USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 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 24 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 25 THR OG1 : rot 65:sc= 0.0683 USER MOD Set 2.1: A 10 CYS SG : rot 156:sc= -10.3! USER MOD Set 2.2: A 13 CYS SG : rot 111:sc= -2.29 USER MOD Set 2.3: A 29 CYS SG : rot -155:sc= -0.185 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0949 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot -87:sc= 0.443 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.201 K(o=-0.2,f=-0.87) USER MOD Single : A 17 GLN : amide:sc= -2.43! C(o=-2.4!,f=-3!) USER MOD Single : A 22 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-0.97) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00876 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0017 X(o=-0.0017,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0766 K(o=-0.077,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.283 -6.968 -15.330 1.00 0.00 N ATOM 2 CA MET A 1 10.061 -6.373 -14.257 1.00 0.00 C ATOM 3 C MET A 1 9.348 -6.527 -12.912 1.00 0.00 C ATOM 4 O MET A 1 8.229 -7.033 -12.853 1.00 0.00 O ATOM 5 CB MET A 1 10.283 -4.887 -14.551 1.00 0.00 C ATOM 6 CG MET A 1 11.531 -4.678 -15.409 1.00 0.00 C ATOM 7 SD MET A 1 12.414 -3.227 -14.859 1.00 0.00 S ATOM 8 CE MET A 1 13.437 -2.925 -16.291 1.00 0.00 C ATOM 0 H1 MET A 1 9.762 -7.826 -15.672 1.00 0.00 H new ATOM 0 H2 MET A 1 8.337 -7.217 -14.976 1.00 0.00 H new ATOM 0 H3 MET A 1 9.192 -6.288 -16.111 1.00 0.00 H new ATOM 0 HA MET A 1 11.020 -6.888 -14.199 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.412 -4.480 -15.065 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.385 -4.339 -13.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.177 -5.553 -15.345 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.248 -4.567 -16.456 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.058 -2.046 -16.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.075 -3.790 -16.471 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.803 -2.754 -17.161 1.00 0.00 H new ATOM 16 N HIS A 2 10.027 -6.081 -11.865 1.00 0.00 N ATOM 17 CA HIS A 2 9.473 -6.163 -10.524 1.00 0.00 C ATOM 18 C HIS A 2 8.376 -5.110 -10.357 1.00 0.00 C ATOM 19 O HIS A 2 8.513 -3.984 -10.833 1.00 0.00 O ATOM 20 CB HIS A 2 10.577 -6.041 -9.471 1.00 0.00 C ATOM 21 CG HIS A 2 11.068 -7.367 -8.942 1.00 0.00 C ATOM 22 ND1 HIS A 2 10.359 -8.115 -8.018 1.00 0.00 N ATOM 23 CD2 HIS A 2 12.206 -8.070 -9.214 1.00 0.00 C ATOM 24 CE1 HIS A 2 11.047 -9.216 -7.754 1.00 0.00 C ATOM 25 NE2 HIS A 2 12.191 -9.186 -8.497 1.00 0.00 N ATOM 0 H HIS A 2 10.955 -5.662 -11.918 1.00 0.00 H new ATOM 0 HA HIS A 2 9.016 -7.141 -10.375 1.00 0.00 H new ATOM 0 HB2 HIS A 2 11.419 -5.499 -9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 2 10.206 -5.443 -8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 2 12.986 -7.769 -9.897 1.00 0.00 H new ATOM 0 HE1 HIS A 2 10.754 -9.999 -7.071 1.00 0.00 H new ATOM 0 HE2 HIS A 2 12.916 -9.904 -8.501 1.00 0.00 H new ATOM 32 N SER A 3 7.311 -5.513 -9.679 1.00 0.00 N ATOM 33 CA SER A 3 6.191 -4.618 -9.442 1.00 0.00 C ATOM 34 C SER A 3 6.701 -3.202 -9.170 1.00 0.00 C ATOM 35 O SER A 3 7.835 -3.020 -8.731 1.00 0.00 O ATOM 36 CB SER A 3 5.333 -5.107 -8.273 1.00 0.00 C ATOM 37 OG SER A 3 3.949 -4.837 -8.478 1.00 0.00 O ATOM 0 H SER A 3 7.200 -6.448 -9.286 1.00 0.00 H new ATOM 0 HA SER A 3 5.567 -4.607 -10.336 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.478 -6.179 -8.141 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.664 -4.625 -7.353 1.00 0.00 H new ATOM 0 HG SER A 3 3.741 -3.935 -8.158 1.00 0.00 H new ATOM 42 N ARG A 4 5.838 -2.235 -9.443 1.00 0.00 N ATOM 43 CA ARG A 4 6.186 -0.840 -9.234 1.00 0.00 C ATOM 44 C ARG A 4 5.951 -0.446 -7.775 1.00 0.00 C ATOM 45 O ARG A 4 5.355 -1.207 -7.011 1.00 0.00 O ATOM 46 CB ARG A 4 5.363 0.076 -10.141 1.00 0.00 C ATOM 47 CG ARG A 4 6.267 1.038 -10.915 1.00 0.00 C ATOM 48 CD ARG A 4 5.544 1.604 -12.140 1.00 0.00 C ATOM 49 NE ARG A 4 6.234 2.823 -12.617 1.00 0.00 N ATOM 50 CZ ARG A 4 7.387 2.813 -13.320 1.00 0.00 C ATOM 51 NH1 ARG A 4 7.988 1.647 -13.636 1.00 0.00 N ATOM 52 