USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 28 ASN : amide:sc= -2.65 K(o=-11,f=-8.2) USER MOD Set 1.2: A 64 ASN : amide:sc= -8.7! C(o=-11!,f=-8.2!) USER MOD Set 2.1: A 10 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0772) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 160:sc= -0.0257 (180deg=-0.202) USER MOD Single : A 3 SER OG : rot 23:sc= 0.204 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0941 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -82:sc= -0.534! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.673 K(o=-0.67,f=-0.14) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 172:sc= 0 USER MOD Single : A 30 THR OG1 : rot -53:sc= 1.15 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0993 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.1!) USER MOD Single : A 54 THR OG1 : rot -64:sc= 0.793 USER MOD Single : A 56 SER OG : rot 44:sc= 0.65 USER MOD Single : A 58 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.0075) USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0502) USER MOD Single : A 65 THR OG1 : rot 164:sc= -0.218 USER MOD Single : A 67 GLN : amide:sc= 0.293 X(o=0.29,f=-0.025) USER MOD Single : A 72 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.31) USER MOD Single : A 77 ASN : amide:sc= -1.8 X(o=-1.8,f=-2) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 4.045 -2.250 -3.701 1.00 0.00 N ATOM 43 CA SER A 3 5.072 -2.051 -4.716 1.00 0.00 C ATOM 44 C SER A 3 4.483 -1.406 -5.967 1.00 0.00 C ATOM 45 O SER A 3 3.339 -0.950 -5.965 1.00 0.00 O ATOM 46 CB SER A 3 5.727 -3.385 -5.077 1.00 0.00 C ATOM 47 OG SER A 3 6.123 -4.090 -3.913 1.00 0.00 O ATOM 0 HA SER A 3 5.828 -1.382 -4.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.029 -3.992 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.595 -3.208 -5.712 1.00 0.00 H new ATOM 0 HG SER A 3 5.593 -3.783 -3.148 1.00 0.00 H new ATOM 53 N THR A 4 5.273 -1.372 -7.036 1.00 0.00 N ATOM 54 CA THR A 4 4.831 -0.783 -8.294 1.00 0.00 C ATOM 55 C THR A 4 3.578 -1.476 -8.816 1.00 0.00 C ATOM 56 O THR A 4 2.764 -0.867 -9.511 1.00 0.00 O ATOM 57 CB THR A 4 5.933 -0.861 -9.368 1.00 0.00 C ATOM 58 OG1 THR A 4 5.477 -0.255 -10.582 1.00 0.00 O ATOM 59 CG2 THR A 4 6.327 -2.307 -9.634 1.00 0.00 C ATOM 0 H THR A 4 6.222 -1.745 -7.055 1.00 0.00 H new ATOM 0 HA THR A 4 4.605 0.264 -8.091 1.00 0.00 H new ATOM 0 HB THR A 4 6.807 -0.324 -9.000 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.184 -0.307 -11.259 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.106 -2.338 -10.396 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.700 -2.757 -8.714 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.457 -2.863 -9.983 1.00 0.00 H new ATOM 67 N PHE A 5 3.428 -2.751 -8.476 1.00 0.00 N ATOM 68 CA PHE A 5 2.272 -3.528 -8.910 1.00 0.00 C ATOM 69 C PHE A 5 0.982 -2.737 -8.717 1.00 0.00 C ATOM 70 O PHE A 5 0.038 -2.868 -9.496 1.00 0.00 O ATOM 71 CB PHE A 5 2.197 -4.846 -8.138 1.00 0.00 C ATOM 72 CG PHE A 5 1.856 -6.028 -9.000 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.966 -5.899 -10.054 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.426 -7.267 -8.757 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.651 -6.985 -10.849 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.115 -8.356 -9.548 1.00 0.00 C ATOM 77 CZ PHE A 5 1.227 -8.215 -10.596 1.00 0.00 C ATOM 0 H PHE A 5 4.092 -3.269 -7.901 1.00 0.00 H new ATOM 0 HA PHE A 5 2.389 -3.744 -9.972 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.155 -5.027 -7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.450 -4.754 -7.350 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.513 -4.940 -10.257 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.122 -7.383 -7.939 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.045 -6.872 -11.667 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.566 -9.317 -9.347 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.983 -9.065 -11.217 1.00 0.00 H new ATOM 87 N ASP A 6 0.949 -1.917 -7.672 1.00 0.00 N ATOM 88 CA ASP A 6 -0.225 -1.104 -7.375 1.00 0.00 C ATOM 89 C ASP A 6 -0.620 -0.258 -8.581 1.00 0.00 C ATOM 90 O ASP A 6 -1.596 -0.557 -9.270 1.00 0.00 O ATOM 91 CB ASP A 6 0.045 -0.202 -6.170 1.00 0.00 C ATOM 92 CG ASP A 6 -0.937 0.950 -6.077 1.00 0.00 C ATOM 93 OD1 ASP A 6 -2.155 0.701 -6.190 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.487 2.100 -5.893 1.00 0.00 O ATOM 0 H ASP A 6 1.721 -1.798 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.051 -1.775 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.008 -0.795 -5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.059 0.193 -6.235 1.00 0.00 H new ATOM 99 N ASP A 7 0.144 0.800 -8.831 1.00 0.00 N ATOM 100 CA ASP A 7 -0.125 1.690 -9.954 1.00 0.00 C ATOM 101 C ASP A 7 -0.205 0.907 -11.261 1.00 0.00 C ATOM 102 O ASP A 7 -0.925 1.292 -12.183 1.00 0.00 O ATOM 103 CB ASP A 7 0.960 2.764 -10.053 1.00 0.00 C ATOM 104 CG ASP A 7 0.865 3.787 -8.939 1.00 0.00 C ATOM 105 OD1 ASP A 7 0.017 4.698 -9.040 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.639 3.677 -7.966 1.00 0.00 O ATOM 0 H ASP A 7 0.955 1.062 -8.271 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.087 2.172 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.941 2.289 -10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.879 3.270 -11.015 1.00 0.00 H new ATOM 111 N ILE A 8 0.539 -0.191 -11.333 1.00 0.00 N ATOM 112 CA ILE A 8 0.552 -1.027 -12.527 1.00 0.00 C ATOM 113 C ILE A 8 -0.787 -1.732 -12.719 1.00 0.00 C ATOM 114 O ILE A 8 -1.238 -1.934 -13.846 1.00 0.00 O ATOM 115 CB ILE A 8 1.671 -2.083 -12.462 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.020 -1.452 -12.813 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.362 -3.241 -13.400 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.196 -2.375 -12.585 1.00 0.00 C ATOM 0 H ILE A 8 1.141 -0.523 -10.579 1.00 0.00 H new ATOM 0 HA ILE A 8 0.736 -0.366 -13.374 1.00 0.00 H new ATOM 0 HB ILE A 8 1.726 -2.470 -11.444 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.007 -1.145 -13.859 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.156 -0.549 -12.217 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.162 -3.979 -13.343 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.419 -3.704 -13.108 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.283 -2.870 -14.422 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.119 -1.862 -12.855 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.234 -2.663 -11.534 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.083 -3.267 -13.201 1.00 0.00 H new ATOM 130 N LYS A 9 -1.419 -2.102 -11.610 1.00 0.00 N ATOM 131 CA LYS A 9 -2.708 -2.781 -11.654 1.00 0.00 C ATOM 132 C LYS A 9 -3.832 -1.795 -11.955 1.00 0.00 C ATOM 133 O LYS A 9 -4.894 -2.179 -12.446 1.00 0.00 O ATOM 134 CB LYS A 9 -2.980 -3.491 -10.326 1.00 0.00 C ATOM 135 CG LYS A 9 -3.813 -2.670 -9.357 1.00 0.00 C ATOM 136 CD LYS A 9 -3.531 -3.056 -7.914 1.00 0.00 C ATOM 137 CE LYS A 9 -4.769 -3.625 -7.238 1.00 0.00 C ATOM 138 NZ LYS A 9 -5.633 -2.553 -6.670 1.00 0.00 N ATOM 0 H LYS A 9 -1.059 -1.943 -10.669 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.673 -3.521 -12.454 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.492 -4.432 -10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.029 -3.739 -9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.600 -1.611 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.872 -2.814 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.728 -3.792 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.184 -2.182 -7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.341 -4.208 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.468 -4.308 -6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.466 -2.981 -6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.095 -2.012 -5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.942 -1.916 -7.432 1.00 0.00 H new ATOM 152 N LYS A 10 -3.592 -0.522 -11.658 1.00 0.00 N ATOM 153 CA LYS A 10 -4.583 0.520 -11.899 1.00 0.00 C ATOM 154 C LYS A 10 -4.572 0.954 -13.361 1.00 0.00 C ATOM 155 O LYS A 10 -5.613 1.292 -13.926 1.00 0.00 O ATOM 156 CB LYS A 10 -4.314 1.727 -10.997 1.00 0.00 C ATOM 157 CG LYS A 10 -3.696 2.907 -11.727 1.00 0.00 C ATOM 158 CD LYS A 10 -3.309 4.017 -10.765 1.00 0.00 C ATOM 159 CE LYS A 10 -4.534 4.732 -10.216 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.177 5.598 -11.242 1.00 0.00 N ATOM 0 H LYS A 10 -2.719 -0.187 -11.250 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.566 0.111 -11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.251 2.044 -10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.651 1.424 -10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.814 2.576 -12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.403 3.292 -12.462 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.730 3.600 -9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.666 4.734 -11.275 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.254 3.996 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.246 5.339 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.899 6.194 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.457 6.203 -11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.624 5.003 -11.968 1.00 0.00 H new ATOM 174 N ILE A 11 -3.391 0.940 -13.969 1.00 0.00 N ATOM 175 CA ILE