USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 SER OG : rot -67:sc= 1.09 USER MOD Set 1.2: A 62 ASN : amide:sc= 0.773 K(o=1.9,f=-1.2) USER MOD Set 2.1: A 15 TYR OH : rot 180:sc= 0.841 USER MOD Set 2.2: A 48 LYS NZ :NH3+ -121:sc= 2.24 (180deg=0.0238) USER MOD Set 3.1: A 22 SER OG : rot -87:sc= 1.21 USER MOD Set 3.2: A 43 SER OG : rot 180:sc= 1.03 USER MOD Set 4.1: A 16 LYS NZ :NH3+ -140:sc= 2.76 (180deg=-0.316) USER MOD Set 4.2: A 18 TYR OH : rot 180:sc= 0.948 USER MOD Set 4.3: A 53 ASN : amide:sc= 0.878 K(o=4.6,f=-3.4!) USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.634 (180deg=0.00492) USER MOD Single : A 1 SER OG : rot 180:sc= 0.216 USER MOD Single : A 3 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 4 THR OG1 : rot 84:sc= 0.102 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 9 THR OG1 : rot -92:sc= 0.97 USER MOD Single : A 11 SER OG : rot 17:sc= 0.915 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 23 MET CE :methyl 180:sc= -0.0143 (180deg=-0.0143) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 150:sc= 0.257 USER MOD Single : A 38 SER OG : rot -149:sc= -1.73! USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.06) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0884 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.27! K(o=-3.3!,f=-0.39) USER MOD Single : A 57 SER OG : rot 62:sc= 0.12 USER MOD Single : A 65 ASN : amide:sc= 0.64 K(o=0.64,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.717 6.970 4.329 1.00 0.00 N ATOM 2 CA SER A 1 16.838 7.440 2.934 1.00 0.00 C ATOM 3 C SER A 1 15.469 7.497 2.271 1.00 0.00 C ATOM 4 O SER A 1 14.493 6.957 2.798 1.00 0.00 O ATOM 5 CB SER A 1 17.759 6.499 2.158 1.00 0.00 C ATOM 6 OG SER A 1 18.425 5.601 3.039 1.00 0.00 O ATOM 0 H1 SER A 1 17.017 7.726 4.977 1.00 0.00 H new ATOM 0 H2 SER A 1 15.727 6.718 4.526 1.00 0.00 H new ATOM 0 H3 SER A 1 17.321 6.135 4.468 1.00 0.00 H new ATOM 0 HA SER A 1 17.262 8.444 2.933 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.178 5.935 1.428 1.00 0.00 H new ATOM 0 HB3 SER A 1 18.494 7.080 1.601 1.00 0.00 H new ATOM 0 HG SER A 1 19.008 5.007 2.521 1.00 0.00 H new ATOM 14 N ALA A 2 15.395 8.157 1.127 1.00 0.00 N ATOM 15 CA ALA A 2 14.163 8.226 0.365 1.00 0.00 C ATOM 16 C ALA A 2 13.973 6.940 -0.428 1.00 0.00 C ATOM 17 O ALA A 2 14.452 6.814 -1.555 1.00 0.00 O ATOM 18 CB ALA A 2 14.181 9.431 -0.560 1.00 0.00 C ATOM 0 H ALA A 2 16.179 8.655 0.705 1.00 0.00 H new ATOM 0 HA ALA A 2 13.325 8.339 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.250 9.470 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.285 10.341 0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.021 9.348 -1.250 1.00 0.00 H new ATOM 24 N THR A 3 13.293 5.984 0.188 1.00 0.00 N ATOM 25 CA THR A 3 13.071 4.672 -0.405 1.00 0.00 C ATOM 26 C THR A 3 12.205 4.761 -1.657 1.00 0.00 C ATOM 27 O THR A 3 11.051 5.186 -1.592 1.00 0.00 O ATOM 28 CB THR A 3 12.395 3.737 0.615 1.00 0.00 C ATOM 29 OG1 THR A 3 12.262 4.415 1.875 1.00 0.00 O ATOM 30 CG2 THR A 3 13.205 2.463 0.799 1.00 0.00 C ATOM 0 H THR A 3 12.879 6.095 1.114 1.00 0.00 H new ATOM 0 HA THR A 3 14.044 4.271 -0.688 1.00 0.00 H new ATOM 0 HB THR A 3 11.409 3.466 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.540 5.075 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 3 12.709 1.818 1.524 1.00 0.00 H new ATOM 0 HG22 THR A 3 13.286 1.942 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 3 14.202 2.715 1.160 1.00 0.00 H new ATOM 38 N THR A 4 12.772 4.373 -2.790 1.00 0.00 N ATOM 39 CA THR A 4 12.051 4.377 -4.052 1.00 0.00 C ATOM 40 C THR A 4 11.148 3.154 -4.160 1.00 0.00 C ATOM 41 O THR A 4 11.587 2.021 -3.949 1.00 0.00 O ATOM 42 CB THR A 4 13.030 4.406 -5.238 1.00 0.00 C ATOM 43 OG1 THR A 4 14.374 4.558 -4.749 1.00 0.00 O ATOM 44 CG2 THR A 4 12.694 5.547 -6.186 1.00 0.00 C ATOM 0 H THR A 4 13.737 4.049 -2.860 1.00 0.00 H new ATOM 0 HA THR A 4 11.434 5.275 -4.082 1.00 0.00 H new ATOM 0 HB THR A 4 12.944 3.467 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.732 3.681 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.399 5.549 -7.017 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.682 5.416 -6.569 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.760 6.495 -5.652 1.00 0.00 H new ATOM 52 N ILE A 5 9.882 3.393 -4.469 1.00 0.00 N ATOM 53 CA ILE A 5 8.893 2.329 -4.529 1.00 0.00 C ATOM 54 C ILE A 5 8.748 1.762 -5.940 1.00 0.00 C ATOM 55 O ILE A 5 8.682 2.504 -6.925 1.00 0.00 O ATOM 56 CB ILE A 5 7.512 2.822 -4.033 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.526 2.980 -2.513 1.00 0.00 C ATOM 58 CG2 ILE A 5 6.405 1.863 -4.459 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.241 3.553 -1.950 1.00 0.00 C ATOM 0 H ILE A 5 9.515 4.320 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 5 9.251 1.536 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 5 7.310 3.792 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.711 2.007 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.357 3.627 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.445 2.232 -4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.382 1.794 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.596 0.876 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.324 3.637 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.065 4.540 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.409 2.895 -2.201 1.00 0.00 H new ATOM 71 N GLY A 6 8.737 0.438 -6.022 1.00 0.00 N ATOM 72 CA GLY A 6 8.380 -0.240 -7.248 1.00 0.00 C ATOM 73 C GLY A 6 7.082 -1.008 -7.068 1.00 0.00 C ATOM 74 O GLY A 6 6.942 -1.744 -6.095 1.00 0.00 O ATOM 0 H GLY A 6 8.973 -0.184 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.272 0.485 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.178 -0.924 -7.539 1.00 0.00 H new ATOM 78 N PRO A 7 6.113 -0.846 -7.984 1.00 0.00 N ATOM 79 CA PRO A 7 4.772 -1.447 -7.872 1.00 0.00 C ATOM 80 C PRO A 7 4.782 -2.958 -7.626 1.00 0.00 C ATOM 81 O PRO A 7 3.960 -3.472 -6.867 1.00 0.00 O ATOM 82 CB PRO A 7 4.124 -1.138 -9.232 1.00 0.00 C ATOM 83 CG PRO A 7 5.242 -0.698 -10.113 1.00 0.00 C ATOM 84 CD PRO A 7 6.229 -0.041 -9.201 1.00 0.00 C ATOM 0 HA PRO A 7 4.240 -1.040 -7.012 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.626 -2.018 -9.639 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.368 -0.359 -9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.690 -1.545 -10.632 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.891 -0.005 -10.877 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.239 -0.065 -9.610 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.983 1.006 -9.021 1.00 0.00 H new ATOM 92 N ASN A 8 5.716 -3.668 -8.250 1.00 0.00 N ATOM 93 CA ASN A 8 5.739 -5.129 -8.166 1.00 0.00 C ATOM 