USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 0.233 (180deg=0.00948) USER MOD Single : A 2 THR OG1 : rot 50:sc= 1.14 USER MOD Single : A 4 LYS NZ :NH3+ -143:sc= 2.31 (180deg=1.47) USER MOD Single : A 12 MET CE :methyl 174:sc= -2.1 (180deg=-2.27) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 19 ASN : amide:sc= -0.0636 X(o=-0.064,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.12 K(o=1.1,f=-0.003) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0.734 (180deg=0.51) USER MOD Single : A 33 ASN : amide:sc= 1.18 K(o=1.2,f=-0.2) USER MOD Single : A 37 ASN : amide:sc= -0.0491 X(o=-0.049,f=-0.14) USER MOD Single : A 42 THR OG1 : rot -69:sc= 1.25 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.63 K(o=1.6,f=-2.4) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0339) USER MOD Single : A 53 SER OG : rot 11:sc= 0.937 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0617 USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 1.13 (180deg=0.865) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 119:sc= 1.05 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.07) USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= 0.948 (180deg=-1.02!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.486 17.710 8.637 1.00 10.00 N ATOM 2 CA MET A 1 -0.398 16.412 9.322 1.00 10.00 C ATOM 3 C MET A 1 0.707 15.655 8.593 1.00 10.00 C ATOM 4 O MET A 1 1.630 16.332 8.143 1.00 10.00 O ATOM 5 CB MET A 1 -1.768 15.712 9.335 1.00 10.00 C ATOM 6 CG MET A 1 -1.926 14.729 10.505 1.00 10.00 C ATOM 7 SD MET A 1 -3.486 13.811 10.468 1.00 10.00 S ATOM 8 CE MET A 1 -3.343 12.871 12.004 1.00 10.00 C ATOM 0 H1 MET A 1 -0.682 18.457 9.333 1.00 10.00 H new ATOM 0 H2 MET A 1 0.415 17.911 8.158 1.00 10.00 H new ATOM 0 H3 MET A 1 -1.253 17.681 7.935 1.00 10.00 H new ATOM 0 HA MET A 1 -0.143 16.489 10.379 1.00 10.00 H new ATOM 0 HB2 MET A 1 -2.554 16.465 9.391 1.00 10.00 H new ATOM 0 HB3 MET A 1 -1.906 15.176 8.396 1.00 10.00 H new ATOM 0 HG2 MET A 1 -1.097 14.022 10.490 1.00 10.00 H new ATOM 0 HG3 MET A 1 -1.859 15.279 11.444 1.00 10.00 H new ATOM 0 HE1 MET A 1 -4.229 12.249 12.134 1.00 10.00 H new ATOM 0 HE2 MET A 1 -2.457 12.237 11.961 1.00 10.00 H new ATOM 0 HE3 MET A 1 -3.256 13.559 12.845 1.00 10.00 H new ATOM 20 N THR A 2 0.595 14.341 8.399 1.00 10.00 N ATOM 21 CA THR A 2 1.372 13.667 7.367 1.00 10.00 C ATOM 22 C THR A 2 0.847 14.106 5.996 1.00 10.00 C ATOM 23 O THR A 2 -0.159 14.814 5.890 1.00 10.00 O ATOM 24 CB THR A 2 1.348 12.139 7.584 1.00 10.00 C ATOM 25 OG1 THR A 2 1.990 11.404 6.562 1.00 10.00 O ATOM 26 CG2 THR A 2 -0.070 11.578 7.714 1.00 10.00 C ATOM 0 H THR A 2 -0.020 13.731 8.938 1.00 10.00 H new ATOM 0 HA THR A 2 2.423 13.951 7.421 1.00 10.00 H new ATOM 0 HB THR A 2 1.896 12.015 8.518 1.00 10.00 H new ATOM 0 HG1 THR A 2 2.879 11.782 6.396 1.00 10.00 H new ATOM 0 HG21 THR A 2 -0.022 10.500 7.865 1.00 10.00 H new ATOM 0 HG22 THR A 2 -0.568 12.042 8.565 1.00 10.00 H new ATOM 0 HG23 THR A 2 -0.631 11.793 6.804 1.00 10.00 H new ATOM 34 N GLU A 3 1.573 13.699 4.966 1.00 10.00 N ATOM 35 CA GLU A 3 1.301 13.856 3.567 1.00 10.00 C ATOM 36 C GLU A 3 0.429 12.676 3.126 1.00 10.00 C ATOM 37 O GLU A 3 -0.139 11.953 3.944 1.00 10.00 O ATOM 38 CB GLU A 3 2.663 13.929 2.841 1.00 10.00 C ATOM 39 CG GLU A 3 3.612 12.762 3.180 1.00 10.00 C ATOM 40 CD GLU A 3 4.472 13.038 4.415 1.00 10.00 C ATOM 41 OE1 GLU A 3 3.988 12.734 5.532 1.00 10.00 O ATOM 42 OE2 GLU A 3 5.578 13.588 4.234 1.00 10.00 O ATOM 0 H GLU A 3 2.451 13.203 5.117 1.00 10.00 H new ATOM 0 HA GLU A 3 0.752 14.767 3.328 1.00 10.00 H new ATOM 0 HB2 GLU A 3 2.490 13.944 1.765 1.00 10.00 H new ATOM 0 HB3 GLU A 3 3.151 14.869 3.098 1.00 10.00 H new ATOM 0 HG2 GLU A 3 3.025 11.859 3.346 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.261 12.568 2.326 1.00 10.00 H new ATOM 49 N LYS A 4 0.324 12.504 1.814 1.00 10.00 N ATOM 50 CA LYS A 4 -0.356 11.412 1.147 1.00 10.00 C ATOM 51 C LYS A 4 0.508 11.023 -0.049 1.00 10.00 C ATOM 52 O LYS A 4 0.918 11.895 -0.811 1.00 10.00 O ATOM 53 CB LYS A 4 -1.722 11.876 0.643 1.00 10.00 C ATOM 54 CG LYS A 4 -2.757 12.095 1.756 1.00 10.00 C ATOM 55 CD LYS A 4 -3.455 13.457 1.608 1.00 10.00 C ATOM 56 CE LYS A 4 -4.669 13.606 2.534 1.00 10.00 C ATOM 57 NZ LYS A 4 -5.656 12.531 2.320 1.00 10.00 N ATOM 0 H LYS A 4 0.736 13.163 1.154 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.504 10.575 1.829 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.597 12.807 0.089 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -2.109 11.137 -0.059 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -3.500 11.298 1.727 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -2.267 12.039 2.728 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -2.740 14.252 1.822 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.774 13.586 0.574 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -4.338 13.594 3.572 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -5.141 14.573 2.361 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -6.617 12.918 2.416 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -5.536 12.135 1.366 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -5.512 11.782 3.027 1.00 10.00 H new ATOM 71 N ALA A 5 0.749 9.726 -0.201 1.00 10.00 N ATOM 72 CA ALA A 5 1.452 9.100 -1.309 1.00 10.00 C ATOM 73 C ALA A 5 0.467 8.164 -1.998 1.00 10.00 C ATOM 74 O ALA A 5 -0.440 7.672 -1.328 1.00 10.00 O ATOM 75 CB ALA A 5 2.657 8.344 -0.758 1.00 10.00 C ATOM 0 H ALA A 5 0.439 9.043 0.490 1.00 10.00 H new ATOM 0 HA ALA A 5 1.818 9.831 -2.031 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.195 7.869 -1.578 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.320 9.041 -0.245 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.318 7.582 -0.056 1.00 10.00 H new ATOM 81 N GLU A 6 0.589 7.931 -3.309 1.00 10.00 N ATOM 82 CA GLU A 6 -0.410 7.205 -4.056 1.00 10.00 C ATOM 83 C GLU A 6 0.371 6.197 -4.865 1.00 10.00 C ATOM 84 O GLU A 6 1.366 6.557 -5.501 1.00 10.00 O ATOM 85 CB GLU A 6 -1.162 8.174 -4.962 1.00 10.00 C ATOM 86 CG GLU A 6 -2.401 7.574 -5.627 1.00 10.00 C ATOM 87 CD GLU A 6 -2.824 8.409 -6.833 1.00 10.00 C ATOM 88 OE1 GLU A 6 -2.570 9.631 -6.797 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.346 7.801 -7.792 1.00 10.00 O ATOM 0 H GLU A 6 1.383 8.244 -3.868 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.151 6.718 -3.422 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.462 9.043 -4.377 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.484 8.531 -5.737 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.192 6.552 -5.942 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.218 7.525 -4.908 1.00 10.00 H new ATOM 96 N PHE A 7 -0.067 4.947 -4.803 1.00 10.00 N ATOM 97 CA PHE A 7 0.562 3.817 -5.438 1.00 10.00 C ATOM 98 C PHE A 7 -0.495 3.019 -6.165 1.00 10.00 C ATOM 99 O PHE A 7 -1.638 2.948 -5.720 1.00 10.00 O ATOM 100 CB PHE A 7 1.225 2.927 -4.393 1.00 10.00 C ATOM 101 CG PHE A 7 1.957 3.620 -3.261 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.850 4.667 -3.537 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.815 3.165 -1.938 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.507 5.333 -2.496 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.543 3.776 -0.907 1.00 10.00 C ATOM 106 CZ PHE A 7 3.365 4.882 -1.174 1.00 10.00 C ATOM 0 H PHE A 7 -0.907 4.691 -4.284 1.00 10.00 H new ATOM 0 HA PHE A 7 1.321 4.172 -6.136 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.458 2.287 -3.958 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.933 2.274 -4.904 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.032 4.961 -4.560 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.146 2.346 -1.716 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.123 6.194 -2.710 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.471 3.393 0.100 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.884 5.382 -0.369 1.00 10.00 H new ATOM 116 N ASP A 8 -0.079 2.389 -7.251 1.00 10.00 N ATOM 117 CA ASP A 8 -0.912 1.611 -8.132 1.00 10.00 C ATOM 118 C ASP A 8 -0.525 0.174 -7.844 1.00 10.00 C ATOM 119 O ASP A 8 0.669 -0.106 -7.705 1.00 10.00 O ATOM 120 CB ASP A 8 -0.606 2.017 -9.578 1.00 10.00 C ATOM 121 CG ASP A 8 -1.747 2.757 -10.255 1.00 10.00 C ATOM 122 OD1 ASP A 8 -2.579 3.394 -9.564 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.739 2.820 -11.503 1.00 10.00 O ATOM 0 H ASP A 8 0.896 2.412 -7.550 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.982 1.759 -7.985 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.283 2.648 -9.589 1.00 10.00 H new ATOM 0 HB3 ASP A 8 -0.370 1.123 -10.156 1.00 10.00 H new ATOM 128 N ILE A 9 -1.518 -0.700 -7.692 1.00 10.00 N ATOM 129 CA ILE A 9 -1.308 -2.110 -7.433 1.00 10.00 C ATOM 130 C ILE A 9 -1.641 -2.873 -8.710 1.00 10.00 C ATOM 131 O ILE A 9 -2.507 -2.455 -9.472 1.00 10.00 O ATOM 132 CB ILE A 9 -2.128 -2.602 -6.224 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.082 -1.649 -5.019 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.540 -3.920 -5.723 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.259 -0.685 -5.045 1.00 10.00 C ATOM 0 H ILE A 9 -2.502 -0.438 -7.747 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.267 -2.288 -7.163 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.155 -2.685 -6.579 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.099 -2.225 -4.094 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.147 -1.089 -5.029 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.116 -4.273 -4.868 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.581 -4.663 -6.520 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.503 -3.765 -5.424 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.205 -0.021 -4.182 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.225 -0.094 -5.960 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.192 -1.248 -5.011 1.00 10.00 H new ATOM 147 N GLU A 10 -0.930 -3.974 -8.938 1.00 10.00 N ATOM 148 CA GLU A 10 -1.175 -4.907 -10.014 1.00 10.00 C ATOM 149 C GLU A 10 -1.391 -6.284 -9.391 1.00 10.00 C ATOM 150 O GLU A 10 -0.446 -6.918 -8.908 1.00 10.00 O ATOM 151 CB GLU A 10 0.013 -4.946 -10.975 1.00 10.00 C ATOM 152 CG GLU A 10 0.384 -3.561 -11.534 1.00 10.00 C ATOM 153 CD GLU A 10 1.676 -3.529 -12.341 1.00 10.00 C ATOM 154 OE1 GLU A 10 2.277 -4.593 -12.603 1.00 10.00 O ATOM 155 OE2 GLU A 10 2.109 -2.404 -12.673 1.00 10.00 O ATOM 0 H GLU A 10 -0.140 -4.243 -8.352 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.052 -4.600 -10.584 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.876 -5.366 -10.459 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.220 -5.615 -11.803 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -0.432 -3.208 -12.165 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.472 -2.860 -10.704 1.00 10.00 H new ATOM 162 N GLY A 11 -2.640 -6.728 -9.430 1.00 10.00 N ATOM 163 CA GLY A 11 -3.061 -8.106 -9.231 1.00 10.00 C ATOM 164 C GLY A 11 -4.106 -8.309 -8.132 1.00 10.00 C ATOM 165 O GLY A 11 -4.372 -9.459 -7.782 1.00 10.00 O ATOM 0 H GLY A 11 -3.426 -6.104 -9.611 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.464 -8.486 -10.170 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.184 -8.708 -8.993 1.00 10.00 H new ATOM 169 N MET A 12 -4.718 -7.254 -7.582 1.00 10.00 N ATOM 170 CA MET A 12 -5.748 -7.444 -6.564 1.00 10.00 C ATOM 171 C MET A 12 -7.105 -7.688 -7.225 1.00 10.00 C ATOM 172 O MET A 12 -7.956 -6.810 -7.331 1.00 10.00 O ATOM 173 CB MET A 12 -5.758 -6.297 -5.559 1.00 10.00 C ATOM 174 CG MET A 12 -5.830 -4.929 -6.236 1.00 10.00 C ATOM 175 SD MET A 12 -6.325 -3.575 -5.158 1.00 10.00 S ATOM 176 CE MET A 12 -5.041 -3.805 -3.928 1.00 10.00 C ATOM 0 H MET A 12 -4.522 -6.282 -7.820 1.00 10.00 H new ATOM 0 HA MET A 12 -5.515 -8.336 -5.983 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.610 -6.413 -4.888 1.00 10.00 H new ATOM 0 HB3 MET A 12 -4.859 -6.348 -4.945 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.853 -4.698 -6.660 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.533 -4.988 -7.067 1.00 10.00 H new ATOM 0 HE1 MET A 12 -5.086 -2.995 -3.200 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.190 -4.758 -3.421 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.066 -3.801 -4.415 1.00 10.00 H new ATOM 186 N THR A 13 -7.326 -8.923 -7.653 1.00 10.00 N ATOM 187 CA THR A 13 -8.570 -9.329 -8.272 1.00 10.00 C ATOM 188 C THR A 13 -9.704 -9.317 -7.245 1.00 10.00 C ATOM 189 O THR A 13 -10.861 -9.139 -7.623 1.00 10.00 O ATOM 190 CB THR A 13 -8.363 -10.715 -8.892 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.646 -11.524 -7.978 1.00 10.00 O ATOM 192 CG2 THR A 13 -7.541 -10.600 -10.180 1.00 10.00 C ATOM 0 H THR A 13 -6.639 -9.673 -7.578 1.00 10.00 H new ATOM 0 HA THR A 13 -8.857 -8.631 -9.058 1.00 10.00 H new ATOM 0 HB THR A 13 -9.336 -11.152 -9.117 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.510 -12.414 -8.365 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.400 -11.591 -10.612 1.00 10.00 H new ATOM 0 HG22 THR A 13 -8.068 -9.965 -10.893 1.00 10.00 H new ATOM 0 HG23 THR A 13 -6.569 -10.162 -9.953 1.00 10.00 H new ATOM 200 N CYS A 14 -9.380 -9.512 -5.960 1.00 10.00 N ATOM 201 CA CYS A 14 -10.344 -9.641 -4.884 1.00 10.00 C ATOM 202 C CYS A 14 -10.239 -8.486 -3.880 1.00 10.00 C ATOM 203 O CYS A 14 -9.156 -8.011 -3.544 1.00 10.00 O ATOM 204 CB CYS A 14 -10.162 -11.013 -4.222 1.00 10.00 C ATOM 205 SG CYS A 14 -8.469 -11.430 -3.720 1.00 10.00 S ATOM 0 H CYS A 14 -8.413 -9.585 -5.643 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.353 -9.579 -5.292 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -10.803 -11.058 -3.342 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.515 -11.778 -4.913 1.00 10.00 H new ATOM 210 N ALA A 15 -11.379 -8.049 -3.340 1.00 10.00 N ATOM 211 CA ALA A 15 -11.386 -7.061 -2.265 1.00 10.00 C ATOM 212 C ALA A 15 -10.604 -7.584 -1.054 1.00 10.00 C ATOM 213 O ALA A 15 -9.952 -6.824 -0.343 1.00 10.00 O ATOM 214 CB ALA A 15 -12.828 -6.714 -1.890 1.00 10.00 C ATOM 0 H ALA A 15 -12.305 -8.364 -3.630 1.00 10.00 H new ATOM 0 HA ALA A 15 -10.894 -6.151 -2.608 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.828 -5.976 -1.087 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.341 -6.304 -2.760 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.344 -7.614 -1.555 1.00 10.00 H new ATOM 220 N ALA A 16 -10.650 -8.901 -0.833 1.00 10.00 N ATOM 221 CA ALA A 16 -9.887 -9.578 0.204 1.00 10.00 C ATOM 222 C ALA A 16 -8.388 -9.281 0.086 1.00 10.00 C ATOM 223 O ALA A 16 -7.724 -9.054 1.100 1.00 10.00 O ATOM 224 CB ALA A 16 -10.156 -11.081 0.109 1.00 10.00 C ATOM 0 H ALA A 16 -11.231 -9.533 -1.384 1.00 10.00 H new ATOM 0 HA ALA A 16 -10.205 -9.208 1.179 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.590 -11.602 0.881 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.220 -11.270 0.250 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.850 -11.444 -0.872 1.00 10.00 H new ATOM 230 N CYS A 17 -7.864 -9.299 -1.141 1.00 10.00 N ATOM 231 CA CYS A 17 -6.483 -8.978 -1.461 1.00 10.00 C ATOM 232 C CYS A 17 -6.211 -7.527 -1.103 1.00 10.00 C ATOM 233 O CYS A 17 -5.222 -7.218 -0.439 1.00 10.00 O ATOM 234 CB CYS A 17 -6.262 -9.242 -2.953 1.00 10.00 C ATOM 235 SG CYS A 17 -6.557 -10.985 -3.360 1.00 10.00 S ATOM 0 H CYS A 17 -8.414 -9.547 -1.964 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.792 -9.598 -0.889 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.929 -8.611 -3.540 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.243 -8.969 -3.226 1.00 10.00 H new ATOM 240 N ALA A 18 -7.109 -6.638 -1.515 1.00 10.00 N ATOM 241 CA ALA A 18 -7.001 -5.230 -1.182 1.00 10.00 C ATOM 242 C ALA A 18 -6.944 -5.020 0.336 1.00 10.00 C ATOM 243 O ALA A 18 -6.038 -4.357 0.833 1.00 10.00 O ATOM 244 CB ALA A 18 -8.106 -4.464 -1.902 1.00 10.00 C ATOM 0 H ALA A 18 -7.923 -6.874 -2.083 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.057 -4.819 -1.539 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.033 -3.404 -1.658 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -7.998 -4.596 -2.979 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.078 -4.843 -1.585 1.00 10.00 H new ATOM 250 N ASN A 19 -7.846 -5.634 1.104 1.00 10.00 N ATOM 251 CA ASN A 19 -7.809 -5.536 2.564 1.00 10.00 C ATOM 252 C ASN A 19 -6.466 -5.991 3.149 1.00 10.00 C ATOM 253 O ASN A 19 -6.006 -5.432 4.148 1.00 10.00 O ATOM 254 CB ASN A 19 -8.962 -6.330 3.199 1.00 10.00 C ATOM 255 CG ASN A 19 -10.200 -5.475 3.454 1.00 10.00 C ATOM 256 OD1 ASN A 19 -11.275 -5.769 2.941 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.077 -4.432 4.273 1.00 10.00 N ATOM 0 H ASN A 19 -8.610 -6.203 0.740 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.929 -4.480 2.807 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.228 -7.161 2.545 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.624 -6.762 4.141 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.889 -3.854 4.488 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -9.170 -4.211 4.685 1.00 10.00 H new ATOM 264 N ARG A 20 -5.822 -7.006 2.561 1.00 10.00 N ATOM 265 CA ARG A 20 -4.522 -7.455 3.016 1.00 10.00 C ATOM 266 C ARG A 20 -3.496 -6.317 2.922 1.00 10.00 C ATOM 267 O ARG A 20 -2.629 -6.223 3.796 1.00 10.00 O ATOM 268 CB ARG A 20 -4.082 -8.675 2.194 1.00 10.00 C ATOM 269 CG ARG A 20 -4.175 -10.026 2.910 1.00 10.00 C ATOM 270 CD ARG A 20 -5.600 -10.575 2.823 1.00 10.00 C ATOM 271 NE ARG A 20 -5.681 -11.960 3.308 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.803 -12.697 3.272 1.00 10.00 C ATOM 273 NH1 ARG A 20 -7.941 -12.136 2.854 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.778 -13.981 3.654 1.00 10.00 N ATOM 0 H ARG A 20 -6.191 -7.527 1.766 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.588 -7.750 4.063 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.691 -8.720 1.291 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.051 -8.523 1.876 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.478 -10.733 2.460 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.885 -9.913 3.954 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -6.269 -9.945 3.409 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -5.944 -10.531 1.790 1.00 10.00 H new ATOM 0 HE ARG A 20 -4.838 -12.385 3.694 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -7.952 -11.157 2.566 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -8.799 -12.686 2.822 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.905 -14.401 3.973 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -7.632 -14.538 3.626 1.00 10.00 H new ATOM 288 N ILE A 21 -3.597 -5.460 1.892 1.00 10.00 N ATOM 289 CA ILE A 21 -2.730 -4.292 1.747 1.00 10.00 C ATOM 290 C ILE A 21 -2.802 -3.484 3.033 1.00 10.00 C ATOM 291 O ILE A 21 -1.785 -3.246 3.674 1.00 10.00 O ATOM 292 CB ILE A 21 -3.145 -3.374 0.574 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.260 -4.075 -0.779 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.219 -2.160 0.446 1.00 10.00 C ATOM 295 CD1 ILE A 21 -1.918 -4.367 -1.451 1.00 10.00 C ATOM 0 H ILE A 21 -4.281 -5.562 1.142 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.723 -4.653 1.540 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.150 -3.046 0.839 