USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 725 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 5 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.432) USER MOD Single : A 7 ASN : amide:sc= -5.36! C(o=-5.4!,f=-6.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 79:sc= 1.12 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.0793 X(o=0.079,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.16) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 153:sc= -0.162 (180deg=-0.818) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 45 MET CE :methyl -143:sc= -0.32 (180deg=-2.22) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.00094) USER MOD Single : A 48 TYR OH : rot 150:sc= -1.07 USER MOD Single : A 50 ASN : amide:sc= -0.0333 X(o=-0.033,f=-0.32) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 38:sc= -1.1 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.137 F(o=-1,f=-0.14) USER MOD Single : A 76 THR OG1 : rot -87:sc= 1.12 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.458 -12.315 -9.803 1.00 0.00 N ATOM 31 CA LEU A 3 -10.091 -12.126 -8.404 1.00 0.00 C ATOM 32 C LEU A 3 -10.901 -13.049 -7.499 1.00 0.00 C ATOM 33 O LEU A 3 -12.106 -12.868 -7.332 1.00 0.00 O ATOM 34 CB LEU A 3 -10.306 -10.669 -7.990 1.00 0.00 C ATOM 35 CG LEU A 3 -9.122 -9.738 -8.256 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.604 -8.317 -8.499 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.141 -9.779 -7.095 1.00 0.00 C ATOM 0 HA LEU A 3 -9.035 -12.375 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.178 -10.282 -8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.539 -10.640 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.608 -10.083 -9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.748 -7.669 -8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.267 -8.301 -9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.143 -7.961 -7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.305 -9.111 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.644 -9.460 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.770 -10.796 -6.968 1.00 0.00 H new ATOM 49 N LEU A 4 -10.229 -14.038 -6.919 1.00 0.00 N ATOM 50 CA LEU A 4 -10.887 -14.989 -6.030 1.00 0.00 C ATOM 51 C LEU A 4 -11.481 -14.280 -4.817 1.00 0.00 C ATOM 52 O LEU A 4 -11.110 -13.149 -4.504 1.00 0.00 O ATOM 53 CB LEU A 4 -9.897 -16.062 -5.574 1.00 0.00 C ATOM 54 CG LEU A 4 -10.491 -17.461 -5.404 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.627 -18.151 -6.753 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.632 -18.293 -4.463 1.00 0.00 C ATOM 0 H LEU A 4 -9.231 -14.202 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.697 -15.464 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.083 -16.115 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.460 -15.752 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.485 -17.363 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.051 -19.145 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.282 -17.565 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.645 -18.238 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.069 -19.285 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.626 -18.383 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.585 -17.807 -3.488 1.00 0.00 H new ATOM 68 N LYS A 5 -12.405 -14.952 -4.138 1.00 0.00 N ATOM 69 CA LYS A 5 -13.050 -14.386 -2.960 1.00 0.00 C ATOM 70 C LYS A 5 -12.032 -14.131 -1.853 1.00 0.00 C ATOM 71 O LYS A 5 -11.969 -13.037 -1.294 1.00 0.00 O ATOM 72 CB LYS A 5 -14.148 -15.324 -2.454 1.00 0.00 C ATOM 73 CG LYS A 5 -15.294 -14.601 -1.764 1.00 0.00 C ATOM 74 CD LYS A 5 -16.455 -14.362 -2.717 1.00 0.00 C ATOM 75 CE LYS A 5 -16.318 -13.029 -3.436 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.725 -13.188 -4.792 1.00 0.00 N ATOM 0 H LYS A 5 -12.724 -15.889 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.498 -13.434 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.543 -15.895 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.711 -16.041 -1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.636 -15.188 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.941 -13.647 -1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.499 -15.169 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.393 -14.383 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.298 -12.560 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.695 -12.359 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.308 -12.285 -5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.986 -13.919 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.466 -13.471 -5.464 1.00 0.00 H new ATOM 90 N ALA A 6 -11.238 -15.150 -1.541 1.00 0.00 N ATOM 91 CA ALA A 6 -10.222 -15.036 -0.500 1.00 0.00 C ATOM 92 C ALA A 6 -9.067 -14.152 -0.956 1.00 0.00 C ATOM 93 O ALA A 6 -8.488 -13.411 -0.162 1.00 0.00 O ATOM 94 CB ALA A 6 -9.713 -16.415 -0.109 1.00 0.00 C ATOM 0 H ALA A 6 -11.278 -16.063 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.679 -14.569 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.955 -16.316 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.542 -17.016 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.277 -16.903 -0.981 1.00 0.00 H new ATOM 100 N ASN A 7 -8.735 -14.236 -2.241 1.00 0.00 N ATOM 101 CA ASN A 7 -7.648 -13.442 -2.803 1.00 0.00 C ATOM 102 C ASN A 7 -7.989 -11.956 -2.775 1.00 0.00 C ATOM 103 O ASN A 7 -7.180 -11.132 -2.350 1.00 0.00 O ATOM 104 CB ASN A 7 -7.356 -13.885 -4.238 1.00 0.00 C ATOM 105 CG ASN A 7 -6.420 -15.076 -4.296 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.377 -15.029 -4.950 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.788 -16.153 -3.612 1.00 0.00 N ATOM 0 H ASN A 7 -9.203 -14.845 -2.912 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.759 -13.603 -2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.293 -14.138 -4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.917 -13.054 -4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.198 -16.985 -3.615 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.661 -16.148 -3.084 1.00 0.00 H new ATOM 114 N LYS A 8 -9.191 -11.622 -3.232 1.00 0.00 N ATOM 115 CA LYS A 8 -9.639 -10.234 -3.261 1.00 0.00 C ATOM 116 C LYS A 8 -9.904 -9.719 -1.850 1.00 0.00 C ATOM 117 O LYS A 8 -9.729 -8.533 -1.569 1.00 0.00 O ATOM 118 CB LYS A 8 -10.906 -10.103 -4.109 1.00 0.00 C ATOM 119 CG LYS A 8 -11.147 -8.695 -4.628 1.00 0.00 C ATOM 120 CD LYS A 8 -12.630 -8.413 -4.801 1.00 0.00 C ATOM 121 CE LYS A 8 -12.881 -7.425 -5.930 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.162 -7.703 -6.636 1.00 0.00 N ATOM 0 H LYS A 8 -9.872 -12.293 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.847 -9.632 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.839 -10.787 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.765 -10.414 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.716 -7.972 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.637 -8.565 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.157 -9.345 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.037 -8.016 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.900 -6.412 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.057 -7.470 -6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.296 -7.008 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.134 -8.660 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.951 -7.635 -5.962 1.00 0.00 H new ATOM 136 N ASP A 9 -10.326 -10.617 -0.966 1.00 0.00 N ATOM 137 CA ASP A 9 -10.614 -10.252 0.416 1.00 0.00 C ATOM 138 C ASP A 9 -9.337 -9.866 1.155 1.00 0.00 C ATOM 139 O ASP A 9 -9.358 -9.018 2.049 1.00 0.00 O ATOM 140 CB ASP A 9 -11.304 -11.411 1.138 1.00 0.00 C ATOM 141 CG ASP A 9 -11.796 -11.023 2.518 1.00 0.00 C ATOM 142 OD1 ASP A 9 -10.953 -10.674 3.372 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.023 -11.066 2.745 1.00 0.00 O ATOM 0 H ASP A 9 -10.476 -11.602 -1.182 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.281 -9.390 0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.146 -11.758 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.609 -12.246 1.225 1.00 0.00 H new ATOM 148 N LEU A 10 -8.227 -10.492 0.779 1.00 0.00 N ATOM 149 CA LEU A 10 -6.942 -10.213 1.404 1.00 0.00 C ATOM 150 C LEU A 10 -6.454 -8.813 1.046 1.00 0.00 C ATOM 151 O LEU A 10 -6.000 -8.063 1.910 1.00 0.00 O ATOM 152 CB LEU A 10 -5.912 -11.260 0.973 1.00 0.00 C ATOM 153 CG LEU A 10 -5.469 -12.222 2.074 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.402 -13.174 1.555 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.955 -11.450 3.280 1.00 0.00 C ATOM 0 H LEU A 10 -8.193 -11.197 0.043 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.068 -10.261 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.329 -11.841 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.033 -10.745 0.586 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.332 -12.811 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.099 -13.851 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.803 -13.751 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.538 -12.602 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.644 -12.151 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.105 -10.836 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.748 -10.810 3.667 1.00 0.00 H new ATOM 167 N ILE A 11 -6.552 -8.468 -0.234 1.00 0.00 N ATOM 168 CA ILE A 11 -6.121 -7.157 -0.706 1.00 0.00 C ATOM 169 C ILE A 11 -7.065 -6.063 -0.221 1.00 0.00 C ATOM 170 O ILE A 11 -6.638 -4.945 0.070 1.00 0.00 O ATOM 171 CB ILE A 11 -6.045 -7.110 -2.245 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.240 -8.298 -2.774 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.428 -5.797 -2.704 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.120 -8.323 -4.282 1.00 0.00 C ATOM 0 H ILE A 11 -6.926 -9.077 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.126 -6.984 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.056 -7.174 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.241 -8.272 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.710 -9.223 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.381 -5.778 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.039 -4.965 -2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.422 -5.706 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.537 -9.192 -4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.114 -8.380 -4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.622 -7.415 -4.623 1.00 0.00 H new ATOM 186 N SER A 12 -8.351 -6.391 -0.134 1.00 0.00 N ATOM 187 CA SER A 12 -9.355 -5.434 0.317 1.00 0.00 C ATOM 188 C SER A 12 -9.029 -4.921 1.716 1.00 0.00 C ATOM 189 O SER A 12 -9.111 -3.723 1.982 1.00 0.00 O ATOM 190 CB SER A 12 -10.743 -6.077 0.306 1.00 0.00 C ATOM 191 OG SER A 12 -11.208 -6.269 -1.018 1.00 0.00 O ATOM 0 H SER A 12 -8.722 -7.312 -0.370 1.00 0.00 H new ATOM 0 HA SER A 12 -9.349 -4.588 -0.370 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.707 -7.035 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.444 -5.445 0.852 1.00 0.00 H new ATOM 0 HG SER A 12 -10.778 -7.060 -1.404 1.00 0.00 H new ATOM 197 N ALA A 13 -8.656 -5.836 2.604 1.00 0.00 N ATOM 198 CA ALA A 13 -8.315 -5.474 3.974 1.00 0.00 C ATOM 199 C ALA A 13 -7.140 -4.503 4.001 1.00 0.00 C ATOM 200 O ALA A 13 -7.164 -3.501 4.717 1.00 0.00 O ATOM 201 CB ALA A 13 -7.993 -6.718 4.786 1.00 0.00 C ATOM 0 H ALA A 13 -8.582 -6.833 2.400 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.177 -4.979 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.740 -6.431 5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.860 -7.379 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.147 -7.238 4.335 1.00 0.00 H new ATOM 207 N GLY A 14 -6.114 -4.805 3.212 1.00 0.00 N ATOM 208 CA GLY A 14 -4.944 -3.949 3.155 1.00 0.00 C ATOM 209 C GLY A 14 -5.240 -2.609 2.510 1.00 0.00 C ATOM 210 O GLY A 14 -4.669 -1.588 2.894 1.00 0.00 O ATOM 0 H GLY A 14 -6.072 -5.628 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.565 -3.788 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.156 -4.452 2.595 1.00 0.00 H new ATOM 214 N LEU A 15 -6.135 -2.614 1.527 1.00 0.00 N ATOM 215 CA LEU A 15 -6.507 -1.389 0.826 1.00 0.00 C ATOM 216 C LEU A 15 -7.060 -0.351 1.798 1.00 0.00 C ATOM 217 O LEU A 15 -6.662 0.813 1.771 1.00 0.00 O ATOM 218 CB LEU A 15 -7.540 -1.695 -0.263 1.00 0.00 C ATOM 219 CG LEU A 15 -7.149 -1.242 -1.670 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.222 -1.634 -2.674 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.913 0.260 -1.699 1.00 0.00 C ATOM 0 H LEU A 15 -6.616 -3.451 1.198 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.611 -0.978 0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.720 -2.770 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.482 -1.219 0.007 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.221 -1.741 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.927 -1.304 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.344 -2.717 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.166 -1.163 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.636 0.565 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.825 0.777 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.109 0.515 -1.009 1.00 0.00 H new ATOM 233 N LYS A 16 -7.980 -0.783 2.654 1.00 0.00 N ATOM 234 CA LYS A 16 -8.588 0.109 3.635 1.00 0.00 C ATOM 235 C LYS A 16 -7.578 0.509 4.706 1.00 0.00 C ATOM 236 O LYS A 16 -7.628 1.618 5.238 1.00 0.00 O ATOM 237 CB LYS A 16 -9.799 -0.562 4.285 1.00 0.00 C ATOM 238 CG LYS A 16 -9.474 -1.888 4.952 1.00 0.00 C ATOM 239 CD LYS A 16 -10.489 -2.233 6.030 1.00 0.00 C ATOM 240 CE LYS A 16 -9.986 -1.851 7.412 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.484 -2.783 8.462 1.00 0.00 N ATOM 0 H LYS A 16 -8.321 -1.744 2.688 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.916 1.009 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.224 0.114 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.565 -0.724 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.455 -2.679 4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.477 -1.841 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.427 -1.716 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.702 -3.302 6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.896 -1.851 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.306 -0.836 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.118 -2.488 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.524 -2.765 8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.158 -3.748 8.253 1.00 0.00 H new ATOM 255 N GLU A 17 -6.662 -0.402 5.016 1.00 0.00 N ATOM 256 CA GLU A 17 -5.639 -0.144 6.023 1.00 0.00 C ATOM 257 C GLU A 17 -4.774 1.048 5.626 1.00 0.00 C ATOM 258 O GLU A 17 -4.345 1.828 6.477 1.00 0.00 O ATOM 259 CB GLU A 17 -4.762 -1.382 6.218 1.00 0.00 C ATOM 260 CG GLU A 17 -5.311 -2.360 7.245 1.00 0.00 C ATOM 261 CD GLU A 17 -4.869 -3.787 6.984 1.00 0.00 C ATOM 262 OE1 GLU A 17 -3.659 -4.068 7.114 1.00 0.00 O ATOM 263 OE2 GLU A 17 -5.734 -4.624 6.650 1.00 0.00 O ATOM 0 H GLU A 17 -6.607 -1.325 4.585 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.140 0.090 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.653 -1.894 5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.765 -1.066 6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.984 -2.058 8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.400 -2.314 7.240 1.00 0.00 H new ATOM 270 N PHE A 18 -4.522 1.183 4.328 1.00 0.00 N ATOM 271 CA PHE A 18 -3.710 2.281 3.818 1.00 0.00 C ATOM 272 C PHE A 18 -4.475 3.600 3.883 1.00 0.00 C ATOM 273 O PHE A 18 -3.938 4.621 4.313 1.00 0.00 O ATOM 274 CB PHE A 18 -3.278 1.999 2.378 1.00 0.00 C ATOM 275 CG PHE A 18 -1.879 2.452 2.071 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.788 1.695 2.468 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.655 3.635 1.385 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.500 2.109 2.187 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.369 4.054 1.101 1.00 0.00 C ATOM 280 CZ PHE A 18 0.710 3.291 1.503 1.00 0.00 C ATOM 0 H PHE A 18 -4.868 0.546 3.611 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.823 2.365 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.355 0.929 2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.969 2.494 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.946 0.771 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.495 4.236 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.341 1.509 2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.208 4.978 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.716 3.618 1.283 1.00 0.00 H new ATOM 290 N SER A 19 -5.732 3.569 3.452 1.00 0.00 N ATOM 291 CA SER A 19 -6.573 4.763 3.462 1.00 0.00 C ATOM 292 C SER A 19 -6.717 5.317 4.875 1.00 0.00 C ATOM 293 O SER A 19 -6.497 6.505 5.111 1.00 0.00 O ATOM 294 CB SER A 19 -7.952 4.444 2.884 1.00 0.00 C ATOM 295 OG SER A 19 -8.476 5.553 2.174 1.00 0.00 O ATOM 0 H SER A 19 -6.191 2.732 3.092 1.00 0.00 H new ATOM 0 HA SER A 19 -6.092 5.520 2.843 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.881 3.583 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.633 4.169 3.690 1.00 0.00 H new ATOM 0 HG SER A 19 -9.358 5.323 1.813 1.00 0.00 H new ATOM 301 N VAL A 20 -7.086 4.450 5.811 1.00 0.00 N ATOM 302 CA VAL A 20 -7.259 4.853 7.201 1.00 0.00 C ATOM 303 C VAL A 20 -5.942 5.341 7.795 1.00 0.00 C ATOM 304 O VAL A 20 -5.889 6.379 8.454 1.00 0.00 O ATOM 305 CB VAL A 20 -7.810 3.695 8.058 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.770 2.598 8.240 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.294 4.210 9.405 1.00 0.00 C ATOM 0 H VAL A 20 -7.271 3.463 5.632 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.981 5.670 7.211 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.659 3.261 7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.189 1.797 8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.484 2.202 7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.891 3.009 8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.679 3.379 9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.464 4.678 9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.086 4.943 9.251 1.00 0.00 H new ATOM 317 N LEU A 21 -4.883 4.580 7.554 1.00 0.00 N ATOM 318 CA LEU A 21 -3.559 4.925 8.059 1.00 0.00 C ATOM 319 C LEU A 21 -3.115 6.287 7.536 1.00 0.00 C ATOM 320 O LEU A 21 -2.490 7.067 8.256 1.00 0.00 O ATOM 321 CB LEU A 21 -2.541 3.856 7.658 1.00 0.00 C ATOM 322 CG LEU A 21 -1.175 3.974 8.336 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.285 3.649 9.816 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.165 3.059 7.660 1.00 0.00 C ATOM 0 H LEU A 21 -4.914 3.717 7.011 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.615 4.973 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.959 2.875 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.398 3.899 6.578 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.828 5.002 8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.304 3.738 10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.977 4.345 10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.654 2.631 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.801 3.155 8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.507 2.026 7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.065 3.339 6.611 1.00 0.00 H new ATOM 336 N LEU A 22 -3.444 6.569 6.279 1.00 0.00 N ATOM 337 CA LEU A 22 -3.080 7.838 5.659 1.00 0.00 C ATOM 338 C LEU A 22 -3.825 8.995 6.315 1.00 0.00 C ATOM 339 O LEU A 22 -3.233 10.026 6.635 1.00 0.00 O ATOM 340 CB LEU A 22 -3.383 7.803 4.160 1.00 0.00 C ATOM 341 CG LEU A 22 -2.473 6.892 3.337 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.181 6.432 2.072 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.175 7.607 2.992 1.00 0.00 C ATOM 0 H LEU A 22 -3.962 5.936 5.670 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.010 7.991 5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.415 7.482 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.309 8.817 3.766 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.234 6.013 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.518 5.784 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.083 5.882 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.450 7.300 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.539 6.944 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.396 8.503 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.659 7.887 3.910 1.00 0.00 H new ATOM 355 N ASN A 23 -5.127 8.818 6.510 1.00 0.00 N ATOM 356 CA ASN A 23 -5.956 9.847 7.128 1.00 0.00 C ATOM 357 C ASN A 23 -5.459 10.178 8.533 1.00 0.00 C ATOM 358 O ASN A 23 -5.654 11.289 9.025 1.00 0.00 O ATOM 359 CB ASN A 23 -7.414 9.391 7.185 1.00 0.00 C ATOM 360 CG ASN A 23 -8.386 10.529 6.931 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.064 10.564 5.905 1.00 0.00 O ATOM 362 ND2 ASN A 23 -8.457 11.465 7.869 1.00 0.00 N ATOM 0 H ASN A 23 -5.632 7.971 6.249 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.887 10.747 6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.576 8.607 6.446 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.617 8.954 8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.093 12.254 7.755 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.876 11.395 8.704 1.00 0.00 H new ATOM 369 N GLN A 24 -4.817 9.206 9.173 1.00 0.00 N ATOM 370 CA GLN A 24 -4.293 9.396 10.521 1.00 0.00 C ATOM 371 C GLN A 24 -3.240 10.500 10.548 1.00 0.00 C ATOM 372 O GLN A 24 -3.048 11.161 11.569 1.00 0.00 O ATOM 373 CB GLN A 24 -3.693 8.090 11.045 1.00 0.00 C ATOM 374 CG GLN A 24 -3.560 8.046 12.559 1.00 0.00 C ATOM 375 CD GLN A 24 -3.864 6.675 13.131 1.00 0.00 C ATOM 376 OE1 GLN A 24 -5.020 6.257 13.194 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.822 5.966 13.552 1.00 0.00 N ATOM 0 H GLN A 24 -4.647 8.280 8.781 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.120 9.694 11.166 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.316 7.257 10.719 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.709 7.947 10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.548 8.337 12.840 