A 11 -3.247 1.329 -15.366 1.00 0.00 C ATOM 176 C ILE A 11 -3.748 0.230 -16.298 1.00 0.00 C ATOM 177 O ILE A 11 -4.357 0.509 -17.331 1.00 0.00 O ATOM 178 CB ILE A 11 -1.781 1.650 -15.713 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.879 0.465 -15.362 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.326 2.904 -14.980 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.575 0.688 -15.712 1.00 0.00 C ATOM 0 H ILE A 11 -2.520 0.663 -13.516 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.851 2.226 -15.507 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.709 1.832 -16.785 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.960 0.261 -14.294 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.238 -0.422 -15.884 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.288 3.118 -15.235 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.953 3.745 -15.275 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.410 2.748 -13.905 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.155 -0.192 -15.435 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.669 0.862 -16.784 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.951 1.555 -15.169 1.00 0.00 H new ATOM 193 N ILE A 12 -3.489 -1.018 -15.924 1.00 0.00 N ATOM 194 CA ILE A 12 -3.917 -2.159 -16.724 1.00 0.00 C ATOM 195 C ILE A 12 -5.406 -2.431 -16.541 1.00 0.00 C ATOM 196 O ILE A 12 -6.084 -2.882 -17.465 1.00 0.00 O ATOM 197 CB ILE A 12 -3.126 -3.429 -16.361 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.443 -3.862 -14.928 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.633 -3.190 -16.530 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.690 -5.099 -14.490 1.00 0.00 C ATOM 0 H ILE A 12 -2.985 -1.265 -15.072 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.722 -1.905 -17.766 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.424 -4.230 -17.037 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.206 -3.043 -14.249 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.513 -4.049 -14.842 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.088 -4.097 -16.270 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.422 -2.925 -17.566 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.318 -2.377 -15.876 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.964 -5.348 -13.465 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.945 -5.931 -15.146 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.618 -4.910 -14.544 1.00 0.00 H new ATOM 212 N SER A 13 -5.910 -2.153 -15.343 1.00 0.00 N ATOM 213 CA SER A 13 -7.320 -2.370 -15.037 1.00 0.00 C ATOM 214 C SER A 13 -8.196 -1.363 -15.775 1.00 0.00 C ATOM 215 O SER A 13 -9.270 -1.703 -16.273 1.00 0.00 O ATOM 216 CB SER A 13 -7.559 -2.264 -13.530 1.00 0.00 C ATOM 217 OG SER A 13 -7.153 -0.998 -13.037 1.00 0.00 O ATOM 0 H SER A 13 -5.363 -1.777 -14.568 1.00 0.00 H new ATOM 0 HA SER A 13 -7.589 -3.372 -15.370 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.616 -2.420 -13.314 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.009 -3.052 -13.015 1.00 0.00 H new ATOM 0 HG SER A 13 -6.185 -1.002 -12.882 1.00 0.00 H new ATOM 223 N LYS A 14 -7.731 -0.120 -15.841 1.00 0.00 N ATOM 224 CA LYS A 14 -8.470 0.939 -16.518 1.00 0.00 C ATOM 225 C LYS A 14 -8.237 0.888 -18.025 1.00 0.00 C ATOM 226 O LYS A 14 -9.074 1.338 -18.807 1.00 0.00 O ATOM 227 CB LYS A 14 -8.055 2.308 -15.974 1.00 0.00 C ATOM 228 CG LYS A 14 -8.937 3.447 -16.455 1.00 0.00 C ATOM 229 CD LYS A 14 -8.161 4.425 -17.321 1.00 0.00 C ATOM 230 CE LYS A 14 -9.016 4.963 -18.458 1.00 0.00 C ATOM 231 NZ LYS A 14 -8.224 5.802 -19.399 1.00 0.00 N ATOM 0 H LYS A 14 -6.845 0.179 -15.433 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.532 0.785 -16.326 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.076 2.278 -14.885 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.025 2.509 -16.267 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.776 3.044 -17.022 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.355 3.972 -15.596 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.806 5.253 -16.708 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.280 3.931 -17.730 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.463 4.131 -19.002 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.836 5.553 -18.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.843 6.149 -20.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.818 6.611 -18.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.457 5.233 -19.810 1.00 0.00 H new ATOM 245 N GLN A 15 -7.096 0.335 -18.424 1.00 0.00 N ATOM 246 CA GLN A 15 -6.755 0.224 -19.837 1.00 0.00 C ATOM 247 C GLN A 15 -7.477 -0.955 -20.481 1.00 0.00 C ATOM 248 O GLN A 15 -8.117 -0.810 -21.524 1.00 0.00 O ATOM 249 CB GLN A 15 -5.243 0.066 -20.007 1.00 0.00 C ATOM 250 CG GLN A 15 -4.799 -0.017 -21.459 1.00 0.00 C ATOM 251 CD GLN A 15 -5.394 1.083 -22.315 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.900 0.830 -23.409 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.337 2.314 -21.821 1.00 0.00 N ATOM 0 H GLN A 15 -6.393 -0.043 -17.789 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.076 1.139 -20.335 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.742 0.909 -19.530 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.919 -0.834 -19.485 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.711 0.039 -21.506 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.086 -0.986 -21.868 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.909 2.479 -20.910 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.722 3.095 -22.352 1.00 0.00 H new ATOM 262 N LEU A 16 -7.370 -2.121 -19.854 1.00 0.00 N ATOM 263 CA LEU A 16 -8.013 -3.326 -20.366 1.00 0.00 C ATOM 264 C LEU A 16 -8.793 -4.037 -19.265 1.00 0.00 C ATOM 265 O LEU A 16 -10.022 -4.099 -19.301 1.00 0.00 O ATOM 266 CB LEU A 16 -6.968 -4.273 -20.959 1.00 0.00 C ATOM 267 CG LEU A 16 -5.788 -3.609 -21.670 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.674 -3.302 -20.681 1.00 0.00 C ATOM 269 CD2 LEU A 16 -5.275 -4.497 -22.795 1.00 0.00 C ATOM 0 H LEU A 16 -6.844 -2.258 -18.991 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.712 -3.030 -21.148 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.577 -4.899 -20.157 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.467 -4.935 -21.666 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.131 -2.669 -22.103 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.843 -2.830 -21.204 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.047 -2.628 -19.910 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.333 -4.228 -20.219 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.435 -4.009 -23.290 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.948 -5.452 -22.384 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.073 -4.667 -23.518 1.00 0.00 H new ATOM 281 N SER A 17 -8.070 -4.571 -18.285 1.00 0.00 N ATOM 282 CA SER A 17 -8.694 -5.279 -17.173 1.00 0.00 C ATOM 283 C SER A 17 -7.647 -5.725 -16.157 1.00 0.00 C ATOM 284 O SER A 17 -6.487 -5.318 -16.224 1.00 0.00 O ATOM 285 CB SER A 17 -9.473 -6.492 -17.686 1.00 0.00 C ATOM 286 OG SER A 17 -10.735 -6.593 -17.051 1.00 0.00 O ATOM 0 H SER A 17 -7.052 -4.527 -18.239 1.00 0.00 H new ATOM 0 HA SER A 17 -9.385 -4.595 -16.680 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.610 -6.410 -18.764 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.898 -7.400 -17.506 1.00 0.00 H new ATOM 0 HG SER A 17 -11.214 -7.375 -17.397 1.00 0.00 H new ATOM 292 N VAL A 18 -8.065 -6.565 -15.216 1.00 0.00 N ATOM 293 CA VAL A 18 -7.164 -7.069 -14.186 1.00 0.00 C ATOM 294 C VAL A 18 -6.439 -8.325 -14.655 1.00 0.00 C ATOM 295 O VAL A 18 -7.062 -9.357 -14.902 1.00 0.00 O ATOM 296 CB VAL A 18 -7.923 -7.384 -12.883 1.00 0.00 C ATOM 297 CG1 VAL A 18 -8.403 -6.101 -12.221 1.00 0.00 C ATOM 298 CG2 VAL A 18 -9.089 -8.321 -13.159 1.00 0.00 C ATOM 0 H VAL A 18 -9.022 -6.911 -15.145 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.434 -6.283 -13.993 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.240 -7.884 -12.197 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.937 -6.343 -11.302 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.546 -5.470 -11.987 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.071 -5.569 -12.899 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.614 -8.533 -12.227 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.775 -7.850 -13.863 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.715 -9.252 -13.584 1.00 0.00 H new ATOM 308 N GLU A 19 -5.119 -8.230 -14.776 1.00 0.00 N ATOM 309 CA GLU A 19 -4.309 -9.359 -15.217 1.00 0.00 C ATOM 310 C GLU A 19 -3.029 -9.465 -14.393 1.00 0.00 C ATOM 311 O GLU A 19 -1.969 -9.805 -14.917 1.00 0.00 O ATOM 312 CB GLU A 19 -3.963 -9.219 -16.701 1.00 0.00 C ATOM 313 CG GLU A 19 -3.471 -7.834 -17.083 1.00 0.00 C ATOM 314 CD GLU A 19 -3.338 -7.655 -18.583 1.00 0.00 C ATOM 315 OE1 GLU A 19 -2.381 -8.210 -19.163 1.00 0.00 O ATOM 316 OE2 GLU A 19 -4.190 -6.961 -19.177 1.00 0.00 O ATOM 0 H GLU A 19 -4.588 -7.383 -14.575 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.891 -10.269 -15.072 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.197 -9.951 -16.957 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.845 -9.459 -17.295 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.161 -7.087 -16.692 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.505 -7.653 -16.612 1.00 0.00 H new ATOM 323 N GLU A 20 -3.137 -9.171 -13.101 1.00 0.00 N ATOM 324 CA GLU A 20 -1.988 -9.232 -12.206 1.00 0.00 C ATOM 325 C GLU A 20 -1.601 -10.679 -11.915 1.00 0.00 C ATOM 326 O GLU A 20 -0.524 -10.950 -11.383 1.00 0.00 O ATOM 327 CB GLU A 20 -2.295 -8.502 -10.896 1.00 0.00 C ATOM 328 CG GLU A 20 -2.778 -7.074 -11.094 1.00 0.00 C ATOM 329 CD GLU A 20 -4.139 -6.828 -10.473 1.00 0.00 C ATOM 330 OE1 GLU A 20 -4.262 -6.961 -9.238 1.00 0.00 O ATOM 331 OE2 GLU A 20 -5.082 -6.501 -11.224 1.00 0.00 O ATOM 0 H GLU A 20 -4.008 -8.888 -12.651 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.149 -8.742 -12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.054 -9.061 -10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.398 -8.491 -10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.054 -6.386 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.824 -6.855 -12.161 1.00 0.00 H new ATOM 338 N ASP A 21 -2.487 -11.604 -12.268 1.00 0.00 N ATOM 339 CA ASP A 21 -2.238 -13.024 -12.046 1.00 0.00 C ATOM 340 C ASP A 21 -1.819 -13.711 -13.342 1.00 0.00 C ATOM 341 O ASP A 21 -2.329 -14.778 -13.684 1.00 0.00 O ATOM 342 CB ASP A 21 -3.487 -13.699 -11.477 1.00 0.00 C ATOM 343 CG ASP A 21 -3.167 -14.991 -10.751 1.00 0.00 C ATOM 344 OD1 ASP A 21 -2.078 -15.078 -10.145 1.00 0.00 O ATOM 345 OD2 ASP A 21 -4.006 -15.915 -10.787 1.00 0.00 O ATOM 0 H ASP A 21 -3.383 -11.396 -12.709 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.424 -13.117 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.986 -13.014 -10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.186 -13.905 -12.287 1.00 0.00 H new ATOM 350 N LYS A 22 -0.888 -13.092 -14.059 1.00 0.00 N ATOM 351 CA LYS A 22 -0.399 -13.643 -15.317 1.00 0.00 C ATOM 352 C LYS A 22 0.652 -12.730 -15.940 1.00 0.00 C ATOM 353 O LYS A 22 1.585 -13.197 -16.593 1.00 0.00 O ATOM 354 CB LYS A 22 -1.559 -13.843 -16.295 1.00 0.00 C ATOM 355 CG LYS A 22 -2.663 -12.810 -16.149 1.00 0.00 C ATOM 356 CD LYS A 22 -3.245 -12.421 -17.497 1.00 0.00 C ATOM 357 CE LYS A 22 -3.805 -13.628 -18.233 1.00 0.00 C ATOM 358 NZ LYS A 22 -4.719 -13.230 -19.338 1.00 0.00 N ATOM 0 H LYS A 22 -0.457 -12.208 -13.790 1.00 0.00 H new ATOM 0 HA LYS A 22 0.062 -14.608 -15.106 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.174 -13.809 -17.314 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.981 -14.837 -16.147 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.453 -13.208 -15.512 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.269 -11.923 -15.652 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.034 -11.683 -17.354 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.473 -11.949 -18.105 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.984 -14.220 -18.637 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.342 -14.265 -17.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.079 -14.081 -19.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.517 -12.687 -18.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.201 -12.643 -20.023 1.00 0.00 H new ATOM 372 N ILE A 23 0.495 -11.427 -15.731 1.00 0.00 N ATOM 373 CA ILE A 23 1.433 -10.449 -16.269 1.00 0.00 C ATOM 374 C ILE A 23 2.763 -10.494 -15.524 1.00 0.00 C ATOM 375 O ILE A 23 3.809 -10.165 -16.083 1.00 0.00 O ATOM 376 CB ILE A 23 0.862 -9.021 -16.192 1.00 0.00 C ATOM 377 CG1 ILE A 23 1.188 -8.248 -17.472 1.00 0.00 C ATOM 378 CG2 ILE A 23 1.414 -8.295 -14.974 1.00 0.00 C ATOM 379 CD1 ILE A 23 2.668 -8.183 -17.778 1.00 0.00 C ATOM 0 H ILE A 23 -0.272 -11.024 -15.193 1.00 0.00 H new ATOM 0 HA ILE A 23 1.597 -10.711 -17.314 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.222 -9.084 -16.094 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.672 -8.716 -18.311 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.799 -7.234 -17.384 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.001 -7.287 -14.933 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.136 -8.838 -14.070 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.500 -8.240 -15.045 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.825 -7.621 -18.698 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.188 -7.688 -16.957 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.059 -9.193 -17.899 1.00 0.00 H new ATOM 391 N GLN A 24 2.714 -10.906 -14.261 1.00 0.00 N ATOM 392 CA GLN A 24 3.916 -10.995 -13.441 1.00 0.00 C ATOM 393 C GLN A 24 4.667 -12.294 -13.715 1.00 0.00 C ATOM 394 O GLN A 24 4.921 -13.080 -12.802 1.00 0.00 O ATOM 395 CB GLN A 24 3.553 -10.905 -11.957 1.00 0.00 C ATOM 396 CG GLN A 24 2.497 -11.910 -11.527 1.00 0.00 C ATOM 397 CD GLN A 24 3.076 -13.055 -10.719 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.814 -12.841 -9.757 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.742 -14.281 -11.106 1.00 0.00 N ATOM 0 H GLN A 24 1.856 -11.183 -13.784 1.00 0.00 H new ATOM 0 HA GLN A 24 4.566 -10.160 -13.701 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.453 -11.059 -11.361 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.195 -9.899 -11.739 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.736 -11.401 -10.935 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.999 -12.309 -12.411 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.127 -14.413 -11.909 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.100 -15.091 -10.600 1.00 0.00 H new ATOM 408 N MET A 25 5.019 -12.513 -14.978 1.00 0.00 N ATOM 409 CA MET A 25 5.741 -13.717 -15.371 1.00 0.00 C ATOM 410 C MET A 25 7.231 -13.578 -15.076 1.00 0.00 C ATOM 411 O MET A 25 8.012 -14.495 -15.327 1.00 0.00 O ATOM 412 CB MET A 25 5.529 -14.001 -16.859 1.00 0.00 C ATOM 413 CG MET A 25 4.396 -14.976 -17.136 1.00 0.00 C ATOM 414 SD MET A 25 4.982 -16.652 -17.450 1.00 0.00 S ATOM 415 CE MET A 25 3.992 -17.582 -16.283 1.00 0.00 C ATOM 0 H MET A 25 4.816 -11.873 -15.746 1.00 0.00 H new ATOM 0 HA MET A 25 5.350 -14.552 -14.789 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.324 -13.063 -17.374 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.452 -14.400 -17.279 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.715 -14.987 -16.285 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.825 -14.628 -17.997 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.241 -18.641 -16.357 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.197 -17.231 -15.271 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.935 -17.441 -16.509 1.00 0.00 H new ATOM 425 N ASN A 26 7.619 -12.424 -14.542 1.00 0.00 N ATOM 426 CA ASN A 26 9.016 -12.165 -14.213 1.00 0.00 C ATOM 427 C ASN A 26 9.882 -12.177 -15.469 1.00 0.00 C ATOM 428 O ASN A 26 11.105 -12.284 -15.391 1.00 0.00 O ATOM 429 CB ASN A 26 9.529 -13.206 -13.217 1.00 0.00 C ATOM 430 CG ASN A 26 9.992 -12.582 -11.915 1.00 0.00 C ATOM 431 OD1 ASN A 26 11.188 -12.379 -11.702 1.00 0.00 O ATOM 432 ND2 ASN A 26 9.045 -12.274 -11.036 1.00 0.00 N ATOM 0 H ASN A 26 6.986 -11.654 -14.328 1.00 0.00 H new ATOM 0 HA ASN A 26 9.079 -11.176 -13.759 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.738 -13.927 -13.010 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.355 -13.758 -13.666 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.297 -11.851 -10.142 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.066 -12.460 -11.255 1.00 0.00 H new ATOM 439 N SER A 27 9.237 -12.066 -16.627 1.00 0.00 N ATOM 440 CA SER A 27 9.947 -12.068 -17.900 1.00 0.00 C ATOM 441 C SER A 27 9.788 -10.728 -18.613 1.00 0.00 C ATOM 442 O SER A 27 10.691 -9.893 -18.596 1.00 0.00 O ATOM 443 CB SER A 27 9.432 -13.198 -18.794 1.00 0.00 C ATOM 444 OG SER A 27 9.829 -14.463 -18.295 1.00 0.00 O ATOM 0 H SER A 27 8.224 -11.974 -16.709 1.00 0.00 H new ATOM 0 HA SER A 27 11.006 -12.229 -17.697 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.345 -13.152 -18.854 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.813 -13.067 -19.807 1.00 0.00 H new ATOM 0 HG SER A 27 9.383 -15.171 -18.805 1.00 0.00 H new ATOM 450 N ASN A 28 8.632 -10.531 -19.238 1.00 0.00 N ATOM 451 CA ASN A 28 8.353 -9.294 -19.957 1.00 0.00 C ATOM 452 C ASN A 28 6.859 -8.985 -19.949 1.00 0.00 C ATOM 453 O ASN A 28 6.033 -9.864 -19.700 1.00 0.00 O ATOM 454 CB ASN A 28 8.857 -9.392 -21.398 1.00 0.00 C ATOM 455 CG ASN A 28 10.034 -10.338 -21.536 1.00 0.00 C ATOM 456 OD1 ASN A 28 11.190 -9.924 -21.446 1.00 0.00 O ATOM 457 ND2 ASN A 28 9.745 -11.615 -21.755 1.00 0.00 N ATOM 0 H ASN A 28 7.873 -11.212 -19.261 1.00 0.00 H new ATOM 0 HA ASN A 28 8.876 -8.483 -19.451 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.045 -9.730 -22.042 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.148 -8.401 -21.746 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.496 -12.298 -21.856 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.772 -11.913 -21.822 1.00 0.00 H new ATOM 464 N PHE A 29 6.518 -7.730 -20.224 1.00 0.00 N ATOM 465 CA PHE A 29 5.124 -7.304 -20.248 1.00 0.00 C ATOM 466 C PHE A 29 4.492 -7.587 -21.607 1.00 0.00 C ATOM 467 O PHE A 29 3.595 -8.423 -21.727 1.00 0.00 O ATOM 468 CB PHE A 29 5.018 -5.812 -19.924 1.00 0.00 C ATOM 469 CG PHE A 29 4.460 -5.533 -18.558 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.201 -5.815 -17.422 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.195 -4.988 -18.410 1.00 0.00 C ATOM 472 CE1 PHE A 29 4.691 -5.559 -16.163 1.00 0.00 C ATOM 473 CE2 PHE A 29 2.680 -4.730 -17.154 1.00 0.00 C ATOM 474 CZ PHE A 29 3.428 -5.016 -16.029 1.00 0.00 C ATOM 0 H PHE A 29 7.188 -6.990 -20.433 1.00 0.00 H new ATOM 0 HA PHE A 29 4.584 -7.872 -19.491 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.007 -5.360 -20.003 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.387 -5.330 -20.671 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.189 -6.240 -17.521 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.605 -4.762 -19.286 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.279 -5.783 -15.285 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.693 -4.305 -17.052 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.026 -4.816 -15.047 1.00 0.00 H new ATOM 484 N THR A 30 4.965 -6.884 -22.631 1.00 0.00 N ATOM 485 CA THR A 30 4.447 -7.057 -23.982 1.00 0.00 C ATOM 486 C THR A 30 5.367 -7.941 -24.815 1.00 0.00 C ATOM 487 O THR A 30 5.243 -8.007 -26.039 1.00 0.00 O ATOM 488 CB THR A 30 4.272 -5.702 -24.695 1.00 0.00 C ATOM 489 OG1 THR A 30 3.734 -5.905 -26.006 1.00 0.00 O ATOM 490 CG2 THR A 30 5.601 -4.968 -24.795 1.00 0.00 C ATOM 0 H THR A 30 5.707 -6.189 -22.550 1.00 0.00 H new ATOM 0 HA THR A 30 3.473 -7.538 -23.887 1.00 0.00 H new ATOM 0 HB THR A 30 3.582 -5.094 -24.109 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.291 -6.549 -26.492 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.453 -4.014 -25.302 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.994 -4.790 -23.794 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.309 -5.573 -25.361 1.00 0.00 H new ATOM 498 N LYS A 31 6.292 -8.622 -24.146 1.00 0.00 N ATOM 499 CA LYS A 31 7.233 -9.505 -24.823 1.00 0.00 C ATOM 500 C LYS A 31 7.107 -10.935 -24.306 1.00 0.00 C ATOM 501 O LYS A 31 7.702 -11.860 -24.859 1.00 0.00 O ATOM 502 CB LYS A 31 8.666 -9.005 -24.626 1.00 0.00 C ATOM 503 CG LYS A 31 8.747 -7.574 -24.125 1.00 0.00 C ATOM 504 CD LYS A 31 10.186 -7.144 -23.895 1.00 0.00 C ATOM 505 CE LYS A 31 10.907 -6.886 -25.209 1.00 0.00 C ATOM 506 NZ LYS A 31 12.387 -6.931 -25.048 1.00 0.00 N ATOM 0 H LYS A 31 6.409 -8.579 -23.134 1.00 0.00 H new ATOM 0 HA LYS A 31 6.996 -9.500 -25.887 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.176 -9.658 -23.918 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.202 -9.081 -25.572 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.278 -6.907 -24.849 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.185 -7.481 -23.195 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.204 -6.241 -23.285 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.713 -7.917 -23.335 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.599 -7.629 -25.944 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.614 -5.911 -25.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.842 -6.750 -25.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.684 -6.205 -24.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.670 -7.869 -24.700 1.00 0.00 H new ATOM 520 N ASP A 32 6.328 -11.108 -23.244 1.00 0.00 N ATOM 521 CA ASP A 32 6.121 -12.425 -22.654 1.00 0.00 C ATOM 522 C ASP A 32 4.737 -12.965 -23.001 1.00 0.00 C ATOM 523 O ASP A 32 4.607 -13.933 -23.752 1.00 0.00 O ATOM 524 CB ASP A 32 6.291 -12.360 -21.135 1.00 0.00 C ATOM 525 CG ASP A 32 6.608 -13.713 -20.530 1.00 0.00 C ATOM 526 OD1 ASP A 32 7.682 -14.267 -20.845 1.00 0.00 O ATOM 527 OD2 ASP A 32 5.784 -14.217 -19.739 1.00 0.00 O ATOM 0 H ASP A 32 5.829 -10.352 -22.774 1.00 0.00 H new ATOM 0 HA ASP A 32 6.869 -13.102 -23.067 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.090 -11.660 -20.891 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.378 -11.970 -20.686 1.00 0.00 H new ATOM 532 N LEU A 33 3.706 -12.335 -22.449 1.00 0.00 N ATOM 533 CA LEU A 33 2.331 -12.752 -22.699 1.00 0.00 C ATOM 534 C LEU A 33 1.910 -12.414 -24.126 1.00 0.00 C ATOM 535 O LEU A 33 1.215 -13.190 -24.779 1.00 0.00 O ATOM 536 CB LEU A 33 1.384 -12.080 -21.703 1.00 0.00 C ATOM 537 CG LEU A 33 1.515 -10.562 -21.572 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.214 -9.879 -21.963 1.00 0.00 C ATOM 539 CD2 LEU A 33 1.914 -10.182 -20.154 1.00 0.00 C ATOM 0 H LEU A 33 3.796 -11.533 -21.825 1.00 0.00 H new ATOM 0 HA LEU A 33 2.276 -13.833 -22.570 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.359 -12.313 -21.993 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.546 -12.525 -20.721 1.00 0.00 H new ATOM 0 HG LEU A 33 2.298 -10.224 -22.251 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.326 -8.799 -21.864 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.030 -10.125 -22.997 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.588 -10.222 -21.309 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.003 -9.098 -20.079 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.154 -10.533 -19.456 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.871 -10.642 -19.910 1.00 0.00 H new ATOM 551 N GLY A 34 2.339 -11.249 -24.603 1.00 0.00 N ATOM 552 CA GLY A 34 1.998 -10.830 -25.950 1.00 0.00 C ATOM 553 C GLY A 34 0.605 -10.240 -26.039 1.00 0.00 C ATOM 554 O GLY A 34 -0.229 -10.714 -26.810 1.00 0.00 O ATOM 0 H GLY A 34 2.916 -10.589 -24.081 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.724 -10.093 -26.292 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.071 -11.685 -26.622 1.00 0.00 H new ATOM 558 N ALA A 35 0.351 -9.203 -25.247 1.00 0.00 N ATOM 559 CA ALA A 35 -0.951 -8.548 -25.240 1.00 0.00 C ATOM 560 C ALA A 35 -1.099 -7.608 -26.432 1.00 0.00 C ATOM 561 O ALA A 35 -1.782 -7.927 -27.405 1.00 0.00 O ATOM 562 CB ALA A 35 -1.152 -7.788 -23.937 1.00 0.00 C ATOM 0 H ALA A 35 1.030 -8.799 -24.602 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.718 -9.318 -25.321 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.128 -7.304 -23.945 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.099 -8.483 -23.099 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.373 -7.033 -23.832 1.00 0.00 H new ATOM 568 N ASP A 36 -0.456 -6.449 -26.348 1.00 0.00 N ATOM 569 CA ASP A 36 -0.516 -5.463 -27.421 1.00 0.00 C ATOM 570 C ASP A 36 0.438 -4.304 -27.147 1.00 0.00 C ATOM 571 O ASP A 36 0.473 -3.717 -26.067 1.00 0.00 O ATOM 572 CB ASP A 36 -1.944 -4.938 -27.581 1.00 0.00 C ATOM 573 CG ASP A 36 -2.527 -5.254 -28.944 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.954 -6.409 -29.154 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.557 -4.346 -29.800 1.00 0.00 O ATOM 0 H ASP A 36 0.113 -6.169 -25.549 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.211 -5.950 -28.347 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.577 -5.374 -26.808 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.951 -3.859 -27.427 1.00 0.00 H new ATOM 580 N SER A 37 1.250 -3.951 -28.159 1.00 0.00 N ATOM 581 CA SER A 37 2.261 -2.870 -28.132 1.00 0.00 C ATOM 582 C SER A 37 1.678 -1.523 -27.672 1.00 0.00 C ATOM 583 O SER A 37 2.220 -0.847 -26.797 1.00 0.00 O ATOM 584 CB SER A 37 2.860 -2.780 -29.544 1.00 0.00 C ATOM 585 OG SER A 37 1.883 -2.343 -30.491 1.00 0.00 O ATOM 0 H SER A 37 1.221 -4.430 -29.059 1.00 0.00 H new ATOM 0 HA SER A 37 3.033 -3.104 -27.399 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.703 -2.089 -29.541 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.248 -3.755 -29.841 1.00 0.00 H new ATOM 0 HG SER A 37 2.290 -2.292 -31.381 1.00 0.00 H new ATOM 590 N LEU A 38 0.560 -1.150 -28.285 1.00 0.00 N ATOM 591 CA LEU A 38 -0.110 0.104 -27.958 1.00 0.00 C ATOM 592 C LEU A 38 -0.704 0.054 -26.554 1.00 0.00 C ATOM 593 O LEU A 38 -0.608 1.017 -25.794 1.00 0.00 O ATOM 594 CB LEU A 38 -1.209 0.400 -28.979 1.00 0.00 C ATOM 595 CG LEU A 38 -0.886 0.054 -30.433 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.458 -1.307 -30.799 1.00 0.00 C ATOM 597 CD2 LEU A 38 -1.420 1.128 -31.369 1.00 0.00 C ATOM 0 H LEU A 38 0.098 -1.698 -29.011 1.00 0.00 H new ATOM 0 HA LEU A 38 0.631 0.902 -27.991 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.105 -0.147 -28.687 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.451 1.461 -28.924 1.00 0.00 H new ATOM 0 HG LEU A 38 0.198 0.011 -30.543 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.218 -1.535 -31.837 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.026 -2.069 -30.151 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.540 -1.293 -30.672 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.181 0.865 -32.399 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.501 1.204 -31.256 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.961 2.086 -31.123 1.00 0.00 H new ATOM 609 N ASP A 39 -1.316 -1.076 -26.217 1.00 0.00 N ATOM 610 CA ASP A 39 -1.923 -1.253 -24.903 1.00 0.00 C ATOM 611 C ASP A 39 -0.888 -1.071 -23.797 1.00 0.00 C ATOM 612 O ASP A 39 -1.062 -0.247 -22.899 1.00 0.00 O ATOM 613 CB ASP A 39 -2.563 -2.638 -24.796 1.00 0.00 C ATOM 614 CG ASP A 39 -3.721 -2.817 -25.759 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.051 -1.849 -26.475 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.298 -3.924 -25.795 1.00 0.00 O ATOM 0 H ASP A 39 -1.405 -1.883 -26.835 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.695 -0.494 -24.782 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.809 -3.400 -24.994 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.915 -2.795 -23.776 1.00 0.00 H new ATOM 621 N LEU A 40 0.188 -1.847 -23.868 1.00 0.00 N ATOM 622 