94 C ASN A 8 6.511 -5.611 -6.940 1.00 0.00 C ATOM 95 O ASN A 8 7.216 -6.620 -6.991 1.00 0.00 O ATOM 96 CB ASN A 8 6.333 -5.735 -9.438 1.00 0.00 C ATOM 97 CG ASN A 8 5.566 -6.959 -9.906 1.00 0.00 C ATOM 98 OD1 ASN A 8 5.237 -7.850 -9.117 1.00 0.00 O ATOM 99 ND2 ASN A 8 5.274 -7.015 -11.197 1.00 0.00 N ATOM 0 H ASN A 8 6.462 -3.263 -8.815 1.00 0.00 H new ATOM 0 HA ASN A 8 4.707 -5.465 -8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.334 -4.985 -10.229 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.373 -6.008 -9.257 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.761 -7.814 -11.570 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.563 -6.259 -11.818 1.00 0.00 H new ATOM 106 N THR A 9 6.384 -4.882 -5.843 1.00 0.00 N ATOM 107 CA THR A 9 6.953 -5.308 -4.575 1.00 0.00 C ATOM 108 C THR A 9 6.024 -6.321 -3.932 1.00 0.00 C ATOM 109 O THR A 9 6.432 -7.421 -3.552 1.00 0.00 O ATOM 110 CB THR A 9 7.137 -4.119 -3.618 1.00 0.00 C ATOM 111 OG1 THR A 9 6.234 -3.071 -3.981 1.00 0.00 O ATOM 112 CG2 THR A 9 8.565 -3.600 -3.657 1.00 0.00 C ATOM 0 H THR A 9 5.891 -3.990 -5.805 1.00 0.00 H new ATOM 0 HA THR A 9 7.931 -5.749 -4.767 1.00 0.00 H new ATOM 0 HB THR A 9 6.925 -4.457 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.675 -2.462 -4.609 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.665 -2.759 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.249 -4.395 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.806 -3.273 -4.669 1.00 0.00 H new ATOM 120 N CYS A 10 4.765 -5.930 -3.831 1.00 0.00 N ATOM 121 CA CYS A 10 3.717 -6.795 -3.329 1.00 0.00 C ATOM 122 C CYS A 10 2.481 -6.634 -4.201 1.00 0.00 C ATOM 123 O CYS A 10 1.909 -5.549 -4.276 1.00 0.00 O ATOM 124 CB CYS A 10 3.386 -6.449 -1.873 1.00 0.00 C ATOM 125 SG CYS A 10 4.463 -7.260 -0.644 1.00 0.00 S ATOM 0 H CYS A 10 4.442 -5.000 -4.097 1.00 0.00 H new ATOM 0 HA CYS A 10 4.057 -7.830 -3.363 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.456 -5.369 -1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.352 -6.727 -1.672 1.00 0.00 H new ATOM 130 N SER A 11 2.096 -7.707 -4.878 1.00 0.00 N ATOM 131 CA SER A 11 0.955 -7.692 -5.787 1.00 0.00 C ATOM 132 C SER A 11 0.491 -9.118 -6.041 1.00 0.00 C ATOM 133 O SER A 11 -0.199 -9.403 -7.017 1.00 0.00 O ATOM 134 CB SER A 11 1.326 -7.013 -7.113 1.00 0.00 C ATOM 135 OG SER A 11 1.414 -5.603 -6.964 1.00 0.00 O ATOM 0 H SER A 11 2.564 -8.611 -4.814 1.00 0.00 H new ATOM 0 HA SER A 11 0.146 -7.123 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.279 -7.403 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.579 -7.255 -7.869 1.00 0.00 H new ATOM 0 HG SER A 11 1.482 -5.378 -6.013 1.00 0.00 H new ATOM 141 N ILE A 12 0.861 -10.007 -5.131 1.00 0.00 N ATOM 142 CA ILE A 12 0.558 -11.420 -5.269 1.00 0.00 C ATOM 143 C ILE A 12 -0.885 -11.695 -4.872 1.00 0.00 C ATOM 144 O ILE A 12 -1.774 -11.767 -5.718 1.00 0.00 O ATOM 145 CB ILE A 12 1.486 -12.286 -4.389 1.00 0.00 C ATOM 146 CG1 ILE A 12 2.722 -11.499 -3.943 1.00 0.00 C ATOM 147 CG2 ILE A 12 1.901 -13.542 -5.135 1.00 0.00 C ATOM 148 CD1 ILE A 12 2.736 -11.173 -2.464 1.00 0.00 C ATOM 0 H ILE A 12 1.376 -9.770 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 12 0.715 -11.682 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 12 0.930 -12.573 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.615 -12.074 -4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.775 -10.570 -4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.555 -14.142 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.015 -14.121 -5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.432 -13.265 -6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.641 -10.615 -2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.862 -10.571 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.715 -12.098 -1.887 1.00 0.00 H new ATOM 160 N ASP A 13 -1.104 -11.823 -3.574 1.00 0.00 N ATOM 161 CA ASP A 13 -2.427 -12.085 -3.021 1.00 0.00 C ATOM 162 C ASP A 13 -3.248 -10.797 -2.967 1.00 0.00 C ATOM 163 O ASP A 13 -3.659 -10.355 -1.891 1.00 0.00 O ATOM 164 CB ASP A 13 -2.264 -12.676 -1.624 1.00 0.00 C ATOM 165 CG ASP A 13 -3.485 -13.433 -1.135 1.00 0.00 C ATOM 166 OD1 ASP A 13 -3.706 -14.579 -1.590 1.00 0.00 O ATOM 167 OD2 ASP A 13 -4.205 -12.905 -0.263 1.00 0.00 O ATOM 0 H ASP A 13 -0.369 -11.748 -2.870 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.959 -12.792 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.406 -13.348 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.041 -11.872 -0.923 1.00 0.00 H new ATOM 172 N ASP A 14 -3.463 -10.200 -4.141 1.00 0.00 N ATOM 173 CA ASP A 14 -4.134 -8.904 -4.272 1.00 0.00 C ATOM 174 C ASP A 14 -3.536 -7.886 -3.308 1.00 0.00 C ATOM 175 O ASP A 14 -4.250 -7.155 -2.622 1.00 0.00 O ATOM 176 CB ASP A 14 -5.646 -9.033 -4.043 1.00 0.00 C ATOM 177 CG ASP A 14 -6.438 -8.004 -4.834 1.00 0.00 C ATOM 178 OD1 ASP A 14 -5.833 -7.279 -5.656 1.00 0.00 O ATOM 179 OD2 ASP A 14 -7.671 -7.925 -4.651 1.00 0.00 O ATOM 0 H ASP A 14 -3.175 -10.604 -5.032 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.976 -8.552 -5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.970 -10.034 -4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.862 -8.917 -2.981 1.00 0.00 H new ATOM 184 N TYR A 15 -2.213 -7.854 -3.256 1.00 0.00 N ATOM 185 CA TYR A 15 -1.506 -6.953 -2.363 1.00 0.00 C ATOM 186 C TYR A 15 -1.072 -5.708 -3.112 1.00 0.00 C ATOM 187 O TYR A 15 -0.879 -5.742 -4.326 1.00 0.00 O ATOM 188 CB TYR A 15 -0.281 -7.650 -1.756 1.00 0.00 C ATOM 189 CG TYR A 15 -0.619 -8.575 -0.615 1.00 0.00 C ATOM 190 CD1 TYR A 15 -1.268 -8.103 0.514 1.00 0.00 C ATOM 191 CD2 TYR A 15 -0.299 -9.924 -0.670 1.00 0.00 C ATOM 192 CE1 TYR A 15 -1.598 -8.945 1.556 1.00 0.00 C ATOM 193 CE2 TYR A 15 -0.630 -10.776 0.365 1.00 0.00 C ATOM 194 CZ TYR A 15 -1.274 -10.280 1.476 1.00 0.00 C ATOM 195 OH TYR A 15 -1.620 -11.129 2.500 1.00 0.00 O ATOM 0 H TYR A 15 -1.607 -8.445 -3.825 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.181 -6.666 -1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.227 -8.218 -2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.420 -6.893 -1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.521 -7.055 0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.217 -10.313 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.106 -8.559 2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.385 -11.826 0.303 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.320 -12.037 2.287 1.00 0.00 H new ATOM 205 N LYS A 16 -0.945 -4.611 -2.388 1.00 0.00 N ATOM 206 CA LYS A 16 -0.410 -3.383 -2.945 1.00 0.00 C ATOM 207 C LYS A 16 0.633 -2.815 -1.996 1.00 0.00 C ATOM 208 O LYS A 16 0.487 -2.925 -0.774 1.00 0.00 O ATOM 209 CB LYS A 16 -1.518 -2.349 -3.168 1.00 0.00 C ATOM 210 CG LYS A 16 -2.640 -2.814 -4.082 1.00 0.00 C ATOM 211 CD LYS A 16 -3.329 -1.634 -4.751 1.00 0.00 C ATOM 212 CE LYS A 16 -4.805 -1.908 -4.987 1.00 0.00 C ATOM 213 NZ LYS A 16 -5.678 -0.976 -4.226 1.00 0.00 N ATOM 0 H LYS A 16 -1.208 -4.546 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 16 0.044 -3.609 -3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.943 -2.076 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.075 -1.446 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.239 -3.484 -4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.368 -3.385 -3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.218 -0.746 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.842 -1.419 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.023 -1.820 -6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.033 -2.934 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.493 -1.497 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.138 -0.556 -3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.014 -0.222 -4.858 1.00 0.00 H new ATOM 227 N PRO A 17 1.710 -2.228 -2.530 1.00 0.00 N ATOM 228 CA PRO A 17 2.694 -1.529 -1.713 1.00 0.00 C ATOM 229 C PRO A 17 2.119 -0.221 -1.183 1.00 0.00 C ATOM 230 O PRO A 17 1.990 0.758 -1.916 1.00 0.00 O ATOM 231 CB PRO A 17 3.850 -1.268 -2.678 1.00 0.00 C ATOM 232 CG PRO A 17 3.227 -1.261 -4.032 1.00 0.00 C ATOM 233 CD PRO A 17 2.057 -2.206 -3.965 1.00 0.00 C ATOM 0 HA PRO A 17 3.001 -2.100 -0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.337 -0.317 -2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.613 -2.042 -2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.901 -0.257 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.942 -1.581 -4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.223 -1.856 -4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.322 -3.199 -4.329 1.00 0.00 H new ATOM 241 N TYR A 18 1.755 -0.219 0.084 1.00 0.00 N ATOM 242 CA TYR A 18 1.061 0.910 0.667 1.00 0.00 C ATOM 243 C TYR A 18 1.979 1.737 1.547 1.00 0.00 C ATOM 244 O TYR A 18 2.616 1.214 2.456 1.00 0.00 O ATOM 245 CB TYR A 18 -0.128 0.419 1.479 1.00 0.00 C ATOM 246 CG TYR A 18 -1.356 0.171 0.641 1.00 0.00 C ATOM 247 CD1 TYR A 18 -2.028 1.224 0.035 1.00 0.00 C ATOM 248 CD2 TYR A 18 -1.840 -1.111 0.457 1.00 0.00 C ATOM 249 CE1 TYR A 18 -3.151 1.001 -0.737 1.00 0.00 C ATOM 250 CE2 TYR A 18 -2.960 -1.346 -0.312 1.00 0.00 C ATOM 251 CZ TYR A 18 -3.615 -0.288 -0.905 1.00 0.00 C ATOM 252 OH TYR A 18 -4.734 -0.519 -1.673 1.00 0.00 O ATOM 0 H TYR A 18 1.929 -0.989 0.730 1.00 0.00 H new ATOM 0 HA TYR A 18 0.715 1.547 -0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.146 -0.503 1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.363 1.154 2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.667 2.233 0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.332 -1.942 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.662 1.829 -1.206 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.322 -2.354 -0.449 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.926 -1.480 -1.690 1.00 0.00 H new ATOM 262 N CYS A 19 2.045 3.025 1.264 1.00 0.00 N ATOM 263 CA CYS A 19 2.795 3.948 2.096 1.00 0.00 C ATOM 264 C CYS A 19 1.886 4.512 3.176 1.00 0.00 C ATOM 265 O CYS A 19 1.163 5.484 2.956 1.00 0.00 O ATOM 266 CB CYS A 19 3.393 5.079 1.258 1.00 0.00 C ATOM 267 SG CYS A 19 5.045 5.611 1.811 1.00 0.00 S ATOM 0 H CYS A 19 1.587 3.457 0.462 1.00 0.00 H new ATOM 0 HA CYS A 19 3.618 3.408 2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.455 4.755 0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.718 5.935 1.285 1.00 0.00 H new ATOM 272 N CYS A 20 1.904 3.873 4.331 1.00 0.00 N ATOM 273 CA CYS A 20 1.066 4.267 5.448 1.00 0.00 C ATOM 274 C CYS A 20 1.730 5.367 6.259 1.00 0.00 C ATOM 275 O CYS A 20 2.878 5.227 6.678 1.00 0.00 O ATOM 276 CB CYS A 20 0.785 3.056 6.339 1.00 0.00 C ATOM 277 SG CYS A 20 0.267 1.568 5.423 1.00 0.00 S ATOM 0 H CYS A 20 2.499 3.067 4.521 1.00 0.00 H new ATOM 0 HA CYS A 20 0.125 4.651 5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.682 2.823 6.912 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.007 3.318 7.056 1.00 0.00 H new ATOM 282 N GLN A 21 1.016 6.469 6.455 1.00 0.00 N ATOM 283 CA GLN A 21 1.511 7.573 7.266 1.00 0.00 C ATOM 284 C GLN A 21 1.838 7.097 8.679 1.00 0.00 C ATOM 285 O GLN A 21 0.942 6.800 9.472 1.00 0.00 O ATOM 286 CB GLN A 21 0.480 8.699 7.315 1.00 0.00 C ATOM 287 CG GLN A 21 0.661 9.736 6.221 1.00 0.00 C ATOM 288 CD GLN A 21 1.473 10.926 6.687 1.00 0.00 C ATOM 289 OE1 GLN A 21 1.066 11.655 7.596 1.00 0.00 O ATOM 290 NE2 GLN A 21 2.618 11.138 6.064 1.00 0.00 N ATOM 0 H GLN A 21 0.088 6.621 6.061 1.00 0.00 H new ATOM 0 HA GLN A 21 2.425 7.953 6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.519 8.270 7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.539 9.192 8.285 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.154 9.275 5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.317 10.077 5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.916 10.510 5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.204 11.930 6.329 1.00 0.00 H new ATOM 299 N SER A 22 3.124 7.016 8.979 1.00 0.00 N ATOM 300 CA SER A 22 3.588 6.506 10.256 1.00 0.00 C ATOM 301 C SER A 22 3.424 7.537 11.364 1.00 0.00 C ATOM 302 O SER A 22 4.101 8.566 11.374 1.00 0.00 O ATOM 303 CB SER A 22 5.055 6.101 10.139 1.00 0.00 C ATOM 304 OG SER A 22 5.421 5.938 8.779 1.00 0.00 O ATOM 0 H SER A 22 3.872 7.301 8.346 1.00 0.00 H new ATOM 0 HA SER A 22 2.981 5.638 10.516 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.685 6.860 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.225 5.171 10.681 1.00 0.00 H new ATOM 0 HG SER A 22 5.217 5.023 8.493 1.00 0.00 H new ATOM 310 N MET A 23 2.513 7.259 12.286 1.00 0.00 N ATOM 311 CA MET A 23 2.351 8.082 13.474 1.00 0.00 C ATOM 312 C MET A 23 2.980 7.383 14.673 1.00 0.00 C ATOM 313 O MET A 23 2.850 7.836 15.810 1.00 0.00 O ATOM 314 CB MET A 23 0.870 8.357 13.741 1.00 0.00 C ATOM 315 CG MET A 23 0.457 9.787 13.438 1.00 0.00 C ATOM 316 SD MET A 23 -1.093 9.884 12.519 1.00 0.00 S ATOM 317 CE MET A 23 -0.484 9.854 10.837 1.00 0.00 C ATOM 0 H MET A 23 1.873 6.467 12.233 1.00 0.00 H new ATOM 0 HA MET A 23 2.852 9.036 13.311 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.268 7.677 13.138 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.650 8.137 14.786 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.355 10.337 14.373 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.246 10.275 12.865 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.324 9.907 10.145 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.175 10.706 10.674 