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.798 -5.013 -0.645 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.860 -3.456 -1.446 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.545 -1.540 -0.390 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.255 -1.576 1.366 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.198 -2.498 0.270 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.090 -4.865 -2.405 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.385 -3.432 -1.621 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.321 -5.013 -0.807 1.00 10.00 H new ATOM 307 N GLU A 22 -4.016 -3.070 3.404 1.00 10.00 N ATOM 308 CA GLU A 22 -4.228 -2.127 4.484 1.00 10.00 C ATOM 309 C GLU A 22 -3.619 -2.684 5.761 1.00 10.00 C ATOM 310 O GLU A 22 -2.892 -1.987 6.467 1.00 10.00 O ATOM 311 CB GLU A 22 -5.724 -1.847 4.654 1.00 10.00 C ATOM 312 CG GLU A 22 -6.370 -1.429 3.330 1.00 10.00 C ATOM 313 CD GLU A 22 -7.752 -0.832 3.547 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.495 -1.432 4.357 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.034 0.199 2.897 1.00 10.00 O ATOM 0 H GLU A 22 -4.877 -3.385 2.957 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.740 -1.181 4.251 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.221 -2.738 5.037 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.866 -1.060 5.394 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.733 -0.701 2.827 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.446 -2.295 2.672 1.00 10.00 H new ATOM 322 N LYS A 23 -3.894 -3.961 6.034 1.00 10.00 N ATOM 323 CA LYS A 23 -3.364 -4.635 7.200 1.00 10.00 C ATOM 324 C LYS A 23 -1.830 -4.643 7.187 1.00 10.00 C ATOM 325 O LYS A 23 -1.206 -4.268 8.179 1.00 10.00 O ATOM 326 CB LYS A 23 -3.967 -6.048 7.302 1.00 10.00 C ATOM 327 CG LYS A 23 -4.978 -6.149 8.461 1.00 10.00 C ATOM 328 CD LYS A 23 -4.976 -7.512 9.166 1.00 10.00 C ATOM 329 CE LYS A 23 -5.529 -8.647 8.297 1.00 10.00 C ATOM 330 NZ LYS A 23 -5.616 -9.914 9.057 1.00 10.00 N ATOM 0 H LYS A 23 -4.489 -4.547 5.449 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.654 -4.087 8.096 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.461 -6.303 6.364 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.169 -6.775 7.450 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.757 -5.372 9.192 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.978 -5.950 8.077 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.957 -7.757 9.465 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.568 -7.442 10.079 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -6.517 -8.375 7.926 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.888 -8.786 7.426 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -5.994 -10.663 8.442 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.669 -10.185 9.390 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -6.247 -9.786 9.874 1.00 10.00 H new ATOM 344 N ARG A 24 -1.207 -5.073 6.085 1.00 10.00 N ATOM 345 CA ARG A 24 0.252 -5.087 6.030 1.00 10.00 C ATOM 346 C ARG A 24 0.822 -3.681 6.190 1.00 10.00 C ATOM 347 O ARG A 24 1.746 -3.489 6.973 1.00 10.00 O ATOM 348 CB ARG A 24 0.775 -5.774 4.761 1.00 10.00 C ATOM 349 CG ARG A 24 1.188 -7.223 5.057 1.00 10.00 C ATOM 350 CD ARG A 24 -0.004 -8.090 5.477 1.00 10.00 C ATOM 351 NE ARG A 24 0.440 -9.451 5.813 1.00 10.00 N ATOM 352 CZ ARG A 24 -0.360 -10.524 5.906 1.00 10.00 C ATOM 353 NH1 ARG A 24 -1.675 -10.385 5.708 1.00 10.00 N ATOM 354 NH2 ARG A 24 0.152 -11.726 6.194 1.00 10.00 N ATOM 0 H ARG A 24 -1.677 -5.406 5.243 1.00 10.00 H new ATOM 0 HA ARG A 24 0.603 -5.683 6.873 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.004 -5.761 3.991 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.628 -5.221 4.368 1.00 10.00 H new ATOM 0 HG2 ARG A 24 1.655 -7.654 4.171 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.938 -7.231 5.848 1.00 10.00 H new ATOM 0 HD2 ARG A 24 -0.502 -7.641 6.336 1.00 10.00 H new ATOM 0 HD3 ARG A 24 -0.735 -8.129 4.669 1.00 10.00 H new ATOM 0 HE ARG A 24 1.435 -9.590 5.989 1.00 10.00 H new ATOM 0 HH11 ARG A 24 -2.063 -9.468 5.488 1.00 10.00 H new ATOM 0 HH12 ARG A 24 -2.290 -11.196 5.777 1.00 10.00 H new ATOM 0 HH21 ARG A 24 1.155 -11.830 6.344 1.00 10.00 H new ATOM 0 HH22 ARG A 24 -0.461 -12.538 6.263 1.00 10.00 H new ATOM 368 N LEU A 25 0.274 -2.693 5.483 1.00 10.00 N ATOM 369 CA LEU A 25 0.743 -1.322 5.624 1.00 10.00 C ATOM 370 C LEU A 25 0.625 -0.853 7.074 1.00 10.00 C ATOM 371 O LEU A 25 1.585 -0.326 7.625 1.00 10.00 O ATOM 372 CB LEU A 25 0.001 -0.394 4.663 1.00 10.00 C ATOM 373 CG LEU A 25 0.290 -0.720 3.188 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.546 0.221 2.327 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.761 -0.531 2.814 1.00 10.00 C ATOM 0 H LEU A 25 -0.487 -2.817 4.815 1.00 10.00 H new ATOM 0 HA LEU A 25 1.799 -1.289 5.358 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.071 -0.470 4.845 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.287 0.638 4.866 1.00 10.00 H new ATOM 0 HG LEU A 25 0.042 -1.768 3.023 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.360 0.012 1.274 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.603 0.072 2.546 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.273 1.253 2.545 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.903 -0.776 1.761 1.00 10.00 H new ATOM 0 HD22 LEU A 25 2.050 0.505 2.988 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.379 -1.188 3.426 1.00 10.00 H new ATOM 387 N ASN A 26 -0.523 -1.094 7.715 1.00 10.00 N ATOM 388 CA ASN A 26 -0.718 -0.797 9.131 1.00 10.00 C ATOM 389 C ASN A 26 0.361 -1.451 9.995 1.00 10.00 C ATOM 390 O ASN A 26 0.790 -0.872 10.988 1.00 10.00 O ATOM 391 CB ASN A 26 -2.103 -1.267 9.594 1.00 10.00 C ATOM 392 CG ASN A 26 -3.165 -0.184 9.447 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.547 0.455 10.420 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.665 0.025 8.234 1.00 10.00 N ATOM 0 H ASN A 26 -1.342 -1.501 7.263 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.645 0.284 9.250 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.398 -2.142 9.015 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.048 -1.578 10.637 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.386 0.733 8.095 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.328 -0.522 7.442 1.00 10.00 H new ATOM 401 N LYS A 27 0.789 -2.666 9.639 1.00 10.00 N ATOM 402 CA LYS A 27 1.850 -3.346 10.373 1.00 10.00 C ATOM 403 C LYS A 27 3.175 -2.575 10.278 1.00 10.00 C ATOM 404 O LYS A 27 4.015 -2.715 11.167 1.00 10.00 O ATOM 405 CB LYS A 27 1.960 -4.817 9.919 1.00 10.00 C ATOM 406 CG LYS A 27 2.772 -5.720 10.869 1.00 10.00 C ATOM 407 CD LYS A 27 4.303 -5.598 10.690 1.00 10.00 C ATOM 408 CE LYS A 27 5.047 -5.234 11.997 1.00 10.00 C ATOM 409 NZ LYS A 27 6.245 -4.381 11.773 1.00 10.00 N ATOM 0 H LYS A 27 0.416 -3.194 8.850 1.00 10.00 H new ATOM 0 HA LYS A 27 1.595 -3.365 11.433 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.956 -5.229 9.817 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.418 -4.846 8.931 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.515 -5.472 11.899 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.478 -6.757 10.708 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.693 -6.542 10.309 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.514 -4.839 9.937 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.360 -4.715 12.666 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.351 -6.151 12.501 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 6.836 -4.381 12.629 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.794 -4.756 10.973 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 5.944 -3.409 11.560 1.00 10.00 H new ATOM 423 N ILE A 28 3.402 -1.786 9.222 1.00 10.00 N ATOM 424 CA ILE A 28 4.637 -1.023 9.117 1.00 10.00 C ATOM 425 C ILE A 28 4.587 0.161 10.086 1.00 10.00 C ATOM 426 O ILE A 28 3.687 1.001 10.064 1.00 10.00 O ATOM 427 CB ILE A 28 4.936 -0.530 7.698 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.840 -1.640 6.640 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.336 0.105 7.644 1.00 10.00 C ATOM 430 CD1 ILE A 28 4.743 -1.060 5.235 1.00 10.00 C ATOM 0 H ILE A 28 2.755 -1.664 8.443 1.00 10.00 H new ATOM 0 HA ILE A 28 5.450 -1.700 9.379 1.00 10.00 H new ATOM 0 HB ILE A 28 4.172 0.210 7.460 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.714 -2.287 6.709 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.967 -2.261 6.840 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.539 0.452 6.631 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.380 0.949 8.333 1.00 10.00 H new ATOM 0 HG23 ILE A 28 7.083 -0.636 7.930 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.677 -1.871 4.510 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.854 -0.433 5.161 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.629 -0.460 5.027 1.00 10.00 H new ATOM 442 N GLU A 29 5.618 0.226 10.908 1.00 10.00 N ATOM 443 CA GLU A 29 5.898 1.276 11.862 1.00 10.00 C ATOM 444 C GLU A 29 6.034 2.627 11.134 1.00 10.00 C ATOM 445 O GLU A 29 6.858 2.771 10.233 1.00 10.00 O ATOM 446 CB GLU A 29 7.137 0.888 12.704 1.00 10.00 C ATOM 447 CG GLU A 29 8.145 -0.090 12.052 1.00 10.00 C ATOM 448 CD GLU A 29 7.738 -1.569 12.130 1.00 10.00 C ATOM 449 OE1 GLU A 29 8.088 -2.264 13.106 1.00 10.00 O ATOM 450 OE2 GLU A 29 7.037 -2.025 11.197 1.00 10.00 O ATOM 0 H GLU A 29 6.329 -0.505 10.926 1.00 10.00 H new ATOM 0 HA GLU A 29 5.071 1.395 12.562 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.670 1.802 12.965 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.789 