USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 638 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 66 GLN : amide:sc= -1.49! C(o=-0.39!,f=-8.7!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 163:sc= 1.1 (180deg=0) USER MOD Set 2.1: A 40 ASN : amide:sc= 1.36 K(o=2.5,f=-3.4) USER MOD Set 2.2: A 52 GLN : amide:sc= 1.19 K(o=2.5,f=-1.8) USER MOD Set 3.1: A 42 SER OG : rot 180:sc= -0.0284 USER MOD Set 3.2: A 84 MET CE :methyl 174:sc= -2.36! (180deg=-2.24!) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.0175 K(o=0.24,f=-0.58) USER MOD Set 4.2: A 25 LYS NZ :NH3+ -115:sc= 0.259 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0775 X(o=-0.077,f=-0.091) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00468 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -139:sc= -1.32 (180deg=-2.38) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.274 X(o=0.27,f=-0.064) USER MOD Single : A 38 MET CE :methyl -114:sc= -0.621 (180deg=-2.54) USER MOD Single : A 45 SER OG : rot 46:sc= 1.19 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 0.781 (180deg=0.573) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.989 K(o=0.99,f=-0.1) USER MOD Single : A 73 GLN : amide:sc= -0.0534 K(o=-0.053,f=-0.57) USER MOD Single : A 74 MET CE :methyl -134:sc= -0.168 (180deg=-0.721) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 70:sc= 0.293 USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= -0.0179 (180deg=-0.168) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 10.568 -20.243 0.846 1.00 0.00 N ATOM 2 CA ASN A 7 11.763 -20.186 0.001 1.00 0.00 C ATOM 3 C ASN A 7 11.562 -19.222 -1.163 1.00 0.00 C ATOM 4 O ASN A 7 12.489 -18.511 -1.558 1.00 0.00 O ATOM 5 CB ASN A 7 12.138 -21.584 -0.523 1.00 0.00 C ATOM 6 CG ASN A 7 11.027 -22.234 -1.327 1.00 0.00 C ATOM 7 OD1 ASN A 7 10.941 -22.074 -2.544 1.00 0.00 O ATOM 8 ND2 ASN A 7 10.174 -22.974 -0.653 1.00 0.00 N ATOM 0 HA ASN A 7 12.585 -19.819 0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 7 13.030 -21.506 -1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.392 -22.226 0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.408 -23.440 -1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.279 -23.082 0.356 1.00 0.00 H new ATOM 15 N GLY A 8 10.354 -19.194 -1.694 1.00 0.00 N ATOM 16 CA GLY A 8 10.034 -18.304 -2.778 1.00 0.00 C ATOM 17 C GLY A 8 9.204 -17.146 -2.292 1.00 0.00 C ATOM 18 O GLY A 8 7.977 -17.178 -2.365 1.00 0.00 O ATOM 0 H GLY A 8 9.580 -19.783 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.952 -17.933 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.491 -18.847 -3.552 1.00 0.00 H new ATOM 22 N LEU A 9 9.872 -16.137 -1.775 1.00 0.00 N ATOM 23 CA LEU A 9 9.204 -14.975 -1.229 1.00 0.00 C ATOM 24 C LEU A 9 8.742 -14.044 -2.340 1.00 0.00 C ATOM 25 O LEU A 9 9.554 -13.579 -3.145 1.00 0.00 O ATOM 26 CB LEU A 9 10.127 -14.216 -0.255 1.00 0.00 C ATOM 27 CG LEU A 9 10.459 -14.923 1.075 1.00 0.00 C ATOM 28 CD1 LEU A 9 11.343 -16.146 0.853 1.00 0.00 C ATOM 29 CD2 LEU A 9 11.123 -13.954 2.040 1.00 0.00 C ATOM 0 H LEU A 9 10.890 -16.099 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 9 8.330 -15.323 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.064 -14.002 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.664 -13.257 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 9 9.521 -15.267 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.557 -16.619 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.827 -16.855 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 9 12.278 -15.839 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.351 -14.469 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 9 12.046 -13.577 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.449 -13.121 2.240 1.00 0.00 H new ATOM 41 N PRO A 10 7.427 -13.780 -2.415 1.00 0.00 N ATOM 42 CA PRO A 10 6.857 -12.869 -3.411 1.00 0.00 C ATOM 43 C PRO A 10 7.462 -11.470 -3.308 1.00 0.00 C ATOM 44 O PRO A 10 7.875 -11.037 -2.226 1.00 0.00 O ATOM 45 CB PRO A 10 5.367 -12.831 -3.055 1.00 0.00 C ATOM 46 CG PRO A 10 5.125 -14.091 -2.302 1.00 0.00 C ATOM 47 CD PRO A 10 6.389 -14.364 -1.547 1.00 0.00 C ATOM 0 HA PRO A 10 7.052 -13.201 -4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.127 -11.956 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.747 -12.780 -3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.279 -13.984 -1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.889 -14.912 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.379 -13.899 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.545 -15.432 -1.394 1.00 0.00 H new ATOM 55 N SER A 11 7.504 -10.772 -4.429 1.00 0.00 N ATOM 56 CA SER A 11 8.085 -9.440 -4.501 1.00 0.00 C ATOM 57 C SER A 11 7.447 -8.494 -3.479 1.00 0.00 C ATOM 58 O SER A 11 8.138 -7.863 -2.691 1.00 0.00 O ATOM 59 CB SER A 11 7.909 -8.888 -5.910 1.00 0.00 C ATOM 60 OG SER A 11 8.330 -9.843 -6.878 1.00 0.00 O ATOM 0 H SER A 11 7.136 -11.112 -5.317 1.00 0.00 H new ATOM 0 HA SER A 11 9.146 -9.513 -4.264 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.863 -8.629 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.486 -7.970 -6.022 1.00 0.00 H new ATOM 0 HG SER A 11 8.208 -9.473 -7.777 1.00 0.00 H new ATOM 66 N GLU A 12 6.128 -8.444 -3.467 1.00 0.00 N ATOM 67 CA GLU A 12 5.396 -7.559 -2.565 1.00 0.00 C ATOM 68 C GLU A 12 5.534 -7.987 -1.101 1.00 0.00 C ATOM 69 O GLU A 12 5.156 -7.249 -0.195 1.00 0.00 O ATOM 70 CB GLU A 12 3.908 -7.452 -2.962 1.00 0.00 C ATOM 71 CG GLU A 12 3.211 -8.786 -3.235 1.00 0.00 C ATOM 72 CD GLU A 12 3.522 -9.341 -4.611 1.00 0.00 C ATOM 73 OE1 GLU A 12 2.838 -8.956 -5.578 1.00 0.00 O ATOM 74 OE2 GLU A 12 4.455 -10.149 -4.733 1.00 0.00 O ATOM 0 H GLU A 12 5.534 -9.008 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 12 5.847 -6.571 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.372 -6.936 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.830 -6.830 -3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.514 -9.510 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.133 -8.655 -3.136 1.00 0.00 H new ATOM 81 N THR A 13 6.098 -9.157 -0.877 1.00 0.00 N ATOM 82 CA THR A 13 6.275 -9.678 0.462 1.00 0.00 C ATOM 83 C THR A 13 7.699 -9.391 0.953 1.00 0.00 C ATOM 84 O THR A 13 7.956 -9.275 2.149 1.00 0.00 O ATOM 85 CB THR A 13 6.022 -11.205 0.477 1.00 0.00 C ATOM 86 OG1 THR A 13 4.696 -11.482 -0.001 1.00 0.00 O ATOM 87 CG2 THR A 13 6.194 -11.789 1.873 1.00 0.00 C ATOM 0 H THR A 13 6.445 -9.770 -1.615 1.00 0.00 H new ATOM 0 HA THR A 13 5.560 -9.189 1.124 1.00 0.00 H new ATOM 0 HB THR A 13 6.758 -11.672 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.540 -12.450 0.008 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.008 -12.863 1.844 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.210 -11.606 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.486 -11.317 2.555 1.00 0.00 H new ATOM 95 N TYR A 14 8.607 -9.240 0.009 1.00 0.00 N ATOM 96 CA TYR A 14 10.006 -9.039 0.310 1.00 0.00 C ATOM 97 C TYR A 14 10.380 -7.556 0.209 1.00 0.00 C ATOM 98 O TYR A 14 11.477 -7.147 0.600 1.00 0.00 O ATOM 99 CB TYR A 14 10.842 -9.880 -0.664 1.00 0.00 C ATOM 100 CG TYR A 14 12.320 -9.877 -0.388 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.839 -10.555 0.703 1.00 0.00 C ATOM 102 CD2 TYR A 14 13.197 -9.198 -1.219 1.00 0.00 C ATOM 103 CE1 TYR A 14 14.190 -10.557 0.961 1.00 0.00 C ATOM 104 CE2 TYR A 14 14.550 -9.194 -0.971 1.00 0.00 C ATOM 105 CZ TYR A 14 15.044 -9.876 0.121 1.00 0.00 C ATOM 106 OH TYR A 14 16.398 -9.876 0.375 1.00 0.00 O ATOM 0 H TYR A 14 8.393 -9.254 -0.988 1.00 0.00 H new ATOM 0 HA TYR A 14 10.208 -9.355 1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.483 -10.909 -0.635 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.674 -9.512 -1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.172 -11.091 1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.812 -8.664 -2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.579 -11.089 1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.221 -8.660 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 14 16.860 -9.351 -0.312 1.00 0.00 H new ATOM 116 N ILE A 15 9.455 -6.757 -0.284 1.00 0.00 N ATOM 117 CA ILE A 15 9.703 -5.352 -0.502 1.00 0.00 C ATOM 118 C ILE A 15 8.954 -4.514 0.510 1.00 0.00 C ATOM 119 O ILE A 15 7.885 -4.892 0.974 1.00 0.00 O ATOM 120 CB ILE A 15 9.324 -4.941 -1.958 1.00 0.00 C ATOM 121 CG1 ILE A 15 10.198 -5.706 -2.954 1.00 0.00 C ATOM 122 CG2 ILE A 15 9.450 -3.438 -2.182 1.00 0.00 C ATOM 123 CD1 ILE A 15 11.672 -5.672 -2.614 1.00 0.00 C ATOM 0 H ILE A 15 8.517 -7.064 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 15 10.769 -5.169 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 15 8.277 -5.200 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.866 -6.744 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.053 -5.286 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.176 -3.199 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.785 -2.911 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.479 -3.128 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 15 12.231 -6.234 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 15 12.019 -4.639 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.829 -6.119 -1.632 1.00 0.00 H new ATOM 135 N THR A 16 9.529 -3.389 0.857 1.00 0.00 N ATOM 136 CA THR A 16 8.955 -2.503 1.829 1.00 0.00 C ATOM 137 C THR A 16 8.212 -1.376 1.114 1.00 0.00 C ATOM 138 O THR A 16 8.583 -0.998 0.001 1.00 0.00 O ATOM 139 CB THR A 