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.236 8.778 13.001 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.880 6.352 13.481 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.964 5.036 13.946 1.00 0.00 H new ATOM 386 N GLN A 25 -2.561 10.695 9.422 1.00 0.00 N ATOM 387 CA GLN A 25 -1.529 11.719 9.319 1.00 0.00 C ATOM 388 C GLN A 25 -2.095 13.100 9.638 1.00 0.00 C ATOM 389 O GLN A 25 -3.080 13.531 9.039 1.00 0.00 O ATOM 390 CB GLN A 25 -0.917 11.719 7.916 1.00 0.00 C ATOM 391 CG GLN A 25 0.111 10.621 7.702 1.00 0.00 C ATOM 392 CD GLN A 25 1.364 10.826 8.531 1.00 0.00 C ATOM 393 OE1 GLN A 25 2.002 11.876 8.464 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.722 9.819 9.320 1.00 0.00 N ATOM 0 H GLN A 25 -2.707 10.157 8.568 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.752 11.488 10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.714 11.608 7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.448 12.686 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.333 9.658 7.954 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.380 10.581 6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.163 8.966 9.344 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.556 9.899 9.902 1.00 0.00 H new ATOM 403 N VAL A 26 -1.467 13.786 10.587 1.00 0.00 N ATOM 404 CA VAL A 26 -1.908 15.117 10.986 1.00 0.00 C ATOM 405 C VAL A 26 -1.714 16.122 9.857 1.00 0.00 C ATOM 406 O VAL A 26 -2.477 17.079 9.727 1.00 0.00 O ATOM 407 CB VAL A 26 -1.150 15.611 12.234 1.00 0.00 C ATOM 408 CG1 VAL A 26 -1.732 16.926 12.728 1.00 0.00 C ATOM 409 CG2 VAL A 26 -1.183 14.558 13.332 1.00 0.00 C ATOM 0 H VAL A 26 -0.651 13.442 11.094 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.969 15.040 11.222 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.109 15.782 11.959 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.184 17.258 13.609 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.648 17.678 11.944 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.782 16.785 12.986 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.643 14.925 14.205 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.217 14.351 13.606 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.713 13.643 12.973 1.00 0.00 H new ATOM 419 N PHE A 27 -0.689 15.899 9.041 1.00 0.00 N ATOM 420 CA PHE A 27 -0.394 16.785 7.922 1.00 0.00 C ATOM 421 C PHE A 27 -0.088 18.197 8.413 1.00 0.00 C ATOM 422 O PHE A 27 -0.165 18.479 9.609 1.00 0.00 O ATOM 423 CB PHE A 27 -1.572 16.816 6.945 1.00 0.00 C ATOM 424 CG PHE A 27 -1.460 15.808 5.837 1.00 0.00 C ATOM 425 CD1 PHE A 27 -0.396 15.851 4.950 1.00 0.00 C ATOM 426 CD2 PHE A 27 -2.417 14.819 5.684 1.00 0.00 C ATOM 427 CE1 PHE A 27 -0.291 14.924 3.930 1.00 0.00 C ATOM 428 CE2 PHE A 27 -2.317 13.890 4.666 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.252 13.942 3.787 1.00 0.00 C ATOM 0 H PHE A 27 -0.048 15.111 9.134 1.00 0.00 H new ATOM 0 HA PHE A 27 0.486 16.400 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.495 16.637 7.496 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.648 17.813 6.512 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.359 16.616 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.251 14.773 6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.543 14.967 3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.071 13.124 4.557 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.171 13.217 2.991 1.00 0.00 H new ATOM 439 N ASN A 28 0.259 19.080 7.482 1.00 0.00 N ATOM 440 CA ASN A 28 0.577 20.463 7.820 1.00 0.00 C ATOM 441 C ASN A 28 1.761 20.530 8.779 1.00 0.00 C ATOM 442 O ASN A 28 1.842 21.426 9.619 1.00 0.00 O ATOM 443 CB ASN A 28 -0.640 21.149 8.443 1.00 0.00 C ATOM 444 CG ASN A 28 -1.581 21.719 7.400 1.00 0.00 C ATOM 445 OD1 ASN A 28 -1.462 22.880 7.010 1.00 0.00 O ATOM 446 ND2 ASN A 28 -2.521 20.901 6.942 1.00 0.00 N ATOM 0 H ASN A 28 0.327 18.863 6.488 1.00 0.00 H new ATOM 0 HA ASN A 28 0.848 20.983 6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.180 20.432 9.062 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.304 21.950 9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.182 21.228 6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.582 19.946 7.295 1.00 0.00 H new ATOM 453 N ASP A 29 2.677 19.576 8.647 1.00 0.00 N ATOM 454 CA ASP A 29 3.858 19.528 9.502 1.00 0.00 C ATOM 455 C ASP A 29 4.929 18.644 8.921 1.00 0.00 C ATOM 456 O ASP A 29 5.424 17.734 9.587 1.00 0.00 O ATOM 457 CB ASP A 29 3.483 19.057 10.909 1.00 0.00 C ATOM 458 CG ASP A 29 4.471 19.527 11.958 1.00 0.00 C ATOM 459 OD1 ASP A 29 4.440 20.725 12.310 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.277 18.695 12.429 1.00 0.00 O ATOM 0 H ASP A 29 2.624 18.827 7.957 1.00 0.00 H new ATOM 0 HA ASP A 29 4.260 20.539 9.564 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.488 19.426 11.160 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.432 17.968 10.923 1.00 0.00 H new ATOM 465 N PRO A 30 5.351 18.918 7.679 1.00 0.00 N ATOM 466 CA PRO A 30 6.404 18.152 7.079 1.00 0.00 C ATOM 467 C PRO A 30 7.747 18.652 7.577 1.00 0.00 C ATOM 468 O PRO A 30 8.103 19.817 7.401 1.00 0.00 O ATOM 469 CB PRO A 30 6.248 18.417 5.572 1.00 0.00 C ATOM 470 CG PRO A 30 5.158 19.438 5.429 1.00 0.00 C ATOM 471 CD PRO A 30 4.889 19.996 6.801 1.00 0.00 C ATOM 0 HA PRO A 30 6.353 17.090 7.318 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.181 18.783 5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.992 17.500 5.041 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.460 20.230 4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.258 18.984 5.015 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.434 20.923 6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.832 20.215 6.950 1.00 0.00 H new ATOM 479 N LEU A 31 8.478 17.756 8.195 1.00 0.00 N ATOM 480 CA LEU A 31 9.796 18.066 8.737 1.00 0.00 C ATOM 481 C LEU A 31 10.889 17.343 7.956 1.00 0.00 C ATOM 482 O LEU A 31 11.999 17.855 7.805 1.00 0.00 O ATOM 483 CB LEU A 31 9.867 17.680 10.215 1.00 0.00 C ATOM 484 CG LEU A 31 10.716 18.606 11.087 1.00 0.00 C ATOM 485 CD1 LEU A 31 12.117 18.745 10.511 1.00 0.00 C ATOM 486 CD2 LEU A 31 10.054 19.969 11.217 1.00 0.00 C ATOM 0 H LEU A 31 8.184 16.790 8.341 1.00 0.00 H new ATOM 0 HA LEU A 31 9.957 19.140 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.854 17.655 10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.265 16.668 10.292 1.00 0.00 H new ATOM 0 HG LEU A 31 10.796 18.166 12.081 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.707 19.407 11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.592 17.765 10.469 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.057 19.162 9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.671 20.615 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.944 20.416 10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.071 19.854 11.675 1.00 0.00 H new ATOM 498 N VAL A 32 10.568 16.152 7.463 1.00 0.00 N ATOM 499 CA VAL A 32 11.522 15.360 6.698 1.00 0.00 C ATOM 500 C VAL A 32 11.535 15.781 5.232 1.00 0.00 C ATOM 501 O VAL A 32 10.568 16.352 4.730 1.00 0.00 O ATOM 502 CB VAL A 32 11.201 13.856 6.784 1.00 0.00 C ATOM 503 CG1 VAL A 32 12.315 13.034 6.154 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.974 13.441 8.230 1.00 0.00 C ATOM 0 H VAL A 32 9.654 15.714 7.580 1.00 0.00 H new ATOM 0 HA VAL A 32 12.504 15.540 7.135 1.00 0.00 H new ATOM 0 HB VAL A 32 10.283 13.667 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.070 11.974 6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.424 13.312 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.250 13.226 6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.748 12.375 8.272 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.873 13.645 8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.138 14.005 8.644 1.00 0.00 H new ATOM 514 N SER A 33 12.640 15.495 4.549 1.00 0.00 N ATOM 515 CA SER A 33 12.779 15.843 3.140 1.00 0.00 C ATOM 516 C SER A 33 11.747 15.107 2.292 1.00 0.00 C ATOM 517 O SER A 33 11.323 14.002 2.633 1.00 0.00 O ATOM 518 CB SER A 33 14.189 15.513 2.648 1.00 0.00 C ATOM 519 OG SER A 33 14.653 16.491 1.734 1.00 0.00 O ATOM 0 H SER A 33 13.451 15.023 4.949 1.00 0.00 H new ATOM 0 HA SER A 33 12.608 16.915 3.039 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.869 15.453 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.190 14.534 2.169 1.00 0.00 H new ATOM 0 HG SER A 33 15.557 16.258 1.436 1.00 0.00 H new ATOM 525 N GLU A 34 11.345 15.726 1.188 1.00 0.00 N ATOM 526 CA GLU A 34 10.362 15.130 0.291 1.00 0.00 C ATOM 527 C GLU A 34 10.896 13.838 -0.320 1.00 0.00 C ATOM 528 O GLU A 34 10.134 12.914 -0.607 1.00 0.00 O ATOM 529 CB GLU A 34 9.987 16.116 -0.818 1.00 0.00 C ATOM 530 CG GLU A 34 11.180 16.606 -1.623 1.00 0.00 C ATOM 531 CD GLU A 34 11.689 17.953 -1.150 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.855 18.856 -0.919 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.920 18.107 -1.009 1.00 0.00 O ATOM 0 H GLU A 34 11.685 16.641 0.892 1.00 0.00 H new ATOM 0 HA GLU A 34 9.471 14.894 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.275 15.639 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.481 16.974 -0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.985 15.874 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.900 16.676 -2.674 1.00 0.00 H new ATOM 540 N GLU A 35 12.208 13.781 -0.516 1.00 0.00 N ATOM 541 CA GLU A 35 12.845 12.602 -1.093 1.00 0.00 C ATOM 542 C GLU A 35 12.792 11.426 -0.123 1.00 0.00 C ATOM 543 O GLU A 35 12.530 10.291 -0.521 1.00 0.00 O ATOM 544 CB GLU A 35 14.297 12.908 -1.461 1.00 0.00 C ATOM 545 CG GLU A 35 14.802 12.117 -2.657 1.00 0.00 C ATOM 546 CD GLU A 35 16.166 12.582 -3.129 1.00 0.00 C ATOM 547 OE1 GLU A 35 16.484 13.775 -2.942 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.915 11.753 -3.687 1.00 0.00 O ATOM 0 H GLU A 35 12.852 14.537 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 35 12.298 12.331 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.392 13.973 -1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.933 12.697 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.853 11.060 -2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.088 12.207 -3.476 1.00 0.00 H new ATOM 555 N ASP A 36 13.043 11.705 1.152 1.00 0.00 N ATOM 556 CA ASP A 36 13.025 10.670 2.180 1.00 0.00 C ATOM 557 C ASP A 36 11.613 10.144 2.403 1.00 0.00 C ATOM 558 O ASP A 36 11.420 9.004 2.825 1.00 0.00 O ATOM 559 CB ASP A 36 13.599 11.209 3.491 1.00 0.00 C ATOM 560 CG ASP A 36 14.424 10.173 4.230 1.00 0.00 C ATOM 561 OD1 ASP A 36 13.838 9.184 4.716 1.00 0.00 O ATOM 562 OD2 ASP A 36 15.657 10.352 4.320 1.00 0.00 O ATOM 0 H ASP A 36 13.261 12.639 1.498 1.00 0.00 H new ATOM 0 HA ASP A 36 13.647 9.844 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.219 12.081 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.783 11.544 4.131 1.00 0.00 H new ATOM 567 N MET A 37 10.637 10.986 2.116 1.00 0.00 N ATOM 568 CA MET A 37 9.234 10.623 2.280 1.00 0.00 C ATOM 569 C MET A 37 8.852 9.485 1.339 1.00 0.00 C ATOM 570 O MET A 37 8.036 8.630 1.681 1.00 0.00 O ATOM 571 CB MET A 37 8.338 11.836 2.024 1.00 0.00 C ATOM 572 CG MET