NH2 ARG A 4 7.917 3.962 -13.697 1.00 0.00 N ATOM 0 H ARG A 4 4.898 -2.390 -9.807 1.00 0.00 H new ATOM 0 HA ARG A 4 7.241 -0.723 -9.480 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.782 -0.525 -10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.651 0.643 -9.541 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.579 1.854 -10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.172 0.518 -11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.517 0.857 -12.934 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.510 1.837 -11.887 1.00 0.00 H new ATOM 0 HE ARG A 4 5.813 3.727 -12.402 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.572 0.763 -13.344 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.859 1.650 -14.167 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.456 4.840 -13.457 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.787 3.972 -14.229 1.00 0.00 H new ATOM 62 N PHE A 5 6.428 0.740 -7.429 1.00 0.00 N ATOM 63 CA PHE A 5 6.276 1.243 -6.075 1.00 0.00 C ATOM 64 C PHE A 5 5.141 2.265 -5.993 1.00 0.00 C ATOM 65 O PHE A 5 4.957 3.067 -6.907 1.00 0.00 O ATOM 66 CB PHE A 5 7.592 1.930 -5.702 1.00 0.00 C ATOM 67 CG PHE A 5 8.140 2.856 -6.790 1.00 0.00 C ATOM 68 CD1 PHE A 5 7.528 4.043 -7.045 1.00 0.00 C ATOM 69 CD2 PHE A 5 9.241 2.492 -7.502 1.00 0.00 C ATOM 70 CE1 PHE A 5 8.036 4.903 -8.054 1.00 0.00 C ATOM 71 CE2 PHE A 5 9.749 3.351 -8.511 1.00 0.00 C ATOM 72 CZ PHE A 5 9.136 4.539 -8.766 1.00 0.00 C ATOM 0 H PHE A 5 6.921 1.368 -8.064 1.00 0.00 H new ATOM 0 HA PHE A 5 6.039 0.422 -5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.443 2.507 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.338 1.167 -5.479 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.655 4.332 -6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.728 1.550 -7.299 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.549 5.846 -8.256 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.622 3.062 -9.077 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.523 5.193 -9.534 1.00 0.00 H new ATOM 81 N VAL A 6 4.409 2.202 -4.891 1.00 0.00 N ATOM 82 CA VAL A 6 3.296 3.112 -4.678 1.00 0.00 C ATOM 83 C VAL A 6 3.203 3.457 -3.191 1.00 0.00 C ATOM 84 O VAL A 6 3.210 2.568 -2.341 1.00 0.00 O ATOM 85 CB VAL A 6 2.008 2.501 -5.232 1.00 0.00 C ATOM 86 CG1 VAL A 6 2.303 1.581 -6.418 1.00 0.00 C ATOM 87 CG2 VAL A 6 1.239 1.757 -4.139 1.00 0.00 C ATOM 0 H VAL A 6 4.565 1.535 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 6 3.456 4.045 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 6 1.378 3.316 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.370 1.160 -6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.787 2.152 -7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.962 0.774 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.328 1.332 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.860 0.957 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.980 2.451 -3.339 1.00 0.00 H new ATOM 97 N LYS A 7 3.117 4.752 -2.921 1.00 0.00 N ATOM 98 CA LYS A 7 3.022 5.226 -1.550 1.00 0.00 C ATOM 99 C LYS A 7 1.549 5.398 -1.176 1.00 0.00 C ATOM 100 O LYS A 7 0.824 6.152 -1.823 1.00 0.00 O ATOM 101 CB LYS A 7 3.857 6.495 -1.364 1.00 0.00 C ATOM 102 CG LYS A 7 3.294 7.360 -0.233 1.00 0.00 C ATOM 103 CD LYS A 7 4.246 8.508 0.104 1.00 0.00 C ATOM 104 CE LYS A 7 5.316 8.059 1.102 1.00 0.00 C ATOM 105 NZ LYS A 7 5.961 9.232 1.734 1.00 0.00 N ATOM 0 H LYS A 7 3.111 5.487 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 7 3.442 4.492 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.890 6.226 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.869 7.066 -2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.324 7.761 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.131 6.746 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.723 8.869 -0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.682 9.342 0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.865 7.428 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.066 7.455 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.684 8.909 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.408 