16 10.065 -1.923 2.713 1.00 0.00 C ATOM 140 OG1 THR A 16 10.978 -2.972 3.062 1.00 0.00 O ATOM 141 CG2 THR A 16 9.488 -1.339 3.974 1.00 0.00 C ATOM 0 H THR A 16 10.414 -3.064 0.468 1.00 0.00 H new ATOM 0 HA THR A 16 8.252 -3.052 2.456 1.00 0.00 H new ATOM 0 HB THR A 16 10.579 -1.135 2.162 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.693 -2.609 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.292 -0.933 4.588 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.788 -0.543 3.719 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.965 -2.118 4.530 1.00 0.00 H new ATOM 149 N CYS A 17 7.175 -0.836 1.743 1.00 0.00 N ATOM 150 CA CYS A 17 6.373 0.203 1.106 1.00 0.00 C ATOM 151 C CYS A 17 7.201 1.472 0.862 1.00 0.00 C ATOM 152 O CYS A 17 6.915 2.240 -0.053 1.00 0.00 O ATOM 153 CB CYS A 17 5.125 0.520 1.931 1.00 0.00 C ATOM 154 SG CYS A 17 5.350 1.823 3.175 1.00 0.00 S ATOM 0 H CYS A 17 6.872 -1.096 2.682 1.00 0.00 H new ATOM 0 HA CYS A 17 6.049 -0.179 0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.324 0.817 1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.797 -0.390 2.433 1.00 0.00 H new ATOM 159 N ALA A 18 8.240 1.673 1.675 1.00 0.00 N ATOM 160 CA ALA A 18 9.127 2.820 1.509 1.00 0.00 C ATOM 161 C ALA A 18 9.886 2.704 0.197 1.00 0.00 C ATOM 162 O ALA A 18 10.044 3.683 -0.537 1.00 0.00 O ATOM 163 CB ALA A 18 10.099 2.918 2.674 1.00 0.00 C ATOM 0 H ALA A 18 8.485 1.058 2.451 1.00 0.00 H new ATOM 0 HA ALA A 18 8.523 3.727 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.752 3.779 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.542 3.034 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.701 2.011 2.723 1.00 0.00 H new ATOM 169 N GLU A 19 10.331 1.490 -0.104 1.00 0.00 N ATOM 170 CA GLU A 19 11.048 1.217 -1.335 1.00 0.00 C ATOM 171 C GLU A 19 10.081 1.261 -2.513 1.00 0.00 C ATOM 172 O GLU A 19 10.464 1.582 -3.637 1.00 0.00 O ATOM 173 CB GLU A 19 11.733 -0.149 -1.264 1.00 0.00 C ATOM 174 CG GLU A 19 12.661 -0.430 -2.434 1.00 0.00 C ATOM 175 CD GLU A 19 13.176 -1.848 -2.441 1.00 0.00 C ATOM 176 OE1 GLU A 19 14.143 -2.141 -1.708 1.00 0.00 O ATOM 177 OE2 GLU A 19 12.623 -2.673 -3.185 1.00 0.00 O ATOM 0 H GLU A 19 10.204 0.675 0.496 1.00 0.00 H new ATOM 0 HA GLU A 19 11.815 1.979 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.303 -0.212 -0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.970 -0.926 -1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.132 -0.235 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.505 0.259 -2.396 1.00 0.00 H new ATOM 184 N ALA A 20 8.816 0.946 -2.243 1.00 0.00 N ATOM 185 CA ALA A 20 7.795 0.990 -3.267 1.00 0.00 C ATOM 186 C ALA A 20 7.585 2.430 -3.709 1.00 0.00 C ATOM 187 O ALA A 20 7.301 2.707 -4.870 1.00 0.00 O ATOM 188 CB ALA A 20 6.495 0.386 -2.756 1.00 0.00 C ATOM 0 H ALA A 20 8.482 0.659 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 20 8.121 0.399 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.740 0.429 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.664 -0.653 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.149 0.948 -1.889 1.00 0.00 H new ATOM 194 N ASN A 21 7.780 3.341 -2.770 1.00 0.00 N ATOM 195 CA ASN A 21 7.655 4.764 -3.039 1.00 0.00 C ATOM 196 C ASN A 21 8.820 5.194 -3.913 1.00 0.00 C ATOM 197 O ASN A 21 8.671 5.994 -4.830 1.00 0.00 O ATOM 198 CB ASN A 21 7.647 5.558 -1.729 1.00 0.00 C ATOM 199 CG ASN A 21 7.465 7.051 -1.942 1.00 0.00 C ATOM 200 OD1 ASN A 21 6.814 7.483 -2.889 1.00 0.00 O ATOM 201 ND2 ASN A 21 8.051 7.845 -1.068 1.00 0.00 N ATOM 0 H ASN A 21 8.028 3.117 -1.806 1.00 0.00 H new ATOM 0 HA ASN A 21 6.715 4.961 -3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.845 5.187 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.583 5.383 -1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.972 8.857 -1.165 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.583 7.447 -0.294 1.00 0.00 H new ATOM 208 N GLU A 22 9.989 4.666 -3.588 1.00 0.00 N ATOM 209 CA GLU A 22 11.189 4.887 -4.376 1.00 0.00 C ATOM 210 C GLU A 22 10.975 4.450 -5.833 1.00 0.00 C ATOM 211 O GLU A 22 11.358 5.161 -6.766 1.00 0.00 O ATOM 212 CB GLU A 22 12.367 4.134 -3.758 1.00 0.00 C ATOM 213 CG GLU A 22 13.701 4.450 -4.399 1.00 0.00 C ATOM 214 CD GLU A 22 14.017 5.925 -4.359 1.00 0.00 C ATOM 215 OE1 GLU A 22 14.225 6.463 -3.253 1.00 0.00 O ATOM 216 OE2 GLU A 22 14.066 6.557 -5.433 1.00 0.00 O ATOM 0 H GLU A 22 10.132 4.073 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 22 11.413 5.954 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.420 4.371 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.182 3.063 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.488 3.897 -3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.695 4.109 -5.434 1.00 0.00 H new ATOM 223 N MET A 23 10.359 3.284 -6.023 1.00 0.00 N ATOM 224 CA MET A 23 10.079 2.782 -7.371 1.00 0.00 C ATOM 225 C MET A 23 9.163 3.742 -8.121 1.00 0.00 C ATOM 226 O MET A 23 9.347 3.974 -9.302 1.00 0.00 O ATOM 227 CB MET A 23 9.434 1.391 -7.333 1.00 0.00 C ATOM 228 CG MET A 23 10.230 0.344 -6.574 1.00 0.00 C ATOM 229 SD MET A 23 9.624 -1.337 -6.860 1.00 0.00 S ATOM 230 CE MET A 23 7.863 -1.138 -6.581 1.00 0.00 C ATOM 0 H MET A 23 10.046 2.673 -5.269 1.00 0.00 H new ATOM 0 HA MET A 23 11.034 2.707 -7.891 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.446 1.476 -6.880 1.00 0.00 H new ATOM 0 HB3 MET A 23 9.287 1.045 -8.356 1.00 0.00 H new ATOM 0 HG2 MET A 23 11.277 0.404 -6.871 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.188 0.564 -5.507 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.484 -1.993 -6.021 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.686 -0.225 -6.013 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.348 -1.075 -7.539 1.00 0.00 H new ATOM 240 N ALA A 24 8.160 4.264 -7.410 1.00 0.00 N ATOM 241 CA ALA A 24 7.196 5.242 -7.954 1.00 0.00 C ATOM 242 C ALA A 24 7.870 6.397 -8.719 1.00 0.00 C ATOM 243 O ALA A 24 7.260 6.997 -9.598 1.00 0.00 O ATOM 244 CB ALA A 24 6.307 5.787 -6.846 1.00 0.00 C ATOM 0 H ALA A 24 7.987 4.023 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 24 6.585 4.704 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.603 6.506 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.757 4.967 -6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.924 6.279 -6.094 1.00 0.00 H new ATOM 250 N LYS A 25 9.118 6.705 -8.383 1.00 0.00 N ATOM 251 CA LYS A 25 9.855 7.757 -9.093 1.00 0.00 C ATOM 252 C LYS A 25 10.138 7.328 -10.527 1.00 0.00 C ATOM 253 O LYS A 25 10.192 8.148 -11.439 1.00 0.00 O ATOM 254 CB LYS A 25 11.174 8.102 -8.382 1.00 0.00 C ATOM 255 CG LYS A 25 11.038 9.068 -7.211 1.00 0.00 C ATOM 256 CD LYS A 25 10.244 8.471 -6.069 1.00 0.00 C ATOM 257 CE LYS A 25 10.113 9.450 -4.921 1.00 0.00 C ATOM 258 NZ LYS A 25 9.297 8.896 -3.820 1.00 0.00 N ATOM 0 H LYS A 25 9.640 6.251 -7.634 1.00 0.00 H new ATOM 0 HA LYS A 25 9.230 8.650 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.628 7.179 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.861 8.532 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.030 9.347 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.552 9.983 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.253 8.186 -6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.732 7.561 -5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.104 9.706 -4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.660 10.374 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.426 9.455 -3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.052 7.908 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.838 8.935 -2.933 1.00 0.00 H new ATOM 272 N THR A 26 10.310 6.038 -10.710 1.00 0.00 N ATOM 273 CA THR A 26 10.557 5.469 -12.013 1.00 0.00 C ATOM 274 C THR A 26 9.244 4.965 -12.612 1.00 0.00 C ATOM 275 O THR A 26 8.960 5.173 -13.791 1.00 0.00 O ATOM 276 CB THR A 26 11.555 4.295 -11.907 1.00 0.00 C ATOM 277 OG1 THR A 26 12.726 4.726 -11.203 1.00 0.00 O ATOM 278 CG2 THR A 26 11.955 3.786 -13.284 1.00 0.00 C ATOM 0 H THR A 26 10.282 5.352 -9.955 1.00 0.00 H new ATOM 0 HA THR A 26 10.983 6.240 -12.655 1.00 0.00 H new ATOM 0 HB THR A 26 11.069 3.482 -11.367 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.359 3.981 -11.134 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.658 2.960 -13.176 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.068 3.441 -13.816 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.426 4.592 -13.847 1.00 0.00 H new ATOM 286 N ASP A 27 8.442 4.323 -11.779 1.00 0.00 N ATOM 287 CA ASP A 27 7.173 3.763 -12.200 1.00 0.00 C ATOM 288 C ASP A 27 6.076 4.048 -11.185 1.00 0.00 C ATOM 289 O ASP A 27 5.743 3.198 -10.356 1.00 0.00 O ATOM 290 CB ASP A 27 7.295 2.261 -12.420 1.00 0.00 C ATOM 291 CG ASP A 27 7.703 1.903 -13.831 1.00 0.00 C ATOM 292 OD1 ASP A 27 6.839 1.953 -14.727 1.00 0.00 O ATOM 293 OD2 ASP A 27 8.879 1.551 -14.052 1.00 0.00 O ATOM 0 H ASP A 27 8.654 4.176 -10.792 1.00 0.00 H new ATOM 0 HA ASP A 27 6.901 4.241 -13.141 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.027 1.855 -11.722 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.340 1.787 -12.192 1.00 0.00 H new ATOM 298 N SER A 28 5.540 5.247 -11.241 1.00 0.00 N ATOM 299 CA SER A 28 4.471 5.660 -10.346 1.00 0.00 C ATOM 300 C SER A 28 3.215 4.813 -10.566 1.00 0.00 C ATOM 301 O SER A 28 2.607 4.329 -9.609 1.00 0.00 O ATOM 302 CB SER A 28 4.161 7.149 -10.550 1.00 0.00 C ATOM 303 OG SER A 28 3.181 7.610 -9.633 1.00 0.00 O ATOM 0 H SER A 28 5.829 5.965 -11.905 1.00 0.00 