USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 GLN : amide:sc= -0.621 K(o=-0.62,f=-5.2!) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= -0.102 (180deg=-0.235) USER MOD Single : A 42 THR OG1 : rot 11:sc= 0.488 USER MOD Single : A 43 ASN : amide:sc= -0.0347 K(o=-0.035,f=-5.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.75) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 171:sc= -8.19! (180deg=-8.68!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= -0.0429 (180deg=-0.202) USER MOD Single : A 73 MET CE :methyl -113:sc= -2.91! (180deg=-6.99!) USER MOD Single : A 74 ASN : amide:sc= 1.11 K(o=1.1,f=-0.13) USER MOD Single : A 76 TYR OH : rot 62:sc= 1.25 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 152:sc= -0.744 (180deg=-1.65!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -5.07! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -173:sc= 0.453 (180deg=0.431) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.393 F(o=-1.2,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 27 18.301 2.020 1.781 1.00 1.84 N ATOM 34 CA GLU A 27 17.699 3.199 1.173 1.00 1.64 C ATOM 35 C GLU A 27 17.487 3.000 -0.326 1.00 1.38 C ATOM 36 O GLU A 27 16.646 3.659 -0.931 1.00 1.18 O ATOM 37 CB GLU A 27 18.538 4.442 1.457 1.00 1.82 C ATOM 38 CG GLU A 27 18.806 4.642 2.938 1.00 2.09 C ATOM 39 CD GLU A 27 19.034 6.088 3.304 1.00 2.19 C ATOM 40 OE1 GLU A 27 20.094 6.633 2.933 1.00 2.50 O ATOM 41 OE2 GLU A 27 18.149 6.693 3.943 1.00 2.66 O ATOM 0 HA GLU A 27 16.718 3.348 1.623 1.00 1.64 H new ATOM 0 HB2 GLU A 27 19.487 4.363 0.928 1.00 1.82 H new ATOM 0 HB3 GLU A 27 18.025 5.319 1.063 1.00 1.82 H new ATOM 0 HG2 GLU A 27 17.962 4.257 3.510 1.00 2.09 H new ATOM 0 HG3 GLU A 27 19.680 4.058 3.226 1.00 2.09 H new ATOM 48 N GLU A 28 18.237 2.074 -0.914 1.00 1.45 N ATOM 49 CA GLU A 28 17.999 1.661 -2.294 1.00 1.33 C ATOM 50 C GLU A 28 16.602 1.059 -2.419 1.00 1.15 C ATOM 51 O GLU A 28 15.878 1.303 -3.388 1.00 1.01 O ATOM 52 CB GLU A 28 19.047 0.631 -2.728 1.00 1.59 C ATOM 53 CG GLU A 28 19.083 -0.612 -1.850 1.00 1.83 C ATOM 54 CD GLU A 28 20.053 -1.656 -2.354 1.00 2.29 C ATOM 55 OE1 GLU A 28 19.655 -2.493 -3.186 1.00 2.53 O ATOM 56 OE2 GLU A 28 21.224 -1.645 -1.915 1.00 2.57 O ATOM 0 H GLU A 28 19.014 1.595 -0.458 1.00 1.45 H new ATOM 0 HA GLU A 28 18.075 2.535 -2.941 1.00 1.33 H new ATOM 0 HB2 GLU A 28 18.846 0.333 -3.757 1.00 1.59 H new ATOM 0 HB3 GLU A 28 20.031 1.100 -2.719 1.00 1.59 H new ATOM 0 HG2 GLU A 28 19.358 -0.327 -0.835 1.00 1.83 H new ATOM 0 HG3 GLU A 28 18.084 -1.045 -1.799 1.00 1.83 H new ATOM 63 N GLN A 29 16.231 0.281 -1.411 1.00 1.23 N ATOM 64 CA GLN A 29 14.935 -0.354 -1.359 1.00 1.11 C ATOM 65 C GLN A 29 13.877 0.696 -1.075 1.00 0.88 C ATOM 66 O GLN A 29 12.758 0.630 -1.582 1.00 0.73 O ATOM 67 CB GLN A 29 14.938 -1.414 -0.262 1.00 1.29 C ATOM 68 CG GLN A 29 16.163 -2.316 -0.277 1.00 1.88 C ATOM 69 CD GLN A 29 16.228 -3.232 -1.485 1.00 2.64 C ATOM 70 OE1 GLN A 29 15.725 -2.910 -2.560 1.00 3.15 O ATOM 71 NE2 GLN A 29 16.858 -4.382 -1.315 1.00 3.30 N ATOM 0 H GLN A 29 16.826 0.076 -0.608 1.00 1.23 H new ATOM 0 HA GLN A 29 14.713 -0.833 -2.313 1.00 1.11 H new ATOM 0 HB2 GLN A 29 14.876 -0.919 0.707 1.00 1.29 H new ATOM 0 HB3 GLN A 29 14.045 -2.030 -0.364 1.00 1.29 H new ATOM 0 HG2 GLN A 29 17.060 -1.697 -0.252 1.00 1.88 H new ATOM 0 HG3 GLN A 29 16.169 -2.922 0.629 1.00 1.88 H new ATOM 0 HE21 GLN A 29 17.262 -4.613 -0.407 1.00 3.30 H new ATOM 0 HE22 GLN A 29 16.940 -5.038 -2.092 1.00 3.30 H new ATOM 80 N LYS A 30 14.254 1.673 -0.255 1.00 0.95 N ATOM 81 CA LYS A 30 13.400 2.817 0.015 1.00 0.92 C ATOM 82 C LYS A 30 13.072 3.546 -1.265 1.00 0.75 C ATOM 83 O LYS A 30 11.924 3.868 -1.502 1.00 0.72 O ATOM 84 CB LYS A 30 14.065 3.778 0.995 1.00 1.20 C ATOM 85 CG LYS A 30 13.861 3.381 2.434 1.00 1.50 C ATOM 86 CD LYS A 30 14.845 4.067 3.366 1.00 1.83 C ATOM 87 CE LYS A 30 14.551 5.547 3.478 1.00 1.97 C ATOM 88 NZ LYS A 30 15.493 6.246 4.392 1.00 2.57 N ATOM 0 H LYS A 30 15.149 1.692 0.234 1.00 0.95 H new ATOM 0 HA LYS A 30 12.478 2.445 0.462 1.00 0.92 H new ATOM 0 HB2 LYS A 30 15.133 3.823 0.784 1.00 1.20 H new ATOM 0 HB3 LYS A 30 13.667 4.781 0.840 1.00 1.20 H new ATOM 0 HG2 LYS A 30 12.844 3.629 2.736 1.00 1.50 H new ATOM 0 HG3 LYS A 30 13.967 2.300 2.529 1.00 1.50 H new ATOM 0 HD2 LYS A 30 14.795 3.608 4.353 1.00 1.83 H new ATOM 0 HD3 LYS A 30 15.861 3.922 2.998 1.00 1.83 H new ATOM 0 HE2 LYS A 30 14.605 6.001 2.489 1.00 1.97 H new ATOM 0 HE3 LYS A 30 13.531 5.686 3.837 1.00 1.97 H new ATOM 0 HZ1 LYS A 30 15.171 7.223 4.541 1.00 2.57 H new ATOM 0 HZ2 LYS A 30 15.525 5.749 5.305 1.00 2.57 H new ATOM 0 HZ3 LYS A 30 16.443 6.256 3.970 1.00 2.57 H new ATOM 102 N GLN A 31 14.080 3.778 -2.091 1.00 0.77 N ATOM 103 CA GLN A 31 13.900 4.531 -3.326 1.00 0.75 C ATOM 104 C GLN A 31 12.743 3.993 -4.160 1.00 0.64 C ATOM 105 O GLN A 31 11.990 4.764 -4.744 1.00 0.75 O ATOM 106 CB GLN A 31 15.175 4.514 -4.165 1.00 0.87 C ATOM 107 CG GLN A 31 16.314 5.324 -3.574 1.00 1.12 C ATOM 108 CD GLN A 31 17.539 5.316 -4.464 1.00 1.93 C ATOM 109 OE1 GLN A 31 17.797 4.343 -5.177 1.00 2.61 O ATOM 110 NE2 GLN A 31 18.301 6.393 -4.439 1.00 2.55 N ATOM 0 H GLN A 31 15.034 3.456 -1.930 1.00 0.77 H new ATOM 0 HA GLN A 31 13.668 5.556 -3.036 1.00 0.75 H new ATOM 0 HB2 GLN A 31 15.503 3.482 -4.288 1.00 0.87 H new ATOM 0 HB3 GLN A 31 14.948 4.897 -5.160 1.00 0.87 H new ATOM 0 HG2 GLN A 31 15.985 6.352 -3.419 1.00 1.12 H new ATOM 0 HG3 GLN A 31 16.575 4.922 -2.595 1.00 1.12 H new ATOM 0 HE21 GLN A 31 18.055 7.178 -3.836 1.00 2.55 H new ATOM 0 HE22 GLN A 31 19.136 6.441 -5.023 1.00 2.55 H new ATOM 119 N GLU A 32 12.600 2.676 -4.212 1.00 0.58 N ATOM 120 CA GLU A 32 11.525 2.066 -4.987 1.00 0.62 C ATOM 121 C GLU A 32 10.166 2.262 -4.314 1.00 0.56 C ATOM 122 O GLU A 32 9.193 2.635 -4.965 1.00 0.62 O ATOM 123 CB GLU A 32 11.793 0.576 -5.201 1.00 0.77 C ATOM 124 CG GLU A 32 13.050 0.296 -6.005 1.00 1.09 C ATOM 125 CD GLU A 32 13.198 -1.165 -6.360 1.00 1.90 C ATOM 126 OE1 GLU A 32 12.531 -1.617 -7.314 1.00 2.03 O ATOM 127 OE2 GLU A 32 13.977 -1.866 -5.690 1.00 2.77 O ATOM 0 H GLU A 32 13.208 2.013 -3.732 1.00 0.58 H new ATOM 0 HA GLU A 32 11.498 2.565 -5.956 1.00 0.62 H new ATOM 0 HB2 GLU A 32 11.876 0.087 -4.230 1.00 0.77 H new ATOM 0 HB3 GLU A 32 10.939 0.131 -5.711 1.00 0.77 H new ATOM 0 HG2 GLU A 32 13.031 0.888 -6.920 1.00 1.09 H new ATOM 0 HG3 GLU A 32 13.921 0.618 -5.434 1.00 1.09 H new ATOM 134 N ILE A 33 10.114 2.029 -3.011 1.00 0.51 N ATOM 135 CA ILE A 33 8.859 2.084 -2.260 1.00 0.51 C ATOM 136 C ILE A 33 8.438 3.526 -1.964 1.00 0.50 C ATOM 137 O ILE A 33 7.281 3.900 -2.147 1.00 0.54 O ATOM 138 CB ILE A 33 8.989 1.286 -0.947 1.00 0.53 C ATOM 139 CG1 ILE A 33 9.126 -0.202 -1.269 1.00 0.59 C ATOM 140 CG2 ILE A 33 7.806 1.543 -0.024 1.00 0.55 C ATOM 141 CD1 ILE A 33 9.112 -1.094 -0.053 1.00 0.68 C ATOM 0 H ILE A 33 10.930 1.798 -2.444 1.00 0.51 H new ATOM 0 HA ILE A 33 8.083 1.634 -2.879 1.00 0.51 H new ATOM 0 HB ILE A 33 9.883 1.618 -0.419 1.00 0.53 H new ATOM 0 HG12 ILE A 33 8.313 -0.496 -1.933 1.00 0.59 H new ATOM 0 HG13 ILE A 33 10.056 -0.362 -1.814 1.00 0.59 H new ATOM 0 HG21 ILE A 33 7.928 0.966 0.893 1.00 0.55 H new ATOM 0 HG22 ILE A 33 7.758 2.604 0.219 1.00 0.55 H new ATOM 0 HG23 ILE A 33 6.884 1.243 -0.522 1.00 0.55 H new ATOM 0 HD11 ILE A 33 9.214 -2.134 -0.363 1.00 0.68 H new ATOM 0 HD12 ILE A 33 9.941 -0.828 0.603 1.00 0.68 H new ATOM 0 HD13 ILE A 33 8.171 -0.965 0.482 1.00 0.68 H new ATOM 153 N LYS A 34 9.397 4.317 -1.520 1.00 0.53 N ATOM 154 CA LYS A 34 9.202 5.736 -1.229 1.00 0.60 C ATOM 155 C LYS A 34 8.602 6.437 -2.435 1.00 0.54 C ATOM 156 O LYS A 34 7.643 7.200 -2.330 1.00 0.59 O ATOM 157 CB LYS A 34 10.572 6.346 -0.937 1.00 0.76 C ATOM 158 CG LYS A 34 10.583 7.568 -0.041 1.00 1.13 C ATOM 159 CD LYS A 34 10.193 7.231 1.377 1.00 1.13 C ATOM 160 CE LYS A 34 11.110 6.162 1.936 1.00 1.48 C ATOM 161 NZ LYS A 34 11.055 6.103 3.420 1.00 1.85 N ATOM 0 H LYS A 34 10.349 3.993 -1.347 1.00 0.53 H new ATOM 0 HA LYS A 34 8.529 5.852 -0.379 1.00 0.60 H new ATOM 0 HB2 LYS A 34 11.198 5.580 -0.479 1.00 0.76 H new ATOM 0 HB3 LYS A 34 11.038 6.613 -1.886 1.00 0.76 H new ATOM 0 HG2 LYS A 34 11.578 8.014 -0.048 1.00 1.13 H new ATOM 0 HG3 LYS A 34 9.896 8.315 -0.438 1.00 1.13 H new ATOM 0 HD2 LYS A 34 10.245 8.125 1.998 1.00 1.13 H new ATOM 0 HD3 LYS A 34 9.160 6.884 1.404 1.00 1.13 H new ATOM 0 HE2 LYS A 34 10.830 5.192 1.524 1.00 1.48 H new ATOM 0 HE3 LYS A 34 12.134 6.360 1.619 1.00 1.48 H new ATOM 0 HZ1 LYS A 34 11.589 5.275 3.755 1.00 1.85 H new ATOM 0 HZ2 LYS A 34 11.473 6.968 3.818 1.00 1.85 H new ATOM 0 HZ3 LYS A 34 10.065 6.024 3.728 1.00 1.85 H new ATOM 175 N GLU A 35 9.174 6.133 -3.585 1.00 0.52 N ATOM 176 CA GLU A 35 8.819 6.784 -4.828 1.00 0.58 C ATOM 177 C GLU A 35 7.510 6.228 -5.379 1.00 0.53 C ATOM 178 O GLU A 35 6.755 6.938 -6.044 1.00 0.58 O ATOM 179 CB GLU A 35 9.958 6.581 -5.810 1.00 0.72 C ATOM 180 CG GLU A 35 9.946 7.535 -6.988 1.00 1.17 C ATOM 181 CD GLU A 35 11.110 7.298 -7.921 1.00 1.51 C ATOM 182 OE1 GLU A 35 12.211 7.818 -7.646 1.00 1.97 O ATOM 183 OE2 GLU A 35 10.924 6.596 -8.939 1.00 2.02 O ATOM 0 H GLU A 35 9.901 5.424 -3.682 1.00 0.52 H new ATOM 0 HA GLU A 35 8.664 7.850 -4.660 1.00 0.58 H new ATOM 0 HB2 GLU A 35 10.904 6.691 -5.279 1.00 0.72 H new ATOM 0 HB3 GLU A 35 9.920 5.558 -6.186 1.00 0.72 H new ATOM 0 HG2 GLU A 35 9.012 7.420 -7.538 1.00 1.17 H new ATOM 0 HG3 GLU A 35 9.977 8.562 -6.623 1.00 1.17 H new ATOM 190 N ALA A 36 7.242 4.954 -5.098 1.00 0.47 N ATOM 191 CA ALA A 36 5.970 4.351 -5.457 1.00 0.45 C ATOM 192 C ALA A 36 4.866 4.977 -4.620 1.00 0.39 C ATOM 193 O ALA A 36 3.747 5.167 -5.084 1.00 0.40 O ATOM 194 CB ALA A 36 6.005 2.843 -5.255 1.00 0.52 C ATOM 0 H ALA A 36 7.890 4.325 -4.624 1.00 0.47 H new ATOM 0 HA ALA A 36 5.774 4.537 -6.513 1.00 0.45 H new ATOM 0 HB1 ALA A 36 5.041 2.416 -5.531 1.00 0.52 H new ATOM 0 HB2 ALA A 36 6.786 2.410 -5.881 1.00 0.52 H new ATOM 0 HB3 ALA A 36 6.214 2.621 -4.209 1.00 0.52 H new ATOM 200 N PHE A 37 5.202 5.308 -3.382 1.00 0.38 N ATOM 201 CA PHE A 37 4.303 6.018 -2.498 1.00 0.36 C ATOM 202 C PHE A 37 3.958 7.387 -3.084 1.00 0.37 C ATOM 203 O PHE A 37 2.789 7.775 -3.130 1.00 0.42 O ATOM 204 CB PHE A 37 4.966 6.158 -1.130 1.00 0.37 C ATOM 205 CG PHE A 37 4.101 6.782 -0.089 1.00 0.39 C ATOM 206 CD1 PHE A 37 3.031 6.088 0.439 1.00 0.44 C ATOM 207 CD2 PHE A 37 4.348 8.069 0.352 1.00 0.52 C ATOM 208 CE1 PHE A 37 2.225 6.660 1.394 1.00 0.52 C ATOM 209 CE2 PHE A 37 3.546 8.650 1.308 1.00 0.61 C ATOM 210 CZ PHE A 37 2.511 7.938 1.861 1.00 0.58 C ATOM 0 H PHE A 37 6.107 5.090 -2.966 1.00 0.38 H new ATOM 0 HA PHE A 37 3.372 5.461 -2.388 1.00 0.36 H new ATOM 0 HB2 PHE A 37 5.273 5.171 -0.786 1.00 0.37 H new ATOM 0 HB3 PHE A 37 5.872 6.754 -1.238 1.00 0.37 H new ATOM 0 HD1 PHE A 37 2.825 5.084 0.098 1.00 0.44 H new ATOM 0 HD2 PHE A 37 5.179 8.624 -0.058 1.00 0.52 H new ATOM 0 HE1 PHE A 37 1.373 6.119 1.780 1.00 0.52 H new ATOM 0 HE2 PHE A 37 3.731 9.666 1.623 1.00 0.61 H new ATOM 0 HZ PHE A 37 1.921 8.369 2.656 1.00 0.58 H new ATOM 220 N ASP A 38 4.983 8.104 -3.548 1.00 0.39 N ATOM 221 CA ASP A 38 4.786 9.383 -4.237 1.00 0.46 C ATOM 222 C ASP A 38 3.931 9.185 -5.481 1.00 0.44 C ATOM 223 O ASP A 38 3.036 9.977 -5.774 1.00 0.53 O ATOM 224 CB ASP A 38 6.124 9.989 -4.671 1.00 0.57 C ATOM 225 CG ASP A 38 7.017 10.392 -3.515 1.00 1.20 C ATOM 226 OD1 ASP A 38 6.535 11.108 -2.611 1.00 1.20 O ATOM 227 OD2 ASP A 38 8.188 9.953 -3.476 1.00 2.10 O ATOM 0 H ASP A 38 5.959 7.821 -3.460 1.00 0.39 H new ATOM 0 HA ASP A 38 4.291 10.056 -3.537 1.00 0.46 H new ATOM 0 HB2 ASP A 38 6.654 9.268 -5.293 1.00 0.57 H new ATOM 0 HB3 ASP A 38 5.932 10.864 -5.291 1.00 0.57 H new ATOM 232 N LEU A 39 4.242 8.121 -6.213 1.00 0.40 N ATOM 233 CA LEU A 39 3.527 7.755 -7.426 1.00 0.43 C ATOM 234 C LEU A 39 2.057 7.515 -7.136 1.00 0.46 C ATOM 235 O LEU A 39 1.183 8.166 -7.706 1.00 0.55 O ATOM 236 CB LEU A 39 4.155 6.481 -8.017 1.00 0.46 C ATOM 237 CG LEU A 39 3.494 5.867 -9.271 1.00 0.53 C ATOM 238 CD1 LEU A 39 2.188 5.168 -8.962 1.00 1.27 C ATOM 239 CD2 LEU A 39 3.296 6.918 -10.351 1.00 1.09 C ATOM 0 H LEU A 39 5.004 7.485 -5.978 1.00 0.40 H new ATOM 0 HA LEU A 39 3.604 8.574 -8.141 1.00 0.43 H new ATOM 0 HB2 LEU A 39 5.194 6.702 -8.260 1.00 0.46 H new ATOM 0 HB3 LEU A 39 4.165 5.720 -7.237 1.00 0.46 H new ATOM 0 HG LEU A 39 4.180 5.106 -9.642 1.00 0.53 H new ATOM 0 HD11 LEU A 39 1.769 4.756 -9.880 1.00 1.27 H new ATOM 0 HD12 LEU A 39 2.366 4.361 -8.251 1.00 1.27 H new ATOM 0 HD13 LEU A 39 1.486 5.882 -8.532 1.00 1.27 H new ATOM 0 HD21 LEU A 39 2.829 6.460 -11.223 1.00 1.09 H new ATOM 0 HD22 LEU A 39 2.654 7.713 -9.972 1.00 1.09 H new ATOM 0 HD23 LEU A 39 4.262 7.335 -10.634 1.00 1.09 H new ATOM 251 N PHE A 40 1.800 6.554 -6.261 1.00 0.48 N ATOM 252 CA PHE A 40 0.460 6.050 -6.077 1.00 0.58 C ATOM 253 C PHE A 40 -0.432 7.090 -5.413 1.00 0.55 C ATOM 254 O PHE A 40 -1.648 7.077 -5.604 1.00 0.63 O ATOM 255 CB PHE A 40 0.470 4.752 -5.270 1.00 0.74 C ATOM 256 CG PHE A 40 0.873 3.537 -6.055 1.00 0.55 C ATOM 257 CD1 PHE A 40 0.157 3.151 -7.178 1.00 0.92 C ATOM 258 CD2 PHE A 40 1.970 2.782 -5.676 1.00 0.74 C ATOM 259 CE1 PHE A 40 0.528 2.039 -7.907 1.00 1.38 C ATOM 260 CE2 PHE A 40 2.346 1.667 -6.399 1.00 1.01 C ATOM 261 CZ PHE A 40 1.611 1.279 -7.499 1.00 1.36 C ATOM 0 H PHE A 40 2.505 6.112 -5.671 1.00 0.48 H new ATOM 0 HA PHE A 40 0.049 5.834 -7.063 1.00 0.58 H new ATOM 0 HB2 PHE A 40 1.151 4.868 -4.427 1.00 0.74 H new ATOM 0 HB3 PHE A 40 -0.525 4.588 -4.855 1.00 0.74 H new ATOM 0 HD1 PHE A 40 -0.702 3.728 -7.486 1.00 0.92 H new ATOM 0 HD2 PHE A 40 2.539 3.069 -4.804 1.00 0.74 H new ATOM 0 HE1 PHE A 40 -0.025 1.763 -8.793 1.00 1.38 H new ATOM 0 HE2 PHE A 40 3.216 1.099 -6.103 1.00 1.01 H new ATOM 0 HZ PHE A 40 1.879 0.384 -8.041 1.00 1.36 H new ATOM 271 N ASP A 41 0.180 7.985 -4.628 1.00 0.53 N ATOM 272 CA ASP A 41 -0.528 9.142 -4.076 1.00 0.58 C ATOM 273 C ASP A 41 -1.064 9.990 -5.223 1.00 0.69 C ATOM 274 O ASP A 41 -0.341 10.784 -5.822 1.00 1.27 O ATOM 275 CB ASP A 41 0.402 9.976 -3.172 1.00 0.65 C ATOM 276 CG ASP A 41 -0.185 11.324 -2.760 1.00 0.86 C ATOM 277 OD1 ASP A 41 -0.876 11.380 -1.721 1.00 1.23 O ATOM 278 OD2 ASP A 41 0.010 12.326 -3.485 1.00 1.32 O ATOM 0 H ASP A 41 1.163 7.929 -4.362 1.00 0.53 H new ATOM 0 HA ASP A 41 -1.359 8.795 -3.462 1.00 0.58 H new ATOM 0 HB2 ASP A 41 0.632 9.401 -2.275 1.00 0.65 H new ATOM 0 HB3 ASP A 41 1.344 10.145 -3.693 1.00 0.65 H new ATOM 283 N THR A 42 -2.320 9.768 -5.565 1.00 0.79 N ATOM 284 CA THR A 42 -2.930 10.450 -6.687 1.00 0.92 C ATOM 285 C THR A 42 -4.055 11.360 -6.228 1.00 1.07 C ATOM 286 O THR A 42 -4.587 12.150 -7.007 1.00 1.16 O ATOM 287 CB THR A 42 -3.437 9.449 -7.744 1.00 0.95 C ATOM 288 OG1 THR A 42 -4.000 8.292 -7.106 1.00 1.00 O ATOM 289 CG2 THR A 42 -2.306 9.025 -8.667 1.00 1.08 C ATOM 0 H THR A 42 -2.938 9.118 -5.079 1.00 0.79 H new ATOM 0 HA THR A 42 -2.161 11.068 -7.151 1.00 0.92 H new ATOM 0 HB THR A 42 -4.208 9.942 -8.336 1.00 0.95 H new ATOM 0 HG1 THR A 42 -4.103 8.465 -6.147 1.00 1.00 H new ATOM 0 HG21 THR A 42 -2.685 8.318 -9.406 1.00 1.08 H new ATOM 0 HG22 THR A 42 -1.904 9.901 -9.176 1.00 1.08 H new ATOM 0 HG23 THR A 42 -1.518 8.551 -8.082 1.00 1.08 H new ATOM 297 N ASN A 43 -4.421 11.251 -4.956 1.00 1.32 N ATOM 298 CA ASN A 43 -5.330 12.219 -4.354 1.00 1.61 C ATOM 299 C ASN A 43 -4.524 13.434 -3.909 1.00 1.76 C ATOM 300 O ASN A 43 -5.072 14.508 -3.653 1.00 2.46 O ATOM 301 CB ASN A 43 -6.092 11.615 -3.163 1.00 1.71 C ATOM 302 CG ASN A 43 -5.304 11.672 -1.866 1.00 2.12 C ATOM 303 OD1 ASN A 43 -5.381 12.657 -1.132 1.00 2.53 O ATOM 304 ND2 ASN A 43 -4.572 10.612 -1.556 1.00 2.70 N ATOM 0 H ASN A 43 -4.107 10.511 -4.328 1.00 1.32 H new ATOM 0 HA ASN A 43 -6.074 12.513 -5.094 1.00 1.61 H new ATOM 0 HB2 ASN A 43 -7.034 12.148 -3.033 1.00 1.71 H new ATOM 0 HB3 ASN A 43 -6.340 10.577 -3.386 1.00 1.71 H new ATOM 0 HD21 ASN A 43 -4.046 10.593 -0.682 1.00 2.70 