USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 598 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: B 29 LYS NZ :NH3+ -131:sc= -0.284 (180deg=0.125) USER MOD Set 1.2: B 30 LYS NZ :NH3+ -105:sc= -0.314 (180deg=-1.69) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0256 (180deg=-0.259) USER MOD Single : A 10 THR OG1 : rot 70:sc= 0.372 USER MOD Single : A 14 THR OG1 : rot -147:sc= 0.58 USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0507 (180deg=-0.343) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.522 USER MOD Single : A 29 TYR OH : rot -66:sc= 0.1 USER MOD Single : A 31 LYS NZ :NH3+ -107:sc= -0.297 (180deg=-2.51!) USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= -2.78 (180deg=-2.88) USER MOD Single : B 1 TRP N :NH3+ -140:sc= 1.41 (180deg=-0.437) USER MOD Single : B 2 SER OG : rot 150:sc= -0.0253 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ -111:sc= -0.466 (180deg=-2.22) USER MOD Single : B 8 THR OG1 : rot 76:sc= 0.153 USER MOD Single : B 12 THR OG1 : rot -170:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -170:sc= -0.0036 (180deg=-0.113) USER MOD Single : B 15 SER OG : rot 73:sc= 0.236 USER MOD Single : B 16 MET CE :methyl 177:sc= -0.415 (180deg=-0.472) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -174:sc= -1.34 (180deg=-1.41) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.464 -14.862 4.905 1.00 0.00 N ATOM 2 CA GLY A 1 5.943 -13.686 4.169 1.00 0.00 C ATOM 3 C GLY A 1 4.837 -13.086 3.295 1.00 0.00 C ATOM 4 O GLY A 1 4.393 -11.949 3.457 1.00 0.00 O ATOM 0 H1 GLY A 1 6.236 -15.245 5.487 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.670 -14.588 5.519 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.146 -15.587 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.300 -12.935 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.791 -13.966 3.544 1.00 0.00 H new ATOM 10 N VAL A 2 4.386 -13.901 2.335 1.00 0.00 N ATOM 11 CA VAL A 2 3.323 -13.483 1.403 1.00 0.00 C ATOM 12 C VAL A 2 1.966 -13.347 2.114 1.00 0.00 C ATOM 13 O VAL A 2 1.637 -14.018 3.094 1.00 0.00 O ATOM 14 CB VAL A 2 3.235 -14.516 0.249 1.00 0.00 C ATOM 15 CG1 VAL A 2 2.838 -15.928 0.740 1.00 0.00 C ATOM 16 CG2 VAL A 2 2.305 -14.042 -0.891 1.00 0.00 C ATOM 0 H VAL A 2 4.735 -14.847 2.180 1.00 0.00 H new ATOM 0 HA VAL A 2 3.572 -12.500 1.003 1.00 0.00 H new ATOM 0 HB VAL A 2 4.243 -14.591 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.792 -16.609 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.580 -16.287 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.862 -15.884 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.276 -14.798 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.300 -13.886 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.683 -13.106 -1.303 1.00 0.00 H new ATOM 26 N ILE A 3 1.159 -12.431 1.571 1.00 0.00 N ATOM 27 CA ILE A 3 -0.201 -12.181 2.080 1.00 0.00 C ATOM 28 C ILE A 3 -1.232 -13.018 1.297 1.00 0.00 C ATOM 29 O ILE A 3 -1.113 -13.201 0.084 1.00 0.00 O ATOM 30 CB ILE A 3 -0.480 -10.661 1.933 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.461 -9.844 2.853 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.961 -10.294 2.162 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.299 -8.314 2.731 1.00 0.00 C ATOM 0 H ILE A 3 1.421 -11.847 0.777 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.283 -12.475 3.126 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.266 -10.396 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.281 -10.135 3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.493 -10.108 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.091 -9.218 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.582 -10.816 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.257 -10.588 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.995 -7.819 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.510 -8.006 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.722 -8.034 2.991 1.00 0.00 H new ATOM 45 N PRO A 4 -2.270 -13.553 1.957 1.00 0.00 N ATOM 46 CA PRO A 4 -3.327 -14.344 1.300 1.00 0.00 C ATOM 47 C PRO A 4 -4.387 -13.481 0.597 1.00 0.00 C ATOM 48 O PRO A 4 -4.511 -12.269 0.778 1.00 0.00 O ATOM 49 CB PRO A 4 -3.953 -15.114 2.472 1.00 0.00 C ATOM 50 CG PRO A 4 -3.859 -14.110 3.611 1.00 0.00 C ATOM 51 CD PRO A 4 -2.466 -13.495 3.416 1.00 0.00 C ATOM 0 HA PRO A 4 -2.925 -14.974 0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.985 -15.399 2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.407 -16.031 2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.645 -13.357 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.954 -14.593 4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.423 -12.471 3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.699 -14.059 3.947 1.00 0.00 H new ATOM 59 N LYS A 5 -5.198 -14.180 -0.203 1.00 0.00 N ATOM 60 CA LYS A 5 -6.233 -13.555 -1.049 1.00 0.00 C ATOM 61 C LYS A 5 -7.175 -12.637 -0.256 1.00 0.00 C ATOM 62 O LYS A 5 -7.402 -11.473 -0.583 1.00 0.00 O ATOM 63 CB LYS A 5 -7.052 -14.682 -1.724 1.00 0.00 C ATOM 64 CG LYS A 5 -8.119 -14.164 -2.710 1.00 0.00 C ATOM 65 CD LYS A 5 -8.951 -15.301 -3.331 1.00 0.00 C ATOM 66 CE LYS A 5 -9.997 -14.776 -4.335 1.00 0.00 C ATOM 67 NZ LYS A 5 -10.785 -15.899 -4.863 1.00 0.00 N ATOM 0 H LYS A 5 -5.160 -15.196 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.734 -12.928 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.371 -15.347 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.541 -15.277 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.784 -13.474 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.631 -13.600 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.286 -16.002 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.456 -15.854 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.654 -14.056 -3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.500 -14.252 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.489 -15.541 -5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.153 -16.571 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.271 -16.381 -4.080 1.00 0.00 H new ATOM 81 N LYS A 6 -7.723 -13.200 0.827 1.00 0.00 N ATOM 82 CA LYS A 6 -8.691 -12.490 1.686 1.00 0.00 C ATOM 83 C LYS A 6 -8.184 -11.103 2.095 1.00 0.00 C ATOM 84 O LYS A 6 -8.824 -10.076 1.875 1.00 0.00 O ATOM 85 CB LYS A 6 -8.976 -13.362 2.935 1.00 0.00 C ATOM 86 CG LYS A 6 -10.056 -12.810 3.902 1.00 0.00 C ATOM 87 CD LYS A 6 -9.591 -11.629 4.790 1.00 0.00 C ATOM 88 CE LYS A 6 -10.680 -11.153 5.772 1.00 0.00 C ATOM 89 NZ LYS A 6 -11.032 -12.237 6.701 1.00 0.00 N ATOM 0 H LYS A 6 -7.514 -14.150 1.134 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.611 -12.331 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.284 -14.353 2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.046 -13.486 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.917 -12.489 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.394 -13.621 4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.707 -11.930 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.294 -10.796 4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.324 -10.287 6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.565 -10.835 5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.579 -11.849 7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.603 -12.950 6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.163 -12.680 7.063 1.00 0.00 H new ATOM 103 N ILE A 7 -6.983 -11.093 2.684 1.00 0.00 N ATOM 104 CA ILE A 7 -6.363 -9.855 3.192 1.00 0.00 C ATOM 105 C ILE A 7 -6.279 -8.754 2.120 1.00 0.00 C ATOM 106 O ILE A 7 -6.633 -7.600 2.347 1.00 0.00 O ATOM 107 CB ILE A 7 -4.960 -10.181 3.766 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.043 -11.147 4.977 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.137 -8.915 4.115 1.00 0.00 C ATOM 110 CD1 ILE A 7 -5.767 -10.566 6.208 1.00 0.00 C ATOM 0 H ILE A 7 -6.416 -11.929 2.823 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.999 -9.460 3.984 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.422 -10.690 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.556 -12.057 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.032 -11.434 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.166 -9.210 4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.995 -8.315 3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.671 -8.328 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.779 -11.308 7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.244 -9.673 6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.791 -10.306 5.939 1.00 0.00 H new ATOM 122 N TRP A 8 -5.802 -9.134 0.928 1.00 0.00 N ATOM 123 CA TRP A 8 -5.688 -8.188 -0.202 1.00 0.00 C ATOM 124 C TRP A 8 -7.015 -7.496 -0.540 1.00 0.00 C ATOM 125 O TRP A 8 -7.135 -6.273 -0.626 1.00 0.00 O ATOM 126 CB TRP A 8 -5.183 -8.923 -1.464 1.00 0.00 C ATOM 127 CG TRP A 8 -3.716 -9.319 -1.299 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.186 -10.619 -1.305 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.612 -8.462 -1.145 1.00 0.00 C ATOM 130 NE1 TRP A 8 -1.835 -10.594 -1.163 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.459 -9.284 -1.066 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.484 -7.073 -1.094 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.205 -8.687 -0.936 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.222 -6.491 -0.972 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.086 -7.297 -0.893 1.00 0.00 C ATOM 0 H TRP A 8 -5.489 -10.082 0.716 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.979 -7.422 0.112 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.788 -9.812 -1.642 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.297 -8.280 -2.337 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.774 -11.519 -1.409 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.216 -11.404 -1.134 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.363 -6.448 -1.