H new ATOM 0 HA SER A 28 4.802 5.507 -9.319 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.075 7.731 -10.430 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.811 7.312 -11.569 1.00 0.00 H new ATOM 0 HG SER A 28 3.009 8.562 -9.790 1.00 0.00 H new ATOM 309 N ALA A 29 2.854 4.606 -11.829 1.00 0.00 N ATOM 310 CA ALA A 29 1.658 3.844 -12.172 1.00 0.00 C ATOM 311 C ALA A 29 1.767 2.390 -11.724 1.00 0.00 C ATOM 312 O ALA A 29 0.767 1.765 -11.382 1.00 0.00 O ATOM 313 CB ALA A 29 1.384 3.922 -13.666 1.00 0.00 C ATOM 0 H ALA A 29 3.374 4.956 -12.633 1.00 0.00 H new ATOM 0 HA ALA A 29 0.820 4.291 -11.638 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.488 3.348 -13.902 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.234 4.962 -13.955 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.233 3.512 -14.213 1.00 0.00 H new ATOM 319 N GLN A 30 2.984 1.860 -11.710 1.00 0.00 N ATOM 320 CA GLN A 30 3.204 0.478 -11.303 1.00 0.00 C ATOM 321 C GLN A 30 2.926 0.304 -9.815 1.00 0.00 C ATOM 322 O GLN A 30 2.308 -0.672 -9.399 1.00 0.00 O ATOM 323 CB GLN A 30 4.639 0.047 -11.617 1.00 0.00 C ATOM 324 CG GLN A 30 4.945 -1.404 -11.268 1.00 0.00 C ATOM 325 CD GLN A 30 4.073 -2.385 -12.027 1.00 0.00 C ATOM 326 OE1 GLN A 30 4.423 -2.826 -13.120 1.00 0.00 O ATOM 327 NE2 GLN A 30 2.934 -2.729 -11.455 1.00 0.00 N ATOM 0 H GLN A 30 3.830 2.364 -11.975 1.00 0.00 H new ATOM 0 HA GLN A 30 2.515 -0.153 -11.865 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.829 0.201 -12.679 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.328 0.693 -11.073 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.993 -1.612 -11.485 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.805 -1.553 -10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.681 -2.340 -10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.307 -3.384 -11.921 1.00 0.00 H new ATOM 336 N VAL A 31 3.360 1.270 -9.029 1.00 0.00 N ATOM 337 CA VAL A 31 3.198 1.216 -7.587 1.00 0.00 C ATOM 338 C VAL A 31 1.771 1.555 -7.203 1.00 0.00 C ATOM 339 O VAL A 31 1.206 0.965 -6.280 1.00 0.00 O ATOM 340 CB VAL A 31 4.166 2.188 -6.885 1.00 0.00 C ATOM 341 CG1 VAL A 31 4.033 2.094 -5.370 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.592 1.906 -7.317 1.00 0.00 C ATOM 0 H VAL A 31 3.831 2.109 -9.367 1.00 0.00 H new ATOM 0 HA VAL A 31 3.427 0.201 -7.263 1.00 0.00 H new ATOM 0 HB VAL A 31 3.906 3.205 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.727 2.790 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.013 2.346 -5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.263 1.079 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.268 2.598 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.857 0.883 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.677 2.034 -8.396 1.00 0.00 H new ATOM 352 N ALA A 32 1.176 2.463 -7.955 1.00 0.00 N ATOM 353 CA ALA A 32 -0.176 2.905 -7.688 1.00 0.00 C ATOM 354 C ALA A 32 -1.152 1.792 -8.006 1.00 0.00 C ATOM 355 O ALA A 32 -2.191 1.660 -7.370 1.00 0.00 O ATOM 356 CB ALA A 32 -0.499 4.144 -8.502 1.00 0.00 C ATOM 0 H ALA A 32 1.614 2.910 -8.761 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.263 3.159 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.519 4.463 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.194 4.943 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.404 3.917 -9.564 1.00 0.00 H new ATOM 362 N GLU A 33 -0.797 0.984 -8.987 1.00 0.00 N ATOM 363 CA GLU A 33 -1.622 -0.125 -9.390 1.00 0.00 C ATOM 364 C GLU A 33 -1.604 -1.217 -8.324 1.00 0.00 C ATOM 365 O GLU A 33 -2.644 -1.758 -7.967 1.00 0.00 O ATOM 366 CB GLU A 33 -1.129 -0.694 -10.717 1.00 0.00 C ATOM 367 CG GLU A 33 -2.185 -1.467 -11.478 1.00 0.00 C ATOM 368 CD GLU A 33 -3.286 -0.566 -11.991 1.00 0.00 C ATOM 369 OE1 GLU A 33 -4.236 -0.281 -11.233 1.00 0.00 O ATOM 370 OE2 GLU A 33 -3.204 -0.130 -13.155 1.00 0.00 O ATOM 0 H GLU A 33 0.067 1.082 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.644 0.233 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.769 0.124 -11.342 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.278 -1.348 -10.528 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.721 -1.986 -12.317 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.614 -2.230 -10.829 1.00 0.00 H new ATOM 377 N ILE A 34 -0.417 -1.502 -7.786 1.00 0.00 N ATOM 378 CA ILE A 34 -0.254 -2.573 -6.807 1.00 0.00 C ATOM 379 C ILE A 34 -1.001 -2.245 -5.530 1.00 0.00 C ATOM 380 O ILE A 34 -1.762 -3.072 -5.008 1.00 0.00 O ATOM 381 CB ILE A 34 1.243 -2.831 -6.477 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.019 -3.227 -7.742 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.387 -3.907 -5.402 1.00 0.00 C ATOM 384 CD1 ILE A 34 1.471 -4.452 -8.450 1.00 0.00 C ATOM 0 H ILE A 34 0.444 -1.005 -8.013 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.668 -3.478 -7.251 1.00 0.00 H new ATOM 0 HB ILE A 34 1.666 -1.904 -6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.013 -2.387 -8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.059 -3.411 -7.474 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.444 -4.069 -5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.879 -3.584 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.941 -4.837 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.076 -4.663 -9.332 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.503 -5.307 -7.775 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.440 -4.267 -8.752 1.00 0.00 H new ATOM 396 N VAL A 35 -0.797 -1.032 -5.036 1.00 0.00 N ATOM 397 CA VAL A 35 -1.462 -0.590 -3.822 1.00 0.00 C ATOM 398 C VAL A 35 -2.979 -0.526 -4.010 1.00 0.00 C ATOM 399 O VAL A 35 -3.736 -0.640 -3.051 1.00 0.00 O ATOM 400 CB VAL A 35 -0.931 0.778 -3.326 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.555 0.699 -3.010 1.00 0.00 C ATOM 402 CG2 VAL A 35 -1.211 1.881 -4.334 1.00 0.00 C ATOM 0 H VAL A 35 -0.178 -0.339 -5.457 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.233 -1.333 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.464 1.026 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.906 1.671 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.722 -0.045 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.103 0.415 -3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.825 2.827 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.723 1.643 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.286 1.965 -4.492 1.00 0.00 H new ATOM 412 N ALA A 36 -3.414 -0.362 -5.252 1.00 0.00 N ATOM 413 CA ALA A 36 -4.829 -0.311 -5.557 1.00 0.00 C ATOM 414 C ALA A 36 -5.419 -1.714 -5.647 1.00 0.00 C ATOM 415 O ALA A 36 -6.465 -1.986 -5.064 1.00 0.00 O ATOM 416 CB ALA A 36 -5.072 0.454 -6.850 1.00 0.00 C ATOM 0 H ALA A 36 -2.803 -0.262 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.330 0.216 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.141 0.481 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.697 1.472 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.552 -0.042 -7.670 1.00 0.00 H new ATOM 422 N VAL A 37 -4.739 -2.601 -6.383 1.00 0.00 N ATOM 423 CA VAL A 37 -5.204 -3.982 -6.570 1.00 0.00 C ATOM 424 C VAL A 37 -5.502 -4.678 -5.239 1.00 0.00 C ATOM 425 O VAL A 37 -6.654 -4.986 -4.946 1.00 0.00 O ATOM 426 CB VAL A 37 -4.190 -4.833 -7.387 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.614 -6.298 -7.427 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.062 -4.291 -8.802 1.00 0.00 C ATOM 0 H VAL A 37 -3.863 -2.387 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.133 -3.908 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.221 -4.768 -6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.888 -6.871 -8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.662 -6.691 -6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.595 -6.380 -7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.349 -4.897 -9.361 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.034 -4.327 -9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.712 -3.259 -8.766 1.00 0.00 H new ATOM 438 N MET A 38 -4.483 -4.927 -4.428 1.00 0.00 N ATOM 439 CA MET A 38 -4.712 -5.586 -3.155 1.00 0.00 C ATOM 440 C MET A 38 -5.365 -4.654 -2.156 1.00 0.00 C ATOM 441 O MET A 38 -6.157 -5.088 -1.342 1.00 0.00 O ATOM 442 CB MET A 38 -3.412 -6.143 -2.576 1.00 0.00 C ATOM 443 CG MET A 38 -3.621 -6.985 -1.321 1.00 0.00 C ATOM 444 SD MET A 38 -2.079 -7.580 -0.606 1.00 0.00 S ATOM 445 CE MET A 38 -1.330 -6.040 -0.093 1.00 0.00 C ATOM 0 H MET A 38 -3.511 -4.688 -4.624 1.00 0.00 H new ATOM 0 HA MET A 38 -5.392 -6.416 -3.345 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.916 -6.750 -3.333 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.743 -5.315 -2.342 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.155 -6.393 -0.578 1.00 0.00 H new ATOM 0 HG3 MET A 38 -4.255 -7.838 -1.564 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.429 -5.860 -0.680 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.034 -5.223 -0.250 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.069 -6.097 0.964 1.00 0.00 H new ATOM 455 N GLY A 39 -5.035 -3.374 -2.234 1.00 0.00 N ATOM 456 CA GLY A 39 -5.594 -2.405 -1.306 1.00 0.00 C ATOM 457 C GLY A 39 -7.108 -2.376 -1.335 1.00 0.00 C ATOM 458 O GLY A 39 -7.757 -2.578 -0.308 1.00 0.00 O ATOM 0 H GLY A 39 -4.390 -2.986 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.258 -2.639 -0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.211 -1.414 -1.547 1.00 0.00 H new ATOM 462 N ASN A 40 -7.664 -2.137 -2.518 1.00 0.00 N