H new ATOM 0 HD22 ASN A 43 -4.534 9.815 -2.191 1.00 2.70 H new ATOM 311 N LYS A 44 -3.207 13.227 -3.825 1.00 1.55 N ATOM 312 CA LYS A 44 -2.243 14.272 -3.513 1.00 1.81 C ATOM 313 C LYS A 44 -2.431 14.813 -2.098 1.00 1.50 C ATOM 314 O LYS A 44 -3.073 15.846 -1.887 1.00 1.91 O ATOM 315 CB LYS A 44 -2.311 15.401 -4.553 1.00 2.48 C ATOM 316 CG LYS A 44 -1.227 16.468 -4.415 1.00 3.08 C ATOM 317 CD LYS A 44 0.179 15.918 -4.636 1.00 3.52 C ATOM 318 CE LYS A 44 0.763 15.318 -3.363 1.00 3.55 C ATOM 319 NZ LYS A 44 2.150 14.826 -3.558 1.00 3.97 N ATOM 0 H LYS A 44 -2.780 12.313 -3.975 1.00 1.55 H new ATOM 0 HA LYS A 44 -1.249 13.827 -3.556 1.00 1.81 H new ATOM 0 HB2 LYS A 44 -2.244 14.963 -5.549 1.00 2.48 H new ATOM 0 HB3 LYS A 44 -3.286 15.883 -4.482 1.00 2.48 H new ATOM 0 HG2 LYS A 44 -1.416 17.266 -5.133 1.00 3.08 H new ATOM 0 HG3 LYS A 44 -1.286 16.912 -3.421 1.00 3.08 H new ATOM 0 HD2 LYS A 44 0.152 15.157 -5.416 1.00 3.52 H new ATOM 0 HD3 LYS A 44 0.829 16.717 -4.992 1.00 3.52 H new ATOM 0 HE2 LYS A 44 0.754 16.068 -2.573 1.00 3.55 H new ATOM 0 HE3 LYS A 44 0.131 14.495 -3.029 1.00 3.55 H new ATOM 0 HZ1 LYS A 44 2.505 14.427 -2.666 1.00 3.97 H new ATOM 0 HZ2 LYS A 44 2.157 14.091 -4.294 1.00 3.97 H new ATOM 0 HZ3 LYS A 44 2.760 15.615 -3.851 1.00 3.97 H new ATOM 333 N THR A 45 -1.877 14.093 -1.130 1.00 1.26 N ATOM 334 CA THR A 45 -1.889 14.536 0.258 1.00 1.25 C ATOM 335 C THR A 45 -0.663 14.014 1.013 1.00 1.10 C ATOM 336 O THR A 45 -0.211 14.632 1.981 1.00 1.73 O ATOM 337 CB THR A 45 -3.177 14.095 0.995 1.00 1.42 C ATOM 338 OG1 THR A 45 -3.185 14.608 2.334 1.00 1.60 O ATOM 339 CG2 THR A 45 -3.301 12.577 1.037 1.00 1.55 C ATOM 0 H THR A 45 -1.413 13.198 -1.282 1.00 1.26 H new ATOM 0 HA THR A 45 -1.862 15.625 0.239 1.00 1.25 H new ATOM 0 HB THR A 45 -4.026 14.498 0.442 1.00 1.42 H new ATOM 0 HG1 THR A 45 -4.005 14.323 2.788 1.00 1.60 H new ATOM 0 HG21 THR A 45 -4.216 12.301 1.561 1.00 1.55 H new ATOM 0 HG22 THR A 45 -3.334 12.186 0.020 1.00 1.55 H new ATOM 0 HG23 THR A 45 -2.442 12.156 1.560 1.00 1.55 H new ATOM 347 N GLY A 46 -0.117 12.891 0.562 1.00 0.82 N ATOM 348 CA GLY A 46 1.008 12.292 1.251 1.00 0.77 C ATOM 349 C GLY A 46 0.610 11.027 1.980 1.00 0.64 C ATOM 350 O GLY A 46 1.235 10.641 2.970 1.00 0.67 O ATOM 0 H GLY A 46 -0.433 12.386 -0.266 1.00 0.82 H new ATOM 0 HA2 GLY A 46 1.796 12.065 0.533 1.00 0.77 H new ATOM 0 HA3 GLY A 46 1.422 13.007 1.962 1.00 0.77 H new ATOM 354 N SER A 47 -0.442 10.385 1.490 1.00 0.55 N ATOM 355 CA SER A 47 -0.926 9.140 2.060 1.00 0.54 C ATOM 356 C SER A 47 -1.861 8.456 1.074 1.00 0.49 C ATOM 357 O SER A 47 -2.308 9.074 0.107 1.00 0.55 O ATOM 358 CB SER A 47 -1.628 9.387 3.400 1.00 0.68 C ATOM 359 OG SER A 47 -2.669 10.337 3.273 1.00 1.33 O ATOM 0 H SER A 47 -0.981 10.713 0.689 1.00 0.55 H new ATOM 0 HA SER A 47 -0.075 8.486 2.251 1.00 0.54 H new ATOM 0 HB2 SER A 47 -2.034 8.449 3.777 1.00 0.68 H new ATOM 0 HB3 SER A 47 -0.902 9.738 4.133 1.00 0.68 H new ATOM 0 HG SER A 47 -3.098 10.471 4.144 1.00 1.33 H new ATOM 365 N ILE A 48 -2.154 7.187 1.313 1.00 0.45 N ATOM 366 CA ILE A 48 -2.941 6.406 0.373 1.00 0.45 C ATOM 367 C ILE A 48 -4.372 6.221 0.867 1.00 0.47 C ATOM 368 O ILE A 48 -4.600 5.885 2.032 1.00 0.52 O ATOM 369 CB ILE A 48 -2.306 5.015 0.134 1.00 0.51 C ATOM 370 CG1 ILE A 48 -0.861 5.156 -0.360 1.00 0.67 C ATOM 371 CG2 ILE A 48 -3.135 4.207 -0.859 1.00 1.11 C ATOM 372 CD1 ILE A 48 -0.732 5.915 -1.665 1.00 0.74 C ATOM 0 H ILE A 48 -1.860 6.678 2.147 1.00 0.45 H new ATOM 0 HA ILE A 48 -2.956 6.961 -0.565 1.00 0.45 H new ATOM 0 HB ILE A 48 -2.293 4.480 1.084 1.00 0.51 H new ATOM 0 HG12 ILE A 48 -0.273 5.664 0.405 1.00 0.67 H new ATOM 0 HG13 ILE A 48 -0.431 4.162 -0.484 1.00 0.67 H new ATOM 0 HG21 ILE A 48 -2.671 3.233 -1.013 1.00 1.11 H new ATOM 0 HG22 ILE A 48 -4.143 4.071 -0.466 1.00 1.11 H new ATOM 0 HG23 ILE A 48 -3.185 4.739 -1.809 1.00 1.11 H new ATOM 0 HD11 ILE A 48 0.319 5.973 -1.950 1.00 0.74 H new ATOM 0 HD12 ILE A 48 -1.291 5.397 -2.444 1.00 0.74 H new ATOM 0 HD13 ILE A 48 -1.131 6.922 -1.541 1.00 0.74 H new ATOM 384 N ASP A 49 -5.322 6.440 -0.035 1.00 0.50 N ATOM 385 CA ASP A 49 -6.734 6.220 0.247 1.00 0.57 C ATOM 386 C ASP A 49 -7.176 4.905 -0.390 1.00 0.54 C ATOM 387 O ASP A 49 -6.616 4.481 -1.401 1.00 0.51 O ATOM 388 CB ASP A 49 -7.564 7.387 -0.305 1.00 0.71 C ATOM 389 CG ASP A 49 -9.063 7.199 -0.157 1.00 0.87 C ATOM 390 OD1 ASP A 49 -9.659 6.449 -0.961 1.00 0.87 O ATOM 391 OD2 ASP A 49 -9.665 7.837 0.730 1.00 1.51 O ATOM 0 H ASP A 49 -5.135 6.774 -0.980 1.00 0.50 H new ATOM 0 HA ASP A 49 -6.888 6.164 1.325 1.00 0.57 H new ATOM 0 HB2 ASP A 49 -7.270 8.303 0.207 1.00 0.71 H new ATOM 0 HB3 ASP A 49 -7.327 7.522 -1.360 1.00 0.71 H new ATOM 396 N TYR A 50 -8.183 4.272 0.196 1.00 0.63 N ATOM 397 CA TYR A 50 -8.614 2.942 -0.223 1.00 0.68 C ATOM 398 C TYR A 50 -9.039 2.878 -1.692 1.00 0.67 C ATOM 399 O TYR A 50 -8.892 1.834 -2.329 1.00 0.75 O ATOM 400 CB TYR A 50 -9.748 2.437 0.677 1.00 0.88 C ATOM 401 CG TYR A 50 -10.837 3.461 0.936 1.00 1.36 C ATOM 402 CD1 TYR A 50 -11.903 3.619 0.056 1.00 1.73 C ATOM 403 CD2 TYR A 50 -10.790 4.273 2.062 1.00 1.76 C ATOM 404 CE1 TYR A 50 -12.882 4.564 0.291 1.00 2.37 C ATOM 405 CE2 TYR A 50 -11.767 5.216 2.304 1.00 2.45 C ATOM 406 CZ TYR A 50 -12.811 5.356 1.417 1.00 2.72 C ATOM 407 OH TYR A 50 -13.779 6.306 1.650 1.00 3.44 O ATOM 0 H TYR A 50 -8.722 4.661 0.970 1.00 0.63 H new ATOM 0 HA TYR A 50 -7.745 2.292 -0.120 1.00 0.68 H new ATOM 0 HB2 TYR A 50 -10.195 1.555 0.219 1.00 0.88 H new ATOM 0 HB3 TYR A 50 -9.327 2.121 1.631 1.00 0.88 H new ATOM 0 HD1 TYR A 50 -11.966 2.994 -0.823 1.00 1.73 H new ATOM 0 HD2 TYR A 50 -9.974 4.164 2.761 1.00 1.76 H new ATOM 0 HE1 TYR A 50 -13.700 4.682 -0.404 1.00 2.37 H new ATOM 0 HE2 TYR A 50 -11.714 5.841 3.183 1.00 2.45 H new ATOM 0 HH TYR A 50 -13.581 6.777 2.487 1.00 3.44 H new ATOM 417 N HIS A 51 -9.545 3.975 -2.250 1.00 0.68 N ATOM 418 CA HIS A 51 -10.021 3.924 -3.625 1.00 0.81 C ATOM 419 C HIS A 51 -8.853 3.986 -4.611 1.00 0.70 C ATOM 420 O HIS A 51 -8.974 3.533 -5.749 1.00 0.73 O ATOM 421 CB HIS A 51 -11.084 5.005 -3.926 1.00 1.08 C ATOM 422 CG HIS A 51 -10.583 6.407 -4.141 1.00 1.40 C ATOM 423 ND1 HIS A 51 -10.914 7.454 -3.308 1.00 2.17 N ATOM 424 CD2 HIS A 51 -9.846 6.948 -5.139 1.00 1.97 C ATOM 425 CE1 HIS A 51 -10.408 8.573 -3.786 1.00 2.73 C ATOM 426 NE2 HIS A 51 -9.757 8.294 -4.895 1.00 2.56 N ATOM 0 H HIS A 51 -9.634 4.880 -1.788 1.00 0.68 H new ATOM 0 HA HIS A 51 -10.520 2.964 -3.755 1.00 0.81 H new ATOM 0 HB2 HIS A 51 -11.635 4.701 -4.816 1.00 1.08 H new ATOM 0 HB3 HIS A 51 -11.795 5.021 -3.100 1.00 1.08 H new ATOM 0 HD2 HIS A 51 -9.409 6.418 -5.972 1.00 1.97 H new ATOM 0 HE1 HIS A 51 -10.510 9.553 -3.343 1.00 2.73 H new ATOM 0 HE2 HIS A 51 -9.265 8.970 -5.479 1.00 2.56 H new ATOM 435 N GLU A 52 -7.721 4.532 -4.175 1.00 0.68 N ATOM 436 CA GLU A 52 -6.539 4.570 -5.029 1.00 0.69 C ATOM 437 C GLU A 52 -5.610 3.404 -4.696 1.00 0.55 C ATOM 438 O GLU A 52 -4.610 3.183 -5.371 1.00 0.56 O ATOM 439 CB GLU A 52 -5.814 5.913 -4.925 1.00 0.92 C ATOM 440 CG GLU A 52 -5.057 6.131 -3.632 1.00 0.72 C ATOM 441 CD GLU A 52 -4.685 7.581 -3.435 1.00 0.85 C ATOM 442 OE1 GLU A 52 -4.079 8.184 -4.344 1.00 1.21 O ATOM 443 OE2 GLU A 52 -5.028 8.136 -2.376 1.00 1.19 O ATOM 0 H GLU A 52 -7.598 4.947 -3.252 1.00 0.68 H new ATOM 0 HA GLU A 52 -6.862 4.465 -6.065 1.00 0.69 H new ATOM 0 HB2 GLU A 52 -5.115 5.997 -5.757 1.00 0.92 H new ATOM 0 HB3 GLU A 52 -6.545 6.714 -5.041 1.00 0.92 H new ATOM 0 HG2 GLU A 52 -5.667 5.796 -2.793 1.00 0.72 H new ATOM 0 HG3 GLU A 52 -4.153 5.521 -3.633 1.00 0.72 H new ATOM 450 N LEU A 53 -5.953 2.651 -3.655 1.00 0.51 N ATOM 451 CA LEU A 53 -5.238 1.420 -3.329 1.00 0.48 C ATOM 452 C LEU A 53 -5.366 0.454 -4.508 1.00 0.42 C ATOM 453 O LEU A 53 -4.480 -0.354 -4.782 1.00 0.44 O ATOM 454 CB LEU A 53 -5.836 0.785 -2.061 1.00 0.55 C ATOM 455 CG LEU A 53 -4.872 0.000 -1.156 1.00 0.59 C ATOM 456 CD1 LEU A 53 -5.635 -0.665 -0.028 1.00 1.23 C ATOM 