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.068 8.930 10.666 1.00 0.00 H new ATOM 327 N SER A 24 3.663 6.273 14.387 1.00 0.00 N ATOM 328 CA SER A 24 4.307 5.454 15.409 1.00 0.00 C ATOM 329 C SER A 24 3.294 4.976 16.447 1.00 0.00 C ATOM 330 O SER A 24 3.251 5.472 17.574 1.00 0.00 O ATOM 331 CB SER A 24 5.453 6.222 16.077 1.00 0.00 C ATOM 332 OG SER A 24 6.189 6.976 15.122 1.00 0.00 O ATOM 0 H SER A 24 3.784 5.918 13.438 1.00 0.00 H new ATOM 0 HA SER A 24 4.726 4.574 14.921 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.052 6.889 16.840 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.118 5.522 16.583 1.00 0.00 H new ATOM 0 HG SER A 24 6.913 7.458 15.573 1.00 0.00 H new ATOM 338 N GLY A 25 2.483 4.005 16.056 1.00 0.00 N ATOM 339 CA GLY A 25 1.452 3.498 16.938 1.00 0.00 C ATOM 340 C GLY A 25 0.089 3.522 16.283 1.00 0.00 C ATOM 341 O GLY A 25 -0.933 3.345 16.945 1.00 0.00 O ATOM 0 H GLY A 25 2.521 3.557 15.140 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.696 2.477 17.232 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.428 4.095 17.849 1.00 0.00 H new ATOM 345 N SER A 26 0.077 3.748 14.980 1.00 0.00 N ATOM 346 CA SER A 26 -1.159 3.782 14.225 1.00 0.00 C ATOM 347 C SER A 26 -1.682 2.365 13.982 1.00 0.00 C ATOM 348 O SER A 26 -0.957 1.510 13.472 1.00 0.00 O ATOM 349 CB SER A 26 -0.924 4.498 12.892 1.00 0.00 C ATOM 350 OG SER A 26 0.431 4.913 12.772 1.00 0.00 O ATOM 0 H SER A 26 0.916 3.911 14.423 1.00 0.00 H new ATOM 0 HA SER A 26 -1.909 4.326 14.799 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.179 3.833 12.067 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.582 5.364 12.819 1.00 0.00 H new ATOM 0 HG SER A 26 0.690 4.915 11.827 1.00 0.00 H new ATOM 356 N ALA A 27 -2.926 2.120 14.371 1.00 0.00 N ATOM 357 CA ALA A 27 -3.567 0.840 14.114 1.00 0.00 C ATOM 358 C ALA A 27 -4.241 0.886 12.756 1.00 0.00 C ATOM 359 O ALA A 27 -4.066 -0.005 11.924 1.00 0.00 O ATOM 360 CB ALA A 27 -4.573 0.513 15.207 1.00 0.00 C ATOM 0 H ALA A 27 -3.511 2.793 14.866 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.814 0.052 14.114 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.041 -0.448 14.995 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.062 0.464 16.169 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.338 1.289 15.242 1.00 0.00 H new ATOM 366 N SER A 28 -5.013 1.941 12.543 1.00 0.00 N ATOM 367 CA SER A 28 -5.583 2.230 11.241 1.00 0.00 C ATOM 368 C SER A 28 -4.718 3.272 10.540 1.00 0.00 C ATOM 369 O SER A 28 -4.806 4.469 10.828 1.00 0.00 O ATOM 370 CB SER A 28 -7.020 2.730 11.396 1.00 0.00 C ATOM 371 OG SER A 28 -7.623 2.174 12.550 1.00 0.00 O ATOM 0 H SER A 28 -5.260 2.617 13.266 1.00 0.00 H new ATOM 0 HA SER A 28 -5.606 1.323 10.638 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.026 3.818 11.465 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.600 2.463 10.513 1.00 0.00 H new ATOM 0 HG SER A 28 -7.745 1.210 12.423 1.00 0.00 H new ATOM 377 N LEU A 29 -3.876 2.815 9.633 1.00 0.00 N ATOM 378 CA LEU A 29 -2.882 3.676 9.016 1.00 0.00 C ATOM 379 C LEU A 29 -3.378 4.227 7.687 1.00 0.00 C ATOM 380 O LEU A 29 -4.075 3.542 6.937 1.00 0.00 O ATOM 381 CB LEU A 29 -1.569 2.915 8.806 1.00 0.00 C ATOM 382 CG LEU A 29 -1.464 1.562 9.520 1.00 0.00 C ATOM 383 CD1 LEU A 29 -1.560 0.423 8.519 1.00 0.00 C ATOM 384 CD2 LEU A 29 -0.164 1.476 10.304 1.00 0.00 C ATOM 0 H LEU A 29 -3.860 1.849 9.305 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.706 4.514 9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.431 2.753 7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.746 3.547 9.141 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.295 1.475 10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.484 -0.530 9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.517 0.475 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.749 0.505 7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.105 0.510 10.805 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.680 1.584 9.622 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.134 2.273 11.047 1.00 0.00 H new ATOM 396 N GLY A 30 -3.024 5.476 7.411 1.00 0.00 N ATOM 397 CA GLY A 30 -3.362 6.085 6.141 1.00 0.00 C ATOM 398 C GLY A 30 -2.354 5.718 5.072 1.00 0.00 C ATOM 399 O GLY A 30 -1.330 6.383 4.920 1.00 0.00 O ATOM 0 H GLY A 30 -2.506 6.080 8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.356 5.762 5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.399 7.169 6.253 1.00 0.00 H new ATOM 403 N CYS A 31 -2.630 4.640 4.361 1.00 0.00 N ATOM 404 CA CYS A 31 -1.723 4.124 3.351 1.00 0.00 C ATOM 405 C CYS A 31 -2.103 4.605 1.957 1.00 0.00 C ATOM 406 O CYS A 31 -3.242 4.448 1.525 1.00 0.00 O ATOM 407 CB CYS A 31 -1.728 2.598 3.388 1.00 0.00 C ATOM 408 SG CYS A 31 -1.705 1.891 5.067 1.00 0.00 S ATOM 0 H CYS A 31 -3.488 4.098 4.467 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.724 4.498 3.574 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.614 2.236 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.861 2.230 2.839 1.00 0.00 H new ATOM 413 N VAL A 32 -1.149 5.203 1.264 1.00 0.00 N ATOM 414 CA VAL A 32 -1.335 5.576 -0.133 1.00 0.00 C ATOM 415 C VAL A 32 -0.576 4.595 -1.017 1.00 0.00 C ATOM 416 O VAL A 32 0.486 4.108 -0.629 1.00 0.00 O ATOM 417 CB VAL A 32 -0.844 7.013 -0.428 1.00 0.00 C ATOM 418 CG1 VAL A 32 -1.843 7.750 -1.306 1.00 0.00 C ATOM 419 CG2 VAL A 32 -0.600 7.785 0.862 1.00 0.00 C ATOM 0 H VAL A 32 -0.234 5.442 1.645 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.404 5.543 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 32 0.103 6.940 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.480 8.759 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.961 7.217 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.805 7.803 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.256 8.791 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.527 7.844 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.158 7.273 1.455 1.00 0.00 H new ATOM 429 N VAL A 33 -1.127 4.280 -2.182 1.00 0.00 N ATOM 430 CA VAL A 33 -0.487 3.341 -3.100 1.00 0.00 C ATOM 431 C VAL A 33 0.888 3.847 -3.537 1.00 0.00 C ATOM 432 O VAL A 33 1.045 5.002 -3.938 1.00 0.00 O ATOM 433 CB VAL A 33 -1.360 3.065 -4.352 1.00 0.00 C ATOM 434 CG1 VAL A 33 -1.780 4.365 -5.025 1.00 0.00 C ATOM 435 CG2 VAL A 33 -0.625 2.162 -5.340 1.00 0.00 C ATOM 0 H VAL A 33 -2.014 4.659 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.368 2.405 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.261 2.549 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.391 4.141 -5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.357 4.968 -4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.893 4.918 -5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.258 1.983 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.299 2.646 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.391 1.212 -4.860 1.00 0.00 H new ATOM 445 N GLY A 34 1.882 2.982 -3.422 1.00 0.00 N ATOM 446 CA GLY A 34 3.208 3.308 -3.882 1.00 0.00 C ATOM 447 C GLY A 34 3.275 3.370 -5.390 1.00 0.00 C ATOM 448 O GLY A 34 3.161 2.345 -6.068 1.00 0.00 O ATOM 0 H GLY A 34 1.789 2.052 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.513 4.267 -3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.914 2.562 -3.516 1.00 0.00 H new ATOM 452 N VAL A 35 3.438 4.572 -5.917 1.00 0.00 N ATOM 453 CA VAL A 35 3.526 4.769 -7.351 1.00 0.00 C ATOM 454 C VAL A 35 4.927 4.424 -7.838 1.00 0.00 C ATOM 455 O VAL A 35 5.879 4.383 -7.051 1.00 0.00 O ATOM 456 CB VAL A 35 3.178 6.219 -7.756 1.00 0.00 C ATOM 457 CG1 VAL A 35 2.558 6.248 -9.145 1.00 0.00 C ATOM 458 CG2 VAL A 35 2.237 6.854 -6.742 1.00 0.00 C ATOM 0 H VAL A 35 3.512 5.429 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 35 2.797 4.107 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 35 4.101 6.798 -7.774 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.319 7.276 -9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.264 5.838 -9.867 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.646 5.650 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.007 7.874 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.315 6.274 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.714 6.869 -5.762 1.00 0.00 H new ATOM 468 N ILE A 36 5.050 4.172 -9.131 1.00 0.00 N ATOM 469 CA ILE A 36 6.310 3.741 -9.714 1.00 0.00 C ATOM 470 C ILE A 36 7.357 4.846 -9.654 1.00 0.00 C ATOM 471 O ILE A 36 7.193 5.905 -10.259 1.00 0.00 O ATOM 472 CB ILE A 36 6.133 3.307 -11.185 1.00 0.00 C ATOM 473 CG1 ILE A 36 4.787 2.607 -11.387 1.00 0.00 C ATOM 474 CG2 ILE A 36 7.276 2.397 -11.611 1.00 0.00 C ATOM 475 CD1 ILE A 36 3.783 3.437 -12.156 1.00 0.00 C ATOM 0 H ILE A 36 4.286 4.259 -9.801 1.00 0.00 H new ATOM 0 HA ILE A 36 6.648 2.889 -9.125 1.00 0.00 H new ATOM 0 HB ILE A 36 6.149 4.200 -11.809 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.951 1.668 -11.916 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.368 2.355 -10.413 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.136 2.100 -12.650 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.222 2.929 -11.510 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.289 1.509 -10.979 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.853 2.878 -12.261 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.590 4.365 -11.618 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.182 3.667 -13.144 1.00 0.00 H new ATOM 487 N GLY A 37 8.428 4.590 -8.915 1.00 0.00 N ATOM 488 CA GLY A 37 9.516 5.539 -8.831 1.00 0.00 C ATOM 489 C GLY A 37 9.228 6.663 -7.862 1.00 0.00 C ATOM 490 O GLY A 37 9.791 7.750 -7.980 1.00 0.00 O ATOM 0 H GLY A 37 8.561 3.738 -8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.424 5.020 -8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.708 5.956 -9.820 1.00 0.00 H new ATOM 494 N SER A 38 8.342 6.412 -6.913 1.00 0.00 N ATOM 495 CA SER A 38 8.023 7.396 -5.894 1.00 0.00 C ATOM 496 C SER A 38 8.852 7.158 -4.638 1.00 0.00 C ATOM 497 O SER A 38 8.888 6.044 -4.109 1.00 0.00 O ATOM 498 CB SER A 38 6.533 7.346 -5.568 1.00 0.00 C ATOM 499 OG SER A 38 5.756 7.602 -6.727 1.00 0.00 O ATOM 0 H SER A 38 7.830 5.534 -6.827 1.00 0.00 H new ATOM 0 HA SER A 38 8.266 8.387 -6.278 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.277 6.367 -5.162 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.299 8.081 -4.798 1.00 0.00 H new ATOM 0 HG SER A 38 4.920 8.043 -6.469 1.00 0.00 H new ATOM 505 N GLN A 39 9.540 8.196 -4.185 1.00 0.00 N ATOM 506 CA GLN A 39 10.336 8.116 -2.970 1.00 0.00 C ATOM 507 C GLN A 39 9.445 8.286 -1.748 1.00 0.00 C ATOM 508 O GLN A 39 8.814 9.327 -1.565 1.00 0.00 O ATOM 509 CB GLN A 39 11.430 9.184 -2.976 1.00 0.00 C ATOM 510 CG GLN A 39 12.610 8.845 -3.872 1.00 0.00 C ATOM 511 CD GLN A 39 12.527 9.534 -5.217 1.00 0.00 C ATOM 512 OE1 GLN A 39 11.682 9.201 -6.045 1.00 0.00 O ATOM 513 NE2 GLN A 39 13.413 10.489 -5.451 1.00 0.00 N ATOM 0 H GLN A 39 9.562 9.107 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 39 10.809 7.135 -2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.999 10.131 -3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.789 9.330 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.536 9.134 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.652 7.766 -4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.098 10.735 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.411 10.979 -6.346 1.00 0.00 H new ATOM 522 N CYS A 40 9.391 7.263 -0.917 1.00 0.00 N ATOM 523 CA CYS A 40 8.514 7.274 0.240 1.00 0.00 C ATOM 524 C CYS A 40 9.300 7.156 1.538 1.00 0.00 C ATOM 525 O CYS A 40 10.297 6.431 1.615 1.00 0.00 O ATOM 526 CB CYS A 40 7.503 6.137 0.136 1.00 0.00 C ATOM 527 SG CYS A 40 5.768 6.678 0.246 1.00 0.00 S ATOM 0 H CYS A 40 9.944 6.412 -1.021 1.00 0.00 H new ATOM 0 HA CYS A 40 7.988 8.229 0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.652 5.617 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.699 5.416 0.930 1.00 0.00 H new ATOM 532 N GLY A 41 8.850 7.882 2.550 1.00 0.00 N ATOM 533 CA GLY A 41 9.491 7.832 3.843 1.00 0.00 C ATOM 534 C GLY A 41 8.546 7.381 4.938 1.00 0.00 C ATOM 535 O GLY A 41 8.879 7.449 6.123 1.00 0.00 O ATOM 0 H GLY A 41 8.047 8.508 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.342 7.152 3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.884 8.818 4.089 1.00 0.00 H new ATOM 539 N ALA A 42 7.361 6.932 4.548 1.00 0.00 N ATOM 540 CA ALA A 42 6.390 6.421 5.500 1.00 0.00 C ATOM 541 C ALA A 42 6.513 4.902 5.599 1.00 0.00 C ATOM 542 O ALA A 42 7.489 4.328 5.113 1.00 0.00 O ATOM 543 CB ALA A 42 4.984 6.836 5.094 1.00 0.00 C ATOM 0 H ALA A 42 7.050 6.912 3.577 1.00 0.00 H new ATOM 0 HA ALA A 42 6.591 6.846 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.267 6.446 5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.919 7.924 5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.758 6.436 4.106 1.00 0.00 H new ATOM 549 N SER A 43 5.541 4.251 6.218 1.00 0.00 N ATOM 550 CA SER A 43 5.593 2.806 6.378 1.00 0.00 C ATOM 551 C SER A 43 5.096 2.107 5.118 1.00 0.00 C ATOM 552 O SER A 43 3.893 2.053 4.867 1.00 0.00 O ATOM 553 CB SER A 43 4.754 2.368 7.582 1.00 0.00 C ATOM 554 OG SER A 43 4.479 3.461 8.441 1.00 0.00 O ATOM 0 H SER A 43 4.713 4.695 6.615 1.00 0.00 H new ATOM 0 HA SER A 43 6.631 2.522 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.818 1.930 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.284 1.592 8.135 