ATOM 463 CA ASN A 40 -9.116 -2.074 -2.696 1.00 0.00 C ATOM 464 C ASN A 40 -9.782 -3.389 -2.275 1.00 0.00 C ATOM 465 O ASN A 40 -10.844 -3.384 -1.659 1.00 0.00 O ATOM 466 CB ASN A 40 -9.480 -1.709 -4.151 1.00 0.00 C ATOM 467 CG ASN A 40 -9.806 -2.910 -5.030 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.951 -3.350 -5.112 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.809 -3.433 -5.690 1.00 0.00 N ATOM 0 H ASN A 40 -7.131 -1.983 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.497 -1.285 -2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.337 -1.036 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.649 -1.161 -4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.966 -4.235 -6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.873 -3.040 -5.596 1.00 0.00 H new ATOM 476 N ALA A 41 -9.144 -4.509 -2.597 1.00 0.00 N ATOM 477 CA ALA A 41 -9.668 -5.809 -2.223 1.00 0.00 C ATOM 478 C ALA A 41 -9.609 -5.986 -0.712 1.00 0.00 C ATOM 479 O ALA A 41 -10.582 -6.395 -0.089 1.00 0.00 O ATOM 480 CB ALA A 41 -8.892 -6.916 -2.922 1.00 0.00 C ATOM 0 H ALA A 41 -8.266 -4.539 -3.115 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.710 -5.869 -2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.298 -7.885 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.980 -6.796 -4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.842 -6.861 -2.635 1.00 0.00 H new ATOM 486 N SER A 42 -8.462 -5.651 -0.145 1.00 0.00 N ATOM 487 CA SER A 42 -8.223 -5.759 1.286 1.00 0.00 C ATOM 488 C SER A 42 -9.254 -4.953 2.077 1.00 0.00 C ATOM 489 O SER A 42 -9.945 -5.500 2.948 1.00 0.00 O ATOM 490 CB SER A 42 -6.801 -5.288 1.623 1.00 0.00 C ATOM 491 OG SER A 42 -6.510 -5.466 2.994 1.00 0.00 O ATOM 0 H SER A 42 -7.663 -5.293 -0.669 1.00 0.00 H new ATOM 0 HA SER A 42 -8.324 -6.806 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.080 -5.842 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.693 -4.236 1.360 1.00 0.00 H new ATOM 0 HG SER A 42 -5.598 -5.159 3.177 1.00 0.00 H new ATOM 497 N VAL A 43 -9.377 -3.663 1.759 1.00 0.00 N ATOM 498 CA VAL A 43 -10.321 -2.799 2.457 1.00 0.00 C ATOM 499 C VAL A 43 -11.755 -3.303 2.304 1.00 0.00 C ATOM 500 O VAL A 43 -12.526 -3.318 3.271 1.00 0.00 O ATOM 501 CB VAL A 43 -10.216 -1.310 2.004 1.00 0.00 C ATOM 502 CG1 VAL A 43 -8.828 -0.757 2.278 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.572 -1.145 0.536 1.00 0.00 C ATOM 0 H VAL A 43 -8.838 -3.199 1.028 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.049 -2.838 3.512 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.939 -0.741 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.780 0.282 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.618 -0.814 3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.089 -1.342 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.487 -0.095 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.890 -1.738 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.595 -1.484 0.369 1.00 0.00 H new ATOM 513 N ALA A 44 -12.107 -3.757 1.107 1.00 0.00 N ATOM 514 CA ALA A 44 -13.438 -4.259 0.849 1.00 0.00 C ATOM 515 C ALA A 44 -13.664 -5.627 1.496 1.00 0.00 C ATOM 516 O ALA A 44 -14.790 -6.094 1.574 1.00 0.00 O ATOM 517 CB ALA A 44 -13.685 -4.332 -0.653 1.00 0.00 C ATOM 0 H ALA A 44 -11.482 -3.785 0.301 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.150 -3.566 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.690 -4.711 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.587 -3.337 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.955 -5.000 -1.110 1.00 0.00 H new ATOM 523 N SER A 45 -12.600 -6.263 1.968 1.00 0.00 N ATOM 524 CA SER A 45 -12.727 -7.584 2.578 1.00 0.00 C ATOM 525 C SER A 45 -13.145 -7.490 4.035 1.00 0.00 C ATOM 526 O SER A 45 -13.622 -8.468 4.616 1.00 0.00 O ATOM 527 CB SER A 45 -11.413 -8.367 2.467 1.00 0.00 C ATOM 528 OG SER A 45 -11.079 -8.624 1.116 1.00 0.00 O ATOM 0 H SER A 45 -11.650 -5.893 1.942 1.00 0.00 H new ATOM 0 HA SER A 45 -13.506 -8.115 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.610 -7.803 2.941 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.502 -9.310 3.007 1.00 0.00 H new ATOM 0 HG SER A 45 -11.203 -7.808 0.587 1.00 0.00 H new ATOM 534 N ARG A 46 -12.966 -6.326 4.635 1.00 0.00 N ATOM 535 CA ARG A 46 -13.306 -6.169 6.041 1.00 0.00 C ATOM 536 C ARG A 46 -14.518 -5.272 6.200 1.00 0.00 C ATOM 537 O ARG A 46 -15.233 -5.350 7.195 1.00 0.00 O ATOM 538 CB ARG A 46 -12.133 -5.552 6.802 1.00 0.00 C ATOM 539 CG ARG A 46 -10.771 -6.116 6.434 1.00 0.00 C ATOM 540 CD ARG A 46 -10.628 -7.581 6.793 1.00 0.00 C ATOM 541 NE ARG A 46 -9.275 -8.070 6.506 1.00 0.00 N ATOM 542 CZ ARG A 46 -8.816 -9.267 6.868 1.00 0.00 C ATOM 543 NH1 ARG A 46 -9.608 -10.116 7.499 1.00 0.00 N ATOM 544 NH2 ARG A 46 -7.564 -9.614 6.597 1.00 0.00 N ATOM 0 H ARG A 46 -12.595 -5.490 4.183 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.530 -7.156 6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.126 -4.477 6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.294 -5.696 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.608 -5.991 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.996 -5.544 6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.851 -7.722 7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.356 -8.168 6.232 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.644 -7.452 5.995 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.571 -9.855 7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.256 -11.032 7.776 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.948 -8.963 6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.217 -10.532 6.876 1.00 0.00 H new ATOM 558 N ASP A 47 -14.757 -4.442 5.206 1.00 0.00 N ATOM 559 CA ASP A 47 -15.847 -3.501 5.255 1.00 0.00 C ATOM 560 C ASP A 47 -16.913 -3.827 4.220 1.00 0.00 C ATOM 561 O ASP A 47 -18.106 -3.841 4.532 1.00 0.00 O ATOM 562 CB ASP A 47 -15.313 -2.106 5.027 1.00 0.00 C ATOM 563 CG ASP A 47 -16.376 -1.070 5.207 1.00 0.00 C ATOM 564 OD1 ASP A 47 -16.715 -0.755 6.366 1.00 0.00 O ATOM 565 OD2 ASP A 47 -16.897 -0.589 4.196 1.00 0.00 O ATOM 0 H ASP A 47 -14.204 -4.403 4.350 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.312 -3.564 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.495 -1.912 5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.902 -2.034 4.020 1.00 0.00 H new ATOM 570 N LEU A 48 -16.467 -4.057 2.981 1.00 0.00 N ATOM 571 CA LEU A 48 -17.343 -4.428 1.848 1.00 0.00 C ATOM 572 C LEU A 48 -18.183 -3.241 1.338 1.00 0.00 C ATOM 573 O LEU A 48 -18.850 -3.339 0.310 1.00 0.00 O ATOM 574 CB LEU A 48 -18.247 -5.625 2.215 1.00 0.00 C ATOM 575 CG LEU A 48 -19.091 -6.212 1.078 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.202 -6.781 -0.018 1.00 0.00 C ATOM 577 CD2 LEU A 48 -20.033 -7.279 1.611 1.00 0.00 C ATOM 0 H LEU A 48 -15.481 -3.992 2.727 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.688 -4.727 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.618 -6.418 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.919 -5.314 3.015 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.688 -5.409 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.823 -7.192 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.571 -5.989 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.574 -7.570 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -20.625 -7.685 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -19.453 -8.079 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.698 -6.839 2.354 1.00 0.00 H new ATOM 589 N LYS A 49 -18.136 -2.126 2.042 1.00 0.00 N ATOM 590 CA LYS A 49 -18.895 -0.949 1.642 1.00 0.00 C ATOM 591 C LYS A 49 -17.977 0.069 0.981 1.00 0.00 C ATOM 592 O LYS A 49 -18.435 1.049 0.389 1.00 0.00 O ATOM 593 CB LYS A 49 -19.579 -0.320 2.852 1.00 0.00 C ATOM 594 CG LYS A 49 -20.498 -1.269 3.612 1.00 0.00 C ATOM 595 CD LYS A 49 -20.945 -0.663 4.935 1.00 0.00 C ATOM 596 CE LYS A 49 -19.776 -0.518 5.908 1.00 0.00 C ATOM 597 NZ LYS A 49 -19.282 -1.826 6.392 1.00 0.00 N ATOM 0 H LYS A 49 -17.583 -2.007 2.891 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.658 -1.257 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.815 0.053 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.158 0.542 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.371 -1.500 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.980 -2.210 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -21.394 0.314 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.716 -1.291 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.962 0.016 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.088 0.088 6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.322 -1.714 6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.913 -2.181 7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.264 -2.504 5.603 1.00 0.00 H new ATOM 611 N ILE A 50 -16.683 -0.162 1.102 1.00 0.00 N ATOM 612 CA ILE A 50 -15.686 0.710 0.510 1.00 0.00 C ATOM 613 C ILE A 50 -15.656 0.534 -1.009 1.00 0.00 C ATOM 614 O ILE A 50 -15.573 -0.586 -1.514 1.00 0.00 O ATOM 615 CB ILE A 50 -14.281 0.448 1.115 1.00 0.00 C ATOM 616 CG1 ILE A 50 -14.306 0.740 2.622 1.00 0.00 C ATOM 617 CG2 ILE A 50 -13.225 1.306 0.421 1.00 0.00 C ATOM 618 CD1 ILE A 50 -13.012 0.413 3.339 1.00 0.00 C ATOM 0 H ILE A 50 -16.295 -0.956 1.611 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.963 1.740 0.737 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.019 -0.599 0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.535 