9.819 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.244 9.793 2.237 1.00 0.00 H new ATOM 114 N VAL A 8 1.150 4.686 -0.132 1.00 0.00 N ATOM 115 CA VAL A 8 -0.223 4.751 0.337 1.00 0.00 C ATOM 116 C VAL A 8 -0.245 5.286 1.771 1.00 0.00 C ATOM 117 O VAL A 8 0.795 5.363 2.423 1.00 0.00 O ATOM 118 CB VAL A 8 -0.887 3.379 0.202 1.00 0.00 C ATOM 119 CG1 VAL A 8 -1.228 3.077 -1.259 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.004 2.281 0.797 1.00 0.00 C ATOM 0 H VAL A 8 1.754 4.061 0.402 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.803 5.441 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.819 3.401 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.699 2.096 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.913 3.836 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.315 3.084 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.500 1.316 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.952 2.259 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.166 2.484 1.854 1.00 0.00 H new ATOM 130 N LYS A 9 -1.440 5.642 2.217 1.00 0.00 N ATOM 131 CA LYS A 9 -1.609 6.167 3.561 1.00 0.00 C ATOM 132 C LYS A 9 -2.820 5.500 4.216 1.00 0.00 C ATOM 133 O LYS A 9 -3.873 5.367 3.593 1.00 0.00 O ATOM 134 CB LYS A 9 -1.690 7.695 3.533 1.00 0.00 C ATOM 135 CG LYS A 9 -2.387 8.231 4.785 1.00 0.00 C ATOM 136 CD LYS A 9 -2.099 9.721 4.978 1.00 0.00 C ATOM 137 CE LYS A 9 -3.210 10.394 5.787 1.00 0.00 C ATOM 138 NZ LYS A 9 -3.079 11.868 5.721 1.00 0.00 N ATOM 0 H LYS A 9 -2.300 5.577 1.672 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.741 5.927 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.686 8.115 3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.232 8.018 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.462 8.073 4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.049 7.675 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.145 9.847 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.007 10.206 4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.183 10.092 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.163 10.065 6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.840 12.309 6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.158 12.152 6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.147 12.179 4.731 1.00 0.00 H new ATOM 147 N CYS A 10 -2.631 5.097 5.464 1.00 0.00 N ATOM 148 CA CYS A 10 -3.694 4.447 6.211 1.00 0.00 C ATOM 149 C CYS A 10 -4.758 5.495 6.545 1.00 0.00 C ATOM 150 O CYS A 10 -4.438 6.568 7.053 1.00 0.00 O ATOM 151 CB CYS A 10 -3.162 3.753 7.466 1.00 0.00 C ATOM 152 SG CYS A 10 -4.199 2.298 7.865 1.00 0.00 S ATOM 0 H CYS A 10 -1.756 5.208 5.977 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.140 3.660 5.603 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.129 3.442 7.309 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.161 4.450 8.304 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.508 1.453 8.570 1.00 0.00 H new ATOM 157 N PRO A 11 -6.034 5.137 6.238 1.00 0.00 N ATOM 158 CA PRO A 11 -7.146 6.035 6.500 1.00 0.00 C ATOM 159 C PRO A 11 -7.479 6.074 7.994 1.00 0.00 C ATOM 160 O PRO A 11 -7.838 7.123 8.526 1.00 0.00 O ATOM 161 CB PRO A 11 -8.289 5.504 5.650 1.00 0.00 C ATOM 162 CG PRO A 11 -7.920 4.071 5.306 1.00 0.00 C ATOM 163 CD PRO A 11 -6.450 3.875 5.636 1.00 0.00 C ATOM 0 HA PRO A 11 -6.922 7.070 6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.232 5.545 6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.416 6.102 4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.535 3.372 5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.104 3.873 4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.306 3.042 6.324 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.869 3.653 4.741 1.00 0.00 H new ATOM 168 N ASP A 12 -7.348 4.918 8.626 1.00 0.00 N ATOM 169 CA ASP A 12 -7.630 4.806 10.047 1.00 0.00 C ATOM 170 C ASP A 12 -6.395 5.230 10.843 1.00 0.00 C ATOM 171 O ASP A 12 -6.508 5.941 11.841 1.00 0.00 O ATOM 172 CB ASP A 12 -7.967 3.363 10.431 1.00 0.00 C ATOM 173 CG ASP A 12 -9.376 3.154 10.986 1.00 0.00 C ATOM 174 OD1 