CA LEU A 40 1.252 -1.773 -22.872 1.00 0.00 C ATOM 623 C LEU A 40 1.790 -0.350 -22.755 1.00 0.00 C ATOM 624 O LEU A 40 2.020 0.149 -21.653 1.00 0.00 O ATOM 625 CB LEU A 40 2.387 -2.731 -23.237 1.00 0.00 C ATOM 626 CG LEU A 40 2.904 -3.620 -22.106 1.00 0.00 C ATOM 627 CD1 LEU A 40 3.202 -2.789 -20.867 1.00 0.00 C ATOM 628 CD2 LEU A 40 1.898 -4.716 -21.786 1.00 0.00 C ATOM 0 H LEU A 40 0.347 -2.535 -24.604 1.00 0.00 H new ATOM 0 HA LEU A 40 0.835 -2.065 -21.908 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.047 -3.372 -24.050 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.221 -2.144 -23.622 1.00 0.00 H new ATOM 0 HG LEU A 40 3.831 -4.090 -22.435 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.569 -3.439 -20.073 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.960 -2.042 -21.104 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.291 -2.290 -20.536 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.283 -5.339 -20.979 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.955 -4.265 -21.478 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.735 -5.330 -22.672 1.00 0.00 H new ATOM 640 N VAL A 41 1.985 0.299 -23.898 1.00 0.00 N ATOM 641 CA VAL A 41 2.493 1.666 -23.924 1.00 0.00 C ATOM 642 C VAL A 41 1.469 2.643 -23.357 1.00 0.00 C ATOM 643 O VAL A 41 1.825 3.717 -22.873 1.00 0.00 O ATOM 644 CB VAL A 41 2.863 2.100 -25.355 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.251 3.570 -25.384 1.00 0.00 C ATOM 646 CG2 VAL A 41 3.987 1.232 -25.901 1.00 0.00 C ATOM 0 H VAL A 41 1.799 -0.099 -24.818 1.00 0.00 H new ATOM 0 HA VAL A 41 3.389 1.683 -23.304 1.00 0.00 H new ATOM 0 HB VAL A 41 1.990 1.967 -25.993 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.509 3.858 -26.403 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.413 4.174 -25.037 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.110 3.733 -24.733 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.236 1.553 -26.913 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.865 1.330 -25.263 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.666 0.190 -25.919 1.00 0.00 H new ATOM 656 N GLU A 42 0.197 2.262 -23.421 1.00 0.00 N ATOM 657 CA GLU A 42 -0.878 3.106 -22.913 1.00 0.00 C ATOM 658 C GLU A 42 -0.895 3.107 -21.388 1.00 0.00 C ATOM 659 O GLU A 42 -0.677 4.140 -20.754 1.00 0.00 O ATOM 660 CB GLU A 42 -2.229 2.626 -23.449 1.00 0.00 C ATOM 661 CG GLU A 42 -2.750 3.452 -24.613 1.00 0.00 C ATOM 662 CD GLU A 42 -3.266 4.811 -24.179 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.285 5.077 -22.960 1.00 0.00 O ATOM 664 OE2 GLU A 42 -3.652 5.607 -25.061 1.00 0.00 O ATOM 0 H GLU A 42 -0.114 1.376 -23.819 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.699 4.125 -23.257 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.137 1.587 -23.764 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.960 2.650 -22.641 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.953 3.587 -25.344 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.551 2.906 -25.112 1.00 0.00 H new ATOM 671 N LEU A 43 -1.156 1.942 -20.804 1.00 0.00 N ATOM 672 CA LEU A 43 -1.202 1.807 -19.352 1.00 0.00 C ATOM 673 C LEU A 43 0.058 2.380 -18.712 1.00 0.00 C ATOM 674 O LEU A 43 0.000 2.997 -17.648 1.00 0.00 O ATOM 675 CB LEU A 43 -1.363 0.337 -18.962 1.00 0.00 C ATOM 676 CG LEU A 43 -0.353 -0.634 -19.574 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.661 -1.077 -18.531 1.00 0.00 C ATOM 678 CD2 LEU A 43 -1.067 -1.838 -20.172 1.00 0.00 C ATOM 0 H LEU A 43 -1.339 1.078 -21.314 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.061 2.370 -18.986 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.299 0.261 -17.877 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.365 0.014 -19.245 1.00 0.00 H new ATOM 0 HG LEU A 43 0.180 -0.119 -20.373 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.372 -1.768 -18.985 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.194 -0.206 -18.149 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.145 -1.575 -17.710 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.333 -2.519 -20.603 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.626 -2.354 -19.392 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.754 -1.504 -20.950 1.00 0.00 H new ATOM 690 N ILE A 44 1.195 2.174 -19.367 1.00 0.00 N ATOM 691 CA ILE A 44 2.469 2.673 -18.864 1.00 0.00 C ATOM 692 C ILE A 44 2.498 4.197 -18.858 1.00 0.00 C ATOM 693 O ILE A 44 2.864 4.817 -17.860 1.00 0.00 O ATOM 694 CB ILE A 44 3.650 2.150 -19.703 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.882 0.663 -19.427 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.907 2.953 -19.404 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.920 0.036 -20.330 1.00 0.00 C ATOM 0 H ILE A 44 1.260 1.664 -20.248 1.00 0.00 H new ATOM 0 HA ILE A 44 2.571 2.306 -17.843 1.00 0.00 H new ATOM 0 HB ILE A 44 3.408 2.270 -20.759 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.192 0.538 -18.389 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.939 0.129 -19.545 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.733 2.572 -20.004 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.735 4.002 -19.647 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.154 2.861 -18.346 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.032 -1.018 -20.078 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.603 0.129 -21.369 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.874 0.545 -20.195 1.00 0.00 H new ATOM 709 N MET A 45 2.109 4.795 -19.980 1.00 0.00 N ATOM 710 CA MET A 45 2.088 6.248 -20.103 1.00 0.00 C ATOM 711 C MET A 45 1.303 6.880 -18.958 1.00 0.00 C ATOM 712 O MET A 45 1.572 8.013 -18.560 1.00 0.00 O ATOM 713 CB MET A 45 1.476 6.659 -21.444 1.00 0.00 C ATOM 714 CG MET A 45 -0.020 6.919 -21.375 1.00 0.00 C ATOM 715 SD MET A 45 -0.409 8.655 -21.077 1.00 0.00 S ATOM 716 CE MET A 45 -1.306 9.062 -22.572 1.00 0.00 C ATOM 0 H MET A 45 1.804 4.296 -20.816 1.00 0.00 H new ATOM 0 HA MET A 45 3.116 6.606 -20.056 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.977 7.559 -21.802 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.667 5.875 -22.177 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.484 6.602 -22.309 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.454 6.312 -20.581 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.615 10.107 -22.538 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.663 8.902 -23.437 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.187 8.426 -22.652 1.00 0.00 H new ATOM 726 N ALA A 46 0.333 6.139 -18.433 1.00 0.00 N ATOM 727 CA ALA A 46 -0.490 6.627 -17.332 1.00 0.00 C ATOM 728 C ALA A 46 0.244 6.503 -16.002 1.00 0.00 C ATOM 729 O ALA A 46 0.169 7.393 -15.153 1.00 0.00 O ATOM 730 CB ALA A 46 -1.808 5.869 -17.283 1.00 0.00 C ATOM 0 H ALA A 46 0.097 5.199 -18.752 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.697 7.683 -17.505 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.412 6.243 -16.457 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.346 6.013 -18.220 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.612 4.807 -17.137 1.00 0.00 H new ATOM 736 N LEU A 47 0.954 5.394 -15.824 1.00 0.00 N ATOM 737 CA LEU A 47 1.702 5.153 -14.595 1.00 0.00 C ATOM 738 C LEU A 47 2.683 6.289 -14.322 1.00 0.00 C ATOM 739 O LEU A 47 2.807 6.756 -13.191 1.00 0.00 O ATOM 740 CB LEU A 47 2.456 3.825 -14.686 1.00 0.00 C ATOM 741 CG LEU A 47 2.420 2.946 -13.435 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.077 1.602 -13.708 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.102 3.648 -12.270 1.00 0.00 C ATOM 0 H LEU A 47 1.027 4.648 -16.515 1.00 0.00 H new ATOM 0 HA LEU A 47 0.991 5.105 -13.770 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.046 3.254 -15.519 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.498 4.037 -14.927 1.00 0.00 H new ATOM 0 HG LEU A 47 1.378 2.770 -13.168 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.042 0.990 -12.807 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.545 1.094 -14.512 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.115 1.757 -14.001 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.067 3.008 -11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.141 3.854 -12.527 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.588 4.585 -12.058 1.00 0.00 H new ATOM 755 N GLU A 48 3.375 6.731 -15.368 1.00 0.00 N ATOM 756 CA GLU A 48 4.343 7.814 -15.241 1.00 0.00 C ATOM 757 C GLU A 48 3.638 9.155 -15.061 1.00 0.00 C ATOM 758 O GLU A 48 3.997 9.944 -14.188 1.00 0.00 O ATOM 759 CB GLU A 48 5.251 7.863 -16.471 1.00 0.00 C ATOM 760 CG GLU A 48 5.977 9.188 -16.639 1.00 0.00 C ATOM 761 CD GLU A 48 5.287 10.109 -17.626 1.00 0.00 C ATOM 762 OE1 GLU A 48 5.110 9.702 -18.793 1.00 0.00 O ATOM 763 OE2 GLU A 48 4.924 11.237 -17.231 1.00 0.00 O ATOM 0 H GLU A 48 3.283 6.356 -16.312 1.00 0.00 H new ATOM 0 HA GLU A 48 4.951 7.622 -14.357 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.986 7.062 -16.401 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.653 7.670 -17.362 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.047 9.685 -15.671 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.997 9.000 -16.975 1.00 0.00 H new ATOM 770 N GLU A 49 2.633 9.405 -15.895 1.00 0.00 N ATOM 771 CA GLU A 49 1.879 10.651 -15.829 1.00 0.00 C ATOM 772 C GLU A 49 1.388 10.916 -14.408 1.00 0.00 C ATOM 773 O GLU A 49 1.226 12.066 -13.999 1.00 0.00 O ATOM 774 CB GLU A 49 0.690 10.605 -16.791 1.00 0.00 C ATOM 775 CG GLU A 49 0.209 11.978 -17.231 1.00 0.00 C ATOM 776 CD GLU A 49 1.194 12.673 -18.151 1.00 0.00 C ATOM 777 OE1 GLU A 49 2.203 12.040 -18.527 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.956 13.850 -18.495 1.00 0.00 O ATOM 0 H GLU A 49 2.323 8.762 -16.623 1.00 0.00 H new ATOM 0 HA GLU A 49 2.543 11.464 -16.123 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.969 10.027 -17.672 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.134 10.077 -16.311 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.749 11.877 -17.740 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.039 12.599 -16.351 1.00 0.00 H new ATOM 785 N LYS A 50 1.152 9.843 -13.661 1.00 0.00 N ATOM 786 CA LYS A 50 0.680 9.956 -12.286 1.00 0.00 C ATOM 787 C LYS A 50 1.853 10.037 -11.314 1.00 0.00 C ATOM 788 O LYS A 50 1.841 10.836 -10.376 1.00 0.00 O ATOM 789 CB LYS A 50 -0.210 8.764 -11.931 1.00 0.00 C ATOM 790 CG LYS A 50 -0.726 8.794 -10.502 1.00 0.00 C ATOM 791 CD LYS A 50 -1.237 7.432 -10.065 1.00 0.00 C ATOM 792 CE LYS A 50 -2.319 7.557 -9.003 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.594 8.078 -9.568 1.00 0.00 N ATOM 0 H LYS A 50 1.280 8.884 -13.985 1.00 0.00 H new ATOM 0 HA LYS A 50 0.097 10.873 -12.