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.679 -9.304 -0.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.124 -5.416 -0.939 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.890 -6.843 -0.798 1.00 0.00 H new ATOM 146 N GLU A 9 -8.036 -8.330 -0.743 1.00 0.00 N ATOM 147 CA GLU A 9 -9.385 -7.854 -1.093 1.00 0.00 C ATOM 148 C GLU A 9 -10.020 -6.972 -0.008 1.00 0.00 C ATOM 149 O GLU A 9 -10.802 -6.058 -0.274 1.00 0.00 O ATOM 150 CB GLU A 9 -10.286 -9.060 -1.439 1.00 0.00 C ATOM 151 CG GLU A 9 -10.148 -9.554 -2.902 1.00 0.00 C ATOM 152 CD GLU A 9 -8.693 -9.886 -3.281 1.00 0.00 C ATOM 153 OE1 GLU A 9 -7.923 -8.967 -3.561 1.00 0.00 O ATOM 154 OE2 GLU A 9 -8.347 -11.065 -3.303 1.00 0.00 O ATOM 0 H GLU A 9 -7.958 -9.345 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.287 -7.211 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.048 -9.883 -0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.325 -8.788 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.767 -10.440 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.530 -8.788 -3.577 1.00 0.00 H new ATOM 161 N THR A 10 -9.684 -7.272 1.251 1.00 0.00 N ATOM 162 CA THR A 10 -10.106 -6.419 2.379 1.00 0.00 C ATOM 163 C THR A 10 -9.522 -5.008 2.229 1.00 0.00 C ATOM 164 O THR A 10 -10.208 -3.986 2.300 1.00 0.00 O ATOM 165 CB THR A 10 -9.663 -7.047 3.726 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.283 -8.328 3.877 1.00 0.00 O ATOM 167 CG2 THR A 10 -10.027 -6.176 4.947 1.00 0.00 C ATOM 0 H THR A 10 -9.129 -8.085 1.518 1.00 0.00 H new ATOM 0 HA THR A 10 -11.194 -6.347 2.372 1.00 0.00 H new ATOM 0 HB THR A 10 -8.577 -7.131 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.892 -8.958 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.691 -6.669 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.540 -5.205 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.108 -6.038 4.986 1.00 0.00 H new ATOM 175 N VAL A 11 -8.204 -4.970 2.011 1.00 0.00 N ATOM 176 CA VAL A 11 -7.484 -3.694 1.833 1.00 0.00 C ATOM 177 C VAL A 11 -7.489 -3.206 0.371 1.00 0.00 C ATOM 178 O VAL A 11 -6.598 -2.492 -0.086 1.00 0.00 O ATOM 179 CB VAL A 11 -6.027 -3.847 2.351 1.00 0.00 C ATOM 180 CG1 VAL A 11 -6.000 -4.293 3.827 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.146 -4.767 1.473 1.00 0.00 C ATOM 0 H VAL A 11 -7.613 -5.799 1.953 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.008 -2.935 2.414 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.584 -2.854 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.966 -4.391 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.509 -3.550 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.505 -5.254 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.144 -4.825 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.583 -5.765 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.089 -4.361 0.463 1.00 0.00 H new ATOM 191 N CYS A 12 -8.535 -3.577 -0.377 1.00 0.00 N ATOM 192 CA CYS A 12 -8.684 -3.106 -1.770 1.00 0.00 C ATOM 193 C CYS A 12 -8.740 -1.571 -1.854 1.00 0.00 C ATOM 194 O CYS A 12 -7.885 -0.952 -2.487 1.00 0.00 O ATOM 195 CB CYS A 12 -9.942 -3.716 -2.430 1.00 0.00 C ATOM 196 SG CYS A 12 -9.566 -4.975 -3.676 1.00 0.00 S ATOM 0 H CYS A 12 -9.282 -4.191 -0.053 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.801 -3.442 -2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.570 -4.158 -1.657 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.522 -2.918 -2.894 1.00 0.00 H new ATOM 201 N PRO A 13 -9.720 -0.914 -1.213 1.00 0.00 N ATOM 202 CA PRO A 13 -9.838 0.556 -1.204 1.00 0.00 C ATOM 203 C PRO A 13 -8.698 1.237 -0.433 1.00 0.00 C ATOM 204 O PRO A 13 -8.239 2.333 -0.750 1.00 0.00 O ATOM 205 CB PRO A 13 -11.196 0.810 -0.531 1.00 0.00 C ATOM 206 CG PRO A 13 -11.344 -0.373 0.412 1.00 0.00 C ATOM 207 CD PRO A 13 -10.793 -1.540 -0.419 1.00 0.00 C ATOM 0 HA PRO A 13 -9.772 0.973 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.207 1.758 0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.006 0.848 -1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.779 -0.230 1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.383 -0.535 0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.410 -2.340 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.561 -1.978 -1.056 1.00 0.00 H new ATOM 215 N THR A 14 -8.256 0.550 0.625 1.00 0.00 N ATOM 216 CA THR A 14 -7.173 1.044 1.497 1.00 0.00 C ATOM 217 C THR A 14 -5.893 1.358 0.702 1.00 0.00 C ATOM 218 O THR A 14 -5.364 2.470 0.702 1.00 0.00 O ATOM 219 CB THR A 14 -6.880 -0.033 2.575 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.070 -0.289 3.330 1.00 0.00 O ATOM 221 CG2 THR A 14 -5.751 0.366 3.549 1.00 0.00 C ATOM 0 H THR A 14 -8.631 -0.357 0.904 1.00 0.00 H new ATOM 0 HA THR A 14 -7.496 1.975 1.963 1.00 0.00 H new ATOM 0 HB THR A 14 -6.548 -0.924 2.042 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.830 -0.511 4.254 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.599 -0.432 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.829 0.529 2.990 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.027 1.283 4.069 1.00 0.00 H new ATOM 229 N VAL A 15 -5.407 0.334 -0.003 1.00 0.00 N ATOM 230 CA VAL A 15 -4.153 0.435 -0.774 1.00 0.00 C ATOM 231 C VAL A 15 -4.299 1.272 -2.056 1.00 0.00 C ATOM 232 O VAL A 15 -3.383 1.971 -2.485 1.00 0.00 O ATOM 233 CB VAL A 15 -3.593 -0.972 -1.111 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.442 -1.846 0.152 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.370 -1.700 -2.233 1.00 0.00 C ATOM 0 H VAL A 15 -5.859 -0.579 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.444 0.959 -0.133 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.595 -0.802 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.047 -2.823 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.757 -1.363 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.415 -1.970 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.920 -2.676 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.409 -1.829 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.329 -1.108 -3.147 1.00 0.00 H new ATOM 245 N GLU A 16 -5.492 1.183 -2.662 1.00 0.00 N ATOM 246 CA GLU A 16 -5.782 1.776 -3.987 1.00 0.00 C ATOM 247 C GLU A 16 -5.166 3.168 -4.220 1.00 0.00 C ATOM 248 O GLU A 16 -4.380 3.335 -5.150 1.00 0.00 O ATOM 249 CB GLU A 16 -7.319 1.807 -4.204 1.00 0.00 C ATOM 250 CG GLU A 16 -7.795 2.352 -5.579 1.00 0.00 C ATOM 251 CD GLU A 16 -7.570 3.867 -5.716 1.00 0.00 C ATOM 252 OE1 GLU A 16 -8.133 4.627 -4.926 1.00 0.00 O ATOM 253 OE2 GLU A 16 -6.837 4.277 -6.616 1.00 0.00 O ATOM 0 H GLU A 16 -6.289 0.697 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.300 1.136 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.705 0.795 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.766 2.416 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.262 1.834 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.855 2.131 -5.708 1.00 0.00 H new ATOM 260 N PRO A 17 -5.470 4.191 -3.404 1.00 0.00 N ATOM 261 CA PRO A 17 -5.010 5.571 -3.640 1.00 0.00 C ATOM 262 C PRO A 17 -3.483 5.704 -3.646 1.00 0.00 C ATOM 263 O PRO A 17 -2.878 6.386 -4.474 1.00 0.00 O ATOM 264 CB PRO A 17 -5.637 6.376 -2.488 1.00 0.00 C ATOM 265 CG PRO A 17 -5.799 5.344 -1.383 1.00 0.00 C ATOM 266 CD PRO A 17 -6.242 4.096 -2.154 1.00 0.00 C ATOM 0 HA PRO A 17 -5.311 5.927 -4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.994 