457 CD2 LEU A 53 -4.090 -1.038 -1.929 1.00 1.41 C ATOM 0 H LEU A 53 -6.722 2.871 -3.022 1.00 0.51 H new ATOM 0 HA LEU A 53 -4.187 1.640 -3.143 1.00 0.48 H new ATOM 0 HB2 LEU A 53 -6.290 1.578 -1.466 1.00 0.55 H new ATOM 0 HB3 LEU A 53 -6.639 0.114 -2.364 1.00 0.55 H new ATOM 0 HG LEU A 53 -4.160 0.714 -0.743 1.00 0.59 H new ATOM 0 HD11 LEU A 53 -4.940 -1.217 0.605 1.00 1.23 H new ATOM 0 HD12 LEU A 53 -6.142 0.095 0.566 1.00 1.23 H new ATOM 0 HD13 LEU A 53 -6.372 -1.352 -0.443 1.00 1.23 H new ATOM 0 HD21 LEU A 53 -3.421 -1.569 -1.251 1.00 1.41 H new ATOM 0 HD22 LEU A 53 -4.780 -1.747 -2.387 1.00 1.41 H new ATOM 0 HD23 LEU A 53 -3.504 -0.548 -2.706 1.00 1.41 H new ATOM 469 N LYS A 54 -6.471 0.587 -5.225 1.00 0.44 N ATOM 470 CA LYS A 54 -6.802 -0.296 -6.331 1.00 0.47 C ATOM 471 C LYS A 54 -5.753 -0.244 -7.444 1.00 0.45 C ATOM 472 O LYS A 54 -5.475 -1.261 -8.077 1.00 0.55 O ATOM 473 CB LYS A 54 -8.186 0.063 -6.867 1.00 0.59 C ATOM 474 CG LYS A 54 -9.274 -0.041 -5.805 1.00 1.36 C ATOM 475 CD LYS A 54 -10.605 0.512 -6.297 1.00 1.61 C ATOM 476 CE LYS A 54 -11.146 -0.266 -7.484 1.00 1.79 C ATOM 477 NZ LYS A 54 -12.381 0.358 -8.029 1.00 2.47 N ATOM 0 H LYS A 54 -7.166 1.314 -5.055 1.00 0.44 H new ATOM 0 HA LYS A 54 -6.810 -1.321 -5.960 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -8.166 1.079 -7.262 1.00 0.59 H new ATOM 0 HB3 LYS A 54 -8.432 -0.598 -7.699 1.00 0.59 H new ATOM 0 HG2 LYS A 54 -9.400 -1.084 -5.515 1.00 1.36 H new ATOM 0 HG3 LYS A 54 -8.963 0.502 -4.913 1.00 1.36 H new ATOM 0 HD2 LYS A 54 -11.331 0.483 -5.485 1.00 1.61 H new ATOM 0 HD3 LYS A 54 -10.481 1.558 -6.577 1.00 1.61 H new ATOM 0 HE2 LYS A 54 -10.387 -0.315 -8.265 1.00 1.79 H new ATOM 0 HE3 LYS A 54 -11.358 -1.291 -7.182 1.00 1.79 H new ATOM 0 HZ1 LYS A 54 -12.723 -0.199 -8.838 1.00 2.47 H new ATOM 0 HZ2 LYS A 54 -13.113 0.382 -7.291 1.00 2.47 H new ATOM 0 HZ3 LYS A 54 -12.172 1.328 -8.340 1.00 2.47 H new ATOM 491 N VAL A 55 -5.159 0.925 -7.677 1.00 0.44 N ATOM 492 CA VAL A 55 -4.121 1.035 -8.699 1.00 0.48 C ATOM 493 C VAL A 55 -2.811 0.436 -8.195 1.00 0.46 C ATOM 494 O VAL A 55 -2.033 -0.123 -8.971 1.00 0.50 O ATOM 495 CB VAL A 55 -3.886 2.491 -9.167 1.00 0.60 C ATOM 496 CG1 VAL A 55 -5.149 3.072 -9.784 1.00 1.21 C ATOM 497 CG2 VAL A 55 -3.398 3.370 -8.031 1.00 1.16 C ATOM 0 H VAL A 55 -5.373 1.792 -7.184 1.00 0.44 H new ATOM 0 HA VAL A 55 -4.477 0.473 -9.563 1.00 0.48 H new ATOM 0 HB VAL A 55 -3.107 2.467 -9.929 1.00 0.60 H new ATOM 0 HG11 VAL A 55 -4.959 4.096 -10.105 1.00 1.21 H new ATOM 0 HG12 VAL A 55 -5.444 2.471 -10.644 1.00 1.21 H new ATOM 0 HG13 VAL A 55 -5.951 3.066 -9.045 1.00 1.21 H new ATOM 0 HG21 VAL A 55 -3.244 4.385 -8.397 1.00 1.16 H new ATOM 0 HG22 VAL A 55 -4.141 3.381 -7.234 1.00 1.16 H new ATOM 0 HG23 VAL A 55 -2.458 2.977 -7.645 1.00 1.16 H new ATOM 507 N ALA A 56 -2.589 0.531 -6.888 1.00 0.46 N ATOM 508 CA ALA A 56 -1.421 -0.074 -6.268 1.00 0.51 C ATOM 509 C ALA A 56 -1.505 -1.586 -6.375 1.00 0.49 C ATOM 510 O ALA A 56 -0.580 -2.239 -6.860 1.00 0.58 O ATOM 511 CB ALA A 56 -1.304 0.353 -4.814 1.00 0.55 C ATOM 0 H ALA A 56 -3.204 1.022 -6.239 1.00 0.46 H new ATOM 0 HA ALA A 56 -0.529 0.267 -6.793 1.00 0.51 H new ATOM 0 HB1 ALA A 56 -0.424 -0.110 -4.368 1.00 0.55 H new ATOM 0 HB2 ALA A 56 -1.210 1.438 -4.760 1.00 0.55 H new ATOM 0 HB3 ALA A 56 -2.194 0.039 -4.270 1.00 0.55 H new ATOM 517 N MET A 57 -2.633 -2.129 -5.929 1.00 0.44 N ATOM 518 CA MET A 57 -2.904 -3.563 -6.048 1.00 0.49 C ATOM 519 C MET A 57 -2.777 -4.024 -7.492 1.00 0.48 C ATOM 520 O MET A 57 -2.297 -5.125 -7.758 1.00 0.55 O ATOM 521 CB MET A 57 -4.302 -3.890 -5.538 1.00 0.59 C ATOM 522 CG MET A 57 -4.511 -3.511 -4.097 1.00 0.70 C ATOM 523 SD MET A 57 -3.263 -4.222 -3.018 1.00 1.75 S ATOM 524 CE MET A 57 -4.322 -5.001 -1.818 1.00 1.48 C ATOM 0 H MET A 57 -3.379 -1.598 -5.480 1.00 0.44 H new ATOM 0 HA MET A 57 -2.166 -4.088 -5.442 1.00 0.49 H new ATOM 0 HB2 MET A 57 -5.037 -3.371 -6.154 1.00 0.59 H new ATOM 0 HB3 MET A 57 -4.484 -4.958 -5.656 1.00 0.59 H new ATOM 0 HG2 MET A 57 -4.494 -2.425 -4.003 1.00 0.70 H new ATOM 0 HG3 MET A 57 -5.498 -3.843 -3.776 1.00 0.70 H new ATOM 0 HE1 MET A 57 -3.723 -5.628 -1.157 1.00 1.48 H new ATOM 0 HE2 MET A 57 -4.831 -4.236 -1.231 1.00 1.48 H new ATOM 0 HE3 MET A 57 -5.061 -5.617 -2.330 1.00 1.48 H new ATOM 534 N ARG A 58 -3.216 -3.179 -8.416 1.00 0.48 N ATOM 535 CA ARG A 58 -3.130 -3.486 -9.836 1.00 0.55 C ATOM 536 C ARG A 58 -1.674 -3.627 -10.273 1.00 0.59 C ATOM 537 O ARG A 58 -1.274 -4.669 -10.787 1.00 0.68 O ATOM 538 CB ARG A 58 -3.823 -2.395 -10.654 1.00 0.68 C ATOM 539 CG ARG A 58 -3.782 -2.635 -12.154 1.00 1.10 C ATOM 540 CD ARG A 58 -4.526 -1.548 -12.915 1.00 1.25 C ATOM 541 NE ARG A 58 -4.562 -1.817 -14.350 1.00 1.66 N ATOM 542 CZ ARG A 58 -5.486 -1.329 -15.175 1.00 2.15 C ATOM 543 NH1 ARG A 58 -6.412 -0.493 -14.724 1.00 2.27 N ATOM 544 NH2 ARG A 58 -5.467 -1.666 -16.459 1.00 2.97 N ATOM 0 H ARG A 58 -3.636 -2.274 -8.206 1.00 0.48 H new ATOM 0 HA ARG A 58 -3.634 -4.436 -10.013 1.00 0.55 H new ATOM 0 HB2 ARG A 58 -4.863 -2.320 -10.336 1.00 0.68 H new ATOM 0 HB3 ARG A 58 -3.353 -1.436 -10.436 1.00 0.68 H new ATOM 0 HG2 ARG A 58 -2.745 -2.670 -12.489 1.00 1.10 H new ATOM 0 HG3 ARG A 58 -4.223 -3.606 -12.380 1.00 1.10 H new ATOM 0 HD2 ARG A 58 -5.544 -1.470 -12.534 1.00 1.25 H new ATOM 0 HD3 ARG A 58 -4.045 -0.586 -12.738 1.00 1.25 H new ATOM 0 HE ARG A 58 -3.835 -2.415 -14.744 1.00 1.66 H new ATOM 0 HH11 ARG A 58 -6.418 -0.221 -13.741 1.00 2.27 H new ATOM 0 HH12 ARG A 58 -7.118 -0.122 -15.360 1.00 2.27 H new ATOM 0 HH21 ARG A 58 -4.746 -2.297 -16.810 1.00 2.97 H new ATOM 0 HH22 ARG A 58 -6.173 -1.294 -17.094 1.00 2.97 H new ATOM 558 N ALA A 59 -0.887 -2.581 -10.034 1.00 0.60 N ATOM 559 CA ALA A 59 0.510 -2.552 -10.454 1.00 0.72 C ATOM 560 C ALA A 59 1.313 -3.692 -9.831 1.00 0.73 C ATOM 561 O ALA A 59 2.173 -4.284 -10.482 1.00 0.84 O ATOM 562 CB ALA A 59 1.134 -1.211 -10.098 1.00 0.81 C ATOM 0 H ALA A 59 -1.196 -1.739 -9.549 1.00 0.60 H new ATOM 0 HA ALA A 59 0.535 -2.686 -11.535 1.00 0.72 H new ATOM 0 HB1 ALA A 59 2.177 -1.199 -10.415 1.00 0.81 H new ATOM 0 HB2 ALA A 59 0.592 -0.412 -10.603 1.00 0.81 H new ATOM 0 HB3 ALA A 59 1.081 -1.060 -9.020 1.00 0.81 H new ATOM 568 N LEU A 60 1.032 -3.991 -8.572 1.00 0.68 N ATOM 569 CA LEU A 60 1.708 -5.076 -7.873 1.00 0.78 C ATOM 570 C LEU A 60 1.244 -6.427 -8.396 1.00 0.78 C ATOM 571 O LEU A 60 2.058 -7.309 -8.686 1.00 0.96 O ATOM 572 CB LEU A 60 1.431 -4.993 -6.376 1.00 0.80 C ATOM 573 CG LEU A 60 1.878 -3.699 -5.700 1.00 0.95 C ATOM 574 CD1 LEU A 60 1.306 -3.628 -4.298 1.00 1.82 C ATOM 575 CD2 LEU A 60 3.398 -3.609 -5.662 1.00 1.32 C ATOM 0 H LEU A 60 0.338 -3.496 -8.011 1.00 0.68 H new ATOM 0 HA LEU A 60 2.779 -4.976 -8.051 1.00 0.78 H new ATOM 0 HB2 LEU A 60 0.360 -5.117 -6.214 1.00 0.80 H new ATOM 0 HB3 LEU A 60 1.927 -5.830 -5.885 1.00 0.80 H new ATOM 0 HG LEU A 60 1.504 -2.854 -6.278 1.00 0.95 H new ATOM 0 HD11 LEU A 60 1.628 -2.703 -3.820 1.00 1.82 H new ATOM 0 HD12 LEU A 60 0.217 -3.651 -4.348 1.00 1.82 H new ATOM 0 HD13 LEU A 60 1.661 -4.479 -3.717 1.00 1.82 H new ATOM 0 HD21 LEU A 60 3.695 -2.680 -5.176 1.00 1.32 H new ATOM 0 HD22 LEU A 60 3.799 -4.455 -5.103 1.00 1.32 H new ATOM 0 HD23 LEU A 60 3.789 -3.628 -6.679 1.00 1.32 H new ATOM 587 N GLY A 61 -0.063 -6.575 -8.527 1.00 0.68 N ATOM 588 CA GLY A 61 -0.627 -7.824 -8.975 1.00 0.72 C ATOM 589 C GLY A 61 -1.391 -8.539 -7.882 1.00 0.75 C ATOM 590 O GLY A 61 -0.981 -9.604 -7.417 1.00 0.96 O ATOM 0 H GLY A 61 -0.747 -5.845 -8.329 1.00 0.68 H new ATOM 0 HA2 GLY A 61 -1.293 -7.637 -9.817 1.00 0.72 H new ATOM 0 HA3 GLY A 61 0.172 -8.470 -9.338 1.00 0.72 H new ATOM 594 N PHE A 62 -2.497 -7.944 -7.455 1.00 0.72 N ATOM 595 CA PHE A 62 -3.354 -8.557 -6.451 1.00 0.80 C ATOM 596 C PHE A 62 -4.771 -8.731 -6.977 1.00 0.89 C ATOM 597 O PHE A 62 -5.280 -7.894 -7.727 1.00 1.01 O ATOM 598 CB PHE A 62 -3.389 -7.726 -5.167 1.00 0.78 C ATOM 599 CG PHE A 62 -2.118 -7.772 -4.370 1.00 0.80 