0.445 13.637 1.00 10.00 H new ATOM 0 HG2 GLU A 29 8.272 0.184 11.005 1.00 10.00 H new ATOM 0 HG3 GLU A 29 9.115 0.033 12.534 1.00 10.00 H new ATOM 457 N GLY A 30 5.208 3.611 11.512 1.00 10.00 N ATOM 458 CA GLY A 30 5.275 4.982 11.011 1.00 10.00 C ATOM 459 C GLY A 30 4.233 5.308 9.937 1.00 10.00 C ATOM 460 O GLY A 30 4.177 6.444 9.452 1.00 10.00 O ATOM 0 H GLY A 30 4.459 3.469 12.190 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.146 5.669 11.847 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.270 5.160 10.602 1.00 10.00 H new ATOM 464 N VAL A 31 3.385 4.338 9.578 1.00 10.00 N ATOM 465 CA VAL A 31 2.254 4.567 8.691 1.00 10.00 C ATOM 466 C VAL A 31 1.087 5.113 9.515 1.00 10.00 C ATOM 467 O VAL A 31 0.815 4.610 10.603 1.00 10.00 O ATOM 468 CB VAL A 31 1.898 3.266 7.951 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.670 3.449 7.048 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.084 2.813 7.089 1.00 10.00 C ATOM 0 H VAL A 31 3.469 3.373 9.898 1.00 10.00 H new ATOM 0 HA VAL A 31 2.502 5.305 7.928 1.00 10.00 H new ATOM 0 HB VAL A 31 1.668 2.512 8.704 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.448 2.510 6.541 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.186 3.746 7.654 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.875 4.221 6.307 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.824 1.891 6.568 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.320 3.588 6.360 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.951 2.638 7.726 1.00 10.00 H new ATOM 480 N ALA A 32 0.409 6.147 9.005 1.00 10.00 N ATOM 481 CA ALA A 32 -0.755 6.739 9.646 1.00 10.00 C ATOM 482 C ALA A 32 -2.030 6.086 9.116 1.00 10.00 C ATOM 483 O ALA A 32 -2.828 5.590 9.904 1.00 10.00 O ATOM 484 CB ALA A 32 -0.780 8.253 9.421 1.00 10.00 C ATOM 0 H ALA A 32 0.662 6.597 8.125 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.696 6.561 10.720 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.658 8.679 9.908 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.121 8.698 9.843 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.821 8.461 8.352 1.00 10.00 H new ATOM 490 N ASN A 33 -2.233 6.091 7.792 1.00 10.00 N ATOM 491 CA ASN A 33 -3.424 5.523 7.167 1.00 10.00 C ATOM 492 C ASN A 33 -3.025 4.930 5.824 1.00 10.00 C ATOM 493 O ASN A 33 -1.941 5.215 5.316 1.00 10.00 O ATOM 494 CB ASN A 33 -4.525 6.575 6.938 1.00 10.00 C ATOM 495 CG ASN A 33 -5.003 7.278 8.203 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.528 6.643 9.112 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.876 8.598 8.258 1.00 10.00 N ATOM 0 H ASN A 33 -1.571 6.491 7.127 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.828 4.764 7.838 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -4.153 7.325 6.240 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.378 6.091 6.462 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.219 9.110 9.071 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.435 9.100 7.488 1.00 10.00 H new ATOM 504 N ALA A 34 -3.912 4.126 5.238 1.00 10.00 N ATOM 505 CA ALA A 34 -3.693 3.503 3.942 1.00 10.00 C ATOM 506 C ALA A 34 -4.983 2.997 3.282 1.00 10.00 C ATOM 507 O ALA A 34 -5.049 1.818 2.943 1.00 10.00 O ATOM 508 CB ALA A 34 -2.668 2.376 4.089 1.00 10.00 C ATOM 0 H ALA A 34 -4.811 3.889 5.658 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.306 4.271 3.272 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.502 1.907 3.119 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.728 2.785 4.460 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -3.043 1.632 4.792 1.00 10.00 H new ATOM 514 N PRO A 35 -6.003 3.847 3.080 1.00 10.00 N ATOM 515 CA PRO A 35 -7.237 3.439 2.423 1.00 10.00 C ATOM 516 C PRO A 35 -6.980 2.964 0.985 1.00 10.00 C ATOM 517 O PRO A 35 -6.471 3.723 0.152 1.00 10.00 O ATOM 518 CB PRO A 35 -8.158 4.662 2.479 1.00 10.00 C ATOM 519 CG PRO A 35 -7.190 5.840 2.600 1.00 10.00 C ATOM 520 CD PRO A 35 -6.058 5.256 3.442 1.00 10.00 C ATOM 0 HA PRO A 35 -7.696 2.585 2.921 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.774 4.741 1.583 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.837 4.613 3.330 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -6.838 6.177 1.625 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -7.655 6.698 3.085 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.112 5.754 3.230 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.254 5.382 4.507 1.00 10.00 H new ATOM 528 N VAL A 36 -7.344 1.712 0.685 1.00 10.00 N ATOM 529 CA VAL A 36 -7.241 1.146 -0.654 1.00 10.00 C ATOM 530 C VAL A 36 -8.466 1.499 -1.512 1.00 10.00 C ATOM 531 O VAL A 36 -9.608 1.290 -1.105 1.00 10.00 O ATOM 532 CB VAL A 36 -6.978 -0.361 -0.542 1.00 10.00 C ATOM 533 CG1 VAL A 36 -8.206 -1.161 -0.096 1.00 10.00 C ATOM 534 CG2 VAL A 36 -6.467 -0.932 -1.864 1.00 10.00 C ATOM 0 H VAL A 36 -7.721 1.062 1.375 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.395 1.589 -1.180 1.00 10.00 H new ATOM 0 HB VAL A 36 -6.216 -0.464 0.230 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -7.950 -2.219 -0.038 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -8.531 -0.812 0.884 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -9.012 -1.022 -0.817 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -6.290 -2.002 -1.754 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -7.210 -0.766 -2.644 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.536 -0.436 -2.139 1.00 10.00 H new ATOM 544 N ASN A 37 -8.240 2.029 -2.717 1.00 10.00 N ATOM 545 CA ASN A 37 -9.293 2.439 -3.637 1.00 10.00 C ATOM 546 C ASN A 37 -9.553 1.302 -4.631 1.00 10.00 C ATOM 547 O ASN A 37 -9.024 1.283 -5.751 1.00 10.00 O ATOM 548 CB ASN A 37 -8.903 3.766 -4.299 1.00 10.00 C ATOM 549 CG ASN A 37 -9.995 4.278 -5.229 1.00 10.00 C ATOM 550 OD1 ASN A 37 -10.750 5.185 -4.898 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.076 3.689 -6.413 1.00 10.00 N ATOM 0 H ASN A 37 -7.301 2.186 -3.083 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.232 2.623 -3.115 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -8.703 4.511 -3.529 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.979 3.633 -4.862 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.784 3.988 -7.084 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.430 2.937 -6.654 1.00 10.00 H new ATOM 558 N PHE A 38 -10.382 0.345 -4.204 1.00 10.00 N ATOM 559 CA PHE A 38 -10.730 -0.845 -4.973 1.00 10.00 C ATOM 560 C PHE A 38 -11.674 -0.505 -6.132 1.00 10.00 C ATOM 561 O PHE A 38 -12.863 -0.817 -6.104 1.00 10.00 O ATOM 562 CB PHE A 38 -11.322 -1.914 -4.049 1.00 10.00 C ATOM 563 CG PHE A 38 -11.327 -3.304 -4.657 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.114 -4.005 -4.766 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.505 -3.864 -5.187 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.084 -5.282 -5.348 1.00 10.00 C ATOM 567 CE2 PHE A 38 -12.468 -5.126 -5.807 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.256 -5.836 -5.886 1.00 10.00 C ATOM 0 H PHE A 38 -10.838 0.381 -3.292 1.00 10.00 H new ATOM 0 HA PHE A 38 -9.821 -1.249 -5.418 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -10.753 -1.935 -3.119 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.344 -1.635 -3.791 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.201 -3.559 -4.400 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.438 -3.324 -5.117 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.159 -5.838 -5.382 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.370 -5.550 -6.222 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.227 -6.806 -6.360 1.00 10.00 H new ATOM 578 N ALA A 39 -11.123 0.146 -7.154 1.00 10.00 N ATOM 579 CA ALA A 39 -11.787 0.433 -8.421 1.00 10.00 C ATOM 580 C ALA A 39 -10.729 0.722 -9.485 1.00 10.00 C ATOM 581 O ALA A 39 -10.694 0.088 -10.533 1.00 10.00 O ATOM 582 CB ALA A 39 -12.754 1.613 -8.259 1.00 10.00 C ATOM 0 H ALA A 39 -10.167 0.500 -7.120 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.373 -0.430 -8.736 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.243 1.816 -9.212 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.507 1.366 -7.510 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.200 2.496 -7.939 1.00 10.00 H new ATOM 588 N LEU A 40 -9.851 1.682 -9.186 1.00 10.00 N ATOM 589 CA LEU A 40 -8.732 2.072 -10.038 1.00 10.00 C ATOM 590 C LEU A 40 -7.587 1.062 -9.914 1.00 10.00 C ATOM 591 O LEU A 40 -6.771 0.942 -10.822 1.00 10.00 O ATOM 592 CB LEU A 40 -8.233 3.469 -9.631 1.00 10.00 C ATOM 593 CG LEU A 40 -9.253 4.581 -9.645 1.00 10.00 C ATOM 594 CD1 LEU A 40 -8.797 5.799 -8.834 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.589 4.989 -11.074 1.00 10.00 C ATOM 0 H LEU A 40 -9.902 2.222 -8.322 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.072 2.092 -11.073 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.815 3.402 -8.626 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.417 3.747 -10.298 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.152 4.192 -9.168 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.565 6.572 -8.875 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.633 5.505 -7.797 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -7.869 6.188 -9.252 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.326 5.792 -11.059 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.685 5.335 -11.576 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -9.996 4.132 -11.611 1.00 10.00 H new ATOM 607 N GLU A 41 -7.538 0.367 -8.771 1.00 10.00 N ATOM 608 CA GLU A 41 -6.465 -0.529 -8.357 1.00 10.00 C ATOM 609 C GLU A 41 -5.295 0.324 -7.859 1.00 10.00 C ATOM 610 O GLU A 41 -4.146 0.170 -8.264 1.00 10.00 O ATOM 611 CB GLU A 41 -6.099 -1.573 -9.436 1.00 10.00 C ATOM 612 CG GLU A 41 -5.786 -2.915 -8.756 1.00 10.00 C ATOM 613 CD GLU A 41 -5.269 -4.024 -9.677 1.00 10.00 C ATOM 614 OE1 GLU A 41 -5.568 -3.958 -10.887 1.00 10.00 O ATOM 615 OE2 GLU A 41 -4.623 -4.962 -9.143 1.00 10.00 O ATOM 0 H GLU A 41 -8.286 0.421 -8.079 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.799 -1.154 -7.529 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.924 -1.692 -10.139 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.237 -1.233 -10.010 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.045 -2.741 -7.976 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.691 -3.271 -8.263 1.00 10.00 H new ATOM 622 N THR A 42 -5.626 1.242 -6.949 1.00 10.00 N ATOM 623 CA THR A 42 -4.727 2.242 -6.398 1.00 10.00 C ATOM 624 C THR A 42 -4.928 2.272 -4.879 1.00 10.00 C ATOM 625 O THR A 42 -6.058 2.127 -4.415 1.00 10.00 O ATOM 626 CB THR A 42 -5.029 3.595 -7.060 1.00 10.00 C ATOM 627 OG1 THR A 42 -5.009 3.464 -8.472 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.037 4.689 -6.662 1.00 10.00 C ATOM 0 H THR A 42 -6.568 1.307 -6.564 1.00 10.00 H new ATOM 0 HA THR A 42 -3.681 2.008 -6.598 1.00 10.00 H new ATOM 0 HB THR A 42 -6.018 3.892 -6.710 1.00 10.00 H new ATOM 0 HG1 THR A 42 -4.090 3.304 -8.773 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.303 5.621 -7.162 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.069 4.834 -5.582 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.031 4.393 -6.958 1.00 10.00 H new ATOM 636 N VAL A 43 -3.857 2.443 -4.101 1.00 10.00 N ATOM 637 CA VAL A 43 -3.913 2.721 -2.670 1.00 10.00 C ATOM 638 C VAL A 43 -3.346 4.117 -2.428 1.00 10.00 C ATOM 639 O VAL A 43 -2.354 4.493 -3.057 1.00 10.00 O ATOM 640 CB VAL A 43 -3.173 1.636 -1.859 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.696 1.498 -2.249 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.280 1.884 -0.349 1.00 10.00 C ATOM 0 H VAL A 43 -2.904 2.390 -4.461 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.947 2.696 -2.325 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.673 0.700 -2.106 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.231 0.720 -1.644 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.621 1.231 -3.303 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.184 2.445 -2.078 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.747 1.099 0.187 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.841 2.852 -0.107 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.329 1.877 -0.053 1.00 10.00 H new ATOM 652 N THR A 44 -3.973 4.868 -1.516 1.00 10.00 N ATOM 653 CA THR A 44 -3.429 6.129 -1.026 1.00 10.00 C ATOM 654 C THR A 44 -2.892 5.858 0.375 1.00 10.00 C ATOM 655 O THR A 44 -3.664 5.448 1.237 1.00 10.00 O ATOM 656 CB THR A 44 -4.518 7.209 -1.015 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.127 7.270 -2.288 1.00 10.00 O ATOM 658 CG2 THR A 44 -3.942 8.591 -0.687 1.00 10.00 C ATOM 0 H THR A 44 -4.870 4.615 -1.101 1.00 10.00 H new ATOM 0 HA THR A 44 -2.631 6.498 -1.670 1.00 10.00 H new ATOM 0 HB THR A 44 -5.243 6.942 -0.246 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.825 7.958 -2.284 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.744 9.329 -0.689 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.474 8.566 0.297 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.198 8.862 -1.436 1.00 10.00 H new ATOM 666 N VAL A 45 -1.589 6.036 0.595 1.00 10.00 N ATOM 667 CA VAL A 45 -0.937 5.789 1.871 1.00 10.00 C ATOM 668 C VAL A 45 -0.536 7.115 2.493 1.00 10.00 C ATOM 669 O VAL A 45 0.145 7.922 1.861 1.00 10.00 O ATOM 670 CB VAL A 45 0.262 4.848 1.704 1.00 10.00 C ATOM 671 CG1 VAL A 45 0.870 4.482 3.067 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.215 3.557 1.034 1.00 10.00 C ATOM 0 H VAL A 45 -0.948 6.363 -0.128 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.634 5.288 2.543 1.00 10.00 H new ATOM 0 HB VAL A 45 1.016 5.354 1.101 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.718 3.814 2.919 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.205 5.388 3.571 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.118 3.984 3.679 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.629 2.879 0.909 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.973 3.082 1.657 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.641 3.790 0.058 1.00 10.00 H new ATOM 682 N GLU A 46 -0.953 7.318 3.739 1.00 10.00 N ATOM 683 CA GLU A 46 -0.568 8.445 4.553 1.00 10.00 C ATOM 684 C GLU A 46 0.481 7.922 5.535 1.00 10.00 C ATOM 685 O GLU A 46 0.138 7.174 6.453 1.00 10.00 O ATOM 686 CB GLU A 46 -1.827 8.980 5.241 1.00 10.00 C ATOM 687 CG GLU A 46 -2.952 9.216 4.219 1.00 10.00 C ATOM 688 CD GLU A 46 -4.097 10.038 4.787 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.305 9.958 6.017 1.00 10.00 O ATOM 690 OE2 GLU A 46 -4.757 10.728 3.975 1.00 10.00 O ATOM 0 H GLU A 46 -1.587 6.678 4.216 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.137 9.272 3.989 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.161 8.271 5.999 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.597 9.913 5.756 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -2.543 9.724 3.346 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -3.335 8.254 3.878 1.00 10.00 H new ATOM 697 N TYR A 47 1.755 8.254 5.317 1.00 10.00 N ATOM 698 CA TYR A 47 2.852 7.853 6.183 1.00 10.00 C ATOM 699 C TYR A 47 3.909 8.934 6.185 1.00 10.00 C ATOM 700 O TYR A 47 3.998 9.726 5.251 1.00 10.00 O ATOM 701 CB TYR A 47 3.499 6.540 5.734 1.00 10.00 C ATOM 702 CG TYR A 47 4.403 6.640 4.513 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.866 6.820 3.224 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.797 6.723 4.698 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.718 7.044 2.128 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.641 6.992 3.611 1.00 10.00 C ATOM 707 CZ TYR A 47 6.106 7.140 2.322 1.00 10.00 C ATOM 708 OH TYR A 47 6.937 7.371 1.267 1.00 10.00 O ATOM 0 H TYR A 47 2.052 8.818 4.520 1.00 10.00 H new ATOM 0 HA TYR A 47 2.439 7.703 7.181 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.081 6.139 6.564 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.709 5.820 5.522 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.797 6.786 3.077 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.218 6.579 5.682 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.304 7.142 1.135 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.706 7.086 3.766 1.00 10.00 H new ATOM 0 HH TYR A 47 7.864 7.409 1.583 1.00 10.00 H new ATOM 718 N ASN A 48 4.738 8.897 7.222 1.00 10.00 N ATOM 719 CA ASN A 48 5.778 9.877 7.445 1.00 10.00 C ATOM 720 C ASN A 48 7.116 9.365 6.891 1.00 10.00 C ATOM 721 O ASN A 48 7.577 8.301 7.310 1.00 10.00 O ATOM 722 CB ASN A 48 5.828 10.225 8.938 1.00 10.00 C ATOM 723 CG ASN A 48 6.698 9.316 9.803 1.00 10.00 C ATOM 724 OD1 ASN A 48 7.853 9.642 10.054 1.00 10.00 O ATOM 725 ND2 ASN A 48 6.155 8.212 10.301 1.00 10.00 N ATOM 0 H ASN A 48 4.700 8.172 7.938 1.00 10.00 H new ATOM 0 HA ASN A 48 5.561 10.799 6.906 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.189 11.248 9.041 1.00 10.00 H new ATOM 0 HB3 ASN A 48 4.811 10.205 9.331 1.00 10.00 H new ATOM 0 HD21 ASN A 48 6.702 7.606 10.913 1.00 10.00 H new ATOM 0 HD22 ASN A 48 5.191 7.970 10.072 1.00 10.00 H new ATOM 732 N PRO A 49 7.767 10.083 5.959 1.00 10.00 N ATOM 733 CA PRO A 49 9.047 9.683 5.385 1.00 10.00 C ATOM 734 C PRO A 49 10.189 9.998 6.360 1.00 10.00 C ATOM 735 O PRO A 49 11.116 10.745 6.048 1.00 10.00 O ATOM 736 CB PRO A 49 9.143 10.457 4.065 1.00 10.00 C ATOM 737 CG PRO A 49 8.399 11.753 4.381 1.00 10.00 C ATOM 738 CD PRO A 49 7.273 11.282 5.304 1.00 10.00 C ATOM 0 HA PRO A 49 9.124 8.611 5.202 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.178 10.644 3.779 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.678 9.914 3.242 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.045 12.481 4.871 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.011 12.227 3.479 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.021 12.050 6.035 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.366 11.071 4.737 1.00 10.00 H new ATOM 746 N LYS A 50 10.109 9.421 7.558 1.00 10.00 N ATOM 747 CA LYS A 50 11.116 9.504 8.604 1.00 10.00 C ATOM 748 C LYS A 50 11.340 8.137 9.264 1.00 10.00 C ATOM 749 O LYS A 50 12.359 7.960 9.929 1.00 10.00 O ATOM 750 CB LYS A 50 10.701 10.573 9.632 1.00 10.00 C ATOM 751 CG LYS A 50 11.820 11.559 9.984 1.00 10.00 C ATOM 752 CD LYS A 50 12.220 12.410 8.766 1.00 10.00 C ATOM 753 CE LYS A 50 12.817 13.764 9.169 1.00 10.00 C ATOM 754 NZ LYS A 50 13.993 13.619 10.052 1.00 10.00 N ATOM 0 H LYS A 50 9.304 8.859 7.834 1.00 10.00 H new ATOM 0 HA LYS A 50 12.068 9.800 8.163 1.00 10.00 H new ATOM 0 HB2 LYS A 50 9.849 11.129 9.240 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.366 10.077 10.543 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.492 12.211 10.794 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.689 11.011 10.348 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.945 11.861 8.165 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.344 12.575 8.138 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.104 14.313 8.272 1.00 10.00 H new ATOM 0 HE3 LYS A 50 12.056 14.357 9.676 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.432 14.550 10.201 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.694 13.227 10.967 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 14.682 12.978 