7.200 -2.177 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.595 6.810 -2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.866 5.178 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.542 5.651 -0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.014 3.181 -1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.316 4.097 -2.341 1.00 0.00 H new ATOM 274 N TRP A 18 -2.855 5.023 -2.684 1.00 0.00 N ATOM 275 CA TRP A 18 -1.388 5.064 -2.546 1.00 0.00 C ATOM 276 C TRP A 18 -0.691 4.410 -3.747 1.00 0.00 C ATOM 277 O TRP A 18 0.079 5.026 -4.478 1.00 0.00 O ATOM 278 CB TRP A 18 -0.935 4.360 -1.249 1.00 0.00 C ATOM 279 CG TRP A 18 -1.680 4.920 -0.032 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.929 6.271 0.266 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.227 4.193 1.039 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.598 6.393 1.442 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.793 5.136 1.935 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.276 2.829 1.333 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.407 4.681 3.103 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -2.890 2.393 2.509 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.458 3.315 3.390 1.00 0.00 C ATOM 0 H TRP A 18 -3.329 4.441 -1.993 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.102 6.115 -2.505 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.117 3.288 -1.330 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.139 4.492 -1.115 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.629 7.101 -0.357 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.899 7.265 1.877 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.840 2.113 0.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.846 5.390 3.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.926 1.338 2.738 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.938 2.972 4.295 1.00 0.00 H new ATOM 298 N ALA A 19 -1.005 3.126 -3.946 1.00 0.00 N ATOM 299 CA ALA A 19 -0.423 2.315 -5.037 1.00 0.00 C ATOM 300 C ALA A 19 -0.544 2.987 -6.411 1.00 0.00 C ATOM 301 O ALA A 19 0.376 3.012 -7.231 1.00 0.00 O ATOM 302 CB ALA A 19 -1.132 0.943 -5.069 1.00 0.00 C ATOM 0 H ALA A 19 -1.666 2.615 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 19 0.642 2.203 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.712 0.335 -5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.988 0.436 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.198 1.088 -5.245 1.00 0.00 H new ATOM 308 N LYS A 20 -1.738 3.537 -6.654 1.00 0.00 N ATOM 309 CA LYS A 20 -2.020 4.308 -7.880 1.00 0.00 C ATOM 310 C LYS A 20 -1.025 5.469 -8.020 1.00 0.00 C ATOM 311 O LYS A 20 -0.332 5.644 -9.023 1.00 0.00 O ATOM 312 CB LYS A 20 -3.481 4.818 -7.800 1.00 0.00 C ATOM 313 CG LYS A 20 -4.011 5.563 -9.048 1.00 0.00 C ATOM 314 CD LYS A 20 -3.456 6.995 -9.231 1.00 0.00 C ATOM 315 CE LYS A 20 -4.087 7.731 -10.430 1.00 0.00 C ATOM 316 NZ LYS A 20 -5.533 7.896 -10.217 1.00 0.00 N ATOM 0 H LYS A 20 -2.532 3.465 -6.017 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.904 3.680 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.132 3.965 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.565 5.484 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.767 4.978 -9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.098 5.614 -8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.637 7.569 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.376 6.946 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.617 8.706 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.908 7.169 -11.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.901 8.612 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.014 6.990 -10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.707 8.203 -9.239 1.00 0.00 H new ATOM 330 N LYS A 21 -0.969 6.279 -6.959 1.00 0.00 N ATOM 331 CA LYS A 21 -0.004 7.390 -6.868 1.00 0.00 C ATOM 332 C LYS A 21 1.355 6.912 -6.322 1.00 0.00 C ATOM 333 O LYS A 21 1.935 7.436 -5.368 1.00 0.00 O ATOM 334 CB LYS A 21 -0.597 8.482 -5.951 1.00 0.00 C ATOM 335 CG LYS A 21 -1.909 9.090 -6.492 1.00 0.00 C ATOM 336 CD LYS A 21 -2.501 10.161 -5.553 1.00 0.00 C ATOM 337 CE LYS A 21 -1.573 11.378 -5.356 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.207 12.335 -4.438 1.00 0.00 N ATOM 0 H LYS A 21 -1.580 6.190 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 21 0.172 7.792 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.782 8.057 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.138 9.277 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.723 9.533 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.641 8.295 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.455 10.501 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.708 9.710 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.612 11.055 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.374 11.856 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.582 13.155 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.113 12.652 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.376 11.876 -3.520 1.00 0.00 H new ATOM 352 N CYS A 22 1.883 5.871 -6.969 1.00 0.00 N ATOM 353 CA CYS A 22 3.164 5.268 -6.555 1.00 0.00 C ATOM 354 C CYS A 22 3.764 4.433 -7.693 1.00 0.00 C ATOM 355 O CYS A 22 3.142 4.125 -8.710 1.00 0.00 O ATOM 356 CB CYS A 22 2.937 4.366 -5.316 1.00 0.00 C ATOM 357 SG CYS A 22 4.487 3.824 -4.559 1.00 0.00 S ATOM 0 H CYS A 22 1.451 5.426 -7.778 1.00 0.00 H new ATOM 0 HA CYS A 22 3.860 6.069 -6.306 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.347 4.910 -4.578 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.355 3.492 -5.609 1.00 0.00 H new ATOM 362 N SER A 23 5.024 4.045 -7.483 1.00 0.00 N ATOM 363 CA SER A 23 5.789 3.293 -8.496 1.00 0.00 C ATOM 364 C SER A 23 6.753 2.290 -7.844 1.00 0.00 C ATOM 365 O SER A 23 6.863 2.141 -6.625 1.00 0.00 O ATOM 366 CB SER A 23 6.588 4.302 -9.358 1.00 0.00 C ATOM 367 OG SER A 23 5.688 5.190 -10.032 1.00 0.00 O ATOM 0 H SER A 23 5.540 4.236 -6.624 1.00 0.00 H new ATOM 0 HA SER A 23 5.093 2.726 -9.114 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.270 4.872 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.198 3.768 -10.086 1.00 0.00 H new ATOM 0 HG SER A 23 6.200 5.826 -10.574 1.00 0.00 H new ATOM 373 N GLY A 24 7.472 1.579 -8.717 1.00 0.00 N ATOM 374 CA GLY A 24 8.418 0.533 -8.287 1.00 0.00 C ATOM 375 C GLY A 24 7.771 -0.856 -8.234 1.00 0.00 C ATOM 376 O GLY A 24 6.578 -1.068 -8.454 1.00 0.00 O ATOM 0 H GLY A 24 7.420 1.705 -9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.265 0.510 -8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.811 0.785 -7.302 1.00 0.00 H new ATOM 380 N ASP A 25 8.625 -1.829 -7.910 1.00 0.00 N ATOM 381 CA ASP A 25 8.242 -3.256 -7.893 1.00 0.00 C ATOM 382 C ASP A 25 7.086 -3.555 -6.930 1.00 0.00 C ATOM 383 O ASP A 25 6.110 -4.234 -7.249 1.00 0.00 O ATOM 384 CB ASP A 25 9.469 -4.104 -7.487 1.00 0.00 C ATOM 385 CG ASP A 25 10.619 -3.887 -8.481 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.487 -4.291 -9.638 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.633 -3.310 -8.090 1.00 0.00 O ATOM 0 H ASP A 25 9.597 -1.659 -7.652 1.00 0.00 H new ATOM 0 HA ASP A 25 7.900 -3.510 -8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.792 -3.831 -6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.197 -5.159 -7.459 1.00 0.00 H new ATOM 392 N ILE A 26 7.224 -3.029 -5.711 1.00 0.00 N ATOM 393 CA ILE A 26 6.226 -3.249 -4.645 1.00 0.00 C ATOM 394 C ILE A 26 4.844 -2.709 -5.048 1.00 0.00 C ATOM 395 O ILE A 26 3.810 -3.359 -4.905 1.00 0.00 O ATOM 396 CB ILE A 26 6.693 -2.574 -3.332 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.145 -2.950 -2.943 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.721 -2.894 -2.175 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.366 -4.461 -2.717 1.00 0.00 C ATOM 0 H ILE A 26 8.014 -2.447 -5.431 1.00 0.00 H new ATOM 0 HA ILE A 26 6.136 -4.324 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 26 6.685 -1.500 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.820 -2.608 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.416 -2.414 -2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.069 -2.409 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.725 -2.526 -2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.682 -3.972 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.407 -4.640 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.719 -4.807 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.129 -5.004 -3.632 1.00 0.00 H new ATOM 411 N ALA A 27 4.846 -1.472 -5.557 1.00 0.00 N ATOM 412 CA