1.00 0.00 H new ATOM 0 HG SER A 43 3.941 3.153 9.200 1.00 0.00 H new ATOM 560 N VAL A 44 6.026 1.591 4.325 1.00 0.00 N ATOM 561 CA VAL A 44 5.673 0.844 3.130 1.00 0.00 C ATOM 562 C VAL A 44 5.326 -0.586 3.510 1.00 0.00 C ATOM 563 O VAL A 44 6.210 -1.408 3.758 1.00 0.00 O ATOM 564 CB VAL A 44 6.809 0.845 2.088 1.00 0.00 C ATOM 565 CG1 VAL A 44 6.315 0.306 0.751 1.00 0.00 C ATOM 566 CG2 VAL A 44 7.384 2.246 1.922 1.00 0.00 C ATOM 0 H VAL A 44 7.029 1.677 4.489 1.00 0.00 H new ATOM 0 HA VAL A 44 4.811 1.333 2.675 1.00 0.00 H new ATOM 0 HB VAL A 44 7.602 0.189 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.133 0.316 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.957 -0.715 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.501 0.932 0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.184 2.226 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.599 2.924 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.781 2.592 2.876 1.00 0.00 H new ATOM 576 N LYS A 45 4.040 -0.869 3.581 1.00 0.00 N ATOM 577 CA LYS A 45 3.568 -2.172 4.008 1.00 0.00 C ATOM 578 C LYS A 45 2.871 -2.894 2.865 1.00 0.00 C ATOM 579 O LYS A 45 2.474 -2.277 1.874 1.00 0.00 O ATOM 580 CB LYS A 45 2.607 -2.021 5.185 1.00 0.00 C ATOM 581 CG LYS A 45 3.255 -1.457 6.440 1.00 0.00 C ATOM 582 CD LYS A 45 3.720 -2.568 7.367 1.00 0.00 C ATOM 583 CE LYS A 45 5.204 -2.458 7.668 1.00 0.00 C ATOM 584 NZ LYS A 45 5.830 -3.789 7.887 1.00 0.00 N ATOM 0 H LYS A 45 3.299 -0.209 3.347 1.00 0.00 H new ATOM 0 HA LYS A 45 4.430 -2.763 4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.784 -1.370 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.176 -2.995 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.104 -0.831 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.544 -0.817 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.155 -2.526 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.511 -3.535 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.705 -1.954 6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.349 -1.839 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.864 -3.685 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.493 -4.188 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.572 -4.427 7.107 1.00 0.00 H new ATOM 598 N CYS A 46 2.727 -4.199 3.008 1.00 0.00 N ATOM 599 CA CYS A 46 2.039 -5.002 2.016 1.00 0.00 C ATOM 600 C CYS A 46 0.639 -5.350 2.503 1.00 0.00 C ATOM 601 O CYS A 46 0.437 -6.346 3.205 1.00 0.00 O ATOM 602 CB CYS A 46 2.827 -6.278 1.715 1.00 0.00 C ATOM 603 SG CYS A 46 4.450 -5.986 0.939 1.00 0.00 S ATOM 0 H CYS A 46 3.080 -4.727 3.806 1.00 0.00 H new ATOM 0 HA CYS A 46 1.959 -4.422 1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.975 -6.829 2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.232 -6.913 1.059 1.00 0.00 H new ATOM 608 N CYS A 47 -0.323 -4.524 2.130 1.00 0.00 N ATOM 609 CA CYS A 47 -1.701 -4.730 2.534 1.00 0.00 C ATOM 610 C CYS A 47 -2.530 -5.146 1.332 1.00 0.00 C ATOM 611 O CYS A 47 -2.263 -4.719 0.205 1.00 0.00 O ATOM 612 CB CYS A 47 -2.273 -3.457 3.163 1.00 0.00 C ATOM 613 SG CYS A 47 -2.359 -3.504 4.983 1.00 0.00 S ATOM 0 H CYS A 47 -0.173 -3.701 1.546 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.735 -5.523 3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.661 -2.608 2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.274 -3.286 2.766 1.00 0.00 H new ATOM 618 N LYS A 48 -3.514 -6.000 1.564 1.00 0.00 N ATOM 619 CA LYS A 48 -4.342 -6.502 0.482 1.00 0.00 C ATOM 620 C LYS A 48 -5.440 -5.508 0.143 1.00 0.00 C ATOM 621 O LYS A 48 -5.827 -4.678 0.971 1.00 0.00 O ATOM 622 CB LYS A 48 -4.951 -7.860 0.840 1.00 0.00 C ATOM 623 CG LYS A 48 -5.410 -7.982 2.283 1.00 0.00 C ATOM 624 CD LYS A 48 -4.860 -9.240 2.938 1.00 0.00 C ATOM 625 CE LYS A 48 -5.435 -10.503 2.310 1.00 0.00 C ATOM 626 NZ LYS A 48 -4.391 -11.543 2.074 1.00 0.00 N ATOM 0 H LYS A 48 -3.757 -6.358 2.488 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.705 -6.633 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.801 -8.047 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.215 -8.639 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.085 -7.106 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.499 -7.998 2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.774 -9.251 2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.091 -9.226 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.209 -10.910 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.914 -10.250 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.357 -11.777 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.465 -11.180 2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.623 -12.398 2.619 1.00 0.00 H new ATOM 640 N ASP A 49 -5.931 -5.594 -1.080 1.00 0.00 N ATOM 641 CA ASP A 49 -7.006 -4.733 -1.546 1.00 0.00 C ATOM 642 C ASP A 49 -8.345 -5.240 -1.032 1.00 0.00 C ATOM 643 O ASP A 49 -9.173 -5.742 -1.790 1.00 0.00 O ATOM 644 CB ASP A 49 -7.013 -4.680 -3.072 1.00 0.00 C ATOM 645 CG ASP A 49 -7.705 -3.446 -3.605 1.00 0.00 C ATOM 646 OD1 ASP A 49 -7.552 -2.362 -2.998 1.00 0.00 O ATOM 647 OD2 ASP A 49 -8.379 -3.550 -4.649 1.00 0.00 O ATOM 0 H ASP A 49 -5.598 -6.260 -1.777 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.842 -3.727 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.987 -4.704 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.511 -5.568 -3.461 1.00 0.00 H new ATOM 652 N ASP A 50 -8.544 -5.108 0.272 1.00 0.00 N ATOM 653 CA ASP A 50 -9.765 -5.578 0.913 1.00 0.00 C ATOM 654 C ASP A 50 -10.903 -4.584 0.707 1.00 0.00 C ATOM 655 O ASP A 50 -12.031 -4.807 1.152 1.00 0.00 O ATOM 656 CB ASP A 50 -9.533 -5.811 2.407 1.00 0.00 C ATOM 657 CG ASP A 50 -9.605 -7.279 2.782 1.00 0.00 C ATOM 658 OD1 ASP A 50 -9.696 -8.129 1.873 1.00 0.00 O ATOM 659 OD2 ASP A 50 -9.571 -7.590 3.993 1.00 0.00 O ATOM 0 H ASP A 50 -7.873 -4.678 0.909 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.045 -6.524 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.557 -5.415 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.277 -5.256 2.978 1.00 0.00 H new ATOM 664 N VAL A 51 -10.598 -3.492 0.020 1.00 0.00 N ATOM 665 CA VAL A 51 -11.588 -2.474 -0.304 1.00 0.00 C ATOM 666 C VAL A 51 -11.854 -2.470 -1.806 1.00 0.00 C ATOM 667 O VAL A 51 -11.233 -3.225 -2.547 1.00 0.00 O ATOM 668 CB VAL A 51 -11.128 -1.068 0.132 1.00 0.00 C ATOM 669 CG1 VAL A 51 -11.142 -0.945 1.648 1.00 0.00 C ATOM 670 CG2 VAL A 51 -9.744 -0.762 -0.422 1.00 0.00 C ATOM 0 H VAL A 51 -9.661 -3.287 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.500 -2.718 0.240 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.827 -0.337 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.814 0.054 