C ATOM 600 CD1 PHE A 62 -1.709 -8.945 -3.765 1.00 0.97 C ATOM 601 CD2 PHE A 62 -1.325 -6.643 -4.239 1.00 0.80 C ATOM 602 CE1 PHE A 62 -0.534 -8.994 -3.043 1.00 1.08 C ATOM 603 CE2 PHE A 62 -0.149 -6.685 -3.516 1.00 0.91 C ATOM 604 CZ PHE A 62 0.219 -7.849 -2.873 1.00 1.03 C ATOM 0 H PHE A 62 -2.821 -7.037 -7.789 1.00 0.72 H new ATOM 0 HA PHE A 62 -2.933 -9.537 -6.225 1.00 0.80 H new ATOM 0 HB2 PHE A 62 -3.606 -6.689 -5.424 1.00 0.78 H new ATOM 0 HB3 PHE A 62 -4.210 -8.078 -4.542 1.00 0.78 H new ATOM 0 HD1 PHE A 62 -2.316 -9.834 -3.858 1.00 0.97 H new ATOM 0 HD2 PHE A 62 -1.630 -5.719 -4.708 1.00 0.80 H new ATOM 0 HE1 PHE A 62 -0.204 -9.927 -2.611 1.00 1.08 H new ATOM 0 HE2 PHE A 62 0.480 -5.810 -3.454 1.00 0.91 H new ATOM 0 HZ PHE A 62 1.093 -7.865 -2.239 1.00 1.03 H new ATOM 614 N ASP A 63 -5.399 -9.819 -6.566 1.00 1.21 N ATOM 615 CA ASP A 63 -6.766 -10.138 -6.957 1.00 1.42 C ATOM 616 C ASP A 63 -7.715 -9.859 -5.799 1.00 1.36 C ATOM 617 O ASP A 63 -8.804 -10.423 -5.721 1.00 1.98 O ATOM 618 CB ASP A 63 -6.859 -11.614 -7.356 1.00 1.81 C ATOM 619 CG ASP A 63 -6.618 -12.557 -6.186 1.00 2.36 C ATOM 620 OD1 ASP A 63 -5.752 -12.256 -5.332 1.00 2.85 O ATOM 621 OD2 ASP A 63 -7.284 -13.614 -6.124 1.00 2.74 O ATOM 0 H ASP A 63 -4.975 -10.511 -5.948 1.00 1.21 H new ATOM 0 HA ASP A 63 -7.047 -9.517 -7.807 1.00 1.42 H new ATOM 0 HB2 ASP A 63 -7.845 -11.810 -7.778 1.00 1.81 H new ATOM 0 HB3 ASP A 63 -6.130 -11.821 -8.140 1.00 1.81 H new ATOM 626 N VAL A 64 -7.299 -8.950 -4.925 1.00 0.90 N ATOM 627 CA VAL A 64 -7.995 -8.692 -3.666 1.00 0.93 C ATOM 628 C VAL A 64 -9.415 -8.177 -3.865 1.00 0.86 C ATOM 629 O VAL A 64 -10.292 -8.445 -3.043 1.00 0.95 O ATOM 630 CB VAL A 64 -7.205 -7.697 -2.789 1.00 1.16 C ATOM 631 CG1 VAL A 64 -5.874 -8.300 -2.371 1.00 1.35 C ATOM 632 CG2 VAL A 64 -6.988 -6.382 -3.523 1.00 1.33 C ATOM 0 H VAL A 64 -6.471 -8.371 -5.067 1.00 0.90 H new ATOM 0 HA VAL A 64 -8.062 -9.655 -3.160 1.00 0.93 H new ATOM 0 HB VAL A 64 -7.791 -7.492 -1.893 1.00 1.16 H new ATOM 0 HG11 VAL A 64 -5.329 -7.586 -1.753 1.00 1.35 H new ATOM 0 HG12 VAL A 64 -6.051 -9.212 -1.801 1.00 1.35 H new ATOM 0 HG13 VAL A 64 -5.286 -8.535 -3.258 1.00 1.35 H new ATOM 0 HG21 VAL A 64 -6.429 -5.697 -2.885 1.00 1.33 H new ATOM 0 HG22 VAL A 64 -6.426 -6.565 -4.439 1.00 1.33 H new ATOM 0 HG23 VAL A 64 -7.953 -5.941 -3.772 1.00 1.33 H new ATOM 642 N LYS A 65 -9.634 -7.446 -4.950 1.00 0.88 N ATOM 643 CA LYS A 65 -10.938 -6.847 -5.229 1.00 0.94 C ATOM 644 C LYS A 65 -11.331 -5.906 -4.089 1.00 0.80 C ATOM 645 O LYS A 65 -10.474 -5.464 -3.328 1.00 0.74 O ATOM 646 CB LYS A 65 -12.005 -7.934 -5.431 1.00 1.18 C ATOM 647 CG LYS A 65 -11.731 -8.886 -6.591 1.00 1.54 C ATOM 648 CD LYS A 65 -11.561 -8.150 -7.915 1.00 1.58 C ATOM 649 CE LYS A 65 -10.105 -7.808 -8.190 1.00 1.75 C ATOM 650 NZ LYS A 65 -9.949 -6.940 -9.386 1.00 2.52 N ATOM 0 H LYS A 65 -8.924 -7.251 -5.656 1.00 0.88 H new ATOM 0 HA LYS A 65 -10.870 -6.271 -6.152 1.00 0.94 H new ATOM 0 HB2 LYS A 65 -12.090 -8.516 -4.513 1.00 1.18 H new ATOM 0 HB3 LYS A 65 -12.969 -7.452 -5.594 1.00 1.18 H new ATOM 0 HG2 LYS A 65 -10.830 -9.463 -6.380 1.00 1.54 H new ATOM 0 HG3 LYS A 65 -12.552 -9.597 -6.676 1.00 1.54 H new ATOM 0 HD2 LYS A 65 -11.949 -8.767 -8.726 1.00 1.58 H new ATOM 0 HD3 LYS A 65 -12.153 -7.235 -7.900 1.00 1.58 H new ATOM 0 HE2 LYS A 65 -9.681 -7.305 -7.321 1.00 1.75 H new ATOM 0 HE3 LYS A 65 -9.538 -8.728 -8.334 1.00 1.75 H new ATOM 0 HZ1 LYS A 65 -8.941 -6.733 -9.535 1.00 2.52 H new ATOM 0 HZ2 LYS A 65 -10.329 -7.429 -10.222 1.00 2.52 H new ATOM 0 HZ3 LYS A 65 -10.467 -6.050 -9.239 1.00 2.52 H new ATOM 664 N LYS A 66 -12.615 -5.591 -3.971 1.00 0.87 N ATOM 665 CA LYS A 66 -13.079 -4.694 -2.915 1.00 0.86 C ATOM 666 C LYS A 66 -12.964 -5.319 -1.517 1.00 0.77 C ATOM 667 O LYS A 66 -12.344 -4.721 -0.641 1.00 0.71 O ATOM 668 CB LYS A 66 -14.519 -4.236 -3.162 1.00 1.09 C ATOM 669 CG LYS A 66 -14.684 -3.374 -4.401 1.00 1.44 C ATOM 670 CD LYS A 66 -16.094 -2.812 -4.504 1.00 1.88 C ATOM 671 CE LYS A 66 -17.138 -3.911 -4.615 1.00 2.34 C ATOM 672 NZ LYS A 66 -16.911 -4.775 -5.804 1.00 2.94 N ATOM 0 H LYS A 66 -13.350 -5.939 -4.587 1.00 0.87 H new ATOM 0 HA LYS A 66 -12.420 -3.826 -2.947 1.00 0.86 H new ATOM 0 HB2 LYS A 66 -15.159 -5.114 -3.254 1.00 1.09 H new ATOM 0 HB3 LYS A 66 -14.867 -3.677 -2.293 1.00 1.09 H new ATOM 0 HG2 LYS A 66 -13.965 -2.555 -4.374 1.00 1.44 H new ATOM 0 HG3 LYS A 66 -14.461 -3.965 -5.289 1.00 1.44 H new ATOM 0 HD2 LYS A 66 -16.305 -2.199 -3.628 1.00 1.88 H new ATOM 0 HD3 LYS A 66 -16.161 -2.159 -5.374 1.00 1.88 H new ATOM 0 HE2 LYS A 66 -17.118 -4.523 -3.713 1.00 2.34 H new ATOM 0 HE3 LYS A 66 -18.130 -3.464 -4.675 1.00 2.34 H new ATOM 0 HZ1 LYS A 66 -17.738 -5.389 -5.950 1.00 2.94 H new ATOM 0 HZ2 LYS A 66 -16.769 -4.179 -6.644 1.00 2.94 H new ATOM 0 HZ3 LYS A 66 -16.067 -5.363 -5.650 1.00 2.94 H new ATOM 686 N PRO A 67 -13.538 -6.526 -1.283 1.00 0.88 N ATOM 687 CA PRO A 67 -13.607 -7.129 0.061 1.00 0.94 C ATOM 688 C PRO A 67 -12.262 -7.172 0.790 1.00 0.86 C ATOM 689 O PRO A 67 -12.185 -6.883 1.985 1.00 0.89 O ATOM 690 CB PRO A 67 -14.116 -8.557 -0.198 1.00 1.14 C ATOM 691 CG PRO A 67 -13.994 -8.763 -1.666 1.00 1.21 C ATOM 692 CD PRO A 67 -14.159 -7.412 -2.282 1.00 1.05 C ATOM 0 HA PRO A 67 -14.249 -6.537 0.713 1.00 0.94 H new ATOM 0 HB2 PRO A 67 -13.525 -9.290 0.351 1.00 1.14 H new ATOM 0 HB3 PRO A 67 -15.149 -8.671 0.130 1.00 1.14 H new ATOM 0 HG2 PRO A 67 -13.026 -9.193 -1.921 1.00 1.21 H new ATOM 0 HG3 PRO A 67 -14.755 -9.454 -2.029 1.00 1.21 H new ATOM 0 HD2 PRO A 67 -13.661 -7.344 -3.249 1.00 1.05 H new ATOM 0 HD3 PRO A 67 -15.208 -7.166 -2.445 1.00 1.05 H new ATOM 700 N GLU A 68 -11.205 -7.515 0.077 1.00 0.82 N ATOM 701 CA GLU A 68 -9.902 -7.655 0.705 1.00 0.81 C ATOM 702 C GLU A 68 -9.162 -6.316 0.756 1.00 0.68 C ATOM 703 O GLU A 68 -8.327 -6.100 1.629 1.00 0.72 O ATOM 704 CB GLU A 68 -9.056 -8.688 -0.040 1.00 0.91 C ATOM 705 CG GLU A 68 -9.758 -10.020 -0.260 1.00 1.63 C ATOM 706 CD GLU A 68 -10.142 -10.713 1.030 1.00 1.76 C ATOM 707 OE1 GLU A 68 -11.257 -10.472 1.530 1.00 2.38 O ATOM 708 OE2 GLU A 68 -9.337 -11.520 1.540 1.00 1.77 O ATOM 0 H GLU A 68 -11.220 -7.700 -0.926 1.00 0.82 H new ATOM 0 HA GLU A 68 -10.064 -7.996 1.728 1.00 0.81 H new ATOM 0 HB2 GLU A 68 -8.768 -8.277 -1.007 1.00 0.91 H new ATOM 0 HB3 GLU A 68 -8.137 -8.861 0.520 1.00 0.91 H new ATOM 0 HG2 GLU A 68 -10.655 -9.856 -0.858 1.00 1.63 H new ATOM 0 HG3 GLU A 68 -9.106 -10.676 -0.837 1.00 1.63 H new ATOM 715 N ILE A 69 -9.489 -5.409 -0.164 1.00 0.65 N ATOM 716 CA ILE A 69 -8.746 -4.158 -0.299 1.00 0.63 C ATOM 717 C ILE A 69 -9.107 -3.162 0.798 1.00 0.58 C ATOM 718 O ILE A 69 -8.226 -2.491 1.336 1.00 0.61 O ATOM 719 CB ILE A 69 -8.941 -3.530 -1.703 1.00 0.72 C ATOM 720 CG1 ILE A 69 -7.741 -2.663 -2.063 1.00 0.76 C ATOM 721 CG2 ILE A 69 -10.225 -2.709 -1.792 1.00 1.23 C ATOM 722 CD1 ILE A 69 -7.713 -2.269 -3.518 1.00 0.95 C ATOM 0 H ILE A 69 -10.260 -5.517 -0.824 1.00 0.65 H new ATOM 0 HA ILE A 69 -7.690 -4.403 -0.185 1.00 0.63 H new ATOM 0 HB ILE A 69 -9.025 -4.350 -2.417 1.00 0.72 H new ATOM 0 HG12 ILE A 69 -7.753 -1.763 -1.449 1.00 0.76 H new ATOM 0 HG13 ILE A 69 -6.825 -3.202 -1.821 1.00 0.76 H new ATOM 0 HG21 ILE A 69 -10.319 -2.289 -2.793 1.00 1.23 H new ATOM 0 HG22 ILE A 69 -11.082 -3.350 -1.585 1.00 1.23 H new ATOM 0 HG23 ILE A 69 -10.192 -1.901 -1.061 1.00 1.23 H new ATOM 0 HD11 ILE A 69 -6.835 -1.653 -3.711 1.00 0.95 H new ATOM 0 HD12 ILE A 69 -7.671 -3.165 -4.137 1.00 0.95 H new ATOM 0 HD13 ILE A 69 -8.613 -1.704 -3.759 1.00 0.95 H new ATOM 734 N LEU A 70 -10.382 -3.078 1.164 1.00 0.60 N ATOM 735 CA LEU A 70 -10.762 -2.157 2.217 1.00 0.63 C ATOM 736 C LEU A 70 -10.389 -2.755 3.565 1.00 0.63 C ATOM 737 O LEU A 70 -9.995 -2.035 4.474 1.00 0.68 O ATOM 738 CB LEU A 70 -12.260 -1.740 2.143 1.00 0.77 C ATOM 739 CG LEU A 70 -13.324 -2.681 2.743 1.00 0.82 C ATOM 740 CD1 LEU A 70 -13.194 -4.080 2.196 1.00 1.13 C ATOM 741 CD2 LEU A 70 -13.265 -2.689 4.261 