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.059 8.739 -12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.352 7.843 -12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.072 9.116 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.527 9.528 -10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.633 6.897 -10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.409 6.840 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.495 6.582 -8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.975 8.221 -8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.380 7.838 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.533 9.111 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.761 7.649 -10.501 1.00 0.00 H new ATOM 807 N PHE A 51 2.864 9.206 -11.543 1.00 0.00 N ATOM 808 CA PHE A 51 4.045 9.184 -10.687 1.00 0.00 C ATOM 809 C PHE A 51 4.803 10.506 -10.773 1.00 0.00 C ATOM 810 O PHE A 51 5.606 10.830 -9.899 1.00 0.00 O ATOM 811 CB PHE A 51 4.966 8.028 -11.082 1.00 0.00 C ATOM 812 CG PHE A 51 5.094 6.974 -10.020 1.00 0.00 C ATOM 813 CD1 PHE A 51 5.298 7.327 -8.696 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.011 5.630 -10.346 1.00 0.00 C ATOM 815 CE1 PHE A 51 5.416 6.360 -7.716 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.128 4.658 -9.370 1.00 0.00 C ATOM 817 CZ PHE A 51 5.332 5.023 -8.054 1.00 0.00 C ATOM 0 H PHE A 51 2.890 8.539 -12.314 1.00 0.00 H new ATOM 0 HA PHE A 51 3.715 9.041 -9.658 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.588 7.568 -11.995 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.955 8.424 -11.311 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.366 8.371 -8.427 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.853 5.339 -11.374 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.574 6.649 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.060 3.614 -9.637 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.426 4.265 -7.290 1.00 0.00 H new ATOM 827 N ASN A 52 4.542 11.264 -11.833 1.00 0.00 N ATOM 828 CA ASN A 52 5.200 12.550 -12.034 1.00 0.00 C ATOM 829 C ASN A 52 6.688 12.361 -12.313 1.00 0.00 C ATOM 830 O ASN A 52 7.537 12.837 -11.558 1.00 0.00 O ATOM 831 CB ASN A 52 5.008 13.442 -10.806 1.00 0.00 C ATOM 832 CG ASN A 52 5.275 14.904 -11.106 1.00 0.00 C ATOM 833 OD1 ASN A 52 5.930 15.237 -12.094 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.768 15.785 -10.252 1.00 0.00 N ATOM 0 H ASN A 52 3.880 11.010 -12.566 1.00 0.00 H new ATOM 0 HA ASN A 52 4.745 13.032 -12.899 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.989 13.330 -10.435 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.675 13.109 -10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.915 16.783 -10.402 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.231 15.464 -9.446 1.00 0.00 H new ATOM 841 N VAL A 53 6.997 11.665 -13.402 1.00 0.00 N ATOM 842 CA VAL A 53 8.382 11.415 -13.782 1.00 0.00 C ATOM 843 C VAL A 53 8.640 11.835 -15.225 1.00 0.00 C ATOM 844 O VAL A 53 7.814 12.504 -15.846 1.00 0.00 O ATOM 845 CB VAL A 53 8.749 9.928 -13.619 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.923 9.770 -12.664 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.547 9.133 -13.134 1.00 0.00 C ATOM 0 H VAL A 53 6.307 11.264 -14.037 1.00 0.00 H new ATOM 0 HA VAL A 53 9.006 12.011 -13.116 1.00 0.00 H new ATOM 0 HB VAL A 53 9.047 9.536 -14.592 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.168 8.713 -12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.787 10.306 -13.057 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.656 10.177 -11.689 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.824 8.085 -13.024 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.217 9.524 -12.171 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.737 9.220 -13.858 1.00 0.00 H new ATOM 857 N THR A 54 9.793 11.438 -15.754 1.00 0.00 N ATOM 858 CA THR A 54 10.162 11.773 -17.123 1.00 0.00 C ATOM 859 C THR A 54 10.550 10.526 -17.909 1.00 0.00 C ATOM 860 O THR A 54 11.622 10.470 -18.513 1.00 0.00 O ATOM 861 CB THR A 54 11.332 12.775 -17.161 1.00 0.00 C ATOM 862 OG1 THR A 54 11.674 13.078 -18.518 1.00 0.00 O ATOM 863 CG2 THR A 54 12.548 12.214 -16.439 1.00 0.00 C ATOM 0 H THR A 54 10.488 10.883 -15.254 1.00 0.00 H new ATOM 0 HA THR A 54 9.286 12.231 -17.583 1.00 0.00 H new ATOM 0 HB THR A 54 11.017 13.687 -16.654 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.000 12.267 -18.962 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.361 12.939 -16.479 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.292 12.012 -15.399 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.863 11.289 -16.921 1.00 0.00 H new ATOM 871 N ILE A 55 9.672 9.529 -17.899 1.00 0.00 N ATOM 872 CA ILE A 55 9.924 8.283 -18.613 1.00 0.00 C ATOM 873 C ILE A 55 9.149 8.236 -19.925 1.00 0.00 C ATOM 874 O ILE A 55 8.205 8.999 -20.129 1.00 0.00 O ATOM 875 CB ILE A 55 9.543 7.059 -17.760 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.824 7.333 -16.281 1.00 0.00 C ATOM 877 CG2 ILE A 55 10.304 5.828 -18.230 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.599 7.213 -15.401 1.00 0.00 C ATOM 0 H ILE A 55 8.780 9.559 -17.405 1.00 0.00 H new ATOM 0 HA ILE A 55 10.993 8.250 -18.824 1.00 0.00 H new ATOM 0 HB ILE A 55 8.476 6.870 -17.879 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.584 6.636 -15.929 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.239 8.336 -16.178 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.024 4.971 -17.617 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.059 5.624 -19.272 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.375 6.005 -18.138 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.872 7.420 -14.366 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.845 7.929 -15.727 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.196 6.203 -15.474 1.00 0.00 H new ATOM 890 N SER A 56 9.553 7.332 -20.812 1.00 0.00 N ATOM 891 CA SER A 56 8.897 7.186 -22.107 1.00 0.00 C ATOM 892 C SER A 56 9.317 5.885 -22.784 1.00 0.00 C ATOM 893 O SER A 56 8.570 4.906 -22.790 1.00 0.00 O ATOM 894 CB SER A 56 9.232 8.375 -23.009 1.00 0.00 C ATOM 895 OG SER A 56 8.225 9.369 -22.938 1.00 0.00 O ATOM 0 H SER A 56 10.331 6.690 -20.658 1.00 0.00 H new ATOM 0 HA SER A 56 7.820 7.158 -21.941 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.190 8.802 -22.712 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.340 8.035 -24.039 1.00 0.00 H new ATOM 0 HG SER A 56 7.960 9.501 -22.004 1.00 0.00 H new ATOM 901 N ASP A 57 10.517 5.882 -23.353 1.00 0.00 N ATOM 902 CA ASP A 57 11.039 4.702 -24.033 1.00 0.00 C ATOM 903 C ASP A 57 11.836 3.828 -23.070 1.00 0.00 C ATOM 904 O ASP A 57 12.372 2.790 -23.458 1.00 0.00 O ATOM 905 CB ASP A 57 11.918 5.114 -25.214 1.00 0.00 C ATOM 906 CG ASP A 57 11.142 5.193 -26.514 1.00 0.00 C ATOM 907 OD1 ASP A 57 10.079 5.849 -26.532 1.00 0.00 O ATOM 908 OD2 ASP A 57 11.598 4.600 -27.514 1.00 0.00 O ATOM 0 H ASP A 57 11.147 6.684 -23.357 1.00 0.00 H new ATOM 0 HA ASP A 57 10.193 4.124 -24.405 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.371 6.083 -25.005 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.733 4.398 -25.324 1.00 0.00 H new ATOM 913 N GLN A 58 11.911 4.257 -21.814 1.00 0.00 N ATOM 914 CA GLN A 58 12.645 3.514 -20.796 1.00 0.00 C ATOM 915 C GLN A 58 11.712 2.598 -20.012 1.00 0.00 C ATOM 916 O GLN A 58 12.090 1.490 -19.629 1.00 0.00 O ATOM 917 CB GLN A 58 13.353 4.477 -19.843 1.00 0.00 C ATOM 918 CG GLN A 58 14.096 5.599 -20.551 1.00 0.00 C ATOM 919 CD GLN A 58 15.334 5.111 -21.277 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.460 5.360 -20.845 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.133 4.410 -22.387 1.00 0.00 N ATOM 0 H GLN A 58 11.473 5.114 -21.477 1.00 0.00 H new ATOM 0 HA GLN A 58 13.391 2.898 -21.299 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.617 4.911 -19.166 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.058 3.915 -19.230 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.427 