ALA A 27 3.612 -0.821 -6.038 1.00 0.00 C ATOM 413 C ALA A 27 2.869 -1.683 -7.071 1.00 0.00 C ATOM 414 O ALA A 27 1.654 -1.873 -7.034 1.00 0.00 O ATOM 415 CB ALA A 27 3.961 0.545 -6.664 1.00 0.00 C ATOM 0 H ALA A 27 5.685 -0.898 -5.648 1.00 0.00 H new ATOM 0 HA ALA A 27 2.952 -0.688 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.050 1.026 -7.019 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.437 1.178 -5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.644 0.398 -7.501 1.00 0.00 H new ATOM 421 N THR A 28 3.651 -2.213 -8.017 1.00 0.00 N ATOM 422 CA THR A 28 3.124 -3.089 -9.085 1.00 0.00 C ATOM 423 C THR A 28 2.438 -4.341 -8.516 1.00 0.00 C ATOM 424 O THR A 28 1.338 -4.735 -8.904 1.00 0.00 O ATOM 425 CB THR A 28 4.287 -3.502 -10.023 1.00 0.00 C ATOM 426 OG1 THR A 28 4.895 -2.328 -10.569 1.00 0.00 O ATOM 427 CG2 THR A 28 3.830 -4.407 -11.187 1.00 0.00 C ATOM 0 H THR A 28 4.657 -2.053 -8.070 1.00 0.00 H new ATOM 0 HA THR A 28 2.370 -2.531 -9.641 1.00 0.00 H new ATOM 0 HB THR A 28 4.994 -4.072 -9.419 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.464 -1.908 -9.890 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.689 -4.662 -11.808 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.388 -5.319 -10.787 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.090 -3.879 -11.789 1.00 0.00 H new ATOM 435 N TYR A 29 3.133 -4.982 -7.568 1.00 0.00 N ATOM 436 CA TYR A 29 2.629 -6.204 -6.915 1.00 0.00 C ATOM 437 C TYR A 29 1.257 -5.985 -6.264 1.00 0.00 C ATOM 438 O TYR A 29 0.267 -6.642 -6.575 1.00 0.00 O ATOM 439 CB TYR A 29 3.656 -6.671 -5.855 1.00 0.00 C ATOM 440 CG TYR A 29 3.156 -7.803 -4.983 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.782 -9.025 -5.550 1.00 0.00 C ATOM 442 CD2 TYR A 29 3.062 -7.621 -3.599 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.315 -10.059 -4.736 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.599 -8.654 -2.786 1.00 0.00 C ATOM 445 CZ TYR A 29 2.222 -9.876 -3.354 1.00 0.00 C ATOM 446 OH TYR A 29 1.758 -10.896 -2.548 1.00 0.00 O ATOM 0 H TYR A 29 4.047 -4.677 -7.234 1.00 0.00 H new ATOM 0 HA TYR A 29 2.502 -6.972 -7.678 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.568 -6.989 -6.360 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.921 -5.825 -5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.854 -9.169 -6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.349 -6.677 -3.159 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.025 -11.002 -5.176 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.531 -8.511 -1.718 1.00 0.00 H new ATOM 0 HH TYR A 29 0.813 -11.064 -2.745 1.00 0.00 H new ATOM 456 N ILE A 30 1.224 -5.018 -5.343 1.00 0.00 N ATOM 457 CA ILE A 30 0.000 -4.644 -4.606 1.00 0.00 C ATOM 458 C ILE A 30 -1.182 -4.374 -5.550 1.00 0.00 C ATOM 459 O ILE A 30 -2.315 -4.812 -5.351 1.00 0.00 O ATOM 460 CB ILE A 30 0.307 -3.379 -3.759 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.418 -3.655 -2.718 1.00 0.00 C ATOM 462 CG2 ILE A 30 -0.962 -2.818 -3.073 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.972 -2.365 -2.077 1.00 0.00 C ATOM 0 H ILE A 30 2.043 -4.468 -5.083 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.290 -5.476 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 30 0.669 -2.617 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.023 -4.303 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.233 -4.195 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.701 -1.934 -2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.697 -2.549 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.383 -3.575 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.748 -2.621 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.394 -1.726 -2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.166 -1.835 -1.570 1.00 0.00 H new ATOM 475 N LYS A 31 -0.878 -3.619 -6.611 1.00 0.00 N ATOM 476 CA LYS A 31 -1.873 -3.249 -7.633 1.00 0.00 C ATOM 477 C LYS A 31 -2.553 -4.485 -8.247 1.00 0.00 C ATOM 478 O LYS A 31 -3.762 -4.542 -8.469 1.00 0.00 O ATOM 479 CB LYS A 31 -1.172 -2.428 -8.740 1.00 0.00 C ATOM 480 CG LYS A 31 -2.144 -1.806 -9.769 1.00 0.00 C ATOM 481 CD LYS A 31 -3.137 -0.794 -9.153 1.00 0.00 C ATOM 482 CE LYS A 31 -2.442 0.418 -8.493 1.00 0.00 C ATOM 483 NZ LYS A 31 -3.456 1.316 -7.922 1.00 0.00 N ATOM 0 H LYS A 31 0.055 -3.248 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.652 -2.655 -7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.592 -1.631 -8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.466 -3.072 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.566 -1.307 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.706 -2.604 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.812 -0.438 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.749 -1.303 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.761 0.079 -7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.842 0.952 -9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.532 2.171 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.375 0.830 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.179 1.582 -6.956 1.00 0.00 H new ATOM 497 N ARG A 32 -1.726 -5.495 -8.536 1.00 0.00 N ATOM 498 CA ARG A 32 -2.213 -6.784 -9.067 1.00 0.00 C ATOM 499 C ARG A 32 -3.183 -7.487 -8.106 1.00 0.00 C ATOM 500 O ARG A 32 -4.203 -8.055 -8.494 1.00 0.00 O ATOM 501 CB ARG A 32 -1.011 -7.714 -9.351 1.00 0.00 C ATOM 502 CG ARG A 32 -1.426 -9.081 -9.936 1.00 0.00 C ATOM 503 CD ARG A 32 -0.224 -10.012 -10.167 1.00 0.00 C ATOM 504 NE ARG A 32 -0.710 -11.307 -10.676 1.00 0.00 N ATOM 505 CZ ARG A 32 0.125 -12.306 -10.969 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.441 -12.179 -10.817 1.00 0.00 N ATOM 507 NH2 ARG A 32 -0.371 -13.452 -11.427 1.00 0.00 N ATOM 0 H ARG A 32 -0.714 -5.450 -8.413 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.758 -6.570 -9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.333 -7.219 -10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.457 -7.875 -8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.130 -9.564 -9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.948 -8.925 -10.880 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.468 -9.563 -10.880 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.325 -10.156 -9.236 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.712 -11.443 -10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.832 -11.303 -10.470 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.059 -12.957 -11.048 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.378 -13.559 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.256 -14.224 -11.655 1.00 0.00 H new ATOM 521 N GLU A 33 -2.840 -7.455 -6.814 1.00 0.00 N ATOM 522 CA GLU A 33 -3.591 -8.216 -5.796 1.00 0.00 C ATOM 523 C GLU A 33 -5.086 -7.862 -5.778 1.00 0.00 C ATOM 524 O GLU A 33 -5.971 -8.695 -5.984 1.00 0.00 O ATOM 525 CB GLU A 33 -2.990 -7.971 -4.395 1.00 0.00 C ATOM 526 CG GLU A 33 -1.456 -8.144 -4.303 1.00 0.00 C ATOM 527 CD GLU A 33 -1.008 -9.505 -4.851 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.818 -9.624 -6.062 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.866 -10.439 -4.063 1.00 0.00 O ATOM 0 H GLU A 33 -2.056 -6.917 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.504 -9.269 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.246 -6.960 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.461 -8.655 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.965 -7.347 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.140 -8.047 -3.264 1.00 0.00 H new ATOM 536 N CYS A 34 -5.361 -6.577 -5.529 1.00 0.00 N ATOM 537 CA CYS A 34 -6.745 -6.066 -5.554 1.00 0.00 C ATOM 538 C CYS A 34 -7.311 -6.024 -6.983 1.00 0.00 C ATOM 539 O CYS A 34 -8.386 -6.537 -7.292 1.00 0.00 O ATOM 540 CB CYS A 34 -6.805 -4.650 -4.941 1.00 0.00 C ATOM 541 SG CYS A 34 -8.482 -3.970 -5.053 1.00 0.00 S ATOM 0 H CYS A 34 -4.655 -5.874 -5.310 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.353 -6.751 -4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.492 -4.687 -3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.106 -3.994 -5.460 1.00 0.00 H new ATOM 546 N GLY A 35 -6.542 -5.379 -7.867 1.00 0.00 N ATOM 547 CA GLY A 35 -6.971 -5.124 -9.257 1.00 0.00 C ATOM 548 C GLY A 35 -7.266 -6.409 -10.038 1.00 0.00 C ATOM 549 O GLY A 35 -8.394 -6.705 -10.431 1.00 0.00 O ATOM 0 H GLY A 35 -5.613 -5.020 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.864 -4.499 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.193 -4.562 -9.774 1.00 0.00 H new ATOM 553 N LYS A 36 -6.200 -7.178 -10.275 1.00 0.00 N ATOM 554 CA LYS A 36 -6.320 -8.496 -10.927 1.00 0.00 C ATOM 555 C LYS A 36 -6.953 -9.491 -9.941 1.00 