1.795 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.115 0.170 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.248 1.107 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.201 1.065 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.472 2.360 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.114 0.648 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.790 -0.648 3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.201 1.003 2.913 1.00 0.00 H new ATOM 630 N GLU A 51 -15.722 1.647 -1.718 1.00 0.00 N ATOM 631 CA GLU A 51 -15.769 1.642 -3.174 1.00 0.00 C ATOM 632 C GLU A 51 -14.413 1.993 -3.774 1.00 0.00 C ATOM 633 O GLU A 51 -13.466 2.310 -3.050 1.00 0.00 O ATOM 634 CB GLU A 51 -16.832 2.617 -3.678 1.00 0.00 C ATOM 635 CG GLU A 51 -18.249 2.261 -3.257 1.00 0.00 C ATOM 636 CD GLU A 51 -18.679 0.898 -3.755 1.00 0.00 C ATOM 637 OE1 GLU A 51 -18.804 0.722 -4.980 1.00 0.00 O ATOM 638 OE2 GLU A 51 -18.903 -0.002 -2.922 1.00 0.00 O ATOM 0 H GLU A 51 -15.745 2.579 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.031 0.633 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.596 3.616 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.787 2.657 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.318 2.285 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.937 3.016 -3.636 1.00 0.00 H new ATOM 645 N GLN A 52 -14.326 1.926 -5.101 1.00 0.00 N ATOM 646 CA GLN A 52 -13.092 2.238 -5.821 1.00 0.00 C ATOM 647 C GLN A 52 -12.860 3.748 -5.860 1.00 0.00 C ATOM 648 O GLN A 52 -12.976 4.378 -6.914 1.00 0.00 O ATOM 649 CB GLN A 52 -13.154 1.694 -7.256 1.00 0.00 C ATOM 650 CG GLN A 52 -13.497 0.219 -7.347 1.00 0.00 C ATOM 651 CD GLN A 52 -12.450 -0.671 -6.723 1.00 0.00 C ATOM 652 OE1 GLN A 52 -11.257 -0.361 -6.737 1.00 0.00 O ATOM 653 NE2 GLN A 52 -12.888 -1.776 -6.163 1.00 0.00 N ATOM 0 H GLN A 52 -15.103 1.656 -5.704 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.265 1.763 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.895 2.263 -7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.191 1.862 -7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.454 0.044 -6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.621 -0.055 -8.395 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -13.885 -1.993 -6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.231 -2.416 -5.717 1.00 0.00 H new ATOM 662 N SER A 53 -12.577 4.323 -4.712 1.00 0.00 N ATOM 663 CA SER A 53 -12.331 5.745 -4.604 1.00 0.00 C ATOM 664 C SER A 53 -10.841 6.055 -4.808 1.00 0.00 C ATOM 665 O SER A 53 -10.004 5.664 -3.992 1.00 0.00 O ATOM 666 CB SER A 53 -12.790 6.236 -3.232 1.00 0.00 C ATOM 667 OG SER A 53 -14.136 5.853 -2.978 1.00 0.00 O ATOM 0 H SER A 53 -12.511 3.819 -3.828 1.00 0.00 H new ATOM 0 HA SER A 53 -12.894 6.262 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.140 5.827 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.701 7.321 -3.182 1.00 0.00 H new ATOM 0 HG SER A 53 -14.407 6.177 -2.094 1.00 0.00 H new ATOM 673 N PRO A 54 -10.494 6.763 -5.906 1.00 0.00 N ATOM 674 CA PRO A 54 -9.095 7.126 -6.222 1.00 0.00 C ATOM 675 C PRO A 54 -8.448 7.981 -5.129 1.00 0.00 C ATOM 676 O PRO A 54 -7.227 8.003 -4.981 1.00 0.00 O ATOM 677 CB PRO A 54 -9.220 7.937 -7.518 1.00 0.00 C ATOM 678 CG PRO A 54 -10.529 7.528 -8.101 1.00 0.00 C ATOM 679 CD PRO A 54 -11.428 7.249 -6.936 1.00 0.00 C ATOM 0 HA PRO A 54 -8.461 6.243 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.194 9.008 -7.318 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.398 7.720 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.940 8.317 -8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.418 6.644 -8.729 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.957 8.145 -6.611 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.184 6.503 -7.179 1.00 0.00 H new ATOM 687 N GLU A 55 -9.278 8.666 -4.357 1.00 0.00 N ATOM 688 CA GLU A 55 -8.795 9.516 -3.278 1.00 0.00 C ATOM 689 C GLU A 55 -8.293 8.677 -2.107 1.00 0.00 C ATOM 690 O GLU A 55 -7.498 9.141 -1.292 1.00 0.00 O ATOM 691 CB GLU A 55 -9.893 10.469 -2.818 1.00 0.00 C ATOM 692 CG GLU A 55 -10.232 11.540 -3.837 1.00 0.00 C ATOM 693 CD GLU A 55 -11.452 12.338 -3.454 1.00 0.00 C ATOM 694 OE1 GLU A 55 -11.404 13.064 -2.442 1.00 0.00 O ATOM 695 OE2 GLU A 55 -12.474 12.238 -4.160 1.00 0.00 O ATOM 0 H GLU A 55 -10.293 8.650 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.959 10.104 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.792 9.894 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.582 10.948 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.382 12.213 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.398 11.073 -4.808 1.00 0.00 H new ATOM 702 N LEU A 56 -8.752 7.438 -2.038 1.00 0.00 N ATOM 703 CA LEU A 56 -8.343 6.537 -0.977 1.00 0.00 C ATOM 704 C LEU A 56 -6.993 5.914 -1.291 1.00 0.00 C ATOM 705 O LEU A 56 -6.135 5.825 -0.422 1.00 0.00 O ATOM 706 CB LEU A 56 -9.402 5.451 -0.731 1.00 0.00 C ATOM 707 CG LEU A 56 -10.481 5.778 0.320 1.00 0.00 C ATOM 708 CD1 LEU A 56 -9.864 5.871 1.708 1.00 0.00 C ATOM 709 CD2 LEU A 56 -11.211 7.072 -0.022 1.00 0.00 C ATOM 0 H LEU A 56 -9.409 7.034 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.246 7.120 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.899 5.237 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.892 4.538 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.209 4.967 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.641 6.103 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.399 4.919 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.110 6.658 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.966 7.276 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.497 7.895 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.693 6.972 -0.995 1.00 0.00 H new ATOM 721 N SER A 57 -6.799 5.510 -2.539 1.00 0.00 N ATOM 722 CA SER A 57 -5.537 4.922 -2.954 1.00 0.00 C ATOM 723 C SER A 57 -4.419 5.967 -2.888 1.00 0.00 C ATOM 724 O SER A 57 -3.356 5.724 -2.313 1.00 0.00 O ATOM 725 CB SER A 57 -5.666 4.340 -4.362 1.00 0.00 C ATOM 726 OG SER A 57 -6.377 5.225 -5.208 1.00 0.00 O ATOM 0 H SER A 57 -7.498 5.579 -3.278 1.00 0.00 H new ATOM 0 HA SER A 57 -5.280 4.110 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.675 4.152 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.180 3.380 -4.318 1.00 0.00 H new ATOM 0 HG SER A 57 -6.447 4.835 -6.104 1.00 0.00 H new ATOM 732 N ALA A 58 -4.672 7.116 -3.505 1.00 0.00 N ATOM 733 CA ALA A 58 -3.753 8.258 -3.461 1.00 0.00 C ATOM 734 C ALA A 58 -3.217 8.522 -2.041 1.00 0.00 C ATOM 735 O ALA A 58 -2.052 8.885 -1.869 1.00 0.00 O ATOM 736 CB ALA A 58 -4.435 9.504 -4.004 1.00 0.00 C ATOM 0 H ALA A 58 -5.517 7.286 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.898 8.009 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.742 10.344 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.739 9.332 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.313 9.731 -3.400 1.00 0.00 H new ATOM 742 N LYS A 59 -4.061 8.326 -1.031 1.00 0.00 N ATOM 743 CA LYS A 59 -3.651 8.564 0.350 1.00 0.00 C ATOM 744 C LYS A 59 -3.117 7.293 1.030 1.00 0.00 C ATOM 745 O LYS A 59 -2.230 7.372 1.882 1.00 0.00 O ATOM 746 CB LYS A 59 -4.792 9.178 1.172 1.00 0.00 C ATOM 747 CG LYS A 59 -5.227 10.555 0.678 1.00 0.00 C ATOM 748 CD LYS A 59 -6.105 11.279 1.695 1.00 0.00 C ATOM 749 CE LYS A 59 -7.417 10.551 1.951 1.00 0.00 C ATOM 750 NZ LYS A 59 -8.262 11.277 2.938 1.00 0.00 N ATOM 0 H LYS A 59 -5.023 8.006 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.830 9.279 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.649 8.505 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.478 9.257 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.345 11.159 0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.772 10.448 -0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.560 11.381 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.316 12.287 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.963 10.443 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.210 9.545 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.148 10.753 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.750 11.358 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.479 12.228 2.576 1.00 0.00 H new ATOM 764 N VAL A 60 -3.649 6.126 0.641 1.00 0.00 N ATOM 765 CA VAL A 60 -3.232 4.842 1.235 1.00 0.00 C ATOM 766 C VAL A 60 -1.747 4.560 0.985 1.00 0.00 C ATOM 767 O VAL A 60 -1.141 3.774 1.685 1.00 0.00 O ATOM 768 CB VAL A 60 -4.089 3.638 0.726 1.00 0.00 C ATOM 769 CG1 VAL A 60 -3.626 3.154 -0.642 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.068 2.494 1.734 1.00 0.00 C ATOM 0 H VAL A 60 -4.366 6.041 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.398 4.943 2.308 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.115 3.991 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.247 2.317 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.713 3.966 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.586 2.833 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.671 1.667 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.042 2.157 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.476 2.839 2.684 1.00 0.00 H new ATOM 780 N VAL A 61 -1.174 5.214 -0.017 1.00 0.00 N ATOM 781 CA VAL A 61 0.242 5.041 -0.320 1.00 0.00 C ATOM 782 C VAL A 61 1.045 6.221 0.240 1.00 0.00 C ATOM 783 O VAL A 61 2.194 6.066 0.668 1.00 0.00 O ATOM 784 CB VAL A 61 0.504 4.874 -1.849 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.090 6.117 -2.628 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.970 4.524 -2.116 1.00 0.00 C ATOM 0 H VAL A 61 -1.664 5.865 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 61 0.571 4.120 0.160 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.114 4.047 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.287 5.964 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.974 6.302 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.660 6.975 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.128 4.413 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.609 5.321 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.218 3.589 -1.614 1.00 0.00 H new ATOM 796 N GLU A 62 0.406 7.391 0.254 1.00 0.00 N ATOM 797 CA GLU A 62 1.013 8.615 0.772 1.00 0.00 C ATOM 798 C GLU A 62 1.349 8.462 2.253 1.00 0.00 C ATOM 799 O GLU A 62 2.464 8.762 2.684 1.00 0.00 O ATOM 800 CB GLU A 62 0.072 9.812 0.539 1.00 0.00 C ATOM 801 CG GLU A 62 0.657 11.173 0.912 1.00 0.00 C ATOM 802 CD GLU A 62 0.305 11.614 2.321 1.00 0.00 C ATOM 803 OE1 GLU A 62 -0.788 12.191 2.507 1.00 0.00 O ATOM 804 OE2 GLU A 62 1.119 11.401 3.240 1.00 0.00 O ATOM 0 H GLU A 62 -0.545 7.516 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 62 1.944 8.801 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.213 9.832 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.841 9.655 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.742 11.134 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.298 11.921 0.205 1.00 0.00 H new ATOM 811 N LYS A 63 0.395 7.979 3.024 1.00 0.00 N ATOM 812 CA LYS A 63 0.614 7.778 4.444 1.00 0.00 C ATOM 813 C LYS A 63 1.438 6.522 4.680 1.00 0.00 C ATOM 814 O LYS A 63 2.294 6.488 5.550 1.00 0.00 O ATOM 815 CB LYS A 63 -0.720 7.688 5.193 1.00 0.00 C ATOM 816 CG LYS A 63 -1.574 8.944 5.094 1.00 0.00 C ATOM 817 CD LYS A 63 -0.829 10.161 5.619 1.00 0.00 C ATOM 818 CE LYS A 63 -1.678 11.416 5.534 1.00 0.00 C ATOM 819 NZ LYS A 63 -0.900 12.625 5.893 1.00 0.00 N ATOM 0 H LYS A 63 -0.535 7.719 2.694 1.00 0.00 H new ATOM 0 HA LYS A 63 1.165 8.636 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.288 6.844 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.521 7.479 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.861 9.110 4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.495 8.806 5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.535 9.989 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.088 10.302 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.071 11.522 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.535 11.322 6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.511 13.464 5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.546 12.533 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.097 12.727 5.241 1.00 0.00 H new ATOM 833 N LEU A 64 1.187 5.514 3.871 1.00 0.00 N ATOM 834 CA LEU A 64 1.866 4.227 3.979 1.00 0.00 C ATOM 835 C LEU A 64 3.392 4.380 4.014 1.00 0.00 C ATOM 836 O LEU A 64 4.047 3.925 4.952 1.00 0.00 O ATOM 837 CB LEU A 64 1.458 3.339 2.808 1.00 0.00 C ATOM 838 CG LEU A 64 1.980 1.916 2.817 1.00 0.00 C ATOM 839 CD1 LEU A 64 1.458 1.178 4.025 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.581 1.197 1.537 1.00 0.00 C ATOM 0 H LEU A 64 0.504 5.558 3.115 1.00 0.00 H new ATOM 0 HA LEU A 64 1.565 3.768 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.369 3.302 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.790 3.817 1.887 1.00 0.00 H new ATOM 0 HG LEU A 64 3.068 1.942 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.840 0.157 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.788 1.685 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.369 1.158 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.963 0.176 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.494 1.176 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.999 1.723 0.679 1.00 0.00 H new ATOM 852 N ASN A 65 3.947 5.028 2.995 1.00 0.00 N ATOM 853 CA ASN A 65 5.414 5.186 2.878 1.00 0.00 C ATOM 854 C ASN A 65 5.994 5.962 4.049 1.00 0.00 C ATOM 855 O ASN A 65 7.160 5.795 4.401 1.00 0.00 O ATOM 856 CB ASN A 65 5.822 5.834 1.537 1.00 0.00 C ATOM 857 CG ASN A 65 5.547 7.328 1.464 1.00 0.00 C ATOM 858 OD1 ASN A 65 6.369 8.140 1.876 1.00 0.00 O ATOM 859 ND2 ASN A 65 4.410 7.698 0.918 1.00 0.00 N ATOM 0 H ASN A 65 3.416 5.455 2.236 1.00 0.00 H new ATOM 0 HA ASN A 65 5.835 4.181 2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.885 5.662 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.288 5.337 0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.187 8.689 0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.750 6.994 0.587 1.00 0.00 H new ATOM 866 N GLN A 66 5.168 6.779 4.659 1.00 0.00 N ATOM 867 CA GLN A 66 5.573 7.539 5.819 1.00 0.00 C ATOM 868 C GLN A 66 5.710 6.591 7.019 1.00 0.00 C ATOM 869 O GLN A 66 6.647 6.701 7.811 1.00 0.00 O ATOM 870 CB GLN A 66 4.574 8.703 6.058 1.00 0.00 C ATOM 871 CG GLN A 66 4.511 9.262 7.482 1.00 0.00 C ATOM 872 CD GLN A 66 3.629 8.433 8.398 1.00 0.00 C ATOM 873 OE1 GLN A 66 3.844 8.381 9.607 1.00 0.00 O ATOM 874 NE2 GLN A 66 2.636 7.777 7.818 1.00 0.00 N ATOM 0 H GLN A 66 4.203 6.935 4.368 1.00 0.00 H new ATOM 0 HA GLN A 66 6.549 7.999 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.831 9.518 5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.577 8.361 5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.518 9.305 7.896 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.135 10.285 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.496 7.850 6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.011 7.198 8.379 1.00 0.00 H new ATOM 883 N VAL A 67 4.764 5.657 7.134 1.00 0.00 N ATOM 884 CA VAL A 67 4.818 4.614 8.159 1.00 0.00 C ATOM 885 C VAL A 67 6.101 3.783 8.018 1.00 0.00 C ATOM 886 O VAL A 67 6.780 3.500 9.006 1.00 0.00 O ATOM 887 CB VAL A 67 3.587 3.670 8.080 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.647 2.601 9.163 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.295 4.461 8.189 1.00 0.00 C ATOM 0 H VAL A 67 3.947 5.602 6.526 1.00 0.00 H new ATOM 0 HA VAL A 67 4.811 5.115 9.127 1.00 0.00 H new ATOM 0 HB VAL A 67 3.609 3.174 7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.773 1.954 9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.552 2.006 9.037 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.659 3.077 10.144 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.446 3.780 8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.272 4.990 9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.239 5.181 7.372 1.00 0.00 H new ATOM 899 N CYS A 68 6.434 3.418 6.780 1.00 0.00 N ATOM 900 CA CYS A 68 7.640 2.626 6.513 1.00 0.00 C ATOM 901 C CYS A 68 8.900 3.448 6.756 1.00 0.00 C ATOM 902 O CYS A 68 9.936 2.911 7.142 1.00 0.00 O ATOM 903 CB CYS A 68 7.646 2.087 5.089 1.00 0.00 C ATOM 904 SG CYS A 68 6.305 0.921 4.707 1.00 0.00 S ATOM 0 H CYS A 68 5.891 3.655 5.949 1.00 0.00 H new ATOM 0 HA CYS A 68 7.630 1.783 7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.585 2.927 4.398 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.600 1.593 4.907 1.00 0.00 H new ATOM 909 N ALA A 69 8.814 4.750 6.506 1.00 0.00 N ATOM 910 CA ALA A 69 9.932 5.654 6.759 1.00 0.00 C ATOM 911 C ALA A 69 10.314 5.640 8.238 1.00 0.00 C ATOM 912 O ALA A 69 11.459 5.902 8.599 1.00 0.00 O ATOM 913 CB ALA A 69 9.590 7.069 6.311 1.00 0.00 C ATOM 0 H ALA A 69 7.982 5.204 6.128 1.00 0.00 H new ATOM 0 HA ALA A 69 10.788 5.307 6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.436 7.728 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.371 7.070 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.718 7.424 6.861 1.00 0.00 H new ATOM 919 N LYS A 70 9.346 5.328 9.086 1.00 0.00 N ATOM 920 CA LYS A 70 9.573 5.251 10.523 1.00 0.00 C ATOM 921 C LYS A 70 9.813 3.811 10.958 1.00 0.00 C ATOM 922 O LYS A 70 10.444 3.557 11.984 1.00 0.00 O ATOM 923 CB LYS A 70 8.381 5.829 11.271 1.00 0.00 C ATOM 924 CG LYS A 70 8.118 7.284 10.952 1.00 0.00 C ATOM 925 CD LYS A 70 6.813 7.751 11.554 1.00 0.00 C ATOM 926 CE LYS A 70 6.541 9.194 11.200 1.00 0.00 C ATOM 927 NZ LYS A 70 5.216 9.642 11.686 1.00 0.00 N ATOM 0 H LYS A 70 8.388 5.122 8.802 1.00 0.00 H new ATOM 0 HA LYS A 70 10.463 5.834 10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.493 5.246 11.029 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.549 5.725 12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.936 7.896 11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.093 7.423 9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.997 7.124 11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.847 7.639 12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.318 9.826 11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.592 9.318 10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.180 10.681 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.473 9.270 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.063 9.290 12.653 1.00 0.00 H new ATOM 941 N ASP A 71 9.320 2.874 10.167 1.00 0.00 N ATOM 942 CA ASP A 71 9.470 1.452 10.460 1.00 0.00 C ATOM 943 C ASP A 71 9.800 0.684 9.189 1.00 0.00 C ATOM 944 O ASP A 71 8.907 0.318 8.422 1.00 0.00 O ATOM 945 CB ASP A 71 8.202 0.873 11.101 1.00 0.00 C ATOM 946 CG ASP A 71 8.019 1.296 12.540 1.00 0.00 C ATOM 947 OD1 ASP A 71 8.583 0.634 13.431 1.00 0.00 O ATOM 948 OD2 ASP A 71 7.298 2.287 12.791 1.00 0.00 O ATOM 0 H ASP A 71 8.807 3.071 