6.079 -21.265 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.382 6.357 -19.822 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.183 4.227 -22.709 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.929 4.055 -22.917 1.00 0.00 H new ATOM 930 N ASP A 59 10.491 3.066 -19.776 1.00 0.00 N ATOM 931 CA ASP A 59 9.503 2.289 -19.037 1.00 0.00 C ATOM 932 C ASP A 59 9.295 0.922 -19.682 1.00 0.00 C ATOM 933 O ASP A 59 9.412 -0.110 -19.022 1.00 0.00 O ATOM 934 CB ASP A 59 8.174 3.044 -18.972 1.00 0.00 C ATOM 935 CG ASP A 59 7.863 3.780 -20.260 1.00 0.00 C ATOM 936 OD1 ASP A 59 7.480 3.116 -21.246 1.00 0.00 O ATOM 937 OD2 ASP A 59 8.002 5.021 -20.282 1.00 0.00 O ATOM 0 H ASP A 59 10.162 3.980 -20.086 1.00 0.00 H new ATOM 0 HA ASP A 59 9.877 2.140 -18.024 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.370 2.341 -18.756 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.204 3.757 -18.148 1.00 0.00 H new ATOM 942 N ALA A 60 8.985 0.924 -20.974 1.00 0.00 N ATOM 943 CA ALA A 60 8.762 -0.316 -21.707 1.00 0.00 C ATOM 944 C ALA A 60 9.938 -1.272 -21.542 1.00 0.00 C ATOM 945 O ALA A 60 9.784 -2.488 -21.657 1.00 0.00 O ATOM 946 CB ALA A 60 8.522 -0.021 -23.181 1.00 0.00 C ATOM 0 H ALA A 60 8.883 1.770 -21.535 1.00 0.00 H new ATOM 0 HA ALA A 60 7.876 -0.798 -21.294 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.357 -0.956 -23.717 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.645 0.617 -23.286 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.392 0.487 -23.597 1.00 0.00 H new ATOM 952 N LEU A 61 11.113 -0.714 -21.271 1.00 0.00 N ATOM 953 CA LEU A 61 12.317 -1.518 -21.090 1.00 0.00 C ATOM 954 C LEU A 61 12.735 -1.550 -19.623 1.00 0.00 C ATOM 955 O LEU A 61 13.923 -1.594 -19.305 1.00 0.00 O ATOM 956 CB LEU A 61 13.458 -0.962 -21.944 1.00 0.00 C ATOM 957 CG LEU A 61 13.062 -0.398 -23.309 1.00 0.00 C ATOM 958 CD1 LEU A 61 14.234 0.334 -23.945 1.00 0.00 C ATOM 959 CD2 LEU A 61 12.565 -1.509 -24.222 1.00 0.00 C ATOM 0 H LEU A 61 11.258 0.291 -21.172 1.00 0.00 H new ATOM 0 HA LEU A 61 12.095 -2.537 -21.408 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.957 -0.175 -21.379 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.189 -1.756 -22.099 1.00 0.00 H new ATOM 0 HG LEU A 61 12.251 0.315 -23.164 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.933 0.728 -24.916 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.543 1.156 -23.299 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.067 -0.357 -24.076 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.288 -1.089 -25.189 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.355 -2.247 -24.360 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.696 -1.988 -23.772 1.00 0.00 H new ATOM 971 N LYS A 62 11.749 -1.530 -18.733 1.00 0.00 N ATOM 972 CA LYS A 62 12.011 -1.562 -17.299 1.00 0.00 C ATOM 973 C LYS A 62 10.893 -2.286 -16.556 1.00 0.00 C ATOM 974 O LYS A 62 11.146 -3.212 -15.785 1.00 0.00 O ATOM 975 CB LYS A 62 12.160 -0.138 -16.756 1.00 0.00 C ATOM 976 CG LYS A 62 13.547 0.165 -16.216 1.00 0.00 C ATOM 977 CD LYS A 62 13.717 1.644 -15.914 1.00 0.00 C ATOM 978 CE LYS A 62 14.086 2.429 -17.163 1.00 0.00 C ATOM 979 NZ LYS A 62 15.430 3.060 -17.045 1.00 0.00 N ATOM 0 H LYS A 62 10.760 -1.492 -18.980 1.00 0.00 H new ATOM 0 HA LYS A 62 12.941 -2.106 -17.137 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.926 0.571 -17.550 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.428 0.018 -15.963 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.720 -0.415 -15.309 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.297 -0.148 -16.942 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.792 2.039 -15.495 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.491 1.775 -15.158 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.071 1.765 -18.027 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.337 3.201 -17.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.732 3.410 -17.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.383 3.854 -16.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.115 2.357 -16.701 1.00 0.00 H new ATOM 993 N ILE A 63 9.658 -1.859 -16.794 1.00 0.00 N ATOM 994 CA ILE A 63 8.501 -2.469 -16.150 1.00 0.00 C ATOM 995 C ILE A 63 8.239 -3.867 -16.700 1.00 0.00 C ATOM 996 O ILE A 63 7.481 -4.642 -16.119 1.00 0.00 O ATOM 997 CB ILE A 63 7.236 -1.611 -16.334 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.429 -0.235 -15.695 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.027 -2.315 -15.736 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.058 0.780 -16.624 1.00 0.00 C ATOM 0 H ILE A 63 9.432 -1.093 -17.428 1.00 0.00 H new ATOM 0 HA ILE A 63 8.731 -2.537 -15.087 1.00 0.00 H new ATOM 0 HB ILE A 63 7.060 -1.473 -17.401 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.462 0.140 -15.361 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.054 -0.340 -14.808 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.140 -1.696 -15.874 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.881 -3.274 -16.234 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.192 -2.480 -14.671 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.165 1.732 -16.104 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.040 0.426 -16.938 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.423 0.914 -17.500 1.00 0.00 H new ATOM 1012 N ASN A 64 8.874 -4.183 -17.825 1.00 0.00 N ATOM 1013 CA ASN A 64 8.710 -5.488 -18.454 1.00 0.00 C ATOM 1014 C ASN A 64 8.795 -6.606 -17.418 1.00 0.00 C ATOM 1015 O ASN A 64 8.105 -7.620 -17.525 1.00 0.00 O ATOM 1016 CB ASN A 64 9.776 -5.695 -19.532 1.00 0.00 C ATOM 1017 CG ASN A 64 11.143 -5.990 -18.945 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.782 -6.981 -19.299 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.597 -5.129 -18.041 1.00 0.00 N ATOM 0 H ASN A 64 9.506 -3.553 -18.319 1.00 0.00 H new ATOM 0 HA ASN A 64 7.724 -5.519 -18.917 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.477 -6.518 -20.181 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.836 -4.803 -20.155 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.510 -5.276 -17.610 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.033 -4.321 -17.778 1.00 0.00 H new ATOM 1026 N THR A 65 9.645 -6.412 -16.415 1.00 0.00 N ATOM 1027 CA THR A 65 9.821 -7.402 -15.360 1.00 0.00 C ATOM 1028 C THR A 65 9.367 -6.856 -14.011 1.00 0.00 C ATOM 1029 O THR A 65 9.709 -5.733 -13.638 1.00 0.00 O ATOM 1030 CB THR A 65 11.290 -7.852 -15.251 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.022 -6.939 -14.425 1.00 0.00 O ATOM 1032 CG2 THR A 65 11.936 -7.929 -16.626 1.00 0.00 C ATOM 0 H THR A 65 10.223 -5.578 -16.311 1.00 0.00 H new ATOM 0 HA THR A 65 9.205 -8.260 -15.627 1.00 0.00 H new ATOM 0 HB THR A 65 11.310 -8.845 -14.801 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.867 -7.352 -14.149 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.973 -8.249 -16.523 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.394 -8.646 -17.243 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.904 -6.947 -17.098 1.00 0.00 H new ATOM 1040 N VAL A 66 8.596 -7.657 -13.283 1.00 0.00 N ATOM 1041 CA VAL A 66 8.097 -7.253 -11.973 1.00 0.00 C ATOM 1042 C VAL A 66 9.219 -6.694 -11.106 1.00 0.00 C ATOM 1043 O VAL A 66 9.023 -5.729 -10.368 1.00 0.00 O ATOM 1044 CB VAL A 66 7.434 -8.433 -11.238 1.00 0.00 C ATOM 1045 CG1 VAL A 66 6.993 -8.013 -9.844 1.00 0.00 C ATOM 1046 CG2 VAL A 66 6.256 -8.967 -12.040 1.00 0.00 C ATOM 0 H VAL A 66 8.303 -8.589 -13.577 1.00 0.00 H new ATOM 0 HA VAL A 66 7.352 -6.475 -12.143 1.00 0.00 H new ATOM 0 HB VAL A 66 8.167 -9.233 -11.136 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.527 -8.859 -9.339 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.860 -7.682 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.276 -7.196 -9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.800 -9.800 -11.506 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.519 -8.175 -12.175 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.604 -9.308 -13.015 1.00 0.00 H new ATOM 1056 N GLN A 67 10.394 -7.307 -11.201 1.00 0.00 N ATOM 1057 CA GLN A 67 11.548 -6.869 -10.424 1.00 0.00 C ATOM 1058 C GLN A 67 12.018 -5.491 -10.877 1.00 0.00 C ATOM 1059 O GLN A 67 12.055 -4.546 -10.088 1.00 0.00 O ATOM 1060 CB GLN A 67 12.690 -7.879 -10.554 1.00 0.00 C ATOM 1061 CG GLN A 67 13.979 -7.429 -9.887 1.00 0.00 C ATOM 1062 CD GLN A 67 13.810 -7.177 -8.401 1.00 0.00 C ATOM 1063 OE1 GLN A 67 13.900 -8.098 -7.590 1.00 0.00 O ATOM 1064 NE2 GLN A 67 13.564 -5.924 -8.037 1.00 0.00 N ATOM 0 H GLN A 67 10.572 -8.108 -11.807 1.00 0.00 H new ATOM 0 HA GLN A 67 11.247 -6.804 -9.378 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.377 -8.827 -10.117 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.883 -8.063 -11.611 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.746 -8.188 -10.038 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.334 -6.518 -10.368 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.498 -5.191 -8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.441 -5.694 -7.051 1.00 0.00 H new ATOM 1073 N ASP A 68 12.377 -5.383 -12.152 1.00 0.00 N ATOM 1074 CA ASP A 68 12.845 -4.120 -12.710 1.00 0.00 C ATOM 1075 C ASP A 68 11.774 -3.041 -12.586 1.00 0.00 C ATOM 1076 O ASP A 68 12.082 -1.852 -12.508 1.00 0.00 O ATOM 1077 CB