0.00 C ATOM 556 O LYS A 36 -6.310 -10.169 -9.137 1.00 0.00 O ATOM 557 CB LYS A 36 -4.928 -8.979 -11.415 1.00 0.00 C ATOM 558 CG LYS A 36 -4.989 -10.094 -12.488 1.00 0.00 C ATOM 559 CD LYS A 36 -5.549 -11.454 -12.009 1.00 0.00 C ATOM 560 CE LYS A 36 -4.648 -12.164 -10.974 1.00 0.00 C ATOM 561 NZ LYS A 36 -3.373 -12.537 -11.602 1.00 0.00 N ATOM 0 H LYS A 36 -5.245 -6.917 -10.028 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.965 -8.422 -11.803 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.381 -8.128 -11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.361 -9.344 -10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.601 -9.741 -13.318 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.984 -10.253 -12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.536 -11.298 -11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.681 -12.107 -12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.467 -11.507 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.149 -13.052 -10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.782 -13.045 -10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.556 -13.152 -12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.877 -11.679 -11.917 1.00 0.00 H new ATOM 575 N LEU A 37 -8.284 -9.534 -9.999 1.00 0.00 N ATOM 576 CA LEU A 37 -9.091 -10.341 -9.068 1.00 0.00 C ATOM 577 C LEU A 37 -10.499 -10.567 -9.642 1.00 0.00 C ATOM 578 O LEU A 37 -11.170 -9.591 -9.981 1.00 0.00 O ATOM 579 CB LEU A 37 -9.156 -9.581 -7.712 1.00 0.00 C ATOM 580 CG LEU A 37 -9.885 -10.276 -6.534 1.00 0.00 C ATOM 581 CD1 LEU A 37 -11.424 -10.279 -6.663 1.00 0.00 C ATOM 582 CD2 LEU A 37 -9.350 -11.704 -6.298 1.00 0.00 C ATOM 583 OXT LEU A 37 -10.908 -11.722 -9.746 1.00 0.00 O ATOM 0 H LEU A 37 -8.835 -9.017 -10.685 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.639 -11.322 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.134 -9.369 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.641 -8.621 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.657 -9.669 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.860 -10.783 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.788 -9.252 -6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.712 -10.804 -7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.885 -12.160 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.501 -12.302 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.286 -11.660 -6.066 1.00 0.00 H new TER 595 LEU A 37 ATOM 596 N TRP B 1 -12.653 -1.875 8.448 1.00 0.00 N ATOM 597 CA TRP B 1 -12.408 -3.279 8.084 1.00 0.00 C ATOM 598 C TRP B 1 -11.788 -4.083 9.236 1.00 0.00 C ATOM 599 O TRP B 1 -12.425 -4.949 9.837 1.00 0.00 O ATOM 600 CB TRP B 1 -11.567 -3.402 6.785 1.00 0.00 C ATOM 601 CG TRP B 1 -10.497 -2.307 6.670 1.00 0.00 C ATOM 602 CD1 TRP B 1 -10.727 -0.934 6.465 1.00 0.00 C ATOM 603 CD2 TRP B 1 -9.099 -2.445 6.723 1.00 0.00 C ATOM 604 NE1 TRP B 1 -9.560 -0.246 6.385 1.00 0.00 N ATOM 605 CE2 TRP B 1 -8.548 -1.148 6.539 1.00 0.00 C ATOM 606 CE3 TRP B 1 -8.256 -3.541 6.909 1.00 0.00 C ATOM 607 CZ2 TRP B 1 -7.162 -0.989 6.528 1.00 0.00 C ATOM 608 CZ3 TRP B 1 -6.872 -3.363 6.898 1.00 0.00 C ATOM 609 CH2 TRP B 1 -6.327 -2.093 6.702 1.00 0.00 C ATOM 0 H1 TRP B 1 -13.564 -1.567 8.051 1.00 0.00 H new ATOM 0 H2 TRP B 1 -12.678 -1.784 9.484 1.00 0.00 H new ATOM 0 H3 TRP B 1 -11.890 -1.279 8.067 1.00 0.00 H new ATOM 0 HA TRP B 1 -13.384 -3.720 7.882 1.00 0.00 H new ATOM 0 HB2 TRP B 1 -11.086 -4.380 6.759 1.00 0.00 H new ATOM 0 HB3 TRP B 1 -12.230 -3.350 5.921 1.00 0.00 H new ATOM 0 HD1 TRP B 1 -11.706 -0.486 6.382 1.00 0.00 H new ATOM 0 HE1 TRP B 1 -9.458 0.758 6.237 1.00 0.00 H new ATOM 0 HE3 TRP B 1 -8.674 -4.525 7.061 1.00 0.00 H new ATOM 0 HZ2 TRP B 1 -6.734 -0.008 6.384 1.00 0.00 H new ATOM 0 HZ3 TRP B 1 -6.220 -4.212 7.042 1.00 0.00 H new ATOM 0 HH2 TRP B 1 -5.255 -1.965 6.685 1.00 0.00 H new ATOM 622 N SER B 2 -10.526 -3.778 9.560 1.00 0.00 N ATOM 623 CA SER B 2 -9.836 -4.465 10.672 1.00 0.00 C ATOM 624 C SER B 2 -8.497 -3.808 11.033 1.00 0.00 C ATOM 625 O SER B 2 -7.800 -3.181 10.235 1.00 0.00 O ATOM 626 CB SER B 2 -9.571 -5.941 10.280 1.00 0.00 C ATOM 627 OG SER B 2 -8.896 -6.627 11.341 1.00 0.00 O ATOM 0 H SER B 2 -9.965 -3.074 9.081 1.00 0.00 H new ATOM 0 HA SER B 2 -10.488 -4.398 11.543 1.00 0.00 H new ATOM 0 HB2 SER B 2 -10.514 -6.440 10.058 1.00 0.00 H new ATOM 0 HB3 SER B 2 -8.969 -5.980 9.372 1.00 0.00 H new ATOM 0 HG SER B 2 -9.145 -7.575 11.328 1.00 0.00 H new ATOM 633 N THR B 3 -8.148 -3.999 12.307 1.00 0.00 N ATOM 634 CA THR B 3 -6.849 -3.567 12.852 1.00 0.00 C ATOM 635 C THR B 3 -5.754 -4.591 12.527 1.00 0.00 C ATOM 636 O THR B 3 -4.668 -4.277 12.049 1.00 0.00 O ATOM 637 CB THR B 3 -6.970 -3.388 14.384 1.00 0.00 C ATOM 638 OG1 THR B 3 -7.968 -2.401 14.667 1.00 0.00 O ATOM 639 CG2 THR B 3 -5.646 -2.961 15.053 1.00 0.00 C ATOM 0 H THR B 3 -8.751 -4.455 12.991 1.00 0.00 H new ATOM 0 HA THR B 3 -6.573 -2.618 12.393 1.00 0.00 H new ATOM 0 HB THR B 3 -7.243 -4.360 14.795 1.00 0.00 H new ATOM 0 HG1 THR B 3 -8.049 -2.286 15.637 1.00 0.00 H new ATOM 0 HG21 THR B 3 -5.799 -2.853 16.127 1.00 0.00 H new ATOM 0 HG22 THR B 3 -4.885 -3.719 14.870 1.00 0.00 H new ATOM 0 HG23 THR B 3 -5.318 -2.009 14.636 1.00 0.00 H new ATOM 647 N ILE B 4 -6.070 -5.858 12.816 1.00 0.00 N ATOM 648 CA ILE B 4 -5.131 -6.978 12.604 1.00 0.00 C ATOM 649 C ILE B 4 -4.669 -7.047 11.140 1.00 0.00 C ATOM 650 O ILE B 4 -3.481 -7.110 10.816 1.00 0.00 O ATOM 651 CB ILE B 4 -5.797 -8.318 13.035 1.00 0.00 C ATOM 652 CG1 ILE B 4 -6.028 -8.435 14.565 1.00 0.00 C ATOM 653 CG2 ILE B 4 -5.012 -9.557 12.542 1.00 0.00 C ATOM 654 CD1 ILE B 4 -7.019 -7.414 15.167 1.00 0.00 C ATOM 0 H ILE B 4 -6.972 -6.140 13.199 1.00 0.00 H new ATOM 0 HA ILE B 4 -4.248 -6.808 13.220 1.00 0.00 H new ATOM 0 HB ILE B 4 -6.773 -8.299 12.550 1.00 0.00 H new ATOM 0 HG12 ILE B 4 -6.390 -9.439 14.785 1.00 0.00 H new ATOM 0 HG13 ILE B 4 -5.068 -8.325 15.069 1.00 0.00 H new ATOM 0 HG21 ILE B 4 -5.520 -10.464 12.870 1.00 0.00 H new ATOM 0 HG22 ILE B 4 -4.959 -9.545 11.453 1.00 0.00 H new ATOM 0 HG23 ILE B 4 -4.003 -9.537 12.955 1.00 0.00 H new ATOM 0 HD11 ILE B 4 -7.108 -7.583 16.240 1.00 0.00 H new ATOM 0 HD12 ILE B 4 -6.653 -6.403 14.988 1.00 0.00 H new ATOM 0 HD13 ILE B 4 -7.996 -7.535 14.698 1.00 0.00 H new ATOM 666 N VAL B 5 -5.659 -7.035 10.244 1.00 0.00 N ATOM 667 CA VAL B 5 -5.402 -7.025 8.789 1.00 0.00 C ATOM 668 C VAL B 5 -4.494 -5.853 8.387 1.00 0.00 C ATOM 669 O VAL B 5 -3.589 -5.965 7.561 1.00 0.00 O ATOM 670 CB VAL B 5 -6.749 -6.943 8.022 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.555 -6.910 6.488 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.686 -8.112 8.400 1.00 0.00 C ATOM 0 H VAL B 5 -6.648 -7.032 10.494 1.00 0.00 H new ATOM 0 HA VAL B 5 -4.887 -7.949 8.527 1.00 0.00 H new ATOM 0 HB VAL B 5 -7.210 -6.003 8.324 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.528 -6.853 5.999 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.960 -6.039 6.215 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.041 -7.816 6.167 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.620 -8.024 7.845 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.205 -9.058 8.153 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.895 -8.080 9.469 1.00 0.00 H new ATOM 682 N LYS B 6 -4.765 -4.695 9.001 1.00 0.00 N ATOM 683 CA LYS B 6 -3.990 -3.469 8.724 1.00 0.00 C ATOM 684 C LYS B 6 -2.500 -3.649 9.040 1.00 0.00 C ATOM 685 O LYS B 6 -1.613 -3.308 8.261 1.00 0.00 O ATOM 686 CB LYS B 6 -4.574 -2.287 9.530 1.00 0.00 C ATOM 687 CG LYS B 6 -4.007 -0.923 9.087 1.00 0.00 C ATOM 688 CD LYS B 6 -4.675 0.250 9.832 1.00 0.00 C ATOM 689 CE LYS B 6 -4.246 1.628 9.288 1.00 0.00 C ATOM 690 NZ LYS B 6 -4.715 1.783 7.902 1.00 0.00 N ATOM 0 H LYS B 6 -5.509 -4.576 9.689 1.00 0.00 H new ATOM 0 HA LYS B 6 -4.070 -3.256 7.658 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -5.658 -2.278 9.419 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -4.363 -2.436 10.589 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -2.932 -0.902 9.267 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -4.153 -0.801 8.014 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.758 0.155 9.753 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -4.426 0.190 10.892 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -4.659 2.420 9.912 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -3.161 1.723 9.