ASP A 12 -10.060 4.114 11.372 1.00 0.00 O ATOM 175 OD2 ASP A 12 -9.775 1.927 11.015 1.00 0.00 O ATOM 0 H ASP A 12 -7.050 4.050 8.180 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.482 5.447 10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.841 2.730 9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.246 3.023 11.174 1.00 0.00 H new ATOM 180 N CYS A 13 -5.242 4.775 10.373 1.00 0.00 N ATOM 181 CA CYS A 13 -3.987 5.100 11.029 1.00 0.00 C ATOM 182 C CYS A 13 -3.611 6.537 10.665 1.00 0.00 C ATOM 183 O CYS A 13 -2.953 7.227 11.442 1.00 0.00 O ATOM 184 CB CYS A 13 -2.881 4.110 10.654 1.00 0.00 C ATOM 185 SG CYS A 13 -2.061 3.487 12.167 1.00 0.00 S ATOM 0 H CYS A 13 -5.151 4.184 9.546 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.108 5.020 12.109 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.302 3.278 10.090 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.150 4.596 10.008 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.354 2.232 12.334 1.00 0.00 H new ATOM 190 N GLU A 14 -4.047 6.948 9.483 1.00 0.00 N ATOM 191 CA GLU A 14 -3.765 8.292 9.007 1.00 0.00 C ATOM 192 C GLU A 14 -2.266 8.464 8.760 1.00 0.00 C ATOM 193 O GLU A 14 -1.798 9.572 8.500 1.00 0.00 O ATOM 194 CB GLU A 14 -4.283 9.342 9.992 1.00 0.00 C ATOM 195 CG GLU A 14 -5.781 9.588 9.794 1.00 0.00 C ATOM 196 CD GLU A 14 -6.111 11.078 9.906 1.00 0.00 C ATOM 197 OE1 GLU A 14 -6.373 11.733 8.886 1.00 0.00 O ATOM 198 OE2 GLU A 14 -6.089 11.553 11.105 1.00 0.00 O ATOM 0 H GLU A 14 -4.593 6.374 8.841 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.288 8.439 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.097 9.010 11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.736 10.275 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.088 9.216 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.347 9.029 10.540 1.00 0.00 H new ATOM 204 N HIS A 15 -1.552 7.351 8.850 1.00 0.00 N ATOM 205 CA HIS A 15 -0.114 7.365 8.640 1.00 0.00 C ATOM 206 C HIS A 15 0.198 6.939 7.205 1.00 0.00 C ATOM 207 O HIS A 15 -0.555 6.175 6.601 1.00 0.00 O ATOM 208 CB HIS A 15 0.596 6.500 9.683 1.00 0.00 C ATOM 209 CG HIS A 15 2.101 6.630 9.667 1.00 0.00 C ATOM 210 ND1 HIS A 15 2.922 5.748 8.986 1.00 0.00 N ATOM 211 CD2 HIS A 15 2.922 7.546 10.255 1.00 0.00 C ATOM 212 CE1 HIS A 15 4.179 6.126 9.162 1.00 0.00 C ATOM 213 NE2 HIS A 15 4.177 7.240 9.950 1.00 0.00 N ATOM 0 H HIS A 15 -1.943 6.434 9.065 1.00 0.00 H new ATOM 0 HA HIS A 15 0.267 8.378 8.773 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.229 6.768 10.674 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.330 5.456 9.517 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.605 8.379 10.865 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.052 5.638 8.754 1.00 0.00 H new ATOM 0 HE2 HIS A 15 5.004 7.753 10.255 1.00 0.00 H new ATOM 220 N GLU A 16 1.310 7.452 6.697 1.00 0.00 N ATOM 221 CA GLU A 16 1.732 7.133 5.343 1.00 0.00 C ATOM 222 C GLU A 16 2.593 5.870 5.339 1.00 0.00 C ATOM 223 O GLU A 16 3.443 5.690 6.210 1.00 0.00 O ATOM 224 CB GLU A 16 2.480 8.309 4.712 1.00 0.00 C ATOM 225 CG GLU A 16 1.594 9.555 4.653 1.00 0.00 C ATOM 226 CD GLU A 16 2.436 10.831 4.710 1.00 0.00 C ATOM 227 OE1 GLU A 16 2.524 11.470 5.768 1.00 0.00 O ATOM 228 OE2 GLU A 16 3.015 11.152 3.603 1.00 0.00 O ATOM 0 H GLU A 16 1.931 8.086 7.199 1.00 0.00 H new ATOM 0 HA GLU A 16 0.843 6.944 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.379 8.525 5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.804 8.041 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.006 9.544 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.889 9.543 5.484 1.00 0.00 H new ATOM 234 N GLN A 17 2.345 5.026 4.348 1.00 0.00 N ATOM 235 CA GLN A 17 3.087 3.784 4.219 1.00 0.00 C ATOM 236 C GLN A 17 3.306 3.447 2.742 1.00 0.00 C ATOM 237 O GLN A 17 2.549 3.892 1.882 1.00 0.00 O ATOM 238 CB GLN A 17 2.372 2.640 4.942 1.00 0.00 C ATOM 239 CG GLN A 17 3.074 2.298 6.257 1.00 0.00 C ATOM 240 CD GLN A 17 3.328 0.793 6.368 1.00 0.00 C ATOM 241 OE1 GLN A 17 4.452 0.321 6.313 1.00 0.00 O ATOM 242 NE2 GLN A 17 2.225 0.069 6.527 1.00 0.00 N ATOM 0 H GLN A 17 1.640 5.178 3.627 1.00 