1.00 1.08 C ATOM 0 H LEU A 70 -11.145 -3.620 0.759 1.00 0.60 H new ATOM 0 HA LEU A 70 -10.207 -1.229 2.080 1.00 0.63 H new ATOM 0 HB2 LEU A 70 -12.358 -0.773 2.637 1.00 0.77 H new ATOM 0 HB3 LEU A 70 -12.509 -1.588 1.093 1.00 0.77 H new ATOM 0 HG LEU A 70 -14.299 -2.295 2.447 1.00 0.82 H new ATOM 0 HD11 LEU A 70 -13.959 -4.717 2.640 1.00 1.13 H new ATOM 0 HD12 LEU A 70 -13.321 -4.061 1.114 1.00 1.13 H new ATOM 0 HD13 LEU A 70 -12.208 -4.475 2.438 1.00 1.13 H new ATOM 0 HD21 LEU A 70 -14.028 -3.362 4.651 1.00 1.08 H new ATOM 0 HD22 LEU A 70 -12.281 -3.029 4.585 1.00 1.08 H new ATOM 0 HD23 LEU A 70 -13.443 -1.682 4.637 1.00 1.08 H new ATOM 753 N GLU A 71 -10.496 -4.080 3.691 1.00 0.64 N ATOM 754 CA GLU A 71 -10.135 -4.746 4.932 1.00 0.70 C ATOM 755 C GLU A 71 -8.635 -4.669 5.132 1.00 0.65 C ATOM 756 O GLU A 71 -8.155 -4.538 6.255 1.00 0.70 O ATOM 757 CB GLU A 71 -10.613 -6.200 4.946 1.00 0.85 C ATOM 758 CG GLU A 71 -10.260 -6.944 6.227 1.00 1.17 C ATOM 759 CD GLU A 71 -10.629 -6.172 7.482 1.00 1.22 C ATOM 760 OE1 GLU A 71 -11.835 -5.956 7.725 1.00 1.66 O ATOM 761 OE2 GLU A 71 -9.709 -5.762 8.230 1.00 1.61 O ATOM 0 H GLU A 71 -10.827 -4.702 2.954 1.00 0.64 H new ATOM 0 HA GLU A 71 -10.632 -4.235 5.757 1.00 0.70 H new ATOM 0 HB2 GLU A 71 -11.694 -6.220 4.810 1.00 0.85 H new ATOM 0 HB3 GLU A 71 -10.175 -6.726 4.098 1.00 0.85 H new ATOM 0 HG2 GLU A 71 -10.772 -7.906 6.235 1.00 1.17 H new ATOM 0 HG3 GLU A 71 -9.190 -7.153 6.237 1.00 1.17 H new ATOM 768 N LEU A 72 -7.895 -4.705 4.033 1.00 0.62 N ATOM 769 CA LEU A 72 -6.460 -4.536 4.103 1.00 0.68 C ATOM 770 C LEU A 72 -6.133 -3.188 4.726 1.00 0.67 C ATOM 771 O LEU A 72 -5.127 -3.030 5.397 1.00 0.74 O ATOM 772 CB LEU A 72 -5.813 -4.674 2.714 1.00 0.74 C ATOM 773 CG LEU A 72 -4.285 -4.507 2.671 1.00 0.92 C ATOM 774 CD1 LEU A 72 -3.691 -5.384 1.584 1.00 1.07 C ATOM 775 CD2 LEU A 72 -3.904 -3.053 2.427 1.00 1.01 C ATOM 0 H LEU A 72 -8.265 -4.849 3.093 1.00 0.62 H new ATOM 0 HA LEU A 72 -6.047 -5.325 4.731 1.00 0.68 H new ATOM 0 HB2 LEU A 72 -6.064 -5.656 2.312 1.00 0.74 H new ATOM 0 HB3 LEU A 72 -6.260 -3.934 2.050 1.00 0.74 H new ATOM 0 HG LEU A 72 -3.884 -4.813 3.637 1.00 0.92 H new ATOM 0 HD11 LEU A 72 -2.609 -5.256 1.564 1.00 1.07 H new ATOM 0 HD12 LEU A 72 -3.929 -6.428 1.788 1.00 1.07 H new ATOM 0 HD13 LEU A 72 -4.108 -5.099 0.618 1.00 1.07 H new ATOM 0 HD21 LEU A 72 -2.818 -2.961 2.401 1.00 1.01 H new ATOM 0 HD22 LEU A 72 -4.319 -2.723 1.475 1.00 1.01 H new ATOM 0 HD23 LEU A 72 -4.301 -2.433 3.231 1.00 1.01 H new ATOM 787 N MET A 73 -7.008 -2.220 4.533 1.00 0.70 N ATOM 788 CA MET A 73 -6.806 -0.919 5.126 1.00 0.82 C ATOM 789 C MET A 73 -7.453 -0.863 6.487 1.00 0.85 C ATOM 790 O MET A 73 -6.947 -0.227 7.386 1.00 1.02 O ATOM 791 CB MET A 73 -7.343 0.195 4.235 1.00 0.96 C ATOM 792 CG MET A 73 -6.454 0.480 3.042 1.00 0.98 C ATOM 793 SD MET A 73 -6.783 2.085 2.308 1.00 1.29 S ATOM 794 CE MET A 73 -6.586 3.140 3.739 1.00 0.76 C ATOM 0 H MET A 73 -7.857 -2.311 3.975 1.00 0.70 H new ATOM 0 HA MET A 73 -5.732 -0.764 5.234 1.00 0.82 H new ATOM 0 HB2 MET A 73 -8.338 -0.077 3.883 1.00 0.96 H new ATOM 0 HB3 MET A 73 -7.452 1.105 4.826 1.00 0.96 H new ATOM 0 HG2 MET A 73 -5.410 0.433 3.351 1.00 0.98 H new ATOM 0 HG3 MET A 73 -6.599 -0.296 2.291 1.00 0.98 H new ATOM 0 HE1 MET A 73 -7.548 3.578 4.003 1.00 0.76 H new ATOM 0 HE2 MET A 73 -6.213 2.551 4.577 1.00 0.76 H new ATOM 0 HE3 MET A 73 -5.876 3.935 3.510 1.00 0.76 H new ATOM 804 N ASN A 74 -8.564 -1.554 6.637 1.00 0.82 N ATOM 805 CA ASN A 74 -9.254 -1.606 7.914 1.00 0.94 C ATOM 806 C ASN A 74 -8.338 -2.155 9.012 1.00 0.92 C ATOM 807 O ASN A 74 -8.262 -1.585 10.102 1.00 1.00 O ATOM 808 CB ASN A 74 -10.528 -2.443 7.786 1.00 1.05 C ATOM 809 CG ASN A 74 -11.190 -2.703 9.119 1.00 1.26 C ATOM 810 OD1 ASN A 74 -11.978 -1.893 9.609 1.00 1.62 O ATOM 811 ND2 ASN A 74 -10.901 -3.852 9.692 1.00 1.88 N ATOM 0 H ASN A 74 -9.010 -2.088 5.892 1.00 0.82 H new ATOM 0 HA ASN A 74 -9.534 -0.592 8.201 1.00 0.94 H new ATOM 0 HB2 ASN A 74 -11.231 -1.930 7.130 1.00 1.05 H new ATOM 0 HB3 ASN A 74 -10.287 -3.395 7.313 1.00 1.05 H new ATOM 0 HD21 ASN A 74 -11.336 -4.103 10.580 1.00 1.88 H new ATOM 0 HD22 ASN A 74 -10.242 -4.492 9.248 1.00 1.88 H new ATOM 818 N GLU A 75 -7.640 -3.251 8.723 1.00 0.88 N ATOM 819 CA GLU A 75 -6.702 -3.825 9.680 1.00 0.95 C ATOM 820 C GLU A 75 -5.420 -2.984 9.815 1.00 0.85 C ATOM 821 O GLU A 75 -4.880 -2.850 10.913 1.00 0.90 O ATOM 822 CB GLU A 75 -6.349 -5.268 9.294 1.00 1.07 C ATOM 823 CG GLU A 75 -5.616 -5.395 7.969 1.00 1.66 C ATOM 824 CD GLU A 75 -5.121 -6.803 7.712 1.00 2.20 C ATOM 825 OE1 GLU A 75 -4.188 -7.247 8.420 1.00 2.59 O ATOM 826 OE2 GLU A 75 -5.661 -7.472 6.806 1.00 2.73 O ATOM 0 H GLU A 75 -7.707 -3.756 7.839 1.00 0.88 H new ATOM 0 HA GLU A 75 -7.198 -3.825 10.650 1.00 0.95 H new ATOM 0 HB2 GLU A 75 -5.733 -5.703 10.081 1.00 1.07 H new ATOM 0 HB3 GLU A 75 -7.266 -5.855 9.247 1.00 1.07 H new ATOM 0 HG2 GLU A 75 -6.281 -5.094 7.159 1.00 1.66 H new ATOM 0 HG3 GLU A 75 -4.770 -4.708 7.959 1.00 1.66 H new ATOM 833 N TYR A 76 -4.937 -2.414 8.710 1.00 0.80 N ATOM 834 CA TYR A 76 -3.690 -1.639 8.730 1.00 0.80 C ATOM 835 C TYR A 76 -3.896 -0.240 9.306 1.00 0.84 C ATOM 836 O TYR A 76 -3.137 0.197 10.172 1.00 1.09 O ATOM 837 CB TYR A 76 -3.087 -1.527 7.323 1.00 0.81 C ATOM 838 CG TYR A 76 -2.210 -2.697 6.925 1.00 0.80 C ATOM 839 CD1 TYR A 76 -2.761 -3.934 6.632 1.00 1.22 C ATOM 840 CD2 TYR A 76 -0.833 -2.555 6.832 1.00 1.28 C ATOM 841 CE1 TYR A 76 -1.969 -5.002 6.261 1.00 1.44 C ATOM 842 CE2 TYR A 76 -0.030 -3.620 6.461 1.00 1.65 C ATOM 843 CZ TYR A 76 -0.604 -4.841 6.174 1.00 1.51 C ATOM 844 OH TYR A 76 0.188 -5.905 5.802 1.00 1.98 O ATOM 0 H TYR A 76 -5.384 -2.472 7.795 1.00 0.80 H new ATOM 0 HA TYR A 76 -2.998 -2.179 9.377 1.00 0.80 H new ATOM 0 HB2 TYR A 76 -3.897 -1.433 6.600 1.00 0.81 H new ATOM 0 HB3 TYR A 76 -2.499 -0.611 7.264 1.00 0.81 H new ATOM 0 HD1 TYR A 76 -3.831 -4.065 6.695 1.00 1.22 H new ATOM 0 HD2 TYR A 76 -0.381 -1.599 7.052 1.00 1.28 H new ATOM 0 HE1 TYR A 76 -2.418 -5.959 6.040 1.00 1.44 H new ATOM 0 HE2 TYR A 76 1.041 -3.495 6.397 1.00 1.65 H new ATOM 0 HH TYR A 76 -0.053 -6.191 4.896 1.00 1.98 H new ATOM 854 N ASP A 77 -4.922 0.447 8.823 1.00 0.72 N ATOM 855 CA ASP A 77 -5.199 1.824 9.218 1.00 0.83 C ATOM 856 C ASP A 77 -5.556 1.889 10.695 1.00 1.13 C ATOM 857 O ASP A 77 -6.448 1.177 11.172 1.00 1.71 O ATOM 858 CB ASP A 77 -6.341 2.408 8.370 1.00 0.91 C ATOM 859 CG ASP A 77 -6.534 3.910 8.528 1.00 1.10 C ATOM 860 OD1 ASP A 77 -6.541 4.415 9.670 1.00 1.63 O ATOM 861 OD2 ASP A 77 -6.725 4.593 7.501 1.00 1.44 O ATOM 0 H ASP A 77 -5.586 0.068 8.147 1.00 0.72 H new ATOM 0 HA ASP A 77 -4.301 2.418 9.048 1.00 0.83 H new ATOM 0 HB2 ASP A 77 -6.148 2.187 7.320 1.00 0.91 H new ATOM 0 HB3 ASP A 77 -7.270 1.904 8.636 1.00 0.91 H new ATOM 926 N GLY A 82 -9.098 6.012 6.853 1.00 1.33 N ATOM 927 CA GLY A 82 -9.221 6.887 5.708 1.00 1.30 C ATOM 928 C GLY A 82 -7.985 6.823 4.847 1.00 1.00 C ATOM 929 O GLY A 82 -8.061 6.534 3.654 1.00 1.04 O ATOM 0 HA2 GLY A 82 -10.094 6.603 5.120 1.00 1.30 H new ATOM 0 HA3 GLY A 82 -9.383 7.911 6.044 1.00 1.30 H new ATOM 933 N TYR A 83 -6.840 7.075 5.464 1.00 0.83 N ATOM 934 CA TYR A 83 -5.570 6.974 4.767 1.00 0.60 C ATOM 935 C TYR A 83 -4.547 6.316 5.665 1.00 0.51 C ATOM 936 O TYR A 83 -4.569 6.487 6.884 1.00 0.62 O ATOM 937 CB TYR A 83 -5.005 8.333 4.353 1.00 0.66 C ATOM 938 CG TYR A 83 -5.990 9.299 3.739 1.00 0.95 C ATOM 939 CD1 TYR A 83 -6.254 9.277 2.375 1.00 1.52 C ATOM 940 CD2 TYR A 83 -6.673 10.215 4.526 1.00 1.22 C ATOM 941 CE1 TYR A 83 -7.168 10.144 1.815 1.00 2.23 C ATOM 942 CE2 TYR A 83 -7.592 11.083 3.972 1.00 1.81 C ATOM 943 CZ TYR A 83 -7.766 11.105 2.606 1.00 2.34 C ATOM 944 OH TYR A 83 -8.754 11.901 2.058 1.00 3.05 O ATOM 0 H TYR A 83 -6.766 7.350 6.443 1.00 0.83 H new ATOM 0 HA TYR A 83 -5.762 6.388 3.868 1.00 0.60 H new ATOM 0 HB2 TYR A 83 -4.564 8.804 5.231 1.00 0.66 H new ATOM 0 HB3 TYR A 83 -4.197 8.167 3.641 