A 37 6.918 11.663 2.534 1.00 0.00 C ATOM 573 SD MET A 37 6.681 12.359 4.180 1.00 0.00 S ATOM 574 CE MET A 37 6.914 14.103 3.848 1.00 0.00 C ATOM 0 H MET A 37 10.788 11.932 1.766 1.00 0.00 H new ATOM 0 HA MET A 37 9.090 10.285 3.306 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.781 12.711 2.499 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.308 12.035 0.953 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.226 12.139 1.839 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.670 10.602 2.553 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.359 14.690 4.580 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.974 14.348 3.915 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.551 14.334 2.847 1.00 0.00 H new ATOM 584 N VAL A 38 9.449 9.483 0.151 1.00 0.00 N ATOM 585 CA VAL A 38 9.171 8.451 -0.841 1.00 0.00 C ATOM 586 C VAL A 38 9.698 7.094 -0.385 1.00 0.00 C ATOM 587 O VAL A 38 9.056 6.065 -0.598 1.00 0.00 O ATOM 588 CB VAL A 38 9.796 8.800 -2.205 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.331 7.821 -3.272 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.459 10.230 -2.597 1.00 0.00 C ATOM 0 H VAL A 38 10.127 10.184 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 38 8.088 8.400 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 38 10.880 8.719 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.783 8.084 -4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.631 6.811 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.245 7.866 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.909 10.458 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.377 10.343 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.849 10.915 -1.844 1.00 0.00 H new ATOM 600 N THR A 39 10.870 7.100 0.241 1.00 0.00 N ATOM 601 CA THR A 39 11.483 5.869 0.726 1.00 0.00 C ATOM 602 C THR A 39 10.609 5.207 1.787 1.00 0.00 C ATOM 603 O THR A 39 10.528 3.981 1.862 1.00 0.00 O ATOM 604 CB THR A 39 12.871 6.158 1.299 1.00 0.00 C ATOM 605 OG1 THR A 39 13.475 7.248 0.626 1.00 0.00 O ATOM 606 CG2 THR A 39 13.815 4.979 1.202 1.00 0.00 C ATOM 0 H THR A 39 11.414 7.943 0.424 1.00 0.00 H new ATOM 0 HA THR A 39 11.581 5.184 -0.117 1.00 0.00 H new ATOM 0 HB THR A 39 12.707 6.387 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.361 7.418 1.008 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.782 5.251 1.626 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.401 4.135 1.754 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.943 4.701 0.156 1.00 0.00 H new ATOM 614 N VAL A 40 9.958 6.027 2.606 1.00 0.00 N ATOM 615 CA VAL A 40 9.089 5.521 3.662 1.00 0.00 C ATOM 616 C VAL A 40 7.959 4.675 3.086 1.00 0.00 C ATOM 617 O VAL A 40 7.737 3.544 3.515 1.00 0.00 O ATOM 618 CB VAL A 40 8.485 6.669 4.492 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.748 6.122 5.705 1.00 0.00 C ATOM 620 CG2 VAL A 40 9.569 7.649 4.915 1.00 0.00 C ATOM 0 H VAL A 40 10.016 7.044 2.559 1.00 0.00 H new ATOM 0 HA VAL A 40 9.708 4.902 4.311 1.00 0.00 H new ATOM 0 HB VAL A 40 7.766 7.203 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.328 6.948 6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.944 5.464 5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.443 5.562 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.124 8.453 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.313 7.130 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.047 8.067 4.029 1.00 0.00 H new ATOM 630 N VAL A 41 7.247 5.233 2.112 1.00 0.00 N ATOM 631 CA VAL A 41 6.140 4.530 1.477 1.00 0.00 C ATOM 632 C VAL A 41 6.617 3.250 0.801 1.00 0.00 C ATOM 633 O VAL A 41 5.876 2.271 0.708 1.00 0.00 O ATOM 634 CB VAL A 41 5.437 5.417 0.431 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.169 4.745 -0.074 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.126 6.786 1.014 1.00 0.00 C ATOM 0 H VAL A 41 7.418 6.170 1.746 1.00 0.00 H new ATOM 0 HA VAL A 41 5.431 4.279 2.266 1.00 0.00 H new ATOM 0 HB VAL A 41 6.111 5.552 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.686 5.386 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.422 3.790 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.489 4.577 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.630 7.398 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.472 6.673 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.053 7.270 1.321 1.00 0.00 H new ATOM 646 N GLU A 42 7.860 3.263 0.331 1.00 0.00 N ATOM 647 CA GLU A 42 8.437 2.101 -0.337 1.00 0.00 C ATOM 648 C GLU A 42 8.674 0.966 0.653 1.00 0.00 C ATOM 649 O GLU A 42 8.411 -0.198 0.353 1.00 0.00 O ATOM 650 CB GLU A 42 9.753 2.481 -1.020 1.00 0.00 C ATOM 651 CG GLU A 42 9.567 3.325 -2.270 1.00 0.00 C ATOM 652 CD GLU A 42 10.850 3.484 -3.062 1.00 0.00 C ATOM 653 OE1 GLU A 42 11.667 4.358 -2.700 1.00 0.00 O ATOM 654 OE2 GLU A 42 11.040 2.736 -4.043 1.00 0.00 O ATOM 0 H GLU A 42 8.487 4.064 0.400 1.00 0.00 H new ATOM 0 HA GLU A 42 7.729 1.758 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.376 3.028 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.292 1.571 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.808 2.867 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.195 4.310 -1.987 1.00 0.00 H new ATOM 661 N ASP A 43 9.176 1.313 1.834 1.00 0.00 N ATOM 662 CA ASP A 43 9.449 0.322 2.870 1.00 0.00 C ATOM 663 C ASP A 43 8.172 -0.058 3.613 1.00 0.00 C ATOM 664 O ASP A 43 8.043 -1.175 4.114 1.00 0.00 O ATOM 665 CB ASP A 43 10.488 0.859 3.857 1.00 0.00 C ATOM 666 CG ASP A 43 11.440 -0.220 4.336 1.00 0.00 C ATOM 667 OD1 ASP A 43 11.877 -1.040 3.503 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.748 -0.242 5.547 1.00 0.00 O ATOM 0 H ASP A 43 9.402 2.272 2.098 1.00 0.00 H new ATOM 0 HA ASP A 43 9.844 -0.572 2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.058 1.658 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.978 1.297 4.715 1.00 0.00 H new ATOM 673 N TRP A 44 7.232 0.879 3.684 1.00 0.00 N ATOM 674 CA TRP A 44 5.965 0.643 4.369 1.00 0.00 C ATOM 675 C TRP A 44 5.222 -0.538 3.753 1.00 0.00 C ATOM 676 O TRP A 44 4.780 -1.444 4.461 1.00 0.00 O ATOM 677 CB TRP A 44 5.092 1.897 4.314 1.00 0.00 C ATOM 678 CG TRP A 44 5.217 2.764 5.530 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.277 2.826 6.388 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.245 3.693 6.025 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.025 3.737 7.385 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.784 4.283 7.184 1.00 0.00 C ATOM 683 CE3 TRP A 44 2.972 4.085 5.599 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.094 5.242 7.922 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.289 5.036 6.332 1.00 0.00 C ATOM 686 CH2 TRP A 44 2.851 5.605 7.482 1.00 0.00 C ATOM 0 H TRP A 44 7.323 1.809 3.276 1.00 0.00 H new ATOM 0 HA TRP A 44 6.183 0.405 5.410 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.361 2.479 3.433 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.050 1.600 4.194 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.182 2.244 6.296 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.658 3.969 8.150 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.531 3.652 4.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.525 5.683 8.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.305 5.346 6.013 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.291 6.346 8.033 1.00 0.00 H new ATOM 697 N MET A 45 5.085 -0.521 2.431 1.00 0.00 N ATOM 698 CA MET A 45 4.394 -1.592 1.721 1.00 0.00 C ATOM 699 C MET A 45 5.146 -2.912 1.857 1.00 0.00 C ATOM 700 O MET A 45 4.540 -3.982 1.895 1.00 0.00 O ATOM 701 CB MET A 45 4.232 -1.231 0.243 1.00 0.00 C ATOM 702 CG MET A 45 5.549 -1.144 -0.511 1.00 0.00 C ATOM 703 SD MET A 45 5.607 0.251 -1.652 1.00 0.00 S ATOM 704 CE MET A 45 3.994 0.129 -2.420 1.00 0.00 C ATOM 0 H MET A 45 5.443 0.222 1.830 1.00 0.00 H new ATOM 0 HA MET A 45 3.407 -1.712 2.168 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.597 -1.976 -0.237 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.715 -0.274 0.166 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.367 -1.058 0.204 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.707 -2.069 -1.066 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.072 0.394 -3.474 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.624 -0.892 -2.329 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.303 0.811 -1.925 1.00 0.00 H new ATOM 714 N ASN A 46 6.471 -2.828 1.930 1.00 0.00 N ATOM 715 CA ASN A 46 7.308 -4.016 2.060 1.00 0.00 C ATOM 716 C ASN A 46 6.913 -4.831 3.289 1.00 0.00 C ATOM 717 O ASN A 46 6.928 -6.062 3.259 1.00 0.00 O ATOM 718 CB ASN A 46 8.782 -3.619 2.150 1.00 0.00 C ATOM 719 CG ASN A 46 9.689 -4.595 1.426 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.770 -5.769 1.788 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.378 -4.113 0.399 1.00 0.00 N ATOM 0 H ASN A 46 6.988 -1.949 1.901 1.00 0.00 H new ATOM 0 HA ASN A 46 7.158 -4.633 1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.914 -2.623 1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.077 -3.562 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.006 -4.723 -0.125 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.280 -3.133 0.134 1.00 0.00 H new ATOM 728 N PHE A 47 6.561 -4.137 4.365 1.00 0.00 N ATOM 729 CA PHE A 47 6.163 -4.796 5.603 1.00 0.00 C ATOM 730 C PHE A 47 4.776 -5.415 5.468 1.00 0.00 C ATOM 731 O PHE A 47 4.523 -6.514 5.964 1.00 0.00 O ATOM 732 CB PHE A 47 6.178 -3.801 6.763 1.00 0.00 C ATOM 733 CG PHE A 47 6.633 -4.400 8.064 1.00 0.00 C ATOM 734 CD1 PHE A 47 5.721 -4.978 8.931 1.00 0.00 C ATOM 735 CD2 PHE A 47 7.973 -4.386 8.417 1.00 0.00 C ATOM 736 CE1 PHE A 47 6.135 -5.531 10.128 1.00 0.00 C ATOM 737 CE2 PHE A 47 8.394 -4.938 9.612 1.00 0.00 C ATOM 738 CZ PHE A 47 7.474 -5.510 10.469 1.00 0.00 C ATOM 0 H PHE A 47 6.543 -3.118 4.405 1.00 0.00 H new ATOM 0 HA PHE A 47 6.879 -5.592 5.807 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.833 -2.968 6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.176 -3.391 6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.674 -4.997 8.669 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.696 -3.939 7.751 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.414 -5.979 10.796 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.441 -4.922 9.876 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.801 -5.940 11.404 1.00 0.00 H new ATOM 748 N TYR A 48 3.880 -4.703 4.792 1.00 0.00 N ATOM 749 CA TYR A 48 2.517 -5.183 4.591 1.00 0.00 C ATOM 750 C TYR A 48 2.496 -6.387 3.655 1.00 0.00 C ATOM 751 O TYR A 48 1.815 -7.379 3.918 1.00 0.00 O ATOM 752 CB TYR A 48 1.639 -4.066 4.023 1.00 0.00 C ATOM 753 CG TYR A 48 1.372 -2.947 5.005 1.00 0.00 C ATOM 754 CD1 TYR A 48 0.557 -3.149 6.112 1.00 0.00 C ATOM 755 CD2 TYR A 48 1.934 -1.690 4.824 1.00 0.00 C ATOM 756 CE1 TYR A 48 0.311 -2.128 7.011 1.00 0.00 C ATOM 757 CE2 TYR A 48 1.693 -0.665 5.720 1.00 0.00 C ATOM 758 CZ TYR A 48 0.881 -0.889 6.811 1.00 0.00 C ATOM 759 OH TYR A 48 0.638 0.128 7.704 1.00 0.00 O ATOM 0 H TYR A 48 4.073 -3.793 4.374 1.00 0.00 H new ATOM 0 HA TYR A 48 2.121 -5.491 5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.120 -3.653 3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.688 -4.491 3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.109 -4.118 6.273 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.570 -1.510 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.325 -2.300 7.867 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.139 0.307 5.566 1.00 0.00 H new ATOM 0 HH TYR A 48 1.411 0.730 7.733 1.00 0.00 H new ATOM 769 N ILE A 49 3.245 -6.295 2.561 1.00 0.00 N ATOM 770 CA ILE A 49 3.312 -7.377 1.587 1.00 0.00 C ATOM 771 C ILE A 49 3.912 -8.635 2.206 1.00 0.00 C ATOM 772 O ILE A 49 3.534 -9.752 1.855 1.00 0.00 O ATOM 773 CB ILE A 49 4.145 -6.973 0.353 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.650 -5.641 -0.212 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.082 -8.060 -0.712 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.762 -4.753 -0.728 1.00 0.00 C ATOM 0 H ILE A 49 3.814 -5.482 2.327 1.00 0.00 H new ATOM 0 HA ILE A 49 2.290 -7.584 1.271 1.00 0.00 H new ATOM 0 HB ILE A 49 5.184 -6.853 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.948 -5.838 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.101 -5.108 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.675 -7.758 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.479 -8.990 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.047 -8.210 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.338 -3.826 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.453 -4.526 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.297 -5.267 -1.527 1.00 0.00 H new ATOM 788 N ASN A 50 4.849 -8.445 3.129 1.00 0.00 N ATOM 789 CA ASN A 50 5.501 -9.566 3.798 1.00 0.00 C ATOM 790 C ASN A 50 4.545 -10.247 4.771 1.00 0.00 C ATOM 791 O ASN A 50 4.621 -11.456 4.989 1.00 0.00 O ATOM 792 CB ASN A 50 6.750 -9.088 4.539 1.00 0.00 C ATOM 793 CG ASN A 50 7.894 -10.079 4.442 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.226 -10.556 3.358 1.00 0.00 O ATOM 795 ND2 ASN A 50 8.503 -10.393 5.579 1.00 0.00 N ATOM 0 H ASN A 50 5.174 -7.526 3.431 1.00 0.00 H new ATOM 0 HA ASN A 50 5.795 -10.291 3.039 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.068 -8.129 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.505 -8.921 5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.280 -11.054 5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.194 -9.973 6.456 1.00 0.00 H new ATOM 802 N TYR A 51 3.646 -9.461 5.356 1.00 0.00 N ATOM 803 CA TYR A 51 2.674 -9.988 6.308 1.00 0.00 C ATOM 804 C TYR A 51 1.577 -10.766 5.589 1.00 0.00 C ATOM 805 O TYR A 51 1.234 -11.881 5.981 1.00 0.00 O ATOM 806 CB TYR A 51 2.059 -8.850 7.123 1.00 0.00 C ATOM 807 CG TYR A 51 1.797 -9.212 8.567 1.00 0.00 C ATOM 808 CD1 TYR A 51 2.809 -9.135 9.517 1.00 0.00 C ATOM 809 CD2 TYR A 51 0.539 -9.629 8.982 1.00 0.00 C ATOM 810 CE1 TYR A 51 2.574 -9.465 10.838 1.00 0.00 C ATOM 811 CE2 TYR A 51 0.296 -9.959 10.302 1.00 0.00 C ATOM 812 CZ TYR A 51 1.317 -9.876 11.225 1.00 0.00 C ATOM 813 OH TYR A 51 1.079 -10.205 12.540 1.00 0.00 O ATOM 0 H TYR A 51 3.570 -8.458 5.188 1.00 0.00 H new ATOM 0 HA TYR A 51 3.194 -10.668 6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.726 -7.988 7.088 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.121 -8.547 6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.795 -8.812 9.218 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.263 -9.697 8.261 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.371 -9.401 11.564 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.688 -10.280 10.609 1.00 0.00 H new ATOM 0 HH TYR A 51 0.142 -10.473 12.646 1.00 0.00 H new ATOM 823 N TYR A 52 1.030 -10.170 4.535 1.00 0.00 N ATOM 824 CA TYR A 52 -0.029 -10.808 3.761 1.00 0.00 C ATOM 825 C TYR A 52 0.455 -12.121 3.157 1.00 0.00 C ATOM 826 O TYR A 52 -0.254 -13.127 3.184 1.00 0.00 O ATOM 827 CB TYR A 52 -0.515 -9.871 2.654 1.00 0.00 C ATOM 828 CG TYR A 52 -1.120 -8.585 3.169 1.00 0.00 C ATOM 829 CD1 TYR A 52 -2.116 -8.603 4.136 1.00 0.00 C ATOM 830 CD2 TYR A 52 -0.694 -7.353 2.687 1.00 0.00 C ATOM 831 CE1 TYR A 52 -2.672 -7.429 4.610 1.00 0.00 C ATOM 832 CE2 TYR A 52 -1.244 -6.175 3.157 1.00 0.00 C ATOM 833 CZ TYR A 52 -2.232 -6.219 4.117 1.00 0.00 C ATOM 834 OH TYR A 52 -2.782 -5.049 4.587 1.00 0.00 O ATOM 0 H TYR A 52 1.302 -9.247 4.197 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.858 -11.023 4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.323 -9.631 1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.255 -10.393 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.462 -9.549 4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.079 -7.315 1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.446 -7.460 5.362 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.901 -5.225 2.774 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.956 -5.132 5.548 1.00 0.00 H new ATOM 844 N ARG A 53 1.668 -12.105 2.612 1.00 0.00 N ATOM 845 CA ARG A 53 2.248 -13.294 2.001 1.00 0.00 C ATOM 846 C ARG A 53 2.351 -14.433 3.013 1.00 0.00 C ATOM 847 O ARG A 53 2.343 -15.608 2.641 1.00 0.00 O ATOM 848 CB ARG A 53 3.632 -12.977 1.433 1.00 0.00 C ATOM 849 CG ARG A 53 3.987 -13.797 0.204 1.00 0.00 C ATOM 850 CD ARG A 53 4.924 -13.038 -0.722 1.00 0.00 C ATOM 851 NE ARG A 53 5.418 -13.877 -1.812 1.00 0.00 N ATOM 852 CZ ARG A 53 6.388 -13.514 -2.646 1.00 0.00 C ATOM 853 NH1 ARG A 53 6.971 -12.327 -2.520 1.00 0.00 N ATOM 854 NH2 ARG A 53 6.777 -14.337 -3.610 1.00 0.00 N ATOM 0 H ARG A 53 2.268 -11.281 2.582 1.00 0.00 H new ATOM 0 HA ARG A 53 1.592 -13.611 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.677 -11.918 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.381 -13.152 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.456 -14.731 0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.076 -14.060 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.403 -12.175 -1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.768 -12.655 -0.149 1.00 0.00 H new ATOM 0 HE ARG A 53 4.994 -14.796 -1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.675 -11.689 -1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.715 -12.053 -3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.332 -15.249 -3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.521 -14.058 -4.249 1.00 0.00 H new ATOM 868 N GLN A 54 2.448 -14.080 4.291 1.00 0.00 N ATOM 869 CA GLN A 54 2.552 -15.075 5.352 1.00 0.00 C ATOM 870 C GLN A 54 1.172 -15.511 5.847 1.00 0.00 C ATOM 871 O GLN A 54 1.062 -16.226 6.843 1.00 0.00 O ATOM 872 CB GLN A 54 3.368 -14.515 6.519 1.00 0.00 C ATOM 873 CG GLN A 54 4.871 -14.639 6.327 1.00 0.00 C ATOM 874 CD GLN A 54 5.606 -14.896 7.627 1.00 0.00 C ATOM 875 OE1 GLN A 54 5.903 -16.040 7.971 1.00 0.00 O ATOM 876 NE2 GLN A 54 5.903 -13.829 8.360 1.00 0.00 N ATOM 0 H GLN A 54 2.457 -13.113 4.616 1.00 0.00 H new ATOM 0 HA GLN A 54 3.056 -15.949 4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.114 -13.464 6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.083 -15.036 7.433 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.079 -15.451 5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.252 -13.724 5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.638 -12.899 8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.396 -13.940 9.246 1.00 0.00 H new ATOM 885 N GLN A 55 0.123 -15.079 5.150 1.00 0.00 N ATOM 886 CA GLN A 55 -1.240 -15.432 5.528 1.00 0.00 C ATOM 887 C GLN A 55 -2.093 -15.710 4.294 1.00 0.00 C ATOM 888 O GLN A 55 -3.237 -15.264 4.204 1.00 0.00 O ATOM 889 CB GLN A 55 -1.867 -14.309 6.357 1.00 0.00 C ATOM 890 CG GLN A 55 -2.822 -14.806 7.430 1.00 0.00 C ATOM 891 CD GLN A 55 -2.185 -14.837 8.806 1.00 0.00 C ATOM 892 OE1 GLN A 55 -1.707 -15.876 9.259 1.00 0.00 O ATOM 893 NE2 GLN A 55 -2.178 -13.692 9.480 1.00 0.00 N ATOM 0 H GLN A 55 0.192 -14.486 4.323 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.201 -16.340 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.073 -13.730 6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.402 -13.632 5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.702 -14.163 7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.166 -15.807 7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.586 -12.854 9.066 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.765 -13.651 10.412 1.00 0.00 H new ATOM 902 N VAL A 56 -1.529 -16.449 3.345 1.00 0.00 N ATOM 903 CA VAL A 56 -2.239 -16.787 2.114 1.00 0.00 C ATOM 904 C VAL A 56 -2.566 -18.276 2.065 1.00 0.00 C ATOM 905 O VAL A 56 -2.151 -19.041 2.935 1.00 0.00 O ATOM 906 CB VAL A 56 -1.426 -16.408 0.852 1.00 0.00 C ATOM 907 CG1 VAL A 56 -2.235 -15.488 -0.049 1.00 0.00 C ATOM 908 CG2 VAL A 56 -0.098 -15.761 1.224 1.00 0.00 C ATOM 0 H VAL A 56 -0.583 -16.826 3.403 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.162 -16.208 2.119 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.209 -17.326 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.647 -15.233 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.150 -15.993 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.489 -14.578 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.450 -15.506 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.284 -14.856 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.492 -16.457 1.820 1.00 0.00 H new ATOM 918 N THR A 57 -3.305 -18.679 1.036 1.00 0.00 N ATOM 919 CA THR A 57 -3.686 -20.068 0.858 1.00 0.00 C ATOM 920 C THR A 57 -4.244 -20.287 -0.540 1.00 0.00 C ATOM 921 O THR A 57 -4.908 -19.417 -1.104 1.00 0.00 O ATOM 922 CB THR A 57 -4.724 -20.492 1.895 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.667 -19.458 2.116 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.123 -20.862 3.234 1.00 0.00 C ATOM 0 H THR A 57 -3.652 -18.054 0.309 1.00 0.00 H new ATOM 0 HA THR A 57 -2.793 -20.678 0.992 1.00 0.00 H new ATOM 0 HB THR A 57 -5.201 -21.378 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.324 -19.751 2.782 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.917 -21.153 3.921 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.432 -21.695 3.105 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.586 -20.005 3.641 1.00 0.00 H new ATOM 932 N GLY A 58 -3.962 -21.452 -1.088 1.00 0.00 N ATOM 933 CA GLY A 58 -4.427 -21.788 -2.416 1.00 0.00 C ATOM 934 C GLY A 58 -3.361 -22.473 -3.241 1.00 0.00 C ATOM 935 O GLY A 58 -2.739 -23.437 -2.795 1.00 0.00 O ATOM 0 H GLY A 58 -3.413 -22.181 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.298 -22.439 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.751 -20.880 -2.926 1.00 0.00 H new ATOM 939 N GLU A 59 -3.152 -21.968 -4.444 1.00 0.00 N ATOM 940 CA GLU A 59 -2.154 -22.523 -5.349 1.00 0.00 C ATOM 941 C GLU A 59 -0.948 -21.591 -5.455 1.00 0.00 C ATOM 942 O GLU A 59 -1.060 -20.391 -5.209 1.00 0.00 O ATOM 943 CB GLU A 59 -2.759 -22.754 -6.735 1.00 0.00 C ATOM 944 CG GLU A 59 -4.153 -23.359 -6.699 1.00 0.00 C ATOM 945 CD GLU A 59 -4.355 -24.422 -7.761 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.644 -24.055 -8.919 1.00 0.00 O ATOM 947 OE2 GLU A 59 -4.223 -25.620 -7.436 1.00 0.00 O ATOM 0 H GLU A 59 -3.662 -21.169 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.822 -23.480 