0.00 H new ATOM 0 HA GLN A 17 4.061 3.915 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.338 2.921 5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.346 1.759 4.300 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.020 2.836 6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.463 2.630 7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.315 0.528 6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.289 -0.946 6.611 1.00 0.00 H new ATOM 249 N VAL A 18 4.346 2.665 2.494 1.00 0.00 N ATOM 250 CA VAL A 18 4.674 2.263 1.137 1.00 0.00 C ATOM 251 C VAL A 18 4.530 0.745 1.009 1.00 0.00 C ATOM 252 O VAL A 18 5.204 -0.006 1.712 1.00 0.00 O ATOM 253 CB VAL A 18 6.071 2.765 0.767 1.00 0.00 C ATOM 254 CG1 VAL A 18 6.394 2.455 -0.697 1.00 0.00 C ATOM 255 CG2 VAL A 18 6.210 4.262 1.053 1.00 0.00 C ATOM 0 H VAL A 18 4.973 2.299 3.210 1.00 0.00 H new ATOM 0 HA VAL A 18 3.982 2.715 0.427 1.00 0.00 H new ATOM 0 HB VAL A 18 6.793 2.237 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.392 2.822 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.356 1.378 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.664 2.944 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.212 4.593 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.474 4.814 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.042 4.447 2.114 1.00 0.00 H new ATOM 265 N ILE A 19 3.648 0.340 0.108 1.00 0.00 N ATOM 266 CA ILE A 19 3.408 -1.075 -0.121 1.00 0.00 C ATOM 267 C ILE A 19 3.429 -1.354 -1.624 1.00 0.00 C ATOM 268 O ILE A 19 3.385 -0.428 -2.433 1.00 0.00 O ATOM 269 CB ILE A 19 2.115 -1.517 0.570 1.00 0.00 C ATOM 270 CG1 ILE A 19 0.905 -0.783 -0.012 1.00 0.00 C ATOM 271 CG2 ILE A 19 2.216 -1.344 2.086 1.00 0.00 C ATOM 272 CD1 ILE A 19 -0.231 -1.761 -0.323 1.00 0.00 C ATOM 0 H ILE A 19 3.090 0.967 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 19 4.202 -1.674 0.325 1.00 0.00 H new ATOM 0 HB ILE A 19 1.971 -2.580 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.558 -0.029 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.197 -0.257 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.284 -1.665 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.039 -1.948 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.396 -0.295 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.079 -1.214 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.112 -2.499 -1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.536 -2.267 0.593 1.00 0.00 H new ATOM 283 N PHE A 20 3.496 -2.635 -1.954 1.00 0.00 N ATOM 284 CA PHE A 20 3.524 -3.049 -3.347 1.00 0.00 C ATOM 285 C PHE A 20 2.137 -2.929 -3.983 1.00 0.00 C ATOM 286 O PHE A 20 1.124 -3.046 -3.296 1.00 0.00 O ATOM 287 CB PHE A 20 3.956 -4.517 -3.369 1.00 0.00 C ATOM 288 CG PHE A 20 5.260 -4.793 -2.617 1.00 0.00 C ATOM 289 CD1 PHE A 20 6.446 -4.376 -3.137 1.00 0.00 C ATOM 290 CD2 PHE A 20 5.233 -5.455 -1.430 1.00 0.00 C ATOM 291 CE1 PHE A 20 7.656 -4.631 -2.439 1.00 0.00 C ATOM 292 CE2 PHE A 20 6.444 -5.712 -0.733 1.00 0.00 C ATOM 293 CZ PHE A 20 7.629 -5.294 -1.252 1.00 0.00 C ATOM 0 H PHE A 20 3.532 -3.400 -1.281 1.00 0.00 H new ATOM 0 HA PHE A 20 4.209 -2.414 -3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.162 -5.125 -2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.071 -4.836 -4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.467 -3.851 -4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.291 -5.785 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.597 -4.298 -2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.423 -6.239 0.209 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.549 -5.489 -0.721 1.00 0.00 H new ATOM 302 N ASP A 21 2.138 -2.697 -5.287 1.00 0.00 N ATOM 303 CA ASP A 21 0.893 -2.559 -6.023 1.00 0.00 C ATOM 304 C ASP A 21 0.421 -3.940 -6.481 1.00 0.00 C ATOM 305 O ASP A 21 -0.486 -4.049 -7.305 1.00 0.00 O ATOM 306 CB ASP A 21 1.080 -1.687 -7.265 1.00 0.00 C ATOM 307 CG ASP A 21 2.095 -2.218 -8.280 1.00 0.00 C ATOM 308 OD1 ASP A 21 1.728 -2.644 -9.386 1.00 0.00 O ATOM 309 OD2 ASP A 21 3.324 -2.184 -7.892 1.00 0.00 O ATOM 0 H ASP A 21 2.981 -2.601 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 