1.00 0.66 H new ATOM 0 HD1 TYR A 83 -5.735 8.570 1.744 1.00 1.52 H new ATOM 0 HD2 TYR A 83 -6.483 10.249 5.589 1.00 1.22 H new ATOM 0 HE1 TYR A 83 -7.414 10.072 0.766 1.00 2.23 H new ATOM 0 HE2 TYR A 83 -8.170 11.740 4.605 1.00 1.81 H new ATOM 0 HH TYR A 83 -9.081 12.529 2.735 1.00 3.05 H new ATOM 954 N ILE A 84 -3.628 5.614 5.056 1.00 0.42 N ATOM 955 CA ILE A 84 -2.551 4.971 5.782 1.00 0.41 C ATOM 956 C ILE A 84 -1.269 5.765 5.604 1.00 0.38 C ATOM 957 O ILE A 84 -1.191 6.633 4.733 1.00 0.42 O ATOM 958 CB ILE A 84 -2.336 3.526 5.297 1.00 0.51 C ATOM 959 CG1 ILE A 84 -2.006 3.521 3.796 1.00 0.62 C ATOM 960 CG2 ILE A 84 -3.565 2.677 5.610 1.00 0.64 C ATOM 961 CD1 ILE A 84 -2.458 2.279 3.068 1.00 0.72 C ATOM 0 H ILE A 84 -3.600 5.469 4.047 1.00 0.42 H new ATOM 0 HA ILE A 84 -2.823 4.940 6.837 1.00 0.41 H new ATOM 0 HB ILE A 84 -1.490 3.087 5.826 1.00 0.51 H new ATOM 0 HG12 ILE A 84 -2.470 4.391 3.330 1.00 0.62 H new ATOM 0 HG13 ILE A 84 -0.929 3.630 3.672 1.00 0.62 H new ATOM 0 HG21 ILE A 84 -3.401 1.657 5.262 1.00 0.64 H new ATOM 0 HG22 ILE A 84 -3.738 2.670 6.686 1.00 0.64 H new ATOM 0 HG23 ILE A 84 -4.435 3.097 5.105 1.00 0.64 H new ATOM 0 HD11 ILE A 84 -2.187 2.356 2.015 1.00 0.72 H new ATOM 0 HD12 ILE A 84 -1.974 1.405 3.505 1.00 0.72 H new ATOM 0 HD13 ILE A 84 -3.540 2.178 3.158 1.00 0.72 H new ATOM 973 N GLY A 85 -0.268 5.473 6.412 1.00 0.40 N ATOM 974 CA GLY A 85 0.979 6.195 6.325 1.00 0.42 C ATOM 975 C GLY A 85 2.007 5.391 5.574 1.00 0.37 C ATOM 976 O GLY A 85 1.774 4.216 5.290 1.00 0.37 O ATOM 0 H GLY A 85 -0.296 4.747 7.128 1.00 0.40 H new ATOM 0 HA2 GLY A 85 0.818 7.149 5.823 1.00 0.42 H new ATOM 0 HA3 GLY A 85 1.346 6.419 7.327 1.00 0.42 H new ATOM 980 N PHE A 86 3.116 6.017 5.199 1.00 0.38 N ATOM 981 CA PHE A 86 4.141 5.338 4.430 1.00 0.35 C ATOM 982 C PHE A 86 4.540 4.012 5.077 1.00 0.40 C ATOM 983 O PHE A 86 4.763 3.025 4.383 1.00 0.43 O ATOM 984 CB PHE A 86 5.373 6.225 4.258 1.00 0.39 C ATOM 985 CG PHE A 86 6.463 5.528 3.507 1.00 0.43 C ATOM 986 CD1 PHE A 86 6.449 5.482 2.126 1.00 0.48 C ATOM 987 CD2 PHE A 86 7.474 4.876 4.186 1.00 0.61 C ATOM 988 CE1 PHE A 86 7.420 4.806 1.436 1.00 0.58 C ATOM 989 CE2 PHE A 86 8.455 4.203 3.500 1.00 0.71 C ATOM 990 CZ PHE A 86 8.429 4.163 2.121 1.00 0.65 C ATOM 0 H PHE A 86 3.324 6.992 5.416 1.00 0.38 H new ATOM 0 HA PHE A 86 3.720 5.126 3.447 1.00 0.35 H new ATOM 0 HB2 PHE A 86 5.093 7.136 3.729 1.00 0.39 H new ATOM 0 HB3 PHE A 86 5.743 6.526 5.238 1.00 0.39 H new ATOM 0 HD1 PHE A 86 5.662 5.986 1.584 1.00 0.48 H new ATOM 0 HD2 PHE A 86 7.493 4.896 5.266 1.00 0.61 H new ATOM 0 HE1 PHE A 86 7.395 4.777 0.357 1.00 0.58 H new ATOM 0 HE2 PHE A 86 9.247 3.705 4.040 1.00 0.71 H new ATOM 0 HZ PHE A 86 9.197 3.630 1.580 1.00 0.65 H new ATOM 1000 N ASP A 87 4.606 3.983 6.404 1.00 0.47 N ATOM 1001 CA ASP A 87 5.018 2.776 7.115 1.00 0.57 C ATOM 1002 C ASP A 87 3.943 1.690 7.025 1.00 0.56 C ATOM 1003 O ASP A 87 4.237 0.501 7.155 1.00 0.68 O ATOM 1004 CB ASP A 87 5.351 3.084 8.580 1.00 0.71 C ATOM 1005 CG ASP A 87 4.127 3.377 9.420 1.00 1.38 C ATOM 1006 OD1 ASP A 87 3.598 4.503 9.338 1.00 1.82 O ATOM 1007 OD2 ASP A 87 3.703 2.481 10.182 1.00 2.13 O ATOM 0 H ASP A 87 4.381 4.775 7.006 1.00 0.47 H new ATOM 0 HA ASP A 87 5.921 2.402 6.633 1.00 0.57 H new ATOM 0 HB2 ASP A 87 5.885 2.237 9.010 1.00 0.71 H new ATOM 0 HB3 ASP A 87 6.025 3.940 8.621 1.00 0.71 H new ATOM 1012 N ASP A 88 2.701 2.099 6.780 1.00 0.52 N ATOM 1013 CA ASP A 88 1.603 1.153 6.578 1.00 0.58 C ATOM 1014 C ASP A 88 1.616 0.641 5.144 1.00 0.59 C ATOM 1015 O ASP A 88 1.099 -0.429 4.847 1.00 0.80 O ATOM 1016 CB ASP A 88 0.244 1.806 6.849 1.00 0.64 C ATOM 1017 CG ASP A 88 0.096 2.341 8.256 1.00 1.27 C ATOM 1018 OD1 ASP A 88 0.121 1.541 9.211 1.00 1.21 O ATOM 1019 OD2 ASP A 88 -0.079 3.569 8.411 1.00 2.13 O ATOM 0 H ASP A 88 2.428 3.080 6.716 1.00 0.52 H new ATOM 0 HA ASP A 88 1.746 0.330 7.278 1.00 0.58 H new ATOM 0 HB2 ASP A 88 0.096 2.622 6.142 1.00 0.64 H new ATOM 0 HB3 ASP A 88 -0.544 1.076 6.663 1.00 0.64 H new ATOM 1024 N PHE A 89 2.233 1.420 4.271 1.00 0.45 N ATOM 1025 CA PHE A 89 2.292 1.123 2.844 1.00 0.45 C ATOM 1026 C PHE A 89 3.460 0.200 2.598 1.00 0.45 C ATOM 1027 O PHE A 89 3.398 -0.762 1.830 1.00 0.46 O ATOM 1028 CB PHE A 89 2.492 2.435 2.075 1.00 0.44 C ATOM 1029 CG PHE A 89 2.881 2.260 0.640 1.00 0.46 C ATOM 1030 CD1 PHE A 89 1.937 1.990 -0.334 1.00 0.55 C ATOM 1031 CD2 PHE A 89 4.210 2.368 0.275 1.00 0.46 C ATOM 1032 CE1 PHE A 89 2.316 1.831 -1.652 1.00 0.60 C ATOM 1033 CE2 PHE A 89 4.596 2.210 -1.034 1.00 0.50 C ATOM 1034 CZ PHE A 89 3.648 1.939 -2.004 1.00 0.56 C ATOM 0 H PHE A 89 2.711 2.283 4.531 1.00 0.45 H new ATOM 0 HA PHE A 89 1.371 0.646 2.509 1.00 0.45 H new ATOM 0 HB2 PHE A 89 1.569 3.012 2.120 1.00 0.44 H new ATOM 0 HB3 PHE A 89 3.260 3.023 2.578 1.00 0.44 H new ATOM 0 HD1 PHE A 89 0.896 1.903 -0.062 1.00 0.55 H new ATOM 0 HD2 PHE A 89 4.954 2.579 1.028 1.00 0.46 H new ATOM 0 HE1 PHE A 89 1.572 1.622 -2.407 1.00 0.60 H new ATOM 0 HE2 PHE A 89 5.638 2.297 -1.305 1.00 0.50 H new ATOM 0 HZ PHE A 89 3.948 1.812 -3.034 1.00 0.56 H new ATOM 1044 N LEU A 90 4.522 0.540 3.283 1.00 0.45 N ATOM 1045 CA LEU A 90 5.765 -0.184 3.264 1.00 0.44 C ATOM 1046 C LEU A 90 5.557 -1.646 3.590 1.00 0.43 C ATOM 1047 O LEU A 90 5.975 -2.519 2.837 1.00 0.46 O ATOM 1048 CB LEU A 90 6.661 0.467 4.294 1.00 0.46 C ATOM 1049 CG LEU A 90 8.053 -0.106 4.453 1.00 0.60 C ATOM 1050 CD1 LEU A 90 8.679 -0.385 3.104 1.00 1.41 C ATOM 1051 CD2 LEU A 90 8.919 0.865 5.226 1.00 1.14 C ATOM 0 H LEU A 90 4.544 1.359 3.891 1.00 0.45 H new ATOM 0 HA LEU A 90 6.212 -0.148 2.270 1.00 0.44 H new ATOM 0 HB2 LEU A 90 6.756 1.523 4.042 1.00 0.46 H new ATOM 0 HB3 LEU A 90 6.160 0.414 5.261 1.00 0.46 H new ATOM 0 HG LEU A 90 7.978 -1.046 4.999 1.00 0.60 H new ATOM 0 HD11 LEU A 90 9.679 -0.796 3.245 1.00 1.41 H new ATOM 0 HD12 LEU A 90 8.065 -1.102 2.559 1.00 1.41 H new ATOM 0 HD13 LEU A 90 8.745 0.542 2.535 1.00 1.41 H new ATOM 0 HD21 LEU A 90 9.920 0.449 5.339 1.00 1.14 H new ATOM 0 HD22 LEU A 90 8.977 1.810 4.686 1.00 1.14 H new ATOM 0 HD23 LEU A 90 8.484 1.036 6.211 1.00 1.14 H new ATOM 1063 N ASP A 91 4.880 -1.898 4.700 1.00 0.45 N ATOM 1064 CA ASP A 91 4.657 -3.267 5.166 1.00 0.50 C ATOM 1065 C ASP A 91 3.739 -4.056 4.240 1.00 0.52 C ATOM 1066 O ASP A 91 3.448 -5.213 4.503 1.00 0.59 O ATOM 1067 CB ASP A 91 4.124 -3.312 6.591 1.00 0.56 C ATOM 1068 CG ASP A 91 5.080 -4.023 7.532 1.00 1.14 C ATOM 1069 OD1 ASP A 91 5.992 -3.362 8.082 1.00 1.85 O ATOM 1070 OD2 ASP A 91 4.928 -5.249 7.727 1.00 1.84 O ATOM 0 H ASP A 91 4.474 -1.177 5.297 1.00 0.45 H new ATOM 0 HA ASP A 91 5.638 -3.743 5.154 1.00 0.50 H new ATOM 0 HB2 ASP A 91 3.953 -2.296 6.947 1.00 0.56 H new ATOM 0 HB3 ASP A 91 3.160 -3.820 6.602 1.00 0.56 H new ATOM 1075 N ILE A 92 3.257 -3.410 3.191 1.00 0.51 N ATOM 1076 CA ILE A 92 2.483 -4.073 2.144 1.00 0.55 C ATOM 1077 C ILE A 92 3.391 -4.514 1.026 1.00 0.53 C ATOM 1078 O ILE A 92 3.239 -5.597 0.456 1.00 0.60 O ATOM 1079 CB ILE A 92 1.432 -3.116 1.585 1.00 0.58 C ATOM 1080 CG1 ILE A 92 0.496 -2.743 2.706 1.00 0.65 C ATOM 1081 CG2 ILE A 92 0.684 -3.747 0.420 1.00 0.62 C ATOM 1082 CD1 ILE A 92 -0.424 -1.588 2.389 1.00 1.30 C ATOM 0 H ILE A 92 3.389 -2.410 3.037 1.00 0.51 H new ATOM 0 HA ILE A 92 1.991 -4.944 2.577 1.00 0.55 H new ATOM 0 HB ILE A 92 1.912 -2.218 1.196 1.00 0.58 H new ATOM 0 HG12 ILE A 92 -0.108 -3.613 2.964 1.00 0.65 H new ATOM 0 HG13 ILE A 92 1.086 -2.491 3.587 1.00 0.65 H new ATOM 0 HG21 ILE A 92 -0.058 -3.045 0.041 1.00 0.62 H new ATOM 0 HG22 ILE A 92 1.389 -3.994 -0.374 1.00 0.62 H new ATOM 0 HG23 ILE A 92 0.185 -4.655 0.757 1.00 0.62 H new ATOM 0 HD11 ILE A 92 -1.063 -1.385 3.248 1.00 1.30 H new ATOM 0 HD12 ILE A 92 0.169 -0.702 2.161 1.00 1.30 H new ATOM 0 HD13 ILE A 92 -1.043 -1.841 1.528 1.00 1.30 H new ATOM 1094 N MET A 93 4.348 -3.677 0.719 1.00 0.47 N ATOM 1095 CA MET A 93 5.358 -4.036 -0.237 1.00 0.48 C ATOM 1096 C MET A 93 6.337 -4.987 0.423 1.00 0.49 C ATOM 1097 