9.610 1.00 10.00 H new ATOM 768 N GLU A 51 10.410 7.190 9.078 1.00 10.00 N ATOM 769 CA GLU A 51 10.466 5.848 9.634 1.00 10.00 C ATOM 770 C GLU A 51 10.332 4.837 8.495 1.00 10.00 C ATOM 771 O GLU A 51 11.293 4.154 8.150 1.00 10.00 O ATOM 772 CB GLU A 51 9.343 5.690 10.667 1.00 10.00 C ATOM 773 CG GLU A 51 9.513 6.646 11.852 1.00 10.00 C ATOM 774 CD GLU A 51 8.343 6.513 12.811 1.00 10.00 C ATOM 775 OE1 GLU A 51 7.247 6.958 12.407 1.00 10.00 O ATOM 776 OE2 GLU A 51 8.555 5.956 13.909 1.00 10.00 O ATOM 0 H GLU A 51 9.574 7.351 8.516 1.00 10.00 H new ATOM 0 HA GLU A 51 11.417 5.672 10.137 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.381 5.874 10.188 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.327 4.662 11.030 1.00 10.00 H new ATOM 0 HG2 GLU A 51 10.445 6.428 12.373 1.00 10.00 H new ATOM 0 HG3 GLU A 51 9.582 7.673 11.492 1.00 10.00 H new ATOM 783 N ALA A 52 9.140 4.754 7.895 1.00 10.00 N ATOM 784 CA ALA A 52 8.882 3.933 6.731 1.00 10.00 C ATOM 785 C ALA A 52 9.324 4.694 5.482 1.00 10.00 C ATOM 786 O ALA A 52 9.677 5.874 5.534 1.00 10.00 O ATOM 787 CB ALA A 52 7.387 3.603 6.674 1.00 10.00 C ATOM 0 H ALA A 52 8.320 5.268 8.218 1.00 10.00 H new ATOM 0 HA ALA A 52 9.441 2.999 6.787 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.184 2.985 5.800 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.099 3.062 7.576 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.813 4.527 6.606 1.00 10.00 H new ATOM 793 N SER A 53 9.281 4.013 4.341 1.00 10.00 N ATOM 794 CA SER A 53 9.445 4.595 3.019 1.00 10.00 C ATOM 795 C SER A 53 8.728 3.717 1.999 1.00 10.00 C ATOM 796 O SER A 53 8.332 2.585 2.288 1.00 10.00 O ATOM 797 CB SER A 53 10.921 4.802 2.664 1.00 10.00 C ATOM 798 OG SER A 53 11.495 5.819 3.461 1.00 10.00 O ATOM 0 H SER A 53 9.125 3.005 4.314 1.00 10.00 H new ATOM 0 HA SER A 53 8.996 5.588 3.009 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.468 3.870 2.808 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.012 5.066 1.610 1.00 10.00 H new ATOM 0 HG SER A 53 10.882 6.048 4.190 1.00 10.00 H new ATOM 804 N VAL A 54 8.550 4.287 0.808 1.00 10.00 N ATOM 805 CA VAL A 54 7.777 3.704 -0.275 1.00 10.00 C ATOM 806 C VAL A 54 8.385 2.366 -0.711 1.00 10.00 C ATOM 807 O VAL A 54 7.667 1.389 -0.899 1.00 10.00 O ATOM 808 CB VAL A 54 7.588 4.737 -1.402 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.901 5.219 -2.034 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.646 4.217 -2.493 1.00 10.00 C ATOM 0 H VAL A 54 8.953 5.193 0.568 1.00 10.00 H new ATOM 0 HA VAL A 54 6.771 3.455 0.063 1.00 10.00 H new ATOM 0 HB VAL A 54 7.137 5.601 -0.915 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.683 5.944 -2.818 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.522 5.687 -1.270 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.432 4.369 -2.463 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.537 4.973 -3.271 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.060 3.307 -2.927 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.670 4.001 -2.058 1.00 10.00 H new ATOM 820 N SER A 55 9.711 2.303 -0.829 1.00 10.00 N ATOM 821 CA SER A 55 10.459 1.099 -1.157 1.00 10.00 C ATOM 822 C SER A 55 10.138 -0.064 -0.207 1.00 10.00 C ATOM 823 O SER A 55 9.959 -1.203 -0.631 1.00 10.00 O ATOM 824 CB SER A 55 11.947 1.455 -1.105 1.00 10.00 C ATOM 825 OG SER A 55 12.139 2.692 -1.771 1.00 10.00 O ATOM 0 H SER A 55 10.310 3.118 -0.694 1.00 10.00 H new ATOM 0 HA SER A 55 10.177 0.756 -2.152 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.283 1.526 -0.071 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.540 0.673 -1.580 1.00 10.00 H new ATOM 0 HG SER A 55 13.088 2.934 -1.744 1.00 10.00 H new ATOM 831 N ASP A 56 10.094 0.215 1.093 1.00 10.00 N ATOM 832 CA ASP A 56 10.018 -0.794 2.133 1.00 10.00 C ATOM 833 C ASP A 56 8.619 -1.395 2.109 1.00 10.00 C ATOM 834 O ASP A 56 8.432 -2.602 1.943 1.00 10.00 O ATOM 835 CB ASP A 56 10.356 -0.136 3.480 1.00 10.00 C ATOM 836 CG ASP A 56 11.690 0.596 3.425 1.00 10.00 C ATOM 837 OD1 ASP A 56 11.756 1.559 2.626 1.00 10.00 O ATOM 838 OD2 ASP A 56 12.608 0.184 4.158 1.00 10.00 O ATOM 0 H ASP A 56 10.111 1.169 1.455 1.00 10.00 H new ATOM 0 HA ASP A 56 10.733 -1.601 1.974 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.566 0.565 3.752 1.00 10.00 H new ATOM 0 HB3 ASP A 56 10.389 -0.897 4.260 1.00 10.00 H new ATOM 843 N LEU A 57 7.613 -0.521 2.212 1.00 10.00 N ATOM 844 CA LEU A 57 6.229 -0.915 2.043 1.00 10.00 C ATOM 845 C LEU A 57 6.010 -1.610 0.698 1.00 10.00 C ATOM 846 O LEU A 57 5.213 -2.547 0.627 1.00 10.00 O ATOM 847 CB LEU A 57 5.293 0.265 2.340 1.00 10.00 C ATOM 848 CG LEU A 57 5.241 1.402 1.318 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.340 1.115 0.110 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.731 2.673 2.008 1.00 10.00 C ATOM 0 H LEU A 57 7.743 0.470 2.414 1.00 10.00 H new ATOM 0 HA LEU A 57 5.967 -1.674 2.780 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.283 -0.128 2.457 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.583 0.690 3.301 1.00 10.00 H new ATOM 0 HG LEU A 57 6.256 1.518 0.939 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.357 1.969 -0.568 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.703 0.230 -0.412 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.319 0.942 0.450 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.691 3.488 1.286 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.733 2.494 2.409 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.406 2.941 2.821 1.00 10.00 H new ATOM 862 N LYS A 58 6.741 -1.206 -0.354 1.00 10.00 N ATOM 863 CA LYS A 58 6.740 -1.937 -1.614 1.00 10.00 C ATOM 864 C LYS A 58 6.969 -3.417 -1.323 1.00 10.00 C ATOM 865 O LYS A 58 6.125 -4.233 -1.676 1.00 10.00 O ATOM 866 CB LYS A 58 7.809 -1.420 -2.598 1.00 10.00 C ATOM 867 CG LYS A 58 7.407 -1.484 -4.070 1.00 10.00 C ATOM 868 CD LYS A 58 6.846 -2.856 -4.464 1.00 10.00 C ATOM 869 CE LYS A 58 7.216 -3.258 -5.898 1.00 10.00 C ATOM 870 NZ LYS A 58 8.411 -4.121 -5.928 1.00 10.00 N ATOM 0 H LYS A 58 7.336 -0.378 -0.349 1.00 10.00 H new ATOM 0 HA LYS A 58 5.773 -1.785 -2.093 1.00 10.00 H new ATOM 0 HB2 LYS A 58 8.046 -0.387 -2.345 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.721 -2.000 -2.459 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.660 -0.717 -4.273 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.274 -1.257 -4.691 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.221 -3.610 -3.772 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.761 -2.843 -4.363 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.377 -3.781 -6.358 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.398 -2.362 -6.492 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.702 -4.276 -6.914 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.185 -3.661 -5.407 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 8.190 -5.035 -5.484 1.00 10.00 H new ATOM 884 N GLU A 59 8.102 -3.763 -0.704 1.00 10.00 N ATOM 885 CA GLU A 59 8.470 -5.151 -0.466 1.00 10.00 C ATOM 886 C GLU A 59 7.369 -5.858 0.324 1.00 10.00 C ATOM 887 O GLU A 59 7.026 -6.997 0.041 1.00 10.00 O ATOM 888 CB GLU A 59 9.815 -5.228 0.270 1.00 10.00 C ATOM 889 CG GLU A 59 10.378 -6.653 0.197 1.00 10.00 C ATOM 890 CD GLU A 59 11.581 -6.830 1.109 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.689 -6.472 0.657 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.362 -7.318 2.239 1.00 10.00 O ATOM 0 H GLU A 59 8.783 -3.088 -0.357 1.00 10.00 H new ATOM 0 HA GLU A 59 8.582 -5.658 -1.424 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.522 -4.527 -0.174 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.685 -4.933 1.311 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.602 -7.366 0.476 1.00 10.00 H new ATOM 0 HG3 GLU A 59 10.664 -6.879 -0.830 1.00 10.00 H new ATOM 899 N ALA A 60 6.794 -5.166 1.303 1.00 10.00 N ATOM 900 CA ALA A 60 5.742 -5.689 2.160 1.00 10.00 C ATOM 901 C ALA A 60 4.510 -6.067 1.337 1.00 10.00 C ATOM 902 O ALA A 60 3.894 -7.103 1.580 1.00 10.00 O ATOM 903 CB ALA A 60 5.396 -4.671 3.249 1.00 10.00 C ATOM 0 H ALA A 60 7.054 -4.205 1.525 1.00 10.00 H new ATOM 0 HA ALA A 60 6.102 -6.596 2.645 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.607 -5.073 3.885 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.281 -4.469 3.852 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.053 -3.746 2.786 1.00 10.00 H new ATOM 909 N VAL A 61 4.149 -5.230 0.362 1.00 10.00 N ATOM 910 CA VAL A 61 3.063 -5.537 -0.558 1.00 10.00 C ATOM 911 C VAL A 61 3.478 -6.661 -1.514 1.00 10.00 C ATOM 912 O VAL A 61 2.756 -7.646 -1.641 1.00 10.00 O ATOM 913 CB VAL A 61 2.583 -4.255 -1.262 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.566 -4.579 -2.360 1.00 10.00 C ATOM 915 CG2 VAL A 61 1.919 -3.340 -0.221 1.00 10.00 C ATOM 0 H VAL A 61 4.599 -4.330 0.193 1.00 10.00 H new ATOM 0 HA VAL A 61 2.201 -5.916 -0.009 1.00 10.00 H new ATOM 0 HB VAL A 61 3.442 -3.763 -1.719 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.243 -3.656 -2.841 1.00 10.00 H new ATOM 0 HG12 VAL A 61 2.026 -5.233 -3.101 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.703 -5.080 -1.921 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.574 -2.427 -0.706 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.070 -3.856 0.228 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.642 -3.087 0.555 1.00 10.00 H new ATOM 925 N ASP A 62 4.649 -6.545 -2.147 1.00 10.00 N ATOM 926 CA ASP A 62 5.198 -7.546 -3.059 1.00 10.00 C ATOM 927 C ASP A 62 5.158 -8.931 -2.403 1.00 10.00 C ATOM 928 O ASP A 62 4.729 -9.915 -3.002 1.00 10.00 O ATOM 929 CB ASP A 