9.308 1.00 0.00 H new ATOM 0 HA ASP A 71 10.289 1.346 11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.333 1.188 10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.241 -0.215 11.051 1.00 0.00 H new ATOM 953 N PRO A 72 11.094 0.445 8.940 1.00 0.00 N ATOM 954 CA PRO A 72 11.563 -0.263 7.736 1.00 0.00 C ATOM 955 C PRO A 72 11.082 -1.717 7.673 1.00 0.00 C ATOM 956 O PRO A 72 11.138 -2.352 6.624 1.00 0.00 O ATOM 957 CB PRO A 72 13.094 -0.217 7.864 1.00 0.00 C ATOM 958 CG PRO A 72 13.370 0.868 8.846 1.00 0.00 C ATOM 959 CD PRO A 72 12.213 0.865 9.795 1.00 0.00 C ATOM 0 HA PRO A 72 11.178 0.200 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.489 -1.172 8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.564 -0.007 6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.308 0.689 9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.463 1.832 8.347 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.371 0.174 10.623 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.043 1.850 10.229 1.00 0.00 H new ATOM 967 N GLN A 73 10.637 -2.246 8.805 1.00 0.00 N ATOM 968 CA GLN A 73 10.144 -3.626 8.875 1.00 0.00 C ATOM 969 C GLN A 73 8.728 -3.766 8.308 1.00 0.00 C ATOM 970 O GLN A 73 8.167 -4.864 8.283 1.00 0.00 O ATOM 971 CB GLN A 73 10.174 -4.125 10.322 1.00 0.00 C ATOM 972 CG GLN A 73 11.522 -3.948 10.995 1.00 0.00 C ATOM 973 CD GLN A 73 12.650 -4.611 10.229 1.00 0.00 C ATOM 974 OE1 GLN A 73 12.464 -5.640 9.581 1.00 0.00 O ATOM 975 NE2 GLN A 73 13.812 -4.006 10.272 1.00 0.00 N ATOM 0 H GLN A 73 10.605 -1.744 9.692 1.00 0.00 H new ATOM 0 HA GLN A 73 10.807 -4.236 8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.417 -3.592 10.897 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.904 -5.181 10.340 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.735 -2.884 11.099 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.478 -4.364 12.002 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.923 -3.154 10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.605 -4.387 9.755 1.00 0.00 H new ATOM 984 N MET A 74 8.155 -2.664 7.863 1.00 0.00 N ATOM 985 CA MET A 74 6.804 -2.682 7.308 1.00 0.00 C ATOM 986 C MET A 74 6.799 -3.150 5.849 1.00 0.00 C ATOM 987 O MET A 74 6.794 -2.336 4.921 1.00 0.00 O ATOM 988 CB MET A 74 6.135 -1.306 7.427 1.00 0.00 C ATOM 989 CG MET A 74 5.944 -0.826 8.860 1.00 0.00 C ATOM 990 SD MET A 74 4.837 -1.880 9.826 1.00 0.00 S ATOM 991 CE MET A 74 3.291 -1.651 8.948 1.00 0.00 C ATOM 0 H MET A 74 8.598 -1.745 7.872 1.00 0.00 H new ATOM 0 HA MET A 74 6.228 -3.398 7.895 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.737 -0.574 6.888 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.163 -1.344 6.936 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.915 -0.782 9.354 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.547 0.189 8.846 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.489 -1.473 9.664 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.376 -0.795 8.279 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.067 -2.545 8.367 1.00 0.00 H new ATOM 1001 N LEU A 75 6.832 -4.468 5.660 1.00 0.00 N ATOM 1002 CA LEU A 75 6.779 -5.074 4.324 1.00 0.00 C ATOM 1003 C LEU A 75 5.519 -4.610 3.604 1.00 0.00 C ATOM 1004 O LEU A 75 4.469 -4.498 4.217 1.00 0.00 O ATOM 1005 CB LEU A 75 6.771 -6.599 4.450 1.00 0.00 C ATOM 1006 CG LEU A 75 7.932 -7.204 5.244 1.00 0.00 C ATOM 1007 CD1 LEU A 75 7.750 -8.705 5.397 1.00 0.00 C ATOM 1008 CD2 LEU A 75 9.262 -6.891 4.571 1.00 0.00 C ATOM 0 H LEU A 75 6.896 -5.145 6.421 1.00 0.00 H new ATOM 0 HA LEU A 75 7.655 -4.767 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.836 -6.902 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.777 -7.028 3.448 1.00 0.00 H new ATOM 0 HG LEU A 75 7.938 -6.757 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.585 -9.117 5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.818 -8.907 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.716 -9.170 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.075 -7.329 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.267 -7.309 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.397 -5.811 4.516 1.00 0.00 H new ATOM 1020 N LEU A 76 5.633 -4.357 2.307 1.00 0.00 N ATOM 1021 CA LEU A 76 4.526 -3.831 1.499 1.00 0.00 C ATOM 1022 C LEU A 76 3.248 -4.656 1.668 1.00 0.00 C ATOM 1023 O LEU A 76 2.172 -4.104 1.920 1.00 0.00 O ATOM 1024 CB LEU A 76 4.931 -3.788 0.018 1.00 0.00 C ATOM 1025 CG LEU A 76 3.878 -3.245 -0.955 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.588 -1.778 -0.677 1.00 0.00 C ATOM 1027 CD2 LEU A 76 4.334 -3.437 -2.394 1.00 0.00 C ATOM 0 H LEU A 76 6.493 -4.509 1.780 1.00 0.00 H new ATOM 0 HA LEU A 76 4.314 -2.822 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.830 -3.178 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.198 -4.798 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 76 2.955 -3.806 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.838 -1.416 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.214 -1.668 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.504 -1.198 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.575 -3.046 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.271 -2.904 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.483 -4.499 -2.590 1.00 0.00 H new ATOM 1039 N ILE A 77 3.382 -5.968 1.542 1.00 0.00 N ATOM 1040 CA ILE A 77 2.250 -6.880 1.639 1.00 0.00 C ATOM 1041 C ILE A 77 1.488 -6.709 2.976 1.00 0.00 C ATOM 1042 O ILE A 77 0.252 -6.703 3.003 1.00 0.00 O ATOM 1043 CB ILE A 77 2.709 -8.366 1.453 1.00 0.00 C ATOM 1044 CG1 ILE A 77 1.517 -9.281 1.176 1.00 0.00 C ATOM 1045 CG2 ILE A 77 3.510 -8.871 2.648 1.00 0.00 C ATOM 1046 CD1 ILE A 77 0.937 -9.107 -0.212 1.00 0.00 C ATOM 0 H ILE A 77 4.275 -6.430 1.370 1.00 0.00 H new ATOM 0 HA ILE A 77 1.562 -6.627 0.832 1.00 0.00 H new ATOM 0 HB ILE A 77 3.368 -8.388 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.826 -10.318 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.739 -9.086 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.808 -9.905 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.399 -8.254 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.896 -8.815 3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.094 -9.786 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.597 -8.079 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.701 -9.330 -0.956 1.00 0.00 H new ATOM 1058 N THR A 78 2.230 -6.559 4.065 1.00 0.00 N ATOM 1059 CA THR A 78 1.645 -6.395 5.384 1.00 0.00 C ATOM 1060 C THR A 78 1.230 -4.941 5.639 1.00 0.00 C ATOM 1061 O THR A 78 0.165 -4.678 6.186 1.00 0.00 O ATOM 1062 CB THR A 78 2.651 -6.835 6.465 1.00 0.00 C ATOM 1063 OG1 THR A 78 3.221 -8.097 6.092 1.00 0.00 O ATOM 1064 CG2 THR A 78 1.974 -6.968 7.822 1.00 0.00 C ATOM 0 H THR A 78 3.250 -6.548 4.057 1.00 0.00 H new ATOM 0 HA THR A 78 0.753 -7.020 5.430 1.00 0.00 H new ATOM 0 HB THR A 78 3.430 -6.077 6.543 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.863 -8.381 6.776 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.708 -7.280 8.566 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.549 -6.007 8.112 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.180 -7.713 7.761 1.00 0.00 H new ATOM 1072 N ALA A 79 2.079 -4.011 5.229 1.00 0.00 N ATOM 1073 CA ALA A 79 1.847 -2.584 5.436 1.00 0.00 C ATOM 1074 C ALA A 79 0.498 -2.122 4.873 1.00 0.00 C ATOM 1075 O ALA A 79 -0.206 -1.326 5.502 1.00 0.00 O ATOM 1076 CB ALA A 79 2.990 -1.776 4.843 1.00 0.00 C ATOM 0 H ALA A 79 2.950 -4.222 4.742 1.00 0.00 H new ATOM 0 HA ALA A 79 1.810 -2.411 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.806 -0.714 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.925 -2.059 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.060 -1.975 3.774 1.00 0.00 H new ATOM 1082 N ILE A 80 0.138 -2.619 3.695 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.141 -2.268 3.090 1.00 0.00 C ATOM 1084 C ILE A 80 -2.300 -2.806 3.936 1.00 0.00 C ATOM 1085 O ILE A 80 -3.274 -2.096 4.194 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.254 -2.791 1.636 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.169 -2.148 0.760 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -2.643 -2.506 1.065 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.169 -2.630 -0.676 1.00 0.00 C ATOM 0 H ILE A 80 0.708 -3.261 3.144 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.197 -1.180 3.057 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.106 -3.871 1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.303 -1.066 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.807 -2.352 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.700 -2.881 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.397 -3.002 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.824 -1.431 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.626 -2.129 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.003 -3.707 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.130 -2.402 -1.136 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.169 -4.051 4.389 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.187 -4.676 5.241 1.00 0.00 C ATOM 1103 C ASP A 81 -3.299 -3.910 6.555 1.00 0.00 C ATOM 1104 O ASP A 81 -4.391 -3.685 7.069 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.829 -6.150 5.510 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.862 -6.881 6.363 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -3.728 -6.881 7.608 