21 0.162 -2.093 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.116 -1.576 -7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.392 -0.692 -6.948 1.00 0.00 H new ATOM 314 N HIS A 22 1.057 -4.962 -5.927 1.00 0.00 N ATOM 315 CA HIS A 22 0.713 -6.332 -6.268 1.00 0.00 C ATOM 316 C HIS A 22 1.445 -7.293 -5.330 1.00 0.00 C ATOM 317 O HIS A 22 2.276 -8.086 -5.773 1.00 0.00 O ATOM 318 CB HIS A 22 0.999 -6.611 -7.745 1.00 0.00 C ATOM 319 CG HIS A 22 1.074 -8.080 -8.089 1.00 0.00 C ATOM 320 ND1 HIS A 22 1.907 -8.577 -9.076 1.00 0.00 N ATOM 321 CD2 HIS A 22 0.413 -9.153 -7.566 1.00 0.00 C ATOM 322 CE1 HIS A 22 1.745 -9.891 -9.138 1.00 0.00 C ATOM 323 NE2 HIS A 22 0.819 -10.246 -8.201 1.00 0.00 N ATOM 0 H HIS A 22 1.809 -4.869 -5.244 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.357 -6.489 -6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.220 -6.146 -8.350 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.941 -6.136 -8.018 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.317 -9.119 -6.770 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.256 -10.563 -9.812 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.492 -11.195 -8.018 1.00 0.00 H new ATOM 330 N PRO A 23 1.102 -7.190 -4.019 1.00 0.00 N ATOM 331 CA PRO A 23 1.716 -8.041 -3.015 1.00 0.00 C ATOM 332 C PRO A 23 1.158 -9.464 -3.084 1.00 0.00 C ATOM 333 O PRO A 23 0.256 -9.743 -3.873 1.00 0.00 O ATOM 334 CB PRO A 23 1.431 -7.355 -1.688 1.00 0.00 C ATOM 335 CG PRO A 23 0.276 -6.402 -1.953 1.00 0.00 C ATOM 336 CD PRO A 23 0.122 -6.264 -3.459 1.00 0.00 C ATOM 0 HA PRO A 23 2.789 -8.159 -3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.169 -8.083 -0.920 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.308 -6.816 -1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.643 -6.783 -1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.471 -5.431 -1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.889 -6.517 -3.778 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.313 -5.241 -3.784 1.00 0.00 H new ATOM 341 N SER A 24 1.718 -10.327 -2.249 1.00 0.00 N ATOM 342 CA SER A 24 1.287 -11.714 -2.207 1.00 0.00 C ATOM 343 C SER A 24 0.652 -12.023 -0.849 1.00 0.00 C ATOM 344 O SER A 24 -0.280 -12.822 -0.763 1.00 0.00 O ATOM 345 CB SER A 24 2.457 -12.663 -2.474 1.00 0.00 C ATOM 346 OG SER A 24 3.455 -12.578 -1.460 1.00 0.00 O ATOM 0 H SER A 24 2.466 -10.093 -1.597 1.00 0.00 H new ATOM 0 HA SER A 24 0.545 -11.866 -2.991 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.087 -13.687 -2.534 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.902 -12.428 -3.441 1.00 0.00 H new ATOM 0 HG SER A 24 4.184 -13.200 -1.666 1.00 0.00 H new ATOM 351 N THR A 25 1.182 -11.375 0.178 1.00 0.00 N ATOM 352 CA THR A 25 0.679 -11.571 1.527 1.00 0.00 C ATOM 353 C THR A 25 -0.145 -10.361 1.970 1.00 0.00 C ATOM 354 O THR A 25 -0.045 -9.287 1.379 1.00 0.00 O ATOM 355 CB THR A 25 1.873 -11.859 2.439 1.00 0.00 C ATOM 356 OG1 THR A 25 2.972 -11.230 1.783 1.00 0.00 O ATOM 357 CG2 THR A 25 2.250 -13.341 2.460 1.00 0.00 C ATOM 0 H THR A 25 1.955 -10.714 0.103 1.00 0.00 H new ATOM 0 HA THR A 25 0.000 -12.423 1.576 1.00 0.00 H new ATOM 0 HB THR A 25 1.643 -11.529 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.833 -10.260 1.768 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.103 -13.490 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.404 -13.927 2.820 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.512 -13.664 1.453 1.00 0.00 H new ATOM 365 N ILE A 26 -0.944 -10.576 3.005 1.00 0.00 N ATOM 366 CA ILE A 26 -1.786 -9.517 3.533 1.00 0.00 C ATOM 367 C ILE A 26 -0.901 -8.401 4.095 1.00 0.00 C ATOM 368 O ILE A 26 0.113 -8.670 4.735 1.00 0.00 O ATOM 369 CB ILE A 26 -2.783 -10.080 4.548 1.00 0.00 C ATOM 370 CG1 ILE A 26 -3.591 -11.230 3.942 1.00 0.00 C ATOM 371 CG2 ILE A 26 -3.684 -8.976 5.102 1.00 0.00 C ATOM 372 CD1 ILE A 26 -4.354 -11.995 5.025 1.00 0.00 C ATOM 0 H ILE A 26 -1.026 -11.469 3.492 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.389 -9.078 2.738 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.222 -10.488 5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.293 -10.838 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.923 -11.910 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.383 -9.403 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.072 -8.221 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.240 -8.516 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.920 -12.807 4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.648 -12.407 5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.039 -11.318 5.535 1.00 0.00 H new ATOM 383 N VAL A 27 -1.321 -7.171 3.835 1.00 0.00 N ATOM 384 CA VAL A 27 -0.579 -6.013 4.307 1.00 0.00 C ATOM 385 C VAL A 27 -1.247 -5.466 5.570 1.00 0.00 C ATOM 386 O VAL A 27 -2.368 -4.964 5.516 1.00 0.00 O ATOM 387 CB VAL A 27 -0.469 -4.973 3.191 1.00 0.00 C ATOM 388 CG1 VAL A 27 0.543 -3.884 3.554 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.108 -5.634 1.858 1.00 0.00 C ATOM 0 H VAL A 27 -2.164 -6.951 3.305 1.00 0.00 H new ATOM 0 HA VAL A 27 0.440 -6.294 4.573 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.444 -4.500 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.602 -3.157 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.226 -3.383 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.523 -4.335 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.036 -4.872 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.849 -6.146 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.880 -6.355 1.589 1.00 0.00 H new ATOM 399 N LYS A 28 -0.528 -5.580 6.677 1.00 0.00 N ATOM 400 CA LYS A 28 -1.036 -5.102 7.952 1.00 0.00 C ATOM 401 C LYS A 28 -0.278 -3.838 8.357 1.00 0.00 C ATOM 402 O LYS A 28 0.935 -3.750 8.170 1.00 0.00 O ATOM 403 CB LYS A 28 -0.982 -6.215 9.001 1.00 0.00 C ATOM 404 CG LYS A 28 -2.267 -7.046 8.987 1.00 0.00 C ATOM 405 CD LYS A 28 -1.979 -8.507 9.335 1.00 0.00 C ATOM 406 CE LYS A 28 -3.175 -9.399 8.991 1.00 0.00 C ATOM 407 NZ LYS A 28 -3.549 -10.233 10.155 1.00 0.00 N ATOM 0 H LYS A 28 0.402 -5.996 6.718 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.087 -4.828 7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.125 -6.861 8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.837 -5.780 9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.980 -6.632 9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.731 -6.988 8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.098 -8.847 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.750 -8.593 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.022 -8.782 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.928 -10.037 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.362 -10.832 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.744 -10.835 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.804 -9.619 10.955 1.00 0.00 H new ATOM 416 N CYS A 29 -1.024 -2.888 8.904 1.00 0.00 N ATOM 417 CA CYS A 29 -0.436 -1.632 9.338 1.00 0.00 C ATOM 418 C CYS A 29 0.671 -1.942 10.348 1.00 0.00 C ATOM 419 O CYS A 29 0.422 -2.576 11.372 1.00 0.00 O ATOM 420 CB CYS A 29 -1.490 -0.687 9.919 1.00 0.00 C ATOM 421 SG CYS A 29 -0.942 1.050 9.733 1.00 0.00 S ATOM 0 H CYS A 29 -2.030 -2.963 9.056 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.008 -1.112 8.481 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.442 -0.833 9.409 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.654 -0.915 10.972 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.511 1.784 10.642 1.00 0.00 H new ATOM 426 N ILE A 30 1.870 -1.481 10.022 1.00 0.00 N ATOM 427 CA ILE A 30 3.016 -1.701 10.887 1.00 0.00 C ATOM 428 C ILE A 30 2.825 -0.918 12.188 1.00 0.00 C ATOM 429 O ILE A 30 3.578 -1.103 13.143 1.00 0.00 O ATOM 430 CB ILE A 30 4.316 -1.365 10.151 1.00 0.00 C ATOM 431 CG1 ILE A 30 4.254 0.039 9.545 1.00 0.00 C ATOM 432 CG2 ILE A 30 4.642 -2.430 9.102 1.00 0.00 C ATOM 433 CD1 ILE A 30 5.516 0.836 9.882 1.00 0.00 C ATOM 0 H ILE A 30 2.072 -0.956 9.171 1.00 0.00 H new ATOM 0 HA ILE A 30 3.093 -2.754 11.157 1.00 0.00 H new ATOM 0 HB ILE A 30 5.131 -1.367 10.875 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.142 -0.032 8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.376 0.564 9.922 