ASP A 68 13.236 -4.300 -14.178 1.00 0.00 C ATOM 1078 CG ASP A 68 14.448 -5.196 -14.348 1.00 0.00 C ATOM 1079 OD1 ASP A 68 14.822 -5.878 -13.371 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.022 -5.214 -15.457 1.00 0.00 O ATOM 0 H ASP A 68 12.353 -6.155 -12.818 1.00 0.00 H new ATOM 0 HA ASP A 68 13.721 -3.804 -12.144 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.394 -4.724 -14.726 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.444 -3.325 -14.618 1.00 0.00 H new ATOM 1085 N ALA A 69 10.514 -3.464 -12.569 1.00 0.00 N ATOM 1086 CA ALA A 69 9.397 -2.535 -12.454 1.00 0.00 C ATOM 1087 C ALA A 69 9.464 -1.756 -11.144 1.00 0.00 C ATOM 1088 O ALA A 69 9.614 -0.534 -11.144 1.00 0.00 O ATOM 1089 CB ALA A 69 8.076 -3.281 -12.559 1.00 0.00 C ATOM 0 H ALA A 69 10.242 -4.445 -12.633 1.00 0.00 H new ATOM 0 HA ALA A 69 9.464 -1.822 -13.275 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.251 -2.574 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.019 -3.787 -13.523 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.009 -4.017 -11.758 1.00 0.00 H new ATOM 1095 N ILE A 70 9.351 -2.472 -10.030 1.00 0.00 N ATOM 1096 CA ILE A 70 9.399 -1.847 -8.714 1.00 0.00 C ATOM 1097 C ILE A 70 10.670 -1.021 -8.543 1.00 0.00 C ATOM 1098 O ILE A 70 10.656 0.034 -7.909 1.00 0.00 O ATOM 1099 CB ILE A 70 9.328 -2.897 -7.589 1.00 0.00 C ATOM 1100 CG1 ILE A 70 9.578 -2.239 -6.231 1.00 0.00 C ATOM 1101 CG2 ILE A 70 10.336 -4.009 -7.839 1.00 0.00 C ATOM 1102 CD1 ILE A 70 8.623 -1.107 -5.922 1.00 0.00 C ATOM 0 H ILE A 70 9.226 -3.484 -10.013 1.00 0.00 H new ATOM 0 HA ILE A 70 8.531 -1.192 -8.644 1.00 0.00 H new ATOM 0 HB ILE A 70 8.329 -3.333 -7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.497 -2.995 -5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.599 -1.860 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.274 -4.743 -7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.116 -4.493 -8.791 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.341 -3.589 -7.870 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.860 -0.688 -4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.720 -0.332 -6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.601 -1.485 -5.917 1.00 0.00 H new ATOM 1114 N ASP A 71 11.766 -1.508 -9.115 1.00 0.00 N ATOM 1115 CA ASP A 71 13.045 -0.813 -9.029 1.00 0.00 C ATOM 1116 C ASP A 71 13.067 0.402 -9.951 1.00 0.00 C ATOM 1117 O ASP A 71 13.869 1.318 -9.769 1.00 0.00 O ATOM 1118 CB ASP A 71 14.190 -1.762 -9.387 1.00 0.00 C ATOM 1119 CG ASP A 71 15.261 -1.809 -8.315 1.00 0.00 C ATOM 1120 OD1 ASP A 71 14.951 -2.245 -7.187 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.408 -1.408 -8.604 1.00 0.00 O ATOM 0 H ASP A 71 11.794 -2.380 -9.643 1.00 0.00 H new ATOM 0 HA ASP A 71 13.176 -0.469 -8.003 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.792 -2.765 -9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.637 -1.447 -10.330 1.00 0.00 H new ATOM 1126 N TYR A 72 12.182 0.402 -10.942 1.00 0.00 N ATOM 1127 CA TYR A 72 12.102 1.502 -11.896 1.00 0.00 C ATOM 1128 C TYR A 72 11.362 2.692 -11.293 1.00 0.00 C ATOM 1129 O TYR A 72 11.651 3.845 -11.616 1.00 0.00 O ATOM 1130 CB TYR A 72 11.401 1.045 -13.176 1.00 0.00 C ATOM 1131 CG TYR A 72 10.277 1.959 -13.609 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.541 3.161 -14.253 1.00 0.00 C ATOM 1133 CD2 TYR A 72 8.950 1.619 -13.375 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.517 3.999 -14.650 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.919 2.451 -13.770 1.00 0.00 C ATOM 1136 CZ TYR A 72 8.208 3.640 -14.407 1.00 0.00 C ATOM 1137 OH TYR A 72 7.186 4.471 -14.802 1.00 0.00 O ATOM 0 H TYR A 72 11.510 -0.348 -11.106 1.00 0.00 H new ATOM 0 HA TYR A 72 13.118 1.814 -12.139 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.135 0.980 -13.979 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.004 0.041 -13.025 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.565 3.445 -14.447 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.720 0.689 -12.876 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.741 4.931 -15.148 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.893 2.172 -13.581 1.00 0.00 H new ATOM 0 HH TYR A 72 6.326 4.071 -14.557 1.00 0.00 H new ATOM 1147 N ILE A 73 10.406 2.404 -10.417 1.00 0.00 N ATOM 1148 CA ILE A 73 9.625 3.449 -9.767 1.00 0.00 C ATOM 1149 C ILE A 73 10.338 3.979 -8.528 1.00 0.00 C ATOM 1150 O ILE A 73 10.119 5.116 -8.113 1.00 0.00 O ATOM 1151 CB ILE A 73 8.229 2.940 -9.364 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.339 1.944 -8.207 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.533 2.300 -10.556 1.00 0.00 C ATOM 1154 CD1 ILE A 73 7.029 1.698 -7.494 1.00 0.00 C ATOM 0 H ILE A 73 10.153 1.455 -10.141 1.00 0.00 H new ATOM 0 HA ILE A 73 9.513 4.256 -10.491 1.00 0.00 H new ATOM 0 HB ILE A 73 7.632 3.789 -9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.719 0.996 -8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.070 2.314 -7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.547 1.945 -10.254 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.426 3.036 -11.353 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.127 1.460 -10.916 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.183 0.982 -6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.658 2.636 -7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.300 1.298 -8.199 1.00 0.00 H new ATOM 1166 N GLU A 74 11.194 3.146 -7.943 1.00 0.00 N ATOM 1167 CA GLU A 74 11.941 3.532 -6.752 1.00 0.00 C ATOM 1168 C GLU A 74 13.235 4.249 -7.129 1.00 0.00 C ATOM 1169 O GLU A 74 13.762 5.051 -6.357 1.00 0.00 O ATOM 1170 CB GLU A 74 12.256 2.301 -5.900 1.00 0.00 C ATOM 1171 CG GLU A 74 11.019 1.587 -5.381 1.00 0.00 C ATOM 1172 CD GLU A 74 10.360 2.323 -4.230 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.065 3.079 -3.529 1.00 0.00 O ATOM 1174 OE2 GLU A 74 9.141 2.142 -4.030 1.00 0.00 O ATOM 0 H GLU A 74 11.387 2.201 -8.274 1.00 0.00 H new ATOM 0 HA GLU A 74 11.323 4.217 -6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.847 1.602 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.873 2.604 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.301 1.474 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.293 0.583 -5.056 1.00 0.00 H new ATOM 1181 N LYS A 75 13.742 3.953 -8.320 1.00 0.00 N ATOM 1182 CA LYS A 75 14.974 4.567 -8.802 1.00 0.00 C ATOM 1183 C LYS A 75 14.696 5.937 -9.412 1.00 0.00 C ATOM 1184 O LYS A 75 15.499 6.859 -9.282 1.00 0.00 O ATOM 1185 CB LYS A 75 15.648 3.664 -9.837 1.00 0.00 C ATOM 1186 CG LYS A 75 14.917 3.614 -11.168 1.00 0.00 C ATOM 1187 CD LYS A 75 15.446 4.660 -12.134 1.00 0.00 C ATOM 1188 CE LYS A 75 15.972 4.025 -13.412 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.437 3.766 -13.341 1.00 0.00 N ATOM 0 H LYS A 75 13.319 3.291 -8.970 1.00 0.00 H new ATOM 0 HA LYS A 75 15.643 4.696 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.667 4.014 -10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.720 2.654 -9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.027 2.623 -11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.851 3.774 -11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.652 5.366 -12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.243 5.229 -11.655 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.446 3.088 -13.595 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.760 4.680 -14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.757 3.333 -14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.941 4.663 -13.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.638 3.121 -12.551 1.00 0.00 H new ATOM 1203 N ASN A 76 13.552 6.063 -10.077 1.00 0.00 N ATOM 1204 CA ASN A 76 13.168 7.321 -10.706 1.00 0.00 C ATOM 1205 C ASN A 76 12.455 8.232 -9.710 1.00 0.00 C ATOM 1206 O ASN A 76 12.970 9.286 -9.339 1.00 0.00 O ATOM 1207 CB ASN A 76 12.263 7.058 -11.911 1.00 0.00 C ATOM 1208 CG ASN A 76 12.757 7.748 -13.167 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.961 8.962 -13.183 1.00 0.00 O ATOM 1210 ND2 ASN A 76 12.953 6.975 -14.229 1.00 0.00 N ATOM 0 H ASN A 76 12.875 5.309 -10.194 1.00 0.00 H new ATOM 0 HA ASN A 76 14.076 7.821 -11.044 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.203 5.984 -12.089 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.253 7.400 -11.685 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.286 7.383 -15.103 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.771 5.973 -14.171 1.00 0.00 H new ATOM 1217 N ASN A 77 11.267 7.817 -9.282 1.00 0.00 N ATOM 1218 CA ASN A 77 10.484 8.595 -8.329 1.00 0.00 C ATOM 1219 C ASN A 77 11.226 8.739 -7.004 1.00 0.00 C ATOM 1220 O ASN A 77 11.335 9.837 -6.457 1.00 0.00 O ATOM 1221 CB ASN A 77 9.124 7.934 -8.096 1.00 0.00 C ATOM 1222 CG ASN A 77 7.968 8.862 -8.416 1.00 0.00 C ATOM 1223 OD1 ASN A 77 7.317 9.394 -7.516 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.706 9.059 -9.703 1.00 0.00 N ATOM 0 H ASN A 77 10.826 6.947 -9.580 1.00 0.00 H new ATOM 0 HA ASN A 77 10.331 9.589 -8.748 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.048 7.038 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.052 7.613 -7.057 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.939 9.672 -9.979 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.272 8.597 -10.415 1.00 0.00 H new