -9.105 -8.014 8.876 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.340 -7.936 6.517 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.480 -6.967 6.190 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.487 -5.840 6.643 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.453 -7.363 5.415 1.00 0.00 N ATOM 0 H ASN A 121 -9.959 -6.892 4.748 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.323 -6.276 7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.154 -8.592 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.622 -8.573 7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.218 -6.726 5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.449 -8.309 5.034 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.347 -8.851 6.996 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.411 -9.757 7.724 1.00 0.00 C ATOM 1840 C LYS A 122 -6.336 -8.937 8.443 1.00 0.00 C ATOM 1841 O LYS A 122 -5.754 -9.381 9.413 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.740 -10.706 6.727 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.500 -12.037 6.677 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.993 -12.960 7.788 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.749 -14.289 7.733 1.00 0.00 C ATOM 1846 NZ LYS A 122 -7.034 -15.302 8.558 1.00 0.00 N ATOM 0 H LYS A 122 -8.317 -8.923 5.979 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.974 -10.331 8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -6.720 -10.252 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.704 -10.880 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.569 -11.861 6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.361 -12.511 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.923 -13.133 7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.136 -12.488 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.766 -14.156 8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -7.826 -14.633 6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.548 -16.205 8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.072 -15.435 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.983 -14.974 9.543 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.057 -7.750 7.978 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.009 -6.924 8.644 1.00 0.00 C ATOM 1862 C ILE A 123 -5.630 -6.083 9.758 1.00 0.00 C ATOM 1863 O ILE A 123 -5.119 -6.022 10.859 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.359 -5.990 7.622 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.322 -6.777 6.809 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.677 -4.831 8.364 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.755 -5.906 5.684 1.00 0.00 C ATOM 0 H ILE A 123 -6.506 -7.318 7.171 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.258 -7.591 9.067 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.114 -5.589 6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.515 -7.110 7.462 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.782 -7.671 6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.211 -4.161 7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.420 -4.282 8.942 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.915 -5.227 9.035 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.021 -6.478 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.563 -5.595 5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.277 -5.025 6.112 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.714 -5.416 9.480 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.344 -4.563 10.520 1.00 0.00 C ATOM 1881 C PHE A 124 -7.715 -5.401 11.740 1.00 0.00 C ATOM 1882 O PHE A 124 -8.013 -4.875 12.794 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.580 -3.889 9.937 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.134 -2.661 9.186 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.562 -2.795 7.918 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.271 -1.392 9.762 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.131 -1.663 7.222 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.837 -0.258 9.065 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.268 -0.397 7.794 1.00 0.00 C ATOM 0 H PHE A 124 -7.190 -5.426 8.578 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.636 -3.798 10.838 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.107 -4.572 9.271 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.276 -3.618 10.731 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.453 -3.774 7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.711 -1.288 10.743 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.692 -1.767 6.241 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.941 0.722 9.507 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.934 0.477 7.255 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.679 -6.699 11.625 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.007 -7.539 12.807 1.00 0.00 C ATOM 1901 C GLU A 125 -6.922 -7.314 13.857 1.00 0.00 C ATOM 1902 O GLU A 125 -7.135 -7.486 15.040 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.045 -9.016 12.407 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.919 -9.789 13.398 1.00 0.00 C ATOM 1905 CD GLU A 125 -10.395 -9.527 13.092 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -10.667 -8.625 12.317 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -11.227 -10.232 13.639 1.00 0.00 O ATOM 0 H GLU A 125 -7.440 -7.209 10.774 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.985 -7.267 13.204 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.442 -9.121 11.397 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.036 -9.428 12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.707 -10.856 13.330 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -8.688 -9.482 14.418 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.762 -6.905 13.423 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.655 -6.636 14.379 1.00 0.00 C ATOM 1916 C LYS A 126 -4.709 -5.159 14.770 1.00 0.00 C ATOM 1917 O LYS A 126 -4.322 -4.776 15.856 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.310 -6.932 13.703 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.630 -8.148 14.354 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.983 -7.754 15.692 1.00 0.00 C ATOM 1921 CE LYS A 126 -0.825 -6.774 15.462 1.00 0.00 C ATOM 1922 NZ LYS A 126 -1.254 -5.404 15.862 1.00 0.00 N ATOM 0 H LYS A 126 -5.534 -6.745 12.442 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.758 -7.267 15.261 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.465 -7.121 12.641 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.659 -6.061 13.780 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.363 -8.938 14.517 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -1.872 -8.551 13.682 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.729 -7.298 16.343 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.617 -8.645 16.202 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.046 -7.079 16.042 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.528 -6.783 14.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.843 -4.707 15.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.292 -5.341 15.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.928 -5.207 16.830 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.197 -4.327 13.886 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.288 -2.874 14.198 1.00 0.00 C ATOM 1938 C LEU A 127 -6.515 -2.628 15.078 1.00 0.00 C ATOM 1939 O LEU A 127 -6.575 -1.666 15.818 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.419 -2.072 12.894 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.626 -0.767 13.011 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.739 0.019 11.704 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.191 0.073 14.159 1.00 0.00 C ATOM 0 H LEU A 127 -5.536 -4.594 12.962 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.388 -2.555 14.724 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.048 -2.660 12.055 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.468 -1.855 12.693 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.579 -0.997 13.208 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.174 0.948 11.788 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.337 -0.577 10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.786 0.248 11.506 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.627 1.002 14.242 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.238 0.301 13.962 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.111 -0.485 15.092 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.493 -3.494 15.008 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.714 -3.311 15.844 1.00 0.00 C ATOM 1957 C GLY A 128 -9.181 -1.858 15.758 1.00 0.00 C ATOM 1958 O GLY A 128 -8.896 -1.052 16.621 1.00 0.00 O ATOM 0 H GLY A 128 -7.498 -4.319 14.408 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.505 -3.979 15.502 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.501 -3.574 16.880 1.00 0.00 H new ATOM 1962 N MET A 129 -9.896 -1.516 14.722 1.00 0.00 N ATOM 1963 CA MET A 129 -10.379 -0.114 14.581 1.00 0.00 C ATOM 1964 C MET A 129 -11.761 0.019 15.225 1.00 0.00 C ATOM 1965 O MET A 129 -12.353 1.078 15.097 1.00 0.00 O ATOM 1966 CB MET A 129 -10.468 0.247 13.097 1.00 0.00 C ATOM 1967 CG MET A 129 -9.522 1.411 12.797 1.00 0.00 C ATOM 1968 SD MET A 129 -10.053 2.873 13.723 1.00 0.00 S ATOM 1969 CE MET A 129 -10.504 3.891 12.296 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.203 -0.941 15.835 1.00 0.00 O ATOM 0 H MET A 129 -10.167 -2.147 13.967 1.00 0.00 H new ATOM 0 HA MET A 129 -9.683 0.562 15.078 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.205 -0.616 12.486 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.491 0.520 12.839 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.501 1.144 13.071 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.519 1.625 11.728 1.00 0.00 H new ATOM 0 HE1 MET A 129 -10.866 4.860 12.640 1.00 0.00 H new ATOM 0 HE2 MET A 129 -9.630 4.035 11.661 1.00 0.00 H new ATOM 0 HE3 MET A 129 -11.288 3.392 11.726 1.00 0.00 H new