62 6.626 -7.148 -3.480 1.00 10.00 C ATOM 930 CG ASP A 62 6.906 -7.420 -4.953 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.707 -8.564 -5.403 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.327 -6.450 -5.628 1.00 10.00 O ATOM 0 H ASP A 62 5.254 -5.732 -2.035 1.00 10.00 H new ATOM 0 HA ASP A 62 4.589 -7.592 -3.962 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.778 -6.088 -3.276 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.345 -7.696 -2.871 1.00 10.00 H new ATOM 937 N LYS A 63 5.533 -8.985 -1.119 1.00 10.00 N ATOM 938 CA LYS A 63 5.546 -10.198 -0.305 1.00 10.00 C ATOM 939 C LYS A 63 4.188 -10.914 -0.268 1.00 10.00 C ATOM 940 O LYS A 63 4.141 -12.115 -0.010 1.00 10.00 O ATOM 941 CB LYS A 63 6.030 -9.833 1.106 1.00 10.00 C ATOM 942 CG LYS A 63 6.359 -11.036 1.998 1.00 10.00 C ATOM 943 CD LYS A 63 7.032 -10.523 3.282 1.00 10.00 C ATOM 944 CE LYS A 63 7.525 -11.650 4.201 1.00 10.00 C ATOM 945 NZ LYS A 63 6.421 -12.486 4.713 1.00 10.00 N ATOM 0 H LYS A 63 5.844 -8.160 -0.607 1.00 10.00 H new ATOM 0 HA LYS A 63 6.231 -10.912 -0.762 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.918 -9.207 1.021 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.263 -9.233 1.595 1.00 10.00 H new ATOM 0 HG2 LYS A 63 5.450 -11.587 2.241 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.020 -11.726 1.474 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.876 -9.888 3.013 1.00 10.00 H new ATOM 0 HD3 LYS A 63 6.326 -9.899 3.830 1.00 10.00 H new ATOM 0 HE2 LYS A 63 8.229 -12.278 3.655 1.00 10.00 H new ATOM 0 HE3 LYS A 63 8.069 -11.218 5.041 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 6.806 -13.231 5.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 5.761 -11.895 5.258 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 5.917 -12.922 3.915 1.00 10.00 H new ATOM 959 N LEU A 64 3.084 -10.192 -0.485 1.00 10.00 N ATOM 960 CA LEU A 64 1.746 -10.772 -0.538 1.00 10.00 C ATOM 961 C LEU A 64 1.456 -11.436 -1.891 1.00 10.00 C ATOM 962 O LEU A 64 0.556 -12.269 -1.962 1.00 10.00 O ATOM 963 CB LEU A 64 0.691 -9.708 -0.206 1.00 10.00 C ATOM 964 CG LEU A 64 0.780 -9.220 1.248 1.00 10.00 C ATOM 965 CD1 LEU A 64 0.064 -7.873 1.393 1.00 10.00 C ATOM 966 CD2 LEU A 64 0.131 -10.235 2.195 1.00 10.00 C ATOM 0 H LEU A 64 3.098 -9.182 -0.629 1.00 10.00 H new ATOM 0 HA LEU A 64 1.698 -11.559 0.214 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.813 -8.859 -0.878 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.303 -10.118 -0.387 1.00 10.00 H new ATOM 0 HG LEU A 64 1.833 -9.108 1.507 1.00 10.00 H new ATOM 0 HD11 LEU A 64 0.132 -7.534 2.427 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.534 -7.139 0.739 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -0.984 -7.987 1.116 1.00 10.00 H new ATOM 0 HD21 LEU A 64 0.203 -9.873 3.221 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -0.918 -10.363 1.928 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.646 -11.192 2.111 1.00 10.00 H new ATOM 978 N GLY A 65 2.197 -11.095 -2.952 1.00 10.00 N ATOM 979 CA GLY A 65 2.135 -11.771 -4.243 1.00 10.00 C ATOM 980 C GLY A 65 1.883 -10.774 -5.369 1.00 10.00 C ATOM 981 O GLY A 65 2.653 -10.697 -6.325 1.00 10.00 O ATOM 0 H GLY A 65 2.867 -10.327 -2.932 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.069 -12.302 -4.425 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.341 -12.518 -4.229 1.00 10.00 H new ATOM 985 N TYR A 66 0.792 -10.013 -5.261 1.00 10.00 N ATOM 986 CA TYR A 66 0.539 -8.890 -6.157 1.00 10.00 C ATOM 987 C TYR A 66 1.616 -7.825 -5.965 1.00 10.00 C ATOM 988 O TYR A 66 2.303 -7.801 -4.946 1.00 10.00 O ATOM 989 CB TYR A 66 -0.865 -8.314 -5.947 1.00 10.00 C ATOM 990 CG TYR A 66 -1.355 -8.317 -4.515 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.731 -7.498 -3.558 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.345 -9.234 -4.112 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.138 -7.556 -2.216 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.748 -9.284 -2.768 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.201 -8.386 -1.841 1.00 10.00 C ATOM 996 OH TYR A 66 -2.711 -8.302 -0.585 1.00 10.00 O ATOM 0 H TYR A 66 0.068 -10.158 -4.557 1.00 10.00 H new ATOM 0 HA TYR A 66 0.583 -9.246 -7.186 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.879 -7.289 -6.317 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.568 -8.882 -6.556 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.060 -6.825 -3.855 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.794 -9.898 -4.836 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.631 -6.960 -1.472 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.478 -10.013 -2.449 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.654 -8.041 -0.632 1.00 10.00 H new ATOM 1006 N LYS A 67 1.765 -6.950 -6.958 1.00 10.00 N ATOM 1007 CA LYS A 67 2.850 -5.974 -7.013 1.00 10.00 C ATOM 1008 C LYS A 67 2.292 -4.564 -6.935 1.00 10.00 C ATOM 1009 O LYS A 67 1.091 -4.367 -7.062 1.00 10.00 O ATOM 1010 CB LYS A 67 3.676 -6.211 -8.280 1.00 10.00 C ATOM 1011 CG LYS A 67 4.629 -7.378 -8.011 1.00 10.00 C ATOM 1012 CD LYS A 67 5.055 -8.107 -9.292 1.00 10.00 C ATOM 1013 CE LYS A 67 6.583 -8.118 -9.411 1.00 10.00 C ATOM 1014 NZ LYS A 67 7.035 -8.924 -10.562 1.00 10.00 N ATOM 0 H LYS A 67 1.129 -6.899 -7.754 1.00 10.00 H new ATOM 0 HA LYS A 67 3.512 -6.096 -6.156 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.024 -6.438 -9.123 1.00 10.00 H new ATOM 0 HB3 LYS A 67 4.237 -5.314 -8.543 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.516 -7.006 -7.499 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.146 -8.087 -7.338 1.00 10.00 H new ATOM 0 HD2 LYS A 67 4.676 -9.129 -9.281 1.00 10.00 H new ATOM 0 HD3 LYS A 67 4.619 -7.615 -10.161 1.00 10.00 H new ATOM 0 HE2 LYS A 67 6.947 -7.096 -9.517 1.00 10.00 H new ATOM 0 HE3 LYS A 67 7.017 -8.518 -8.494 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 8.074 -8.908 -10.610 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.709 -9.905 -10.448 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 6.641 -8.528 -11.439 1.00 10.00 H new ATOM 1028 N LEU A 68 3.170 -3.590 -6.699 1.00 10.00 N ATOM 1029 CA LEU A 68 2.826 -2.205 -6.450 1.00 10.00 C ATOM 1030 C LEU A 68 3.916 -1.344 -7.065 1.00 10.00 C ATOM 1031 O LEU A 68 5.049 -1.795 -7.229 1.00 10.00 O ATOM 1032 CB LEU A 68 2.692 -1.984 -4.944 1.00 10.00 C ATOM 1033 CG LEU A 68 2.377 -0.556 -4.475 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.516 -0.649 -3.214 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.662 0.207 -4.105 1.00 10.00 C ATOM 0 H LEU A 68 4.176 -3.758 -6.677 1.00 10.00 H new ATOM 0 HA LEU A 68 1.871 -1.936 -6.900 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.907 -2.643 -4.573 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.622 -2.299 -4.471 1.00 10.00 H new ATOM 0 HG LEU A 68 1.869 -0.029 -5.283 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.279 0.354 -2.861 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.593 -1.181 -3.442 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.063 -1.187 -2.439 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.405 1.214 -3.777 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.177 -0.317 -3.300 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.315 0.264 -4.976 1.00 10.00 H new ATOM 1047 N LYS A 69 3.551 -0.122 -7.426 1.00 10.00 N ATOM 1048 CA LYS A 69 4.398 0.879 -8.049 1.00 10.00 C ATOM 1049 C LYS A 69 3.881 2.252 -7.625 1.00 10.00 C ATOM 1050 O LYS A 69 2.733 2.370 -7.206 1.00 10.00 O ATOM 1051 CB LYS A 69 4.334 0.751 -9.577 1.00 10.00 C ATOM 1052 CG LYS A 69 4.822 -0.613 -10.080 1.00 10.00 C ATOM 1053 CD LYS A 69 4.768 -0.674 -11.610 1.00 10.00 C ATOM 1054 CE LYS A 69 5.193 -2.065 -12.106 1.00 10.00 C ATOM 1055 NZ LYS A 69 4.608 -2.377 -13.425 1.00 10.00 N ATOM 0 H LYS A 69 2.599 0.215 -7.282 1.00 10.00 H new ATOM 0 HA LYS A 69 5.434 0.743 -7.738 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.307 0.909 -9.908 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.939 1.537 -10.029 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.842 -0.788 -9.739 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.204 -1.405 -9.657 1.00 10.00 H new ATOM 0 HD2 LYS A 69 3.758 -0.451 -11.954 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.424 0.086 -12.034 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.280 -2.112 -12.170 1.00 10.00 H new ATOM 0 HE3 LYS A 69 4.883 -2.819 -11.383 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 4.818 -3.365 -13.673 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 3.578 -2.241 -13.389 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 5.015 -1.745 -14.144 1.00 10.00 H new ATOM 1069 N LEU A 70 4.723 3.280 -7.736 1.00 10.00 N ATOM 1070 CA LEU A 70 4.334 4.654 -7.440 1.00 10.00 C ATOM 1071 C LEU A 70 3.275 5.136 -8.422 1.00 10.00 C ATOM 1072 O LEU A 70 3.249 4.702 -9.573 1.00 10.00 O ATOM 1073 CB LEU A 70 5.577 5.560 -7.395 1.00 10.00 C ATOM 1074 CG LEU A 70 5.360 7.085 -7.484 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.545 7.797 -6.819 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.280 7.592 -8.933 1.00 10.00 C ATOM 0 H LEU A 70 5.693 3.181 -8.034 1.00 10.00 H new ATOM 0 HA LEU A 70 3.877 4.698 -6.452 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.110 5.351 -6.467 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.235 5.267 -8.213 1.00 10.00 H new ATOM 0 HG LEU A 70 4.413 7.299 -6.988 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.400 8.876 -6.877 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.611 7.495 -5.774 