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -3.899 1.776 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -5.354 0.998 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -5.224 2.685 7.807 1.00 0.00 H new ATOM 704 N LEU B 7 -2.231 -4.209 10.223 1.00 0.00 N ATOM 705 CA LEU B 7 -0.849 -4.499 10.660 1.00 0.00 C ATOM 706 C LEU B 7 -0.099 -5.389 9.658 1.00 0.00 C ATOM 707 O LEU B 7 1.067 -5.183 9.324 1.00 0.00 O ATOM 708 CB LEU B 7 -0.876 -5.190 12.043 1.00 0.00 C ATOM 709 CG LEU B 7 -1.465 -4.307 13.171 1.00 0.00 C ATOM 710 CD1 LEU B 7 -1.601 -5.106 14.482 1.00 0.00 C ATOM 711 CD2 LEU B 7 -0.639 -3.022 13.395 1.00 0.00 C ATOM 0 H LEU B 7 -2.947 -4.473 10.900 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.318 -3.549 10.721 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.461 -6.107 11.969 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.139 -5.480 12.314 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.460 -3.999 12.849 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.017 -4.464 15.258 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -2.263 -5.957 14.322 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.620 -5.463 14.794 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.090 -2.435 14.195 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.381 -3.289 13.671 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.624 -2.434 12.477 1.00 0.00 H new ATOM 723 N THR B 8 -0.814 -6.412 9.176 1.00 0.00 N ATOM 724 CA THR B 8 -0.261 -7.367 8.195 1.00 0.00 C ATOM 725 C THR B 8 0.221 -6.663 6.915 1.00 0.00 C ATOM 726 O THR B 8 1.323 -6.876 6.410 1.00 0.00 O ATOM 727 CB THR B 8 -1.341 -8.420 7.838 1.00 0.00 C ATOM 728 OG1 THR B 8 -1.771 -9.079 9.033 1.00 0.00 O ATOM 729 CG2 THR B 8 -0.841 -9.486 6.838 1.00 0.00 C ATOM 0 H THR B 8 -1.778 -6.604 9.447 1.00 0.00 H new ATOM 0 HA THR B 8 0.603 -7.852 8.649 1.00 0.00 H new ATOM 0 HB THR B 8 -2.161 -7.883 7.362 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.364 -8.485 9.539 1.00 0.00 H new ATOM 0 HG21 THR B 8 -1.643 -10.193 6.629 1.00 0.00 H new ATOM 0 HG22 THR B 8 -0.535 -9.000 5.911 1.00 0.00 H new ATOM 0 HG23 THR B 8 0.009 -10.017 7.267 1.00 0.00 H new ATOM 737 N ILE B 9 -0.655 -5.807 6.381 1.00 0.00 N ATOM 738 CA ILE B 9 -0.370 -5.086 5.126 1.00 0.00 C ATOM 739 C ILE B 9 0.653 -3.942 5.294 1.00 0.00 C ATOM 740 O ILE B 9 1.344 -3.553 4.352 1.00 0.00 O ATOM 741 CB ILE B 9 -1.692 -4.581 4.481 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.495 -3.992 3.065 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.444 -3.571 5.372 1.00 0.00 C ATOM 744 CD1 ILE B 9 -0.921 -5.002 2.049 1.00 0.00 C ATOM 0 H ILE B 9 -1.564 -5.594 6.792 1.00 0.00 H new ATOM 0 HA ILE B 9 0.101 -5.801 4.451 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.308 -5.475 4.385 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.453 -3.624 2.697 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.827 -3.133 3.128 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.358 -3.254 4.870 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.696 -4.041 6.322 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.810 -2.703 5.554 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.810 -4.519 1.078 1.00 0.00 H new ATOM 0 HD12 ILE B 9 0.052 -5.352 2.394 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.599 -5.850 1.956 1.00 0.00 H new ATOM 756 N CYS B 10 0.757 -3.405 6.521 1.00 0.00 N ATOM 757 CA CYS B 10 1.631 -2.240 6.802 1.00 0.00 C ATOM 758 C CYS B 10 3.041 -2.327 6.193 1.00 0.00 C ATOM 759 O CYS B 10 3.425 -1.451 5.420 1.00 0.00 O ATOM 760 CB CYS B 10 1.791 -1.976 8.318 1.00 0.00 C ATOM 761 SG CYS B 10 0.294 -1.421 9.161 1.00 0.00 S ATOM 0 H CYS B 10 0.251 -3.753 7.335 1.00 0.00 H new ATOM 0 HA CYS B 10 1.103 -1.418 6.319 1.00 0.00 H new ATOM 0 HB2 CYS B 10 2.140 -2.892 8.796 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.569 -1.226 8.460 1.00 0.00 H new ATOM 766 N PRO B 11 3.850 -3.357 6.499 1.00 0.00 N ATOM 767 CA PRO B 11 5.242 -3.468 6.017 1.00 0.00 C ATOM 768 C PRO B 11 5.359 -3.423 4.489 1.00 0.00 C ATOM 769 O PRO B 11 6.246 -2.799 3.909 1.00 0.00 O ATOM 770 CB PRO B 11 5.731 -4.814 6.580 1.00 0.00 C ATOM 771 CG PRO B 11 4.449 -5.603 6.796 1.00 0.00 C ATOM 772 CD PRO B 11 3.480 -4.531 7.305 1.00 0.00 C ATOM 0 HA PRO B 11 5.844 -2.623 6.351 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.400 -5.320 5.884 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.281 -4.682 7.511 1.00 0.00 H new ATOM 0 HG2 PRO B 11 4.096 -6.064 5.873 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.584 -6.405 7.521 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.440 -4.818 7.150 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.604 -4.346 8.372 1.00 0.00 H new ATOM 780 N THR B 12 4.425 -4.118 3.835 1.00 0.00 N ATOM 781 CA THR B 12 4.338 -4.124 2.363 1.00 0.00 C ATOM 782 C THR B 12 4.176 -2.699 1.808 1.00 0.00 C ATOM 783 O THR B 12 4.845 -2.259 0.875 1.00 0.00 O ATOM 784 CB THR B 12 3.136 -4.997 1.927 1.00 0.00 C ATOM 785 OG1 THR B 12 3.266 -6.305 2.491 1.00 0.00 O ATOM 786 CG2 THR B 12 3.028 -5.130 0.395 1.00 0.00 C ATOM 0 H THR B 12 3.715 -4.686 4.297 1.00 0.00 H new ATOM 0 HA THR B 12 5.264 -4.537 1.963 1.00 0.00 H new ATOM 0 HB THR B 12 2.234 -4.503 2.287 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.598 -6.901 2.093 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.169 -5.752 0.143 1.00 0.00 H new ATOM 0 HG22 THR B 12 2.903 -4.142 -0.048 1.00 0.00 H new ATOM 0 HG23 THR B 12 3.936 -5.590 0.005 1.00 0.00 H new ATOM 794 N LEU B 13 3.238 -1.970 2.419 1.00 0.00 N ATOM 795 CA LEU B 13 2.943 -0.576 2.038 1.00 0.00 C ATOM 796 C LEU B 13 4.114 0.386 2.277 1.00 0.00 C ATOM 797 O LEU B 13 4.290 1.388 1.585 1.00 0.00 O ATOM 798 CB LEU B 13 1.699 -0.084 2.806 1.00 0.00 C ATOM 799 CG LEU B 13 0.423 -0.878 2.452 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.752 -0.454 3.356 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.053 -0.733 0.960 1.00 0.00 C ATOM 0 H LEU B 13 2.664 -2.321 3.185 1.00 0.00 H new ATOM 0 HA LEU B 13 2.758 -0.577 0.964 1.00 0.00 H new ATOM 0 HB2 LEU B 13 1.885 -0.163 3.877 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.537 0.971 2.587 1.00 0.00 H new ATOM 0 HG LEU B 13 0.632 -1.932 2.632 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.641 -1.026 3.089 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.497 -0.645 4.398 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.950 0.609 3.220 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.850 -1.307 0.752 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.123 0.318 0.729 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.871 -1.108 0.344 1.00 0.00 H new ATOM 813 N LYS B 14 4.901 0.099 3.316 1.00 0.00 N ATOM 814 CA LYS B 14 6.119 0.883 3.606 1.00 0.00 C ATOM 815 C LYS B 14 7.204 0.671 2.540 1.00 0.00 C ATOM 816 O LYS B 14 7.921 1.580 2.124 1.00 0.00 O ATOM 817 CB LYS B 14 6.663 0.540 5.011 1.00 0.00 C ATOM 818 CG LYS B 14 5.707 0.955 6.154 1.00 0.00 C ATOM 819 CD LYS B 14 5.426 2.477 6.223 1.00 0.00 C ATOM 820 CE LYS B 14 6.670 3.337 6.530 1.00 0.00 C ATOM 821 NZ LYS B 14 7.197 2.995 7.860 1.00 0.00 N ATOM 0 H LYS B 14 4.725 -0.663 3.970 1.00 0.00 H new ATOM 0 HA LYS B 14 5.842 1.937 3.584 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.846 -0.533 5.071 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.624 1.035 5.152 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.761 0.427 6.032 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.132 0.632 7.104 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.001 2.800 5.273 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.673 2.662 6.989 1.00 0.00 H new ATOM 0 HE2 LYS B 14 7.435 3.170 5.772 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.410 4.395 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.924 3.686 8.