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.153 -1.115 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.469 -1.686 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.437 0.234 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.032 -1.498 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.771 -0.803 -1.511 1.00 0.00 H new ATOM 680 N THR A 52 -12.762 -1.617 -2.255 1.00 0.00 N ATOM 681 CA THR A 52 -13.103 -1.540 -3.667 1.00 0.00 C ATOM 682 C THR A 52 -12.147 -0.619 -4.427 1.00 0.00 C ATOM 683 O THR A 52 -12.576 0.184 -5.259 1.00 0.00 O ATOM 684 CB THR A 52 -14.546 -1.042 -3.843 1.00 0.00 C ATOM 685 OG1 THR A 52 -15.109 -0.725 -2.562 1.00 0.00 O ATOM 686 CG2 THR A 52 -15.400 -2.096 -4.525 1.00 0.00 C ATOM 0 H THR A 52 -13.277 -0.967 -1.661 1.00 0.00 H new ATOM 0 HA THR A 52 -13.011 -2.544 -4.080 1.00 0.00 H new ATOM 0 HB THR A 52 -14.528 -0.149 -4.468 1.00 0.00 H new ATOM 0 HG1 THR A 52 -16.028 -0.406 -2.679 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.417 -1.722 -4.639 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.984 -2.322 -5.507 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.412 -3.002 -3.919 1.00 0.00 H new ATOM 694 N ASN A 53 -10.851 -0.743 -4.124 1.00 0.00 N ATOM 695 CA ASN A 53 -9.800 0.047 -4.775 1.00 0.00 C ATOM 696 C ASN A 53 -10.135 1.542 -4.775 1.00 0.00 C ATOM 697 O ASN A 53 -9.908 2.244 -5.759 1.00 0.00 O ATOM 698 CB ASN A 53 -9.579 -0.446 -6.210 1.00 0.00 C ATOM 699 CG ASN A 53 -8.213 -0.068 -6.760 1.00 0.00 C ATOM 700 OD1 ASN A 53 -7.306 0.312 -6.016 1.00 0.00 O ATOM 701 ND2 ASN A 53 -8.053 -0.174 -8.068 1.00 0.00 N ATOM 0 H ASN A 53 -10.501 -1.394 -3.421 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.882 -0.087 -4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.689 -1.530 -6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.353 -0.030 -6.855 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.156 0.062 -8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.826 -0.492 -8.652 1.00 0.00 H new ATOM 708 N THR A 54 -10.675 2.025 -3.669 1.00 0.00 N ATOM 709 CA THR A 54 -11.094 3.414 -3.572 1.00 0.00 C ATOM 710 C THR A 54 -10.095 4.243 -2.767 1.00 0.00 C ATOM 711 O THR A 54 -10.401 4.730 -1.679 1.00 0.00 O ATOM 712 CB THR A 54 -12.492 3.516 -2.935 1.00 0.00 C ATOM 713 OG1 THR A 54 -13.220 2.302 -3.177 1.00 0.00 O ATOM 714 CG2 THR A 54 -13.262 4.699 -3.504 1.00 0.00 C ATOM 0 H THR A 54 -10.834 1.476 -2.824 1.00 0.00 H new ATOM 0 HA THR A 54 -11.134 3.815 -4.585 1.00 0.00 H new ATOM 0 HB THR A 54 -12.374 3.667 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.109 2.367 -2.770 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.246 4.750 -3.039 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.716 5.620 -3.301 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.376 4.575 -4.581 1.00 0.00 H new ATOM 722 N GLY A 55 -8.896 4.397 -3.308 1.00 0.00 N ATOM 723 CA GLY A 55 -7.885 5.198 -2.651 1.00 0.00 C ATOM 724 C GLY A 55 -7.938 6.644 -3.102 1.00 0.00 C ATOM 725 O GLY A 55 -7.167 7.055 -3.967 1.00 0.00 O ATOM 0 H GLY A 55 -8.605 3.980 -4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.025 5.148 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.899 4.786 -2.864 1.00 0.00 H new ATOM 729 N ASN A 56 -8.862 7.405 -2.523 1.00 0.00 N ATOM 730 CA ASN A 56 -9.051 8.806 -2.895 1.00 0.00 C ATOM 731 C ASN A 56 -7.977 9.688 -2.259 1.00 0.00 C ATOM 732 O ASN A 56 -6.969 10.003 -2.891 1.00 0.00 O ATOM 733 CB ASN A 56 -10.446 9.287 -2.482 1.00 0.00 C ATOM 734 CG ASN A 56 -11.134 10.102 -3.564 1.00 0.00 C ATOM 735 OD1 ASN A 56 -12.130 10.778 -3.309 1.00 0.00 O ATOM 736 ND2 ASN A 56 -10.615 10.046 -4.782 1.00 0.00 N ATOM 0 H ASN A 56 -9.493 7.075 -1.793 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.961 8.884 -3.978 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.064 8.424 -2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.364 9.889 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.042 10.574 -5.543 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.788 9.475 -4.958 1.00 0.00 H new ATOM 743 N SER A 57 -8.192 10.078 -1.009 1.00 0.00 N ATOM 744 CA SER A 57 -7.204 10.846 -0.258 1.00 0.00 C ATOM 745 C SER A 57 -6.150 9.909 0.325 1.00 0.00 C ATOM 746 O SER A 57 -5.185 10.336 0.962 1.00 0.00 O ATOM 747 CB SER A 57 -7.908 11.615 0.861 1.00 0.00 C ATOM 748 OG SER A 57 -9.203 11.081 1.091 1.00 0.00 O ATOM 0 H SER A 57 -9.046 9.874 -0.491 1.00 0.00 H new ATOM 0 HA SER A 57 -6.708 11.553 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.318 11.560 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.985 12.669 0.594 1.00 0.00 H new ATOM 0 HG SER A 57 -9.125 10.148 1.380 1.00 0.00 H new ATOM 754 N GLY A 58 -6.351 8.628 0.075 1.00 0.00 N ATOM 755 CA GLY A 58 -5.515 7.596 0.632 1.00 0.00 C ATOM 756 C GLY A 58 -6.359 6.404 0.995 1.00 0.00 C ATOM 757 O GLY A 58 -7.513 6.319 0.570 1.00 0.00 O ATOM 0 H GLY A 58 -7.101 8.280 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.749 7.306 -0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.997 7.970 1.515 1.00 0.00 H new ATOM 761 N LEU A 59 -5.814 5.487 1.764 1.00 0.00 N ATOM 762 CA LEU A 59 -6.578 4.346 2.222 1.00 0.00 C ATOM 763 C LEU A 59 -6.239 4.021 3.663 1.00 0.00 C ATOM 764 O LEU A 59 -5.150 3.531 3.961 1.00 0.00 O ATOM 765 CB LEU A 59 -6.319 3.132 1.329 1.00 0.00 C ATOM 766 CG LEU A 59 -7.412 2.852 0.297 1.00 0.00 C ATOM 767 CD1 LEU A 59 -6.971 1.768 -0.673 1.00 0.00 C ATOM 768 CD2 LEU A 59 -8.709 2.456 0.989 1.00 0.00 C ATOM 0 H LEU A 59 -4.846 5.508 2.085 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.637 4.599 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.374 3.278 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.201 2.252 1.961 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.589 3.765 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.764 1.585 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.070 2.091 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.763 0.850 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.476 2.260 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.545 1.557 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.036 3.267 1.640 1.00 0.00 H new ATOM 780 N ILE A 60 -7.164 4.316 4.563 1.00 0.00 N ATOM 781 CA ILE A 60 -6.982 3.990 5.963 1.00 0.00 C ATOM 782 C ILE A 60 -7.298 2.521 6.189 1.00 0.00 C ATOM 783 O ILE A 60 -8.466 2.124 6.262 1.00 0.00 O ATOM 784 CB ILE A 60 -7.858 4.869 6.882 1.00 0.00 C ATOM 785 CG1 ILE A 60 -7.487 6.345 6.715 1.00 0.00 C ATOM 786 CG2 ILE A 60 -7.706 4.442 8.337 1.00 0.00 C ATOM 787 CD1 ILE A 60 -8.337 7.287 7.544 1.00 0.00 C ATOM 0 H ILE A 60 -8.046 4.780 4.346 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.942 4.189 6.220 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.901 