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.467 7.526 -7.333 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.127 8.671 -8.933 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.209 7.357 -9.452 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.447 7.107 -9.443 1.00 10.00 H new ATOM 1088 N LYS A 71 2.421 6.045 -7.946 1.00 10.00 N ATOM 1089 CA LYS A 71 1.383 6.691 -8.733 1.00 10.00 C ATOM 1090 C LYS A 71 1.424 8.212 -8.622 1.00 10.00 C ATOM 1091 O LYS A 71 1.404 8.897 -9.643 1.00 10.00 O ATOM 1092 CB LYS A 71 0.006 6.104 -8.405 1.00 10.00 C ATOM 1093 CG LYS A 71 -1.106 6.503 -9.381 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.806 6.136 -10.842 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.083 6.235 -11.688 1.00 10.00 C ATOM 1096 NZ LYS A 71 -2.980 5.080 -11.476 1.00 10.00 N ATOM 0 H LYS A 71 2.438 6.357 -6.975 1.00 10.00 H new ATOM 0 HA LYS A 71 1.583 6.476 -9.783 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.084 5.017 -8.388 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.279 6.419 -7.401 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.035 6.019 -9.077 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.269 7.578 -9.312 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.043 6.804 -11.243 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -0.404 5.124 -10.895 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.612 7.155 -11.439 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.815 6.297 -12.743 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.944 5.329 -11.778 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.641 4.270 -12.033 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.988 4.827 -10.467 1.00 10.00 H new ATOM 1110 N GLY A 72 1.482 8.745 -7.405 1.00 10.00 N ATOM 1111 CA GLY A 72 1.406 10.179 -7.181 1.00 10.00 C ATOM 1112 C GLY A 72 1.730 10.485 -5.726 1.00 10.00 C ATOM 1113 O GLY A 72 2.033 9.566 -4.965 1.00 10.00 O ATOM 0 H GLY A 72 1.583 8.195 -6.552 1.00 10.00 H new ATOM 0 HA2 GLY A 72 2.105 10.697 -7.837 1.00 10.00 H new ATOM 0 HA3 GLY A 72 0.409 10.544 -7.427 1.00 10.00 H new ATOM 1117 N GLU A 73 1.690 11.768 -5.350 1.00 10.00 N ATOM 1118 CA GLU A 73 2.059 12.209 -4.008 1.00 10.00 C ATOM 1119 C GLU A 73 1.489 13.602 -3.691 1.00 10.00 C ATOM 1120 O GLU A 73 2.174 14.438 -3.110 1.00 10.00 O ATOM 1121 CB GLU A 73 3.593 12.099 -3.842 1.00 10.00 C ATOM 1122 CG GLU A 73 4.075 11.970 -2.388 1.00 10.00 C ATOM 1123 CD GLU A 73 5.459 11.332 -2.319 1.00 10.00 C ATOM 1124 OE1 GLU A 73 6.403 11.967 -2.835 1.00 10.00 O ATOM 1125 OE2 GLU A 73 5.545 10.205 -1.778 1.00 10.00 O ATOM 0 H GLU A 73 1.401 12.526 -5.969 1.00 10.00 H new ATOM 0 HA GLU A 73 1.606 11.554 -3.263 1.00 10.00 H new ATOM 0 HB2 GLU A 73 3.944 11.234 -4.405 1.00 10.00 H new ATOM 0 HB3 GLU A 73 4.057 12.979 -4.287 1.00 10.00 H new ATOM 0 HG2 GLU A 73 4.103 12.955 -1.923 1.00 10.00 H new ATOM 0 HG3 GLU A 73 3.366 11.369 -1.819 1.00 10.00 H new ATOM 1132 N GLN A 74 0.221 13.853 -4.055 1.00 10.00 N ATOM 1133 CA GLN A 74 -0.523 15.041 -3.630 1.00 10.00 C ATOM 1134 C GLN A 74 -2.033 14.875 -3.883 1.00 10.00 C ATOM 1135 O GLN A 74 -2.635 15.513 -4.754 1.00 10.00 O ATOM 1136 CB GLN A 74 0.069 16.353 -4.198 1.00 10.00 C ATOM 1137 CG GLN A 74 0.644 17.229 -3.073 1.00 10.00 C ATOM 1138 CD GLN A 74 1.091 18.596 -3.579 1.00 10.00 C ATOM 1139 OE1 GLN A 74 2.276 18.856 -3.748 1.00 10.00 O ATOM 1140 NE2 GLN A 74 0.142 19.504 -3.796 1.00 10.00 N ATOM 0 H GLN A 74 -0.317 13.230 -4.657 1.00 10.00 H new ATOM 0 HA GLN A 74 -0.405 15.134 -2.550 1.00 10.00 H new ATOM 0 HB2 GLN A 74 0.852 16.121 -4.919 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -0.704 16.904 -4.734 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -0.109 17.360 -2.296 1.00 10.00 H new ATOM 0 HG3 GLN A 74 1.491 16.719 -2.614 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -0.838 19.263 -3.648 1.00 10.00 H new ATOM 0 HE22 GLN A 74 0.395 20.441 -4.110 1.00 10.00 H new ATOM 1149 N ASP A 75 -2.657 14.049 -3.040 1.00 10.00 N ATOM 1150 CA ASP A 75 -4.099 13.936 -2.869 1.00 10.00 C ATOM 1151 C ASP A 75 -4.598 15.225 -2.203 1.00 10.00 C ATOM 1152 O ASP A 75 -4.855 15.296 -1.001 1.00 10.00 O ATOM 1153 CB ASP A 75 -4.427 12.652 -2.087 1.00 10.00 C ATOM 1154 CG ASP A 75 -5.826 12.663 -1.482 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -6.756 13.082 -2.200 1.00 10.00 O ATOM 1156 OD2 ASP A 75 -5.935 12.265 -0.298 1.00 10.00 O ATOM 0 H ASP A 75 -2.142 13.413 -2.431 1.00 10.00 H new ATOM 0 HA ASP A 75 -4.620 13.840 -3.821 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -4.332 11.794 -2.752 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -3.694 12.521 -1.291 1.00 10.00 H new ATOM 1161 N SER A 76 -4.643 16.282 -3.013 1.00 10.00 N ATOM 1162 CA SER A 76 -5.286 17.553 -2.704 1.00 10.00 C ATOM 1163 C SER A 76 -5.530 18.333 -4.004 1.00 10.00 C ATOM 1164 O SER A 76 -6.661 18.395 -4.478 1.00 10.00 O ATOM 1165 CB SER A 76 -4.476 18.327 -1.652 1.00 10.00 C ATOM 1166 OG SER A 76 -5.078 19.576 -1.380 1.00 10.00 O ATOM 0 H SER A 76 -4.215 16.273 -3.939 1.00 10.00 H new ATOM 0 HA SER A 76 -6.264 17.384 -2.252 1.00 10.00 H new ATOM 0 HB2 SER A 76 -4.409 17.742 -0.735 1.00 10.00 H new ATOM 0 HB3 SER A 76 -3.457 18.478 -2.009 1.00 10.00 H new ATOM 0 HG SER A 76 -4.550 20.054 -0.707 1.00 10.00 H new ATOM 1172 N ILE A 77 -4.479 18.922 -4.588 1.00 10.00 N ATOM 1173 CA ILE A 77 -4.574 19.725 -5.809 1.00 10.00 C ATOM 1174 C ILE A 77 -4.146 18.914 -7.036 1.00 10.00 C ATOM 1175 O ILE A 77 -4.730 19.068 -8.111 1.00 10.00 O ATOM 1176 CB ILE A 77 -3.750 21.023 -5.652 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -4.340 21.914 -4.539 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -3.711 21.829 -6.960 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -3.481 21.892 -3.274 1.00 10.00 C ATOM 0 H ILE A 77 -3.530 18.852 -4.221 1.00 10.00 H new ATOM 0 HA ILE A 77 -5.615 20.007 -5.968 1.00 10.00 H new ATOM 0 HB ILE A 77 -2.735 20.724 -5.388 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -4.426 22.938 -4.902 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -5.348 21.575 -4.299 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -3.123 22.735 -6.812 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -3.256 21.226 -7.746 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -4.726 22.099 -7.251 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -3.933 22.532 -2.516 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -3.417 20.872 -2.896 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -2.480 22.256 -3.507 1.00 10.00 H new ATOM 1191 N GLU A 78 -3.101 18.091 -6.893 1.00 10.00 N ATOM 1192 CA GLU A 78 -2.554 17.324 -8.003 1.00 10.00 C ATOM 1193 C GLU A 78 -3.511 16.190 -8.370 1.00 10.00 C ATOM 1194 O GLU A 78 -3.828 16.009 -9.544 1.00 10.00 O ATOM 1195 CB GLU A 78 -1.148 16.821 -7.651 1.00 10.00 C ATOM 1196 CG GLU A 78 -0.439 16.222 -8.875 1.00 10.00 C ATOM 1197 CD GLU A 78 0.958 16.802 -9.046 1.00 10.00 C ATOM 1198 OE1 GLU A 78 1.817 16.451 -8.211 1.00 10.00 O ATOM 1199 OE2 GLU A 78 1.126 17.607 -9.987 1.00 10.00 O ATOM 0 H GLU A 78 -2.617 17.943 -6.007 1.00 10.00 H new ATOM 0 HA GLU A 78 -2.454 17.959 -8.883 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -0.555 17.645 -7.253 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -1.216 16.069 -6.865 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -0.374 15.139 -8.766 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -1.028 16.418 -9.771 1.00 10.00 H new ATOM 1206 N GLY A 79 -3.985 15.448 -7.363 1.00 10.00 N ATOM 1207 CA GLY A 79 -5.027 14.444 -7.537 1.00 10.00 C ATOM 1208 C GLY A 79 -6.210 15.011 -8.329 1.00 10.00 C ATOM 1209 O GLY A 79 -6.806 16.006 -7.917 1.00 10.00 O ATOM 0 H GLY A 79 -3.652 15.531 -6.403 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -4.619 13.577 -8.057 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -5.370 14.098 -6.562 1.00 10.00 H new ATOM 1213 N ARG A 80 -6.530 14.395 -9.470 1.00 10.00 N ATOM 1214 CA ARG A 80 -7.580 14.768 -10.399 1.00 10.00 C ATOM 1215 C ARG A 80 -8.010 13.470 -11.077 1.00 10.00 C ATOM 1216 O ARG A 80 -7.216 12.504 -10.978 1.00 10.00 O ATOM 1217 CB ARG A 80 -7.036 15.732 -11.462 1.00 10.00 C ATOM 1218 CG ARG A 80 -6.765 17.137 -10.919 1.00 10.00 C ATOM 1219 CD ARG A 80 -6.180 18.015 -12.027 1.00 10.00 C ATOM 1220 NE ARG A 80 -5.917 19.373 -11.527 1.00 10.00 N ATOM 1221 CZ ARG A 80 -5.631 20.423 -12.312 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -5.453 20.240 -13.625 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -5.534 21.648 -11.784 1.00 10.00 N ATOM 1224 OXT ARG A 80 -9.096 13.474 -11.695 1.00 10.00 O ATOM 0 H ARG A 80 -6.023 13.567 -9.783 1.00 10.00 H new ATOM 0 HA ARG A 80 -8.404 15.264 -9.885 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -6.113 15.325 -11.874 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -7.750 15.798 -12.283 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -7.689 17.577 -10.543 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -6.072 17.085 -10.079 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -5.255 17.573 -12.399 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -6.873 18.059 -12.867 1.00 10.00 H new ATOM 0 HE ARG A 80 -5.954 19.526 -10.519 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -5.535 19.305 -14.025 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -5.235 21.035 -14.226 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -5.677 21.785 -10.783 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -5.317 22.445 -12.382 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -7.066 -11.358 -5.454 1.00 10.00 CU