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.798 -21.804 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.102 -23.411 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.331 -23.795 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.892 -22.569 -6.836 1.00 0.00 H new ATOM 954 N PRO A 60 0.224 -22.134 -5.827 1.00 0.00 N ATOM 955 CA PRO A 60 1.451 -21.343 -5.964 1.00 0.00 C ATOM 956 C PRO A 60 1.235 -20.074 -6.782 1.00 0.00 C ATOM 957 O PRO A 60 1.639 -18.985 -6.373 1.00 0.00 O ATOM 958 CB PRO A 60 2.402 -22.294 -6.691 1.00 0.00 C ATOM 959 CG PRO A 60 1.939 -23.656 -6.304 1.00 0.00 C ATOM 960 CD PRO A 60 0.446 -23.559 -6.141 1.00 0.00 C ATOM 0 HA PRO A 60 1.825 -20.997 -5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.356 -22.152 -7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.436 -22.127 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.201 -24.388 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.412 -23.980 -5.377 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.077 -23.856 -7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.087 -24.207 -5.341 1.00 0.00 H new ATOM 968 N GLN A 61 0.597 -20.221 -7.937 1.00 0.00 N ATOM 969 CA GLN A 61 0.329 -19.087 -8.813 1.00 0.00 C ATOM 970 C GLN A 61 -0.811 -18.231 -8.267 1.00 0.00 C ATOM 971 O GLN A 61 -0.858 -17.023 -8.501 1.00 0.00 O ATOM 972 CB GLN A 61 -0.015 -19.575 -10.222 1.00 0.00 C ATOM 973 CG GLN A 61 -1.294 -20.394 -10.286 1.00 0.00 C ATOM 974 CD GLN A 61 -1.278 -21.413 -11.410 1.00 0.00 C ATOM 975 OE1 GLN A 61 -0.230 -21.958 -11.754 1.00 0.00 O ATOM 976 NE2 GLN A 61 -2.445 -21.674 -11.989 1.00 0.00 N ATOM 0 H GLN A 61 0.255 -21.115 -8.289 1.00 0.00 H new ATOM 0 HA GLN A 61 1.229 -18.474 -8.856 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.112 -18.713 -10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.811 -20.176 -10.601 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.440 -20.908 -9.336 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.144 -19.724 -10.419 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.290 -21.198 -11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.496 -22.350 -12.751 1.00 0.00 H new ATOM 985 N GLU A 62 -1.728 -18.863 -7.541 1.00 0.00 N ATOM 986 CA GLU A 62 -2.865 -18.154 -6.965 1.00 0.00 C ATOM 987 C GLU A 62 -2.401 -17.134 -5.931 1.00 0.00 C ATOM 988 O GLU A 62 -2.774 -15.963 -5.991 1.00 0.00 O ATOM 989 CB GLU A 62 -3.841 -19.146 -6.329 1.00 0.00 C ATOM 990 CG GLU A 62 -5.191 -19.203 -7.027 1.00 0.00 C ATOM 991 CD GLU A 62 -6.353 -19.064 -6.063 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.355 -18.102 -5.268 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.264 -19.919 -6.105 1.00 0.00 O ATOM 0 H GLU A 62 -1.706 -19.862 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.376 -17.620 -7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.394 -20.140 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.993 -18.875 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.245 -18.409 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.279 -20.148 -7.562 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.582 -17.585 -4.987 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.065 -16.710 -3.946 1.00 0.00 C ATOM 1002 C ARG A 63 -0.260 -15.568 -4.555 1.00 0.00 C ATOM 1003 O ARG A 63 -0.280 -14.443 -4.056 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.195 -17.506 -2.975 1.00 0.00 C ATOM 1005 CG ARG A 63 0.879 -18.337 -3.659 1.00 0.00 C ATOM 1006 CD ARG A 63 2.020 -18.661 -2.709 1.00 0.00 C ATOM 1007 NE ARG A 63 1.648 -19.680 -1.733 1.00 0.00 N ATOM 1008 CZ ARG A 63 2.526 -20.402 -1.042 1.00 0.00 C ATOM 1009 NH1 ARG A 63 3.830 -20.219 -1.215 1.00 0.00 N ATOM 1010 NH2 ARG A 63 2.102 -21.311 -0.174 1.00 0.00 N ATOM 0 H ARG A 63 -1.263 -18.552 -4.923 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.908 -16.286 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.281 -16.816 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.833 -18.166 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.441 -19.263 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.265 -17.795 -4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.881 -19.005 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.326 -17.754 -2.187 1.00 0.00 H new ATOM 0 HE ARG A 63 0.655 -19.849 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.163 -19.522 -1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.498 -20.776 -0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.102 -21.457 -0.036 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.776 -21.864 0.355 1.00 0.00 H new ATOM 1024 N ASP A 64 0.447 -15.866 -5.641 1.00 0.00 N ATOM 1025 CA ASP A 64 1.257 -14.867 -6.326 1.00 0.00 C ATOM 1026 C ASP A 64 0.375 -13.858 -7.054 1.00 0.00 C ATOM 1027 O ASP A 64 0.701 -12.674 -7.129 1.00 0.00 O ATOM 1028 CB ASP A 64 2.203 -15.544 -7.319 1.00 0.00 C ATOM 1029 CG ASP A 64 3.545 -14.845 -7.408 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.624 -13.792 -8.076 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.518 -15.349 -6.809 1.00 0.00 O ATOM 0 H ASP A 64 0.475 -16.793 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 64 1.845 -14.335 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.356 -16.581 -7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.739 -15.560 -8.305 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.743 -14.337 -7.589 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.673 -13.479 -8.314 1.00 0.00 C ATOM 1038 C LYS A 65 -2.294 -12.438 -7.388 1.00 0.00 C ATOM 1039 O LYS A 65 -2.450 -11.276 -7.761 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.771 -14.321 -8.966 1.00 0.00 C ATOM 1041 CG LYS A 65 -3.164 -13.839 -10.354 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.406 -12.964 -10.310 1.00 0.00 C ATOM 1043 CE LYS A 65 -4.049 -11.487 -10.332 1.00 0.00 C ATOM 1044 NZ LYS A 65 -5.012 -10.695 -11.148 1.00 0.00 N ATOM 0 H LYS A 65 -1.027 -15.315 -7.534 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.115 -12.956 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.433 -15.355 -9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.652 -14.313 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.338 -13.279 -10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.346 -14.698 -11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.047 -13.197 -11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.978 -13.188 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.034 -11.102 -9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.044 -11.362 -10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.734 -9.693 -11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.008 -11.046 -12.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.968 -10.793 -10.749 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.648 -12.863 -6.179 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.253 -11.966 -5.203 1.00 0.00 C ATOM 1060 C ALA A 66 -2.218 -11.009 -4.623 1.00 0.00 C ATOM 1061 O ALA A 66 -2.508 -9.838 -4.380 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.915 -12.766 -4.091 1.00 0.00 C ATOM 0 H ALA A 66 -2.526 -13.822 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.013 -11.374 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.363 -12.083 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.689 -13.406 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.168 -13.383 -3.592 1.00 0.00 H new ATOM 1068 N LEU A 67 -1.011 -11.516 -4.402 1.00 0.00 N ATOM 1069 CA LEU A 67 0.068 -10.709 -3.849 1.00 0.00 C ATOM 1070 C LEU A 67 0.644 -9.765 -4.901 1.00 0.00 C ATOM 1071 O LEU A 67 1.115 -8.674 -4.581 1.00 0.00 O ATOM 1072 CB LEU A 67 1.167 -11.610 -3.290 1.00 0.00 C ATOM 1073 CG LEU A 67 1.526 -11.362 -1.825 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.889 -9.901 -1.603 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.371 -11.771 -0.922 1.00 0.00 C ATOM 0 H LEU A 67 -0.755 -12.484 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.342 -10.104 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.855 -12.649 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.064 -11.480 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 67 2.394 -11.971 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.141 -9.744 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.745 -9.640 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.041 -9.271 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.640 -11.589 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.514 -11.187 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.158 -12.831 -1.061 1.00 0.00 H new ATOM 1087 N GLN A 68 0.603 -10.196 -6.158 1.00 0.00 N ATOM 1088 CA GLN A 68 1.122 -9.392 -7.259 1.00 0.00 C ATOM 1089 C GLN A 68 0.290 -8.129 -7.455 1.00 0.00 C ATOM 1090 O GLN A 68 0.828 -7.058 -7.734 1.00 0.00 O ATOM 1091 CB GLN A 68 1.137 -10.211 -8.551 1.00 0.00 C ATOM 1092 CG GLN A 68 2.375 -11.080 -8.707 1.00 0.00 C ATOM 1093 CD GLN A 68 3.513 -10.354 -9.396 1.00 0.00 C ATOM 1094 OE1 GLN A 68 4.220 -9.556 -8.779 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.696 -10.627 -10.682 1.00 0.00 N ATOM 0 H GLN A 68 0.216 -11.097 -6.439 1.00 0.00 H new ATOM 0 HA GLN A 68 2.141 -9.097 -7.009 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.252 -10.846 -8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.070 -9.533 -9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.705 -11.416 -7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.119 -11.972 -9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.086 -11.295 -11.153 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.446 -10.169 -11.199 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.024 -8.260 -7.309 1.00 0.00 N ATOM 1105 CA GLU A 69 -1.928 -7.128 -7.472 1.00 0.00 C ATOM 1106 C GLU A 69 -1.850 -6.191 -6.277 1.00 0.00 C ATOM 1107 O GLU A 69 -2.048 -4.983 -6.409 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.366 -7.609 -7.673 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.361 -6.481 -7.887 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.701 -6.273 -9.350 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -4.881 -7.279 -10.067 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.785 -5.102 -9.780 1.00 0.00 O ATOM 0 H GLU A 69 -1.487 -9.139 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.617 -6.578 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.399 -8.279 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.671 -8.191 -6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.274 -6.697 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.951 -5.557 -7.478 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.545 -6.749 -5.114 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.424 -5.956 -3.899 1.00 0.00 C ATOM 1121 C LEU A 70 -0.480 -4.780 -4.131 1.00 0.00 C ATOM 1122 O LEU A 70 -0.615 -3.727 -3.507 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.915 -6.822 -2.745 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.595 -6.571 -1.398 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.579 -7.832 -0.549 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.916 -5.423 -0.665 