4.737 6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.440 6.480 6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.580 6.617 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.331 5.073 8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.014 3.402 8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.664 4.545 8.639 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.015 8.314 7.373 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.383 7.182 7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.225 7.043 8.601 1.00 0.00 H new ATOM 799 N ILE A 61 -6.253 1.720 6.260 1.00 0.00 N ATOM 800 CA ILE A 61 -6.387 0.287 6.452 1.00 0.00 C ATOM 801 C ILE A 61 -5.847 -0.101 7.818 1.00 0.00 C ATOM 802 O ILE A 61 -4.931 0.544 8.334 1.00 0.00 O ATOM 803 CB ILE A 61 -5.636 -0.507 5.357 1.00 0.00 C ATOM 804 CG1 ILE A 61 -5.875 0.112 3.979 1.00 0.00 C ATOM 805 CG2 ILE A 61 -6.065 -1.969 5.359 1.00 0.00 C ATOM 806 CD1 ILE A 61 -4.656 0.078 3.081 1.00 0.00 C ATOM 0 H ILE A 61 -5.288 2.042 6.186 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.446 0.039 6.385 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.570 -0.459 5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.692 -0.417 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.195 1.146 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.524 -2.508 4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.842 -2.412 6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.136 -2.034 5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.899 0.533 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.843 0.632 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.348 -0.956 2.925 1.00 0.00 H new ATOM 818 N ASN A 62 -6.424 -1.132 8.410 1.00 0.00 N ATOM 819 CA ASN A 62 -5.955 -1.620 9.695 1.00 0.00 C ATOM 820 C ASN A 62 -4.717 -2.482 9.494 1.00 0.00 C ATOM 821 O ASN A 62 -4.672 -3.316 8.588 1.00 0.00 O ATOM 822 CB ASN A 62 -7.051 -2.410 10.412 1.00 0.00 C ATOM 823 CG ASN A 62 -7.639 -1.636 11.581 1.00 0.00 C ATOM 824 OD1 ASN A 62 -7.623 -0.408 11.592 1.00 0.00 O ATOM 825 ND2 ASN A 62 -8.165 -2.341 12.572 1.00 0.00 N ATOM 0 H ASN A 62 -7.215 -1.646 8.023 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.697 -0.766 10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.843 -2.655 9.704 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.641 -3.354 10.772 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.573 -1.865 13.376 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.162 -3.360 12.531 1.00 0.00 H new ATOM 832 N ALA A 63 -3.720 -2.276 10.346 1.00 0.00 N ATOM 833 CA ALA A 63 -2.425 -2.948 10.223 1.00 0.00 C ATOM 834 C ALA A 63 -2.554 -4.469 10.225 1.00 0.00 C ATOM 835 O ALA A 63 -1.654 -5.173 9.762 1.00 0.00 O ATOM 836 CB ALA A 63 -1.499 -2.501 11.344 1.00 0.00 C ATOM 0 H ALA A 63 -3.783 -1.640 11.141 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.003 -2.663 9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.538 -3.006 11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.350 -1.423 11.285 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.944 -2.754 12.306 1.00 0.00 H new ATOM 842 N ALA A 64 -3.669 -4.970 10.740 1.00 0.00 N ATOM 843 CA ALA A 64 -3.925 -6.406 10.796 1.00 0.00 C ATOM 844 C ALA A 64 -4.059 -7.020 9.401 1.00 0.00 C ATOM 845 O ALA A 64 -3.944 -8.234 9.240 1.00 0.00 O ATOM 846 CB ALA A 64 -5.178 -6.686 11.615 1.00 0.00 C ATOM 0 H ALA A 64 -4.418 -4.398 11.129 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.066 -6.872 11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.358 -7.761 11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.042 -6.309 12.628 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.032 -6.190 11.154 1.00 0.00 H new ATOM 852 N ASN A 65 -4.303 -6.185 8.392 1.00 0.00 N ATOM 853 CA ASN A 65 -4.440 -6.676 7.020 1.00 0.00 C ATOM 854 C ASN A 65 -3.108 -6.602 6.283 1.00 0.00 C ATOM 855 O ASN A 65 -3.002 -6.993 5.119 1.00 0.00 O ATOM 856 CB ASN A 65 -5.494 -5.873 6.254 1.00 0.00 C ATOM 857 CG ASN A 65 -6.611 -6.746 5.721 1.00 0.00 C ATOM 858 OD1 ASN A 65 -6.429 -7.942 5.499 1.00 0.00 O ATOM 859 ND2 ASN A 65 -7.778 -6.155 5.514 1.00 0.00 N ATOM 0 H ASN A 65 -4.409 -5.176 8.495 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.759 -7.717 7.073 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.914 -5.111 6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.017 -5.351 5.424 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.567 -6.695 5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.888 -5.160 5.711 1.00 0.00 H new ATOM 866 N CYS A 66 -2.096 -6.094 6.968 1.00 0.00 N ATOM 867 CA CYS A 66 -0.767 -5.966 6.397 1.00 0.00 C ATOM 868 C CYS A 66 0.114 -7.107 6.889 1.00 0.00 C ATOM 869 O CYS A 66 0.566 -7.108 8.035 1.00 0.00 O ATOM 870 CB CYS A 66 -0.156 -4.618 6.784 1.00 0.00 C ATOM 871 SG CYS A 66 -0.426 -3.286 5.563 1.00 0.00 S ATOM 0 H CYS A 66 -2.173 -5.761 7.929 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.837 -6.015 5.310 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -0.573 -4.306 7.742 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.916 -4.748 6.930 1.00 0.00 H new ATOM 876 N VAL A 67 0.343 -8.083 6.024 1.00 0.00 N ATOM 877 CA VAL A 67 1.095 -9.276 6.398 1.00 0.00 C ATOM 878 C VAL A 67 2.587 -8.988 6.491 1.00 0.00 C ATOM 879 O VAL A 67 3.308 -9.633 7.254 1.00 0.00 O ATOM 880 CB VAL A 67 0.875 -10.421 5.392 1.00 0.00 C ATOM 881 CG1 VAL A 67 -0.505 -11.034 5.576 1.00 0.00 C ATOM 882 CG2 VAL A 67 1.065 -9.930 3.965 1.00 0.00 C ATOM 0 H VAL A 67 0.019 -8.075 5.057 1.00 0.00 H new ATOM 0 HA VAL A 67 0.724 -9.580 7.377 1.00 0.00 H new ATOM 0 HB VAL A 67 1.620 -11.194 5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.643 -11.841 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.595 -11.430 6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.266 -10.271 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.905 -10.756 3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.349 -9.136 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.078 -9.546 3.844 1.00 0.00 H new ATOM 892 N ALA A 68 3.039 -8.028 5.706 1.00 0.00 N ATOM 893 CA ALA A 68 4.437 -7.644 5.685 1.00 0.00 C ATOM 894 C ALA A 68 4.551 -6.133 5.627 1.00 0.00 C ATOM 895 O ALA A 68 5.600 -5.594 6.030 1.00 0.00 O ATOM 896 CB ALA A 68 5.149 -8.279 4.500 1.00 0.00 C ATOM 897 OXT ALA A 68 3.578 -5.492 5.182 1.00 0.00 O ATOM 0 H ALA A 68 2.449 -7.494 5.067 1.00 0.00 H new ATOM 0 HA ALA A 68 4.915 -8.001 6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.197 -7.979 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.082 -9.364 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.679 -7.949 3.574 1.00 0.00 H new TER 903 ALA A 68