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.424 3.013 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 7.616 2.044 7.833 1.00 0.00 H new ATOM 835 N SER B 15 7.335 -0.588 2.108 1.00 0.00 N ATOM 836 CA SER B 15 8.249 -0.944 1.004 1.00 0.00 C ATOM 837 C SER B 15 7.876 -0.208 -0.292 1.00 0.00 C ATOM 838 O SER B 15 8.705 0.262 -1.067 1.00 0.00 O ATOM 839 CB SER B 15 8.221 -2.471 0.772 1.00 0.00 C ATOM 840 OG SER B 15 8.640 -3.148 1.960 1.00 0.00 O ATOM 0 H SER B 15 6.824 -1.379 2.501 1.00 0.00 H new ATOM 0 HA SER B 15 9.256 -0.637 1.286 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.215 -2.788 0.497 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.876 -2.734 -0.058 1.00 0.00 H new ATOM 0 HG SER B 15 7.935 -3.085 2.638 1.00 0.00 H new ATOM 846 N MET B 16 6.561 -0.137 -0.523 1.00 0.00 N ATOM 847 CA MET B 16 5.998 0.653 -1.633 1.00 0.00 C ATOM 848 C MET B 16 6.332 2.144 -1.472 1.00 0.00 C ATOM 849 O MET B 16 6.760 2.845 -2.390 1.00 0.00 O ATOM 850 CB MET B 16 4.464 0.444 -1.649 1.00 0.00 C ATOM 851 CG MET B 16 3.755 1.167 -2.809 1.00 0.00 C ATOM 852 SD MET B 16 1.964 0.895 -2.827 1.00 0.00 S ATOM 853 CE MET B 16 1.482 1.719 -1.287 1.00 0.00 C ATOM 0 H MET B 16 5.862 -0.617 0.043 1.00 0.00 H new ATOM 0 HA MET B 16 6.433 0.320 -2.575 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.252 -0.623 -1.713 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.048 0.795 -0.705 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.953 2.236 -2.738 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.178 0.826 -3.754 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.398 1.685 -1.180 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.946 1.211 -0.442 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.812 2.758 -1.311 1.00 0.00 H new ATOM 863 N ALA B 17 6.146 2.611 -0.234 1.00 0.00 N ATOM 864 CA ALA B 17 6.355 4.023 0.148 1.00 0.00 C ATOM 865 C ALA B 17 7.773 4.534 -0.150 1.00 0.00 C ATOM 866 O ALA B 17 8.010 5.725 -0.356 1.00 0.00 O ATOM 867 CB ALA B 17 6.053 4.191 1.651 1.00 0.00 C ATOM 0 H ALA B 17 5.844 2.021 0.541 1.00 0.00 H new ATOM 0 HA ALA B 17 5.674 4.620 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.206 5.231 1.939 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.019 3.908 1.848 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.721 3.553 2.230 1.00 0.00 H new ATOM 873 N LYS B 18 8.731 3.598 -0.161 1.00 0.00 N ATOM 874 CA LYS B 18 10.149 3.906 -0.448 1.00 0.00 C ATOM 875 C LYS B 18 10.333 4.836 -1.659 1.00 0.00 C ATOM 876 O LYS B 18 11.174 5.736 -1.677 1.00 0.00 O ATOM 877 CB LYS B 18 10.932 2.598 -0.706 1.00 0.00 C ATOM 878 CG LYS B 18 10.964 1.597 0.473 1.00 0.00 C ATOM 879 CD LYS B 18 11.947 1.925 1.620 1.00 0.00 C ATOM 880 CE LYS B 18 11.656 3.233 2.383 1.00 0.00 C ATOM 881 NZ LYS B 18 12.535 3.317 3.558 1.00 0.00 N ATOM 0 H LYS B 18 8.553 2.611 0.027 1.00 0.00 H new ATOM 0 HA LYS B 18 10.533 4.425 0.430 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.496 2.099 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.958 2.855 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.960 1.528 0.891 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.213 0.612 0.079 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.938 1.099 2.331 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.955 1.980 1.208 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.818 4.091 1.731 1.00 0.00 H new ATOM 0 HE3 LYS B 18 10.612 3.262 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.341 4.199 4.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.359 2.504 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.528 3.308 3.250 1.00 0.00 H new ATOM 895 N LYS B 19 9.519 4.599 -2.694 1.00 0.00 N ATOM 896 CA LYS B 19 9.566 5.434 -3.908 1.00 0.00 C ATOM 897 C LYS B 19 8.173 5.571 -4.547 1.00 0.00 C ATOM 898 O LYS B 19 7.868 5.110 -5.648 1.00 0.00 O ATOM 899 CB LYS B 19 10.588 4.826 -4.899 1.00 0.00 C ATOM 900 CG LYS B 19 10.879 5.743 -6.108 1.00 0.00 C ATOM 901 CD LYS B 19 11.922 5.138 -7.066 1.00 0.00 C ATOM 902 CE LYS B 19 12.218 6.063 -8.264 1.00 0.00 C ATOM 903 NZ LYS B 19 13.225 5.434 -9.131 1.00 0.00 N ATOM 0 H LYS B 19 8.828 3.849 -2.720 1.00 0.00 H new ATOM 0 HA LYS B 19 9.886 6.441 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.520 4.623 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.211 3.869 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.953 5.927 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.235 6.709 -5.750 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.846 4.946 -6.520 1.00 0.00 H new ATOM 0 HD3 LYS B 19 11.562 4.176 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.304 6.251 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.579 7.029 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.425 6.057 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.099 5.277 -8.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.864 4.522 -9.478 1.00 0.00 H new ATOM 917 N CYS B 20 7.284 6.210 -3.777 1.00 0.00 N ATOM 918 CA CYS B 20 5.968 6.621 -4.301 1.00 0.00 C ATOM 919 C CYS B 20 5.978 8.051 -4.855 1.00 0.00 C ATOM 920 O CYS B 20 6.904 8.845 -4.698 1.00 0.00 O ATOM 921 CB CYS B 20 4.884 6.497 -3.210 1.00 0.00 C ATOM 922 SG CYS B 20 4.519 4.779 -2.780 1.00 0.00 S ATOM 0 H CYS B 20 7.445 6.453 -2.800 1.00 0.00 H new ATOM 0 HA CYS B 20 5.737 5.947 -5.126 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.211 7.029 -2.317 1.00 0.00 H new ATOM 0 HB3 CYS B 20 3.971 6.983 -3.554 1.00 0.00 H new ATOM 927 N GLU B 21 4.867 8.370 -5.525 1.00 0.00 N ATOM 928 CA GLU B 21 4.680 9.684 -6.165 1.00 0.00 C ATOM 929 C GLU B 21 4.195 10.734 -5.155 1.00 0.00 C ATOM 930 O GLU B 21 3.553 10.443 -4.145 1.00 0.00 O ATOM 931 CB GLU B 21 3.616 9.521 -7.277 1.00 0.00 C ATOM 932 CG GLU B 21 3.972 8.393 -8.283 1.00 0.00 C ATOM 933 CD GLU B 21 2.810 8.046 -9.234 1.00 0.00 C ATOM 934 OE1 GLU B 21 1.862 8.823 -9.362 1.00 0.00 O ATOM 935 OE2 GLU B 21 2.876 6.986 -9.855 1.00 0.00 O ATOM 0 H GLU B 21 4.077 7.735 -5.641 1.00 0.00 H new ATOM 0 HA GLU B 21 5.633 10.024 -6.571 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.650 9.305 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.511 10.463 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.837 8.698 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.262 7.499 -7.731 1.00 0.00 H new ATOM 942 N GLY B 22 4.503 11.993 -5.479 1.00 0.00 N ATOM 943 CA GLY B 22 4.112 13.159 -4.658 1.00 0.00 C ATOM 944 C GLY B 22 4.685 13.112 -3.233 1.00 0.00 C ATOM 945 O GLY B 22 5.797 13.551 -2.939 1.00 0.00 O ATOM 0 H GLY B 22 5.030 12.240 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.450 14.071 -5.149 1.00 0.00 H new ATOM 0 HA3 GLY B 22 3.025 13.210 -4.604 1.00 0.00 H new ATOM 949 N SER B 23 3.876 12.542 -2.335 1.00 0.00 N ATOM 950 CA SER B 23 4.264 12.339 -0.926 1.00 0.00 C ATOM 951 C SER B 23 3.310 11.341 -0.241 1.00 0.00 C ATOM 952 O SER B 23 2.884 11.462 0.909 1.00 0.00 O ATOM 953 CB SER B 23 4.262 13.697 -0.177 1.00 0.00 C ATOM 954 OG SER B 23 2.961 14.293 -0.240 1.00 0.00 O ATOM 0 H SER B 23 2.938 12.208 -2.557 1.00 0.00 H new ATOM 0 HA SER B 23 5.271 11.922 -0.895 1.00 0.00 H new ATOM 0 HB2 SER B 23 4.552 13.548 0.863 1.00 0.00 H new ATOM 0 HB3 SER B 23 4.999 14.367 -0.620 1.00 0.00 H new ATOM 0 HG SER B 23 2.970 15.149 0.237 1.00 0.00 H new ATOM 960 N ILE B 24 3.004 10.294 -1.010 1.00 0.00 N ATOM 961 CA ILE B 24 2.113 9.205 -0.570 1.00 0.00 C ATOM 962 C ILE B 24 2.696 8.392 0.593 1.00 0.00 C ATOM 963 O ILE B 24 1.992 7.911 1.478 1.00 0.00 O ATOM 964 CB ILE B 24 1.800 8.307 -1.796 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.845 9.016 -2.788 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.298 6.891 -1.437 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.545 9.352 -2.206 1.00 0.00 C ATOM 0 H ILE B 24 3.364 10.172 -1.956 1.00 0.00 H new ATOM 0 HA ILE B 24 1.192 9.640 -0.181 1.00 0.00 H new ATOM 0 HB ILE B 24 2.759 8.152 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.315 9.938 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.715 8.381 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.103 6.331 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE B 24 2.057 6.374 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.379 6.967 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.148 9.846 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.039 8.433 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.430 10.014 -1.348 1.00 0.00 H new ATOM 979 N ALA B 25 4.024 8.234 0.562 1.00 0.00 N ATOM 980 CA ALA B 25 4.767 7.499 1.605 1.00 0.00 C ATOM 981 C ALA B 25 4.321 7.853 3.033 1.00 0.00 C ATOM 982 O ALA B 25 4.135 7.008 3.909 1.00 0.00 O ATOM 983 CB ALA B 25 6.266 7.830 1.449 1.00 0.00 C ATOM 0 H ALA B 25 4.616 8.608 -0.180 1.00 0.00 H new ATOM 0 HA ALA B 25 4.566 6.436 1.468 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.837 7.298 2.210 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.605 7.523 0.460 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.416 8.903 1.567 1.00 0.00 H new ATOM 989 N THR B 26 4.152 9.163 3.245 1.00 0.00 N ATOM 990 CA THR B 26 3.709 9.711 4.542 1.00 0.00 C ATOM 991 C THR B 26 2.393 9.081 5.026 1.00 0.00 C ATOM 992 O THR B 26 2.237 8.679 6.179 1.00 0.00 O ATOM 993 CB THR B 26 3.535 11.244 4.400 1.00 0.00 C ATOM 994 OG1 THR B 26 4.776 11.822 3.978 1.00 0.00 O ATOM 995 CG2 THR B 26 3.093 11.927 5.712 1.00 0.00 C ATOM 0 H THR B 26 4.316 9.873 2.531 1.00 0.00 H new ATOM 0 HA THR B 26 4.469 9.474 5.287 1.00 0.00 H new ATOM 0 HB THR B 26 2.748 11.407 3.664 1.00 0.00 H new ATOM 0 HG1 THR B 26 4.670 12.792 3.885 1.00 0.00 H new ATOM 0 HG21 THR B 26 2.989 12.999 5.547 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.136 11.515 6.033 1.00 0.00 H new ATOM 0 HG23 THR B 26 3.841 11.750 6.484 1.00 0.00 H new ATOM 1003 N MET B 27 1.428 9.001 4.103 1.00 0.00 N ATOM 1004 