1.00 0.00 C ATOM 0 H LEU A 70 -1.377 -7.747 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.409 -5.570 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.048 -7.870 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.156 -6.655 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.633 -6.295 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.067 -7.634 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.110 -8.628 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.548 -8.139 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.412 -5.258 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.131 -5.670 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.980 -4.517 -1.268 1.00 0.00 H new ATOM 1138 N ARG A 71 0.477 -4.973 -5.035 1.00 0.00 N ATOM 1139 CA ARG A 71 1.447 -3.932 -5.355 1.00 0.00 C ATOM 1140 C ARG A 71 0.783 -2.772 -6.088 1.00 0.00 C ATOM 1141 O ARG A 71 1.071 -1.606 -5.817 1.00 0.00 O ATOM 1142 CB ARG A 71 2.580 -4.507 -6.208 1.00 0.00 C ATOM 1143 CG ARG A 71 3.945 -3.927 -5.877 1.00 0.00 C ATOM 1144 CD ARG A 71 4.908 -4.065 -7.045 1.00 0.00 C ATOM 1145 NE ARG A 71 6.124 -3.280 -6.849 1.00 0.00 N ATOM 1146 CZ ARG A 71 7.137 -3.255 -7.711 1.00 0.00 C ATOM 1147 NH1 ARG A 71 7.085 -3.970 -8.828 1.00 0.00 N ATOM 1148 NH2 ARG A 71 8.207 -2.513 -7.456 1.00 0.00 N ATOM 0 H ARG A 71 0.601 -5.840 -5.558 1.00 0.00 H new ATOM 0 HA ARG A 71 1.859 -3.556 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.612 -5.588 -6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.361 -4.322 -7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.840 -2.875 -5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.355 -4.435 -5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.171 -5.115 -7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.414 -3.744 -7.962 1.00 0.00 H new ATOM 0 HE ARG A 71 6.201 -2.718 -6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.265 -4.543 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.865 -3.947 -9.485 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.253 -1.962 -6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.984 -2.494 -8.117 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.107 -3.099 -7.019 1.00 0.00 N ATOM 1163 CA GLN A 72 -0.812 -2.084 -7.792 1.00 0.00 C ATOM 1164 C GLN A 72 -1.633 -1.177 -6.881 1.00 0.00 C ATOM 1165 O GLN A 72 -1.644 0.043 -7.051 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.724 -2.745 -8.828 1.00 0.00 C ATOM 1167 CG GLN A 72 -0.994 -3.196 -10.082 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.783 -2.921 -11.347 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -2.673 -3.688 -11.717 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -1.459 -1.823 -12.020 1.00 0.00 N ATOM 0 H GLN A 72 -0.357 -4.059 -7.256 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.069 -1.475 -8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.213 -3.606 -8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.510 -2.044 -9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.032 -2.687 -10.141 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.786 -4.264 -10.013 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.715 -1.216 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.954 -1.587 -12.880 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.318 -1.779 -5.915 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.140 -1.023 -4.977 1.00 0.00 C ATOM 1181 C GLU A 73 -2.292 -0.028 -4.191 1.00 0.00 C ATOM 1182 O GLU A 73 -2.602 1.163 -4.140 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.856 -1.972 -4.015 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.630 -3.077 -4.715 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.115 -2.783 -4.801 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.478 -1.596 -4.945 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -6.916 -3.739 -4.727 1.00 0.00 O ATOM 0 H GLU A 73 -2.321 -2.787 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.883 -0.468 -5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.121 -2.421 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.542 -1.397 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.232 -3.214 -5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.479 -4.015 -4.182 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.221 -0.523 -3.580 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.328 0.322 -2.796 1.00 0.00 C ATOM 1196 C LEU A 74 0.445 1.280 -3.697 1.00 0.00 C ATOM 1197 O LEU A 74 0.724 2.417 -3.317 1.00 0.00 O ATOM 1198 CB LEU A 74 0.646 -0.538 -1.990 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.009 -1.592 -1.095 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.044 -2.341 -0.294 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -1.025 -0.943 -0.166 1.00 0.00 C ATOM 0 H LEU A 74 -0.950 -1.506 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.936 0.910 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.322 -1.040 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.256 0.117 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.530 -2.308 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.559 -3.086 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.735 -2.837 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.593 -1.638 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.482 -1.706 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.525 -0.206 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.797 -0.451 -0.758 1.00 0.00 H new ATOM 1213 N ASN A 75 0.793 0.810 -4.891 1.00 0.00 N ATOM 1214 CA ASN A 75 1.536 1.624 -5.846 1.00 0.00 C ATOM 1215 C ASN A 75 0.760 2.886 -6.210 1.00 0.00 C ATOM 1216 O ASN A 75 1.301 3.991 -6.175 1.00 0.00 O ATOM 1217 CB ASN A 75 1.839 0.816 -7.109 1.00 0.00 C ATOM 1218 CG ASN A 75 2.689 1.588 -8.100 1.00 0.00 C ATOM 1219 OD1 ASN A 75 2.065 2.510 -8.823 1.00 0.00 O flip ATOM 1220 ND2 ASN A 75 3.893 1.357 -8.214 1.00 0.00 N flip ATOM 0 H ASN A 75 0.572 -0.130 -5.220 1.00 0.00 H new ATOM 0 HA ASN A 75 2.474 1.921 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.353 -0.105 -6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.902 0.527 -7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.331 0.639 -7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.452 1.884 -8.885 1.00 0.00 H new ATOM 1227 N THR A 76 -0.511 2.714 -6.560 1.00 0.00 N ATOM 1228 CA THR A 76 -1.359 3.836 -6.931 1.00 0.00 C ATOM 1229 C THR A 76 -1.801 4.624 -5.709 1.00 0.00 C ATOM 1230 O THR A 76 -1.908 5.846 -5.759 1.00 0.00 O ATOM 1231 CB THR A 76 -2.588 3.366 -7.688 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.031 2.107 -7.210 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.371 3.252 -9.183 1.00 0.00 C ATOM 0 H THR A 76 -0.975 1.806 -6.594 1.00 0.00 H new ATOM 0 HA THR A 76 -0.764 4.483 -7.576 1.00 0.00 H new ATOM 0 HB THR A 76 -3.341 4.134 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.555 1.392 -7.682 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.290 2.911 -9.659 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.093 4.226 -9.586 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.573 2.536 -9.381 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.072 3.923 -4.612 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.513 4.579 -3.386 1.00 0.00 C ATOM 1243 C LEU A 77 -1.571 5.729 -3.052 1.00 0.00 C ATOM 1244 O LEU A 77 -1.975 6.733 -2.465 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.558 3.581 -2.228 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.865 2.796 -2.101 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.691 1.617 -1.154 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.986 3.705 -1.623 1.00 0.00 C ATOM 0 H LEU A 77 -1.995 2.908 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.518 4.971 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.737 2.874 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.384 4.120 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.131 2.408 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.631 1.071 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.916 0.953 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.401 1.982 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.909 3.131 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.727 4.121 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.127 4.515 -2.338 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.317 5.577 -3.457 1.00 0.00 N ATOM 1261 CA ALA A 78 0.691 6.600 -3.240 1.00 0.00 C ATOM 1262 C ALA A 78 0.450 7.810 -4.144 1.00 0.00 C ATOM 1263 O ALA A 78 0.826 8.931 -3.802 1.00 0.00 O ATOM 1264 CB ALA A 78 2.081 6.030 -3.477 1.00 0.00 C ATOM 0 H ALA A 78 0.026 4.747 -3.941 1.00 0.00 H new ATOM 0 HA ALA A 78 0.619 6.933 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.826 6.808 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.258 5.204 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.156 5.669 -4.503 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.164 7.578 -5.311 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.427 8.658 -6.263 1.00 0.00 C ATOM 1272 C ASN A 79 -1.101 9.859 -5.593 1.00 0.00 C ATOM 1273 O ASN A 79 -0.605 10.982 -5.686 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.296 8.150 -7.415 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.883 8.735 -8.751 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.565 9.602 -9.299 1.00 0.00 O ATOM 1277 ND2 ASN A 79 0.237 8.262 -9.283 1.00 0.00 N ATOM 0 H ASN A 79 -0.485 6.659 -5.615 1.00 0.00 H new ATOM 0 HA ASN A 79 0.535 8.990 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.233 7.063 -7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.338 8.401 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.564 8.617 -10.181 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.770 7.543 -8.793 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.240 9.647 -4.909 1.00 0.00 N ATOM 1285 CA PRO A 80 -2.963 10.731 -4.234 1.00 0.00 C ATOM 1286 C PRO A 80 -2.173 11.313 -3.065 1.00 0.00 C ATOM 1287 O PRO A 80 -2.097 12.530 -2.901 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.242 10.056 -3.730 1.00 0.00 C ATOM 1289 CG PRO A 80 -3.899 8.610 -3.639 1.00 0.00 C ATOM 1290 CD PRO A 80 -2.916 8.349 -4.745 1.00 0.00 C ATOM 0 HA PRO A 80 -3.148 11.572 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.543 10.453 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.073 10.223 -4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.466 8.372 -2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.788 7.990 -3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.213 7.559 -4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.416 8.037 -5.662 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.587 10.436 -2.257 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.804 10.864 -1.104 1.00 0.00 C ATOM 1300 C PHE A 81 0.418 11.664 -1.544 1.00 0.00 C ATOM 1301 O PHE A 81 0.804 12.635 -0.893 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.364 9.651 -0.282 1.00 0.00 C ATOM 1303 CG PHE A 81 0.030 9.994 1.128 1.00 0.00 C ATOM 1304 CD1 PHE A 81 -0.902 10.508 2.015 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.331 