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -4.800 -7.485 5.790 1.00 0.00 O ATOM 0 H ASP A 81 -1.369 -4.650 4.182 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.148 -4.644 4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.723 -6.669 4.558 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.860 -6.195 6.008 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.151 -3.487 7.071 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.085 -2.716 8.310 1.00 0.00 C ATOM 1115 C ASP A 82 -2.779 -1.361 8.161 1.00 0.00 C ATOM 1116 O ASP A 82 -3.487 -0.911 9.064 1.00 0.00 O ATOM 1117 CB ASP A 82 -0.629 -2.519 8.737 1.00 0.00 C ATOM 1118 CG ASP A 82 -0.497 -1.627 9.952 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -0.920 -2.042 11.045 1.00 0.00 O ATOM 1120 OD2 ASP A 82 0.022 -0.502 9.813 1.00 0.00 O ATOM 0 H ASP A 82 -1.242 -3.667 6.645 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.609 -3.280 9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.183 -3.490 8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.067 -2.086 7.910 1.00 0.00 H new ATOM 1125 N THR A 83 -2.588 -0.719 7.017 1.00 0.00 N ATOM 1126 CA THR A 83 -3.220 0.554 6.755 1.00 0.00 C ATOM 1127 C THR A 83 -4.720 0.359 6.569 1.00 0.00 C ATOM 1128 O THR A 83 -5.524 1.199 6.982 1.00 0.00 O ATOM 1129 CB THR A 83 -2.605 1.232 5.516 1.00 0.00 C ATOM 1130 OG1 THR A 83 -1.195 1.383 5.721 1.00 0.00 O ATOM 1131 CG2 THR A 83 -3.229 2.602 5.272 1.00 0.00 C ATOM 0 H THR A 83 -1.999 -1.064 6.259 1.00 0.00 H new ATOM 0 HA THR A 83 -3.050 1.207 7.611 1.00 0.00 H new ATOM 0 HB THR A 83 -2.800 0.608 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.765 0.503 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.775 3.057 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.301 2.490 5.111 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.057 3.240 6.139 1.00 0.00 H new ATOM 1139 N MET A 84 -5.092 -0.776 5.977 1.00 0.00 N ATOM 1140 CA MET A 84 -6.493 -1.123 5.805 1.00 0.00 C ATOM 1141 C MET A 84 -7.154 -1.288 7.166 1.00 0.00 C ATOM 1142 O MET A 84 -8.336 -1.050 7.321 1.00 0.00 O ATOM 1143 CB MET A 84 -6.640 -2.405 4.952 1.00 0.00 C ATOM 1144 CG MET A 84 -8.035 -3.019 4.956 1.00 0.00 C ATOM 1145 SD MET A 84 -8.364 -4.034 6.411 1.00 0.00 S ATOM 1146 CE MET A 84 -7.117 -5.291 6.218 1.00 0.00 C ATOM 0 H MET A 84 -4.438 -1.468 5.610 1.00 0.00 H new ATOM 0 HA MET A 84 -6.995 -0.316 5.272 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.363 -2.174 3.923 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.930 -3.149 5.314 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.776 -2.221 4.903 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.159 -3.629 4.061 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.115 -5.939 7.094 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.332 -5.883 5.329 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.139 -4.821 6.113 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.365 -1.673 8.154 1.00 0.00 N ATOM 1157 CA ARG A 85 -6.872 -1.831 9.504 1.00 0.00 C ATOM 1158 C ARG A 85 -7.149 -0.467 10.118 1.00 0.00 C ATOM 1159 O ARG A 85 -8.165 -0.265 10.784 1.00 0.00 O ATOM 1160 CB ARG A 85 -5.882 -2.601 10.376 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.652 -4.036 9.939 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.765 -4.772 10.926 1.00 0.00 C ATOM 1163 NE ARG A 85 -5.337 -4.760 12.275 1.00 0.00 N ATOM 1164 CZ ARG A 85 -4.711 -5.196 13.372 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -3.491 -5.725 13.289 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -5.310 -5.102 14.555 1.00 0.00 N ATOM 0 H ARG A 85 -5.372 -1.881 8.046 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.800 -2.401 9.454 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.927 -2.075 10.373 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.244 -2.600 11.404 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.609 -4.551 9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.191 -4.049 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.629 -5.802 10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.778 -4.310 10.944 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.282 -4.392 12.385 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.028 -5.799 12.383 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.020 -6.055 14.131 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.244 -4.698 14.623 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.835 -5.434 15.395 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.240 0.468 9.877 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.364 1.820 10.394 1.00 0.00 C ATOM 1182 C ALA A 86 -7.567 2.544 9.795 1.00 0.00 C ATOM 1183 O ALA A 86 -8.425 3.039 10.523 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.087 2.605 10.134 1.00 0.00 C ATOM 0 H ALA A 86 -5.400 0.310 9.320 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.524 1.750 11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.195 3.616 10.527 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.250 2.111 10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.900 2.651 9.061 1.00 0.00 H new ATOM 1190 N ILE A 87 -7.645 2.590 8.470 1.00 0.00 N ATOM 1191 CA ILE A 87 -8.741 3.306 7.809 1.00 0.00 C ATOM 1192 C ILE A 87 -9.937 2.398 7.525 1.00 0.00 C ATOM 1193 O ILE A 87 -10.909 2.815 6.900 1.00 0.00 O ATOM 1194 CB ILE A 87 -8.277 4.028 6.501 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -7.506 3.083 5.551 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -7.426 5.244 6.842 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -8.378 2.115 4.773 1.00 0.00 C ATOM 0 H ILE A 87 -6.977 2.150 7.837 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.064 4.072 8.514 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.175 4.352 5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.937 3.686 4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.785 2.512 6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.110 5.737 5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.010 5.940 7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.547 4.927 7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.751 1.493 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.928 1.481 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.082 2.674 4.157 1.00 0.00 H new ATOM 1209 N GLY A 88 -9.861 1.165 8.004 1.00 0.00 N ATOM 1210 CA GLY A 88 -10.933 0.202 7.793 1.00 0.00 C ATOM 1211 C GLY A 88 -12.121 0.434 8.700 1.00 0.00 C ATOM 1212 O GLY A 88 -13.108 -0.305 8.645 1.00 0.00 O ATOM 0 H GLY A 88 -9.070 0.808 8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.260 0.252 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.548 -0.804 7.958 1.00 0.00 H new ATOM 1216 N LYS A 89 -12.028 1.444 9.543 1.00 0.00 N ATOM 1217 CA LYS A 89 -13.096 1.788 10.450 1.00 0.00 C ATOM 1218 C LYS A 89 -13.359 3.288 10.376 1.00 0.00 C ATOM 1219 O LYS A 89 -12.729 4.078 11.083 1.00 0.00 O ATOM 1220 CB LYS A 89 -12.735 1.370 11.884 1.00 0.00 C ATOM 1221 CG LYS A 89 -13.796 1.709 12.916 1.00 0.00 C ATOM 1222 CD LYS A 89 -13.368 1.289 14.312 1.00 0.00 C ATOM 1223 CE LYS A 89 -14.400 1.689 15.355 1.00 0.00 C ATOM 1224 NZ LYS A 89 -15.713 1.042 15.119 1.00 0.00 N ATOM 0 H LYS A 89 -11.208 2.047 9.615 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.001 1.254 10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.556 0.295 11.903 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.800 1.854 12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.990 2.781 12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.730 1.212 12.656 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.221 0.209 14.339 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.409 1.747 14.553 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.036 1.418 16.346 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.523 2.772 15.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.332 1.205 15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.152 1.447 14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.577 0.020 14.985 1.00 0.00 H new ATOM 1238 N LYS A 90 -14.259 3.676 9.495 1.00 0.00 N ATOM 1239 CA LYS A 90 -14.578 5.078 9.303 1.00 0.00 C ATOM 1240 C LYS A 90 -15.948 5.420 9.882 1.00 0.00 C ATOM 1241 O LYS A 90 -16.000 5.923 11.022 1.00 0.00 O ATOM 1242 CB LYS A 90 -14.482 5.463 7.814 1.00 0.00 C ATOM 1243 CG LYS A 90 -15.210 4.520 6.860 1.00 0.00 C ATOM 1244 CD LYS A 90 -15.066 4.981 5.421 1.00 0.00 C ATOM 1245 CE LYS A 90 -15.792 4.056 4.454 1.00 0.00 C ATOM 1246 NZ LYS A 90 -15.709 4.548 3.052 1.00 0.00 N ATOM 1247 OXT LYS A 90 -16.967 5.176 9.210 1.00 0.00 O ATOM 0 H LYS A 90 -14.785 3.038 8.898 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.841 5.668 9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.885 6.468 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.430 5.503 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.809 3.512 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -16.266 4.472 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.461 5.992 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.009 5.025 5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.362 3.056 4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.838 3.971 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.215 3.892 2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.142 5.491 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.712 4.605 2.763 1.00 0.00 H new TER 1261 LYS A 90