CA MET B 27 0.091 8.445 4.403 1.00 0.00 C ATOM 1005 C MET B 27 0.157 7.058 5.055 1.00 0.00 C ATOM 1006 O MET B 27 -0.460 6.785 6.082 1.00 0.00 O ATOM 1007 CB MET B 27 -0.769 8.348 3.122 1.00 0.00 C ATOM 1008 CG MET B 27 -1.248 9.692 2.524 1.00 0.00 C ATOM 1009 SD MET B 27 0.073 10.862 2.117 1.00 0.00 S ATOM 1010 CE MET B 27 0.131 11.838 3.643 1.00 0.00 C ATOM 0 H MET B 27 1.542 9.313 3.139 1.00 0.00 H new ATOM 0 HA MET B 27 -0.366 9.136 5.112 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.195 7.819 2.362 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.645 7.738 3.342 1.00 0.00 H new ATOM 0 HG2 MET B 27 -1.822 9.486 1.620 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.927 10.166 3.232 1.00 0.00 H new ATOM 0 HE1 MET B 27 0.822 12.671 3.516 1.00 0.00 H new ATOM 0 HE2 MET B 27 -0.864 12.222 3.867 1.00 0.00 H new ATOM 0 HE3 MET B 27 0.470 11.208 4.465 1.00 0.00 H new ATOM 1020 N ILE B 28 0.936 6.165 4.432 1.00 0.00 N ATOM 1021 CA ILE B 28 1.086 4.781 4.927 1.00 0.00 C ATOM 1022 C ILE B 28 1.636 4.756 6.363 1.00 0.00 C ATOM 1023 O ILE B 28 1.134 4.078 7.260 1.00 0.00 O ATOM 1024 CB ILE B 28 2.014 3.948 3.995 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.441 3.716 2.573 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.376 2.582 4.622 1.00 0.00 C ATOM 1027 CD1 ILE B 28 1.335 4.977 1.696 1.00 0.00 C ATOM 0 H ILE B 28 1.472 6.369 3.588 1.00 0.00 H new ATOM 0 HA ILE B 28 0.093 4.332 4.927 1.00 0.00 H new ATOM 0 HB ILE B 28 2.911 4.559 3.888 1.00 0.00 H new ATOM 0 HG12 ILE B 28 2.069 2.988 2.060 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.449 3.273 2.666 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.025 2.030 3.942 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.894 2.742 5.568 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.465 2.010 4.799 1.00 0.00 H new ATOM 0 HD11 ILE B 28 0.924 4.710 0.723 1.00 0.00 H new ATOM 0 HD12 ILE B 28 0.681 5.703 2.180 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.325 5.413 1.564 1.00 0.00 H new ATOM 1039 N LYS B 29 2.715 5.523 6.558 1.00 0.00 N ATOM 1040 CA LYS B 29 3.408 5.599 7.859 1.00 0.00 C ATOM 1041 C LYS B 29 2.436 5.964 8.992 1.00 0.00 C ATOM 1042 O LYS B 29 2.332 5.295 10.018 1.00 0.00 O ATOM 1043 CB LYS B 29 4.545 6.645 7.745 1.00 0.00 C ATOM 1044 CG LYS B 29 5.533 6.699 8.938 1.00 0.00 C ATOM 1045 CD LYS B 29 4.956 7.306 10.235 1.00 0.00 C ATOM 1046 CE LYS B 29 6.021 7.455 11.337 1.00 0.00 C ATOM 1047 NZ LYS B 29 5.409 8.055 12.532 1.00 0.00 N ATOM 0 H LYS B 29 3.132 6.104 5.831 1.00 0.00 H new ATOM 0 HA LYS B 29 3.825 4.623 8.106 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.112 6.440 6.837 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.096 7.631 7.625 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.879 5.687 9.150 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.407 7.279 8.641 1.00 0.00 H new ATOM 0 HD2 LYS B 29 4.525 8.283 10.015 1.00 0.00 H new ATOM 0 HD3 LYS B 29 4.146 6.675 10.599 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.445 6.481 11.582 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.841 8.079 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 5.998 8.845 12.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 4.459 8.407 12.296 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 5.336 7.338 13.282 1.00 0.00 H new ATOM 1061 N LYS B 30 1.695 7.053 8.770 1.00 0.00 N ATOM 1062 CA LYS B 30 0.723 7.555 9.758 1.00 0.00 C ATOM 1063 C LYS B 30 -0.435 6.588 10.035 1.00 0.00 C ATOM 1064 O LYS B 30 -0.850 6.362 11.171 1.00 0.00 O ATOM 1065 CB LYS B 30 0.189 8.945 9.341 1.00 0.00 C ATOM 1066 CG LYS B 30 1.137 10.091 9.760 1.00 0.00 C ATOM 1067 CD LYS B 30 2.526 10.051 9.086 1.00 0.00 C ATOM 1068 CE LYS B 30 3.538 11.004 9.753 1.00 0.00 C ATOM 1069 NZ LYS B 30 3.783 10.573 11.141 1.00 0.00 N ATOM 0 H LYS B 30 1.746 7.608 7.916 1.00 0.00 H new ATOM 0 HA LYS B 30 1.268 7.644 10.697 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.051 8.969 8.260 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.791 9.105 9.791 1.00 0.00 H new ATOM 0 HG2 LYS B 30 0.661 11.043 9.526 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.271 10.058 10.841 1.00 0.00 H new ATOM 0 HD2 LYS B 30 2.914 9.033 9.122 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.423 10.316 8.034 1.00 0.00 H new ATOM 0 HE2 LYS B 30 4.473 11.008 9.193 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.155 12.024 9.741 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.290 11.213 11.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.428 9.604 11.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 4.804 10.597 11.337 1.00 0.00 H new ATOM 1083 N LYS B 31 -0.964 6.016 8.949 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.072 5.045 9.028 1.00 0.00 C ATOM 1085 C LYS B 31 -1.795 3.926 10.038 1.00 0.00 C ATOM 1086 O LYS B 31 -2.545 3.672 10.982 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.300 4.427 7.627 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.079 5.342 6.659 1.00 0.00 C ATOM 1089 CD LYS B 31 -4.612 5.155 6.723 1.00 0.00 C ATOM 1090 CE LYS B 31 -5.221 5.391 8.121 1.00 0.00 C ATOM 1091 NZ LYS B 31 -6.677 5.207 8.056 1.00 0.00 N ATOM 0 H LYS B 31 -0.645 6.206 7.999 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.960 5.578 9.367 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.333 4.187 7.185 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -2.842 3.488 7.739 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -2.839 6.381 6.884 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -2.741 5.150 5.641 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.080 5.839 6.015 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -4.857 4.144 6.398 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -4.787 4.697 8.841 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -4.986 6.397 8.467 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -7.089 5.366 8.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.083 5.886 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.891 4.239 7.743 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.663 3.254 9.822 1.00 0.00 N ATOM 1106 CA CYS B 32 -0.255 2.132 10.683 1.00 0.00 C ATOM 1107 C CYS B 32 0.189 2.604 12.075 1.00 0.00 C ATOM 1108 O CYS B 32 -0.162 2.050 13.116 1.00 0.00 O ATOM 1109 CB CYS B 32 0.908 1.369 10.016 1.00 0.00 C ATOM 1110 SG CYS B 32 1.043 -0.311 10.674 1.00 0.00 S ATOM 0 H CYS B 32 -0.013 3.462 9.064 1.00 0.00 H new ATOM 0 HA CYS B 32 -1.121 1.482 10.808 1.00 0.00 H new ATOM 0 HB2 CYS B 32 0.751 1.330 8.938 1.00 0.00 H new ATOM 0 HB3 CYS B 32 1.842 1.905 10.183 1.00 0.00 H new ATOM 1115 N ASP B 33 0.985 3.679 12.072 1.00 0.00 N ATOM 1116 CA ASP B 33 1.696 4.140 13.281 1.00 0.00 C ATOM 1117 C ASP B 33 2.310 5.542 13.118 1.00 0.00 C ATOM 1118 O ASP B 33 3.509 5.757 12.928 1.00 0.00 O ATOM 1119 CB ASP B 33 2.773 3.095 13.695 1.00 0.00 C ATOM 1120 CG ASP B 33 3.524 2.519 12.478 1.00 0.00 C ATOM 1121 OD1 ASP B 33 4.186 3.268 11.760 1.00 0.00 O ATOM 1122 OD2 ASP B 33 3.434 1.312 12.260 1.00 0.00 O ATOM 0 H ASP B 33 1.157 4.251 11.245 1.00 0.00 H new ATOM 0 HA ASP B 33 0.958 4.228 14.079 1.00 0.00 H new ATOM 0 HB2 ASP B 33 3.488 3.561 14.373 1.00 0.00 H new ATOM 0 HB3 ASP B 33 2.296 2.283 14.244 1.00 0.00 H new ATOM 1127 N LYS B 34 1.423 6.538 13.194 1.00 0.00 N ATOM 1128 CA LYS B 34 1.826 7.962 13.125 1.00 0.00 C ATOM 1129 C LYS B 34 2.767 8.421 14.259 1.00 0.00 C ATOM 1130 O LYS B 34 2.937 7.702 15.244 1.00 0.00 O ATOM 1131 CB LYS B 34 0.544 8.831 13.146 1.00 0.00 C ATOM 1132 CG LYS B 34 -0.309 8.624 14.418 1.00 0.00 C ATOM 1133 CD LYS B 34 -1.584 9.491 14.453 1.00 0.00 C ATOM 1134 CE LYS B 34 -1.282 11.004 14.505 1.00 0.00 C ATOM 1135 NZ LYS B 34 -2.549 11.744 14.581 1.00 0.00 N ATOM 1136 OXT LYS B 34 3.320 9.515 14.145 1.00 0.00 O ATOM 0 H LYS B 34 0.419 6.394 13.303 1.00 0.00 H new ATOM 0 HA LYS B 34 2.395 8.081 12.203 1.00 0.00 H new ATOM 0 HB2 LYS B 34 0.824 9.882 13.070 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.060 8.598 12.269 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -0.592 7.574 14.489 1.00 0.00 H new ATOM 0 HG3 LYS B 34 0.299 8.851 15.294 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -2.187 9.276 13.571 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -2.181 9.215 15.322 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -0.660 11.234 15.370 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -0.722 11.306 13.620 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -2.353 12.765 14.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -3.126 11.531 13.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -3.066 11.461 15.438 1.00 0.00 H new TER 1150 LYS B 34