9.801 1.564 1.00 0.00 C ATOM 1306 CE1 PHE A 81 -0.543 10.823 3.312 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.696 10.115 2.859 1.00 0.00 C ATOM 1308 CZ PHE A 81 0.757 10.626 3.735 1.00 0.00 C ATOM 0 H PHE A 81 -1.640 9.425 -2.379 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.433 11.505 -0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.176 8.924 -0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.478 9.171 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.920 10.664 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.068 9.401 0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.279 11.223 3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.714 9.961 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.039 10.871 4.748 1.00 0.00 H new ATOM 1318 N LEU A 82 1.023 11.250 -2.652 1.00 0.00 N ATOM 1319 CA LEU A 82 2.202 11.928 -3.179 1.00 0.00 C ATOM 1320 C LEU A 82 1.818 13.236 -3.863 1.00 0.00 C ATOM 1321 O LEU A 82 2.451 14.269 -3.649 1.00 0.00 O ATOM 1322 CB LEU A 82 2.940 11.021 -4.165 1.00 0.00 C ATOM 1323 CG LEU A 82 3.929 10.042 -3.529 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.359 8.988 -4.537 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.140 10.787 -2.985 1.00 0.00 C ATOM 0 H LEU A 82 0.716 10.448 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 82 2.862 12.157 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.204 10.452 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.478 11.646 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 82 3.432 9.540 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.062 8.301 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.485 8.435 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.839 9.472 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.833 10.076 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.638 11.315 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.817 11.504 -2.231 1.00 0.00 H new ATOM 1337 N ALA A 83 0.777 13.183 -4.688 1.00 0.00 N ATOM 1338 CA ALA A 83 0.309 14.363 -5.404 1.00 0.00 C ATOM 1339 C ALA A 83 -0.106 15.465 -4.435 1.00 0.00 C ATOM 1340 O ALA A 83 0.096 16.649 -4.704 1.00 0.00 O ATOM 1341 CB ALA A 83 -0.850 13.999 -6.319 1.00 0.00 C ATOM 0 H ALA A 83 0.242 12.335 -4.877 1.00 0.00 H new ATOM 0 HA ALA A 83 1.133 14.740 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.190 14.890 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.522 13.251 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.670 13.595 -5.725 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.686 15.067 -3.308 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.129 16.022 -2.298 1.00 0.00 C ATOM 1349 C LYS A 84 0.062 16.723 -1.652 1.00 0.00 C ATOM 1350 O LYS A 84 0.067 17.944 -1.496 1.00 0.00 O ATOM 1351 CB LYS A 84 -1.962 15.313 -1.228 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.122 16.148 -0.709 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.239 15.271 -0.168 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.608 15.837 -0.510 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.161 15.236 -1.755 1.00 0.00 N ATOM 0 H LYS A 84 -0.860 14.090 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.746 16.774 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.351 14.382 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.315 15.046 -0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.769 16.816 0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.507 16.777 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.146 14.266 -0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.141 15.182 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.294 15.654 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.535 16.918 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.095 15.648 -1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.520 15.432 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.255 14.208 -1.632 1.00 0.00 H new ATOM 1369 N TYR A 85 1.069 15.942 -1.275 1.00 0.00 N ATOM 1370 CA TYR A 85 2.266 16.487 -0.645 1.00 0.00 C ATOM 1371 C TYR A 85 2.991 17.442 -1.589 1.00 0.00 C ATOM 1372 O TYR A 85 3.352 18.555 -1.206 1.00 0.00 O ATOM 1373 CB TYR A 85 3.204 15.356 -0.220 1.00 0.00 C ATOM 1374 CG TYR A 85 3.087 14.988 1.242 1.00 0.00 C ATOM 1375 CD1 TYR A 85 3.036 15.970 2.223 1.00 0.00 C ATOM 1376 CD2 TYR A 85 3.028 13.658 1.640 1.00 0.00 C ATOM 1377 CE1 TYR A 85 2.928 15.638 3.560 1.00 0.00 C ATOM 1378 CE2 TYR A 85 2.921 13.318 2.975 1.00 0.00 C ATOM 1379 CZ TYR A 85 2.872 14.311 3.931 1.00 0.00 C ATOM 1380 OH TYR A 85 2.765 13.976 5.261 1.00 0.00 O ATOM 0 H TYR A 85 1.080 14.929 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 85 1.960 17.045 0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.994 14.474 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.232 15.650 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.082 17.010 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.066 12.878 0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.888 16.414 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.876 12.280 3.268 1.00 0.00 H new ATOM 0 HH TYR A 85 2.736 13.001 5.351 1.00 0.00 H new ATOM 1390 N ARG A 86 3.202 16.998 -2.824 1.00 0.00 N ATOM 1391 CA ARG A 86 3.885 17.811 -3.822 1.00 0.00 C ATOM 1392 C ARG A 86 3.132 19.114 -4.071 1.00 0.00 C ATOM 1393 O ARG A 86 3.740 20.159 -4.303 1.00 0.00 O ATOM 1394 CB ARG A 86 4.030 17.034 -5.132 1.00 0.00 C ATOM 1395 CG ARG A 86 4.906 15.798 -5.012 1.00 0.00 C ATOM 1396 CD ARG A 86 6.288 16.144 -4.483 1.00 0.00 C ATOM 1397 NE ARG A 86 7.179 14.986 -4.480 1.00 0.00 N ATOM 1398 CZ ARG A 86 7.803 14.528 -5.563 1.00 0.00 C ATOM 1399 NH1 ARG A 86 7.637 15.126 -6.736 1.00 0.00 N ATOM 1400 NH2 ARG A 86 8.596 13.469 -5.472 1.00 0.00 N ATOM 0 H ARG A 86 2.909 16.079 -3.157 1.00 0.00 H new ATOM 0 HA ARG A 86 4.877 18.053 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.041 16.736 -5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.449 17.694 -5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.431 15.077 -4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.998 15.320 -5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.723 16.934 -5.095 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.201 16.537 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 86 7.332 14.500 -3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.029 15.941 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.118 14.770 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.727 13.006 -4.573 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.074 13.117 -6.301 1.00 0.00 H new ATOM 1414 N ASP A 87 1.805 19.044 -4.022 1.00 0.00 N ATOM 1415 CA ASP A 87 0.970 20.218 -4.242 1.00 0.00 C ATOM 1416 C ASP A 87 0.928 21.098 -2.997 1.00 0.00 C ATOM 1417 O ASP A 87 0.806 22.319 -3.090 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.448 19.795 -4.629 1.00 0.00 C ATOM 1419 CG ASP A 87 -1.150 20.835 -5.481 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -1.790 21.740 -4.905 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.058 20.744 -6.723 1.00 0.00 O ATOM 0 H ASP A 87 1.286 18.187 -3.832 1.00 0.00 H new ATOM 0 HA ASP A 87 1.406 20.795 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.407 18.851 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.030 19.617 -3.725 1.00 0.00 H new ATOM 1426 N PHE A 88 1.030 20.469 -1.830 1.00 0.00 N ATOM 1427 CA PHE A 88 1.003 21.194 -0.565 1.00 0.00 C ATOM 1428 C PHE A 88 2.232 22.086 -0.423 1.00 0.00 C ATOM 1429 O PHE A 88 2.133 23.230 0.024 1.00 0.00 O ATOM 1430 CB PHE A 88 0.930 20.215 0.607 1.00 0.00 C ATOM 1431 CG PHE A 88 0.045 20.682 1.727 1.00 0.00 C ATOM 1432 CD1 PHE A 88 -1.211 21.203 1.462 1.00 0.00 C ATOM 1433 CD2 PHE A 88 0.469 20.602 3.043 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -2.030 21.634 2.491 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -0.343 21.031 4.075 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.594 21.548 3.798 1.00 0.00 C ATOM 0 H PHE A 88 1.132 19.459 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 88 0.115 21.826 -0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.566 19.254 0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.935 20.050 0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.555 21.274 0.441 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.446 20.199 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.008 22.037 2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.000 20.962 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.230 21.885 4.603 1.00 0.00 H new ATOM 1446 N LEU A 89 3.389 21.558 -0.806 1.00 0.00 N ATOM 1447 CA LEU A 89 4.637 22.307 -0.722 1.00 0.00 C ATOM 1448 C LEU A 89 5.396 22.254 -2.045 1.00 0.00 C ATOM 1449 O LEU A 89 5.403 23.222 -2.805 1.00 0.00 O ATOM 1450 CB LEU A 89 5.518 21.760 0.408 1.00 0.00 C ATOM 1451 CG LEU A 89 5.322 20.276 0.730 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.656 19.614 1.038 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.360 20.108 1.898 1.00 0.00 C ATOM 0 H LEU A 89 3.489 20.613 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 89 4.389 23.346 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.563 21.923 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.324 22.339 1.311 1.00 0.00 H new ATOM 0 HG LEU A 89 4.892 19.788 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.495 18.560 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.315 19.703 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.115 20.104 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.232 19.047 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.763 20.611 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.395 20.545 1.641 1.00 0.00 H new ATOM 1465 N LYS A 90 6.031 21.118 -2.315 1.00 0.00 N ATOM 1466 CA LYS A 90 6.790 20.942 -3.547 1.00 0.00 C ATOM 1467 C LYS A 90 6.915 19.463 -3.901 1.00 0.00 C ATOM 1468 O LYS A 90 6.943 19.146 -5.110 1.00 0.00 O ATOM 1469 CB LYS A 90 8.181 21.563 -3.407 1.00 0.00 C ATOM 1470 CG LYS A 90 9.022 21.462 -4.669 1.00 0.00 C ATOM 1471 CD LYS A 90 10.507 21.560 -4.358 1.00 0.00 C ATOM 1472 CE LYS A 90 11.324 20.627 -5.238 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.912 21.338 -6.406 1.00 0.00 N ATOM 1474 OXT LYS A 90 6.985 18.635 -2.970 1.00 1.00 O ATOM 0 H LYS A 90 6.035 20.306 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 90 6.253 21.447 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.075 22.613 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.708 21.072 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.816 20.516 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.741 22.257 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.843 22.587 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.677 21.315 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.122 20.177 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.691 19.813 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.461 20.667 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.150 21.746 -6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.537 22.099 -6.071 1.00 0.00 H new