O MET A 93 7.035 -5.744 -0.245 1.00 0.55 O ATOM 1098 CB MET A 93 6.033 -2.788 -0.776 1.00 0.50 C ATOM 1099 CG MET A 93 5.037 -1.861 -1.449 1.00 0.61 C ATOM 1100 SD MET A 93 5.839 -0.611 -2.462 1.00 0.57 S ATOM 1101 CE MET A 93 6.636 -1.664 -3.671 1.00 0.63 C ATOM 0 H MET A 93 4.448 -2.743 1.118 1.00 0.47 H new ATOM 0 HA MET A 93 4.914 -4.546 -1.092 1.00 0.48 H new ATOM 0 HB2 MET A 93 6.529 -2.261 0.039 1.00 0.50 H new ATOM 0 HB3 MET A 93 6.807 -3.071 -1.489 1.00 0.50 H new ATOM 0 HG2 MET A 93 4.360 -2.448 -2.070 1.00 0.61 H new ATOM 0 HG3 MET A 93 4.428 -1.372 -0.688 1.00 0.61 H new ATOM 0 HE1 MET A 93 6.747 -1.121 -4.610 1.00 0.63 H new ATOM 0 HE2 MET A 93 7.619 -1.960 -3.304 1.00 0.63 H new ATOM 0 HE3 MET A 93 6.028 -2.553 -3.836 1.00 0.63 H new ATOM 1111 N THR A 94 6.368 -4.951 1.750 1.00 0.48 N ATOM 1112 CA THR A 94 7.066 -5.973 2.507 1.00 0.54 C ATOM 1113 C THR A 94 6.097 -7.061 2.975 1.00 0.61 C ATOM 1114 O THR A 94 6.514 -8.073 3.536 1.00 0.74 O ATOM 1115 CB THR A 94 7.807 -5.391 3.724 1.00 0.59 C ATOM 1116 OG1 THR A 94 6.881 -4.851 4.662 1.00 0.64 O ATOM 1117 CG2 THR A 94 8.779 -4.308 3.286 1.00 0.60 C ATOM 0 H THR A 94 5.921 -4.230 2.317 1.00 0.48 H new ATOM 0 HA THR A 94 7.806 -6.408 1.835 1.00 0.54 H new ATOM 0 HB THR A 94 8.364 -6.198 4.200 1.00 0.59 H new ATOM 0 HG1 THR A 94 7.368 -4.487 5.430 1.00 0.64 H new ATOM 0 HG21 THR A 94 9.295 -3.907 4.159 1.00 0.60 H new ATOM 0 HG22 THR A 94 9.509 -4.732 2.596 1.00 0.60 H new ATOM 0 HG23 THR A 94 8.232 -3.507 2.788 1.00 0.60 H new ATOM 1125 N GLU A 95 4.802 -6.859 2.736 1.00 0.58 N ATOM 1126 CA GLU A 95 3.793 -7.825 3.165 1.00 0.68 C ATOM 1127 C GLU A 95 3.995 -9.143 2.460 1.00 0.71 C ATOM 1128 O GLU A 95 4.363 -10.148 3.063 1.00 0.79 O ATOM 1129 CB GLU A 95 2.374 -7.355 2.858 1.00 0.72 C ATOM 1130 CG GLU A 95 1.314 -8.363 3.283 1.00 0.92 C ATOM 1131 CD GLU A 95 -0.089 -7.961 2.885 1.00 1.32 C ATOM 1132 OE1 GLU A 95 -0.738 -7.214 3.647 1.00 1.67 O ATOM 1133 OE2 GLU A 95 -0.559 -8.418 1.819 1.00 2.09 O ATOM 0 H GLU A 95 4.429 -6.042 2.252 1.00 0.58 H new ATOM 0 HA GLU A 95 3.911 -7.932 4.243 1.00 0.68 H new ATOM 0 HB2 GLU A 95 2.192 -6.408 3.365 1.00 0.72 H new ATOM 0 HB3 GLU A 95 2.282 -7.167 1.788 1.00 0.72 H new ATOM 0 HG2 GLU A 95 1.546 -9.332 2.841 1.00 0.92 H new ATOM 0 HG3 GLU A 95 1.355 -8.489 4.365 1.00 0.92 H new ATOM 1140 N LYS A 96 3.803 -9.094 1.155 1.00 0.68 N ATOM 1141 CA LYS A 96 3.657 -10.283 0.348 1.00 0.75 C ATOM 1142 C LYS A 96 4.939 -11.122 0.255 1.00 0.77 C ATOM 1143 O LYS A 96 4.940 -12.160 -0.391 1.00 0.90 O ATOM 1144 CB LYS A 96 3.138 -9.909 -1.050 1.00 0.78 C ATOM 1145 CG LYS A 96 3.890 -8.760 -1.700 1.00 0.75 C ATOM 1146 CD LYS A 96 5.290 -9.170 -2.105 1.00 0.89 C ATOM 1147 CE LYS A 96 6.251 -8.005 -2.035 1.00 0.80 C ATOM 1148 NZ LYS A 96 5.994 -6.997 -3.097 1.00 1.16 N ATOM 0 H LYS A 96 3.744 -8.224 0.626 1.00 0.68 H new ATOM 0 HA LYS A 96 2.926 -10.917 0.850 1.00 0.75 H new ATOM 0 HB2 LYS A 96 3.202 -10.784 -1.697 1.00 0.78 H new ATOM 0 HB3 LYS A 96 2.083 -9.644 -0.976 1.00 0.78 H new ATOM 0 HG2 LYS A 96 3.343 -8.416 -2.578 1.00 0.75 H new ATOM 0 HG3 LYS A 96 3.942 -7.920 -1.007 1.00 0.75 H new ATOM 0 HD2 LYS A 96 5.639 -9.970 -1.452 1.00 0.89 H new ATOM 0 HD3 LYS A 96 5.274 -9.569 -3.119 1.00 0.89 H new ATOM 0 HE2 LYS A 96 6.170 -7.529 -1.058 1.00 0.80 H new ATOM 0 HE3 LYS A 96 7.273 -8.374 -2.127 1.00 0.80 H new ATOM 0 HZ1 LYS A 96 6.677 -6.218 -3.009 1.00 1.16 H new ATOM 0 HZ2 LYS A 96 6.096 -7.443 -4.031 1.00 1.16 H new ATOM 0 HZ3 LYS A 96 5.028 -6.624 -2.995 1.00 1.16 H new ATOM 1162 N ILE A 97 6.039 -10.669 0.855 1.00 0.72 N ATOM 1163 CA ILE A 97 7.278 -11.446 0.809 1.00 0.78 C ATOM 1164 C ILE A 97 7.453 -12.332 2.050 1.00 0.86 C ATOM 1165 O ILE A 97 7.744 -13.517 1.921 1.00 0.97 O ATOM 1166 CB ILE A 97 8.537 -10.569 0.571 1.00 0.78 C ATOM 1167 CG1 ILE A 97 8.506 -9.274 1.386 1.00 0.73 C ATOM 1168 CG2 ILE A 97 8.703 -10.259 -0.909 1.00 0.90 C ATOM 1169 CD1 ILE A 97 9.070 -9.434 2.777 1.00 0.79 C ATOM 0 H ILE A 97 6.100 -9.789 1.367 1.00 0.72 H new ATOM 0 HA ILE A 97 7.179 -12.100 -0.057 1.00 0.78 H new ATOM 0 HB ILE A 97 9.396 -11.146 0.913 1.00 0.78 H new ATOM 0 HG12 ILE A 97 9.071 -8.506 0.858 1.00 0.73 H new ATOM 0 HG13 ILE A 97 7.477 -8.921 1.456 1.00 0.73 H new ATOM 0 HG21 ILE A 97 9.591 -9.644 -1.054 1.00 0.90 H new ATOM 0 HG22 ILE A 97 8.811 -11.190 -1.466 1.00 0.90 H new ATOM 0 HG23 ILE A 97 7.826 -9.721 -1.269 1.00 0.90 H new ATOM 0 HD11 ILE A 97 9.019 -8.480 3.302 1.00 0.79 H new ATOM 0 HD12 ILE A 97 8.490 -10.179 3.321 1.00 0.79 H new ATOM 0 HD13 ILE A 97 10.109 -9.758 2.713 1.00 0.79 H new ATOM 1181 N LYS A 98 7.267 -11.779 3.246 1.00 0.93 N ATOM 1182 CA LYS A 98 7.341 -12.580 4.468 1.00 1.13 C ATOM 1183 C LYS A 98 5.988 -13.216 4.750 1.00 1.19 C ATOM 1184 O LYS A 98 5.881 -14.204 5.470 1.00 1.39 O ATOM 1185 CB LYS A 98 7.848 -11.739 5.657 1.00 1.33 C ATOM 1186 CG LYS A 98 7.242 -10.344 5.776 1.00 1.54 C ATOM 1187 CD LYS A 98 5.806 -10.370 6.263 1.00 1.29 C ATOM 1188 CE LYS A 98 5.148 -9.013 6.097 1.00 1.14 C ATOM 1189 NZ LYS A 98 5.678 -7.992 7.044 1.00 1.56 N ATOM 0 H LYS A 98 7.066 -10.790 3.396 1.00 0.93 H new ATOM 0 HA LYS A 98 8.066 -13.381 4.324 1.00 1.13 H new ATOM 0 HB2 LYS A 98 7.646 -12.285 6.579 1.00 1.33 H new ATOM 0 HB3 LYS A 98 8.931 -11.641 5.576 1.00 1.33 H new ATOM 0 HG2 LYS A 98 7.844 -9.748 6.463 1.00 1.54 H new ATOM 0 HG3 LYS A 98 7.283 -9.850 4.805 1.00 1.54 H new ATOM 0 HD2 LYS A 98 5.244 -11.121 5.707 1.00 1.29 H new ATOM 0 HD3 LYS A 98 5.780 -10.664 7.312 1.00 1.29 H new ATOM 0 HE2 LYS A 98 5.297 -8.665 5.075 1.00 1.14 H new ATOM 0 HE3 LYS A 98 4.073 -9.115 6.245 1.00 1.14 H new ATOM 0 HZ1 LYS A 98 5.114 -7.122 6.968 1.00 1.56 H new ATOM 0 HZ2 LYS A 98 5.621 -8.357 8.016 1.00 1.56 H new ATOM 0 HZ3 LYS A 98 6.670 -7.783 6.810 1.00 1.56 H new ATOM 1203 N ASN A 99 4.957 -12.635 4.153 1.00 1.11 N ATOM 1204 CA ASN A 99 3.619 -13.203 4.167 1.00 1.24 C ATOM 1205 C ASN A 99 3.323 -13.717 2.767 1.00 1.27 C ATOM 1206 O ASN A 99 2.187 -13.707 2.295 1.00 1.57 O ATOM 1207 CB ASN A 99 2.599 -12.134 4.593 1.00 1.30 C ATOM 1208 CG ASN A 99 1.177 -12.659 4.744 1.00 1.53 C ATOM 1209 OD1 ASN A 99 1.032 -13.891 5.206 1.00 1.97 O flip ATOM 1210 ND2 ASN A 99 0.211 -11.946 4.463 1.00 1.86 N flip ATOM 0 H ASN A 99 5.027 -11.754 3.644 1.00 1.11 H new ATOM 0 HA ASN A 99 3.551 -14.022 4.883 1.00 1.24 H new ATOM 0 HB2 ASN A 99 2.918 -11.700 5.541 1.00 1.30 H new ATOM 0 HB3 ASN A 99 2.602 -11.330 3.857 1.00 1.30 H new ATOM 0 HD21 ASN A 99 0.360 -11.001 4.109 1.00 1.86 H new ATOM 0 HD22 ASN A 99 -0.737 -12.301 4.584 1.00 1.86 H new ATOM 1217 N ARG A 100 4.384 -14.166 2.101 1.00 1.20 N ATOM 1218 CA ARG A 100 4.271 -14.686 0.749 1.00 1.28 C ATOM 1219 C ARG A 100 3.377 -15.919 0.744 1.00 1.61 C ATOM 1220 O ARG A 100 2.632 -16.170 -0.207 1.00 1.75 O ATOM 1221 CB ARG A 100 5.652 -15.027 0.178 1.00 1.26 C ATOM 1222 CG ARG A 100 5.609 -15.423 -1.286 1.00 1.58 C ATOM 1223 CD ARG A 100 6.986 -15.793 -1.818 1.00 1.70 C ATOM 1224 NE ARG A 100 7.463 -17.074 -1.297 1.00 2.35 N ATOM 1225 CZ ARG A 100 8.343 -17.851 -1.929 1.00 2.88 C ATOM 1226 NH1 ARG A 100 8.845 -17.477 -3.099 1.00 2.86 N ATOM 1227 NH2 ARG A 100 8.719 -19.003 -1.387 1.00 3.81 N ATOM 0 H ARG A 100 5.331 -14.178 2.480 1.00 1.20 H new ATOM 0 HA ARG A 100 3.825 -13.918 0.117 1.00 1.28 H new ATOM 0 HB2 ARG A 100 6.310 -14.166 0.296 1.00 1.26 H new ATOM 0 HB3 ARG A 100 6.087 -15.842 0.756 1.00 1.26 H new ATOM 0 HG2 ARG A 100 4.932 -16.268 -1.413 1.00 1.58 H new ATOM 0 HG3 ARG A 100 5.203 -14.599 -1.873 1.00 1.58 H new ATOM 0 HD2 ARG A 100 6.951 -15.838 -2.907 1.00 1.70 H new ATOM 0 HD3 ARG A 100 7.696 -15.010 -1.554 1.00 1.70 H new ATOM 0 HE ARG A 100 7.101 -17.391 -0.398 1.00 2.35 H new ATOM 0 HH11 ARG A 100 8.558 -16.592 -3.518 1.00 2.86 H new ATOM 0 HH12 ARG A 100 9.518 -18.074 -3.579 1.00 2.86 H new ATOM 0 HH21 ARG A 100 8.335 -19.293 -0.488 1.00 3.81 H new ATOM 0 HH22 ARG A 100 9.392 -19.598 -1.870 1.00 3.81 H new