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.570 -2.168 8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.757 -3.398 9.590 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.832 -2.484 8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.447 1.830 9.440 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.611 0.926 10.964 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.389 0.321 9.482 1.00 0.00 H new ATOM 444 N ILE A 31 1.816 -0.061 12.182 1.00 0.00 N ATOM 445 CA ILE A 31 1.517 0.751 13.350 1.00 0.00 C ATOM 446 C ILE A 31 0.790 -0.105 14.389 1.00 0.00 C ATOM 447 O ILE A 31 1.400 -0.579 15.345 1.00 0.00 O ATOM 448 CB ILE A 31 0.749 2.010 12.945 1.00 0.00 C ATOM 449 CG1 ILE A 31 1.450 2.733 11.792 1.00 0.00 C ATOM 450 CG2 ILE A 31 0.529 2.930 14.147 1.00 0.00 C ATOM 451 CD1 ILE A 31 2.971 2.612 11.913 1.00 0.00 C ATOM 0 H ILE A 31 1.195 0.089 11.387 1.00 0.00 H new ATOM 0 HA ILE A 31 2.438 1.103 13.815 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.235 1.708 12.586 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.123 2.312 10.841 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.164 3.785 11.790 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.019 3.817 13.831 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.044 2.402 14.909 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.493 3.227 14.559 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.445 3.134 11.082 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.298 3.056 12.854 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.255 1.560 11.890 1.00 0.00 H new ATOM 462 N CYS A 32 -0.505 -0.277 14.165 1.00 0.00 N ATOM 463 CA CYS A 32 -1.322 -1.068 15.069 1.00 0.00 C ATOM 464 C CYS A 32 -1.388 -2.499 14.530 1.00 0.00 C ATOM 465 O CYS A 32 -1.126 -3.454 15.261 1.00 0.00 O ATOM 466 CB CYS A 32 -2.715 -0.461 15.250 1.00 0.00 C ATOM 467 SG CYS A 32 -3.808 -1.648 16.113 1.00 0.00 S ATOM 0 H CYS A 32 -1.008 0.118 13.371 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.869 -1.075 16.060 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.646 0.464 15.822 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.138 -0.205 14.279 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.987 -1.122 16.263 1.00 0.00 H new ATOM 472 N GLY A 33 -1.741 -2.601 13.258 1.00 0.00 N ATOM 473 CA GLY A 33 -1.844 -3.899 12.613 1.00 0.00 C ATOM 474 C GLY A 33 -3.174 -4.036 11.867 1.00 0.00 C ATOM 475 O GLY A 33 -3.729 -5.130 11.777 1.00 0.00 O ATOM 0 H GLY A 33 -1.959 -1.807 12.656 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.016 -4.029 11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.759 -4.688 13.360 1.00 0.00 H new ATOM 479 N ARG A 34 -3.645 -2.910 11.351 1.00 0.00 N ATOM 480 CA ARG A 34 -4.898 -2.891 10.616 1.00 0.00 C ATOM 481 C ARG A 34 -4.645 -3.143 9.129 1.00 0.00 C ATOM 482 O ARG A 34 -3.605 -2.758 8.598 1.00 0.00 O ATOM 483 CB ARG A 34 -5.614 -1.549 10.784 1.00 0.00 C ATOM 484 CG ARG A 34 -5.458 -0.684 9.532 1.00 0.00 C ATOM 485 CD ARG A 34 -5.983 0.732 9.776 1.00 0.00 C ATOM 486 NE ARG A 34 -7.097 0.700 10.749 1.00 0.00 N ATOM 487 CZ ARG A 34 -6.940 0.823 12.084 1.00 0.00 C ATOM 488 NH1 ARG A 34 -5.710 0.990 12.617 1.00 0.00 N ATOM 489 NH2 ARG A 34 -8.007 0.779 12.860 1.00 0.00 N ATOM 0 H ARG A 34 -3.181 -2.005 11.427 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.531 -3.681 11.019 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.672 -1.720 10.983 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.208 -1.022 11.647 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.408 -0.642 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.999 -1.138 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.180 1.366 10.151 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.322 1.169 8.837 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.043 0.577 10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.891 1.024 12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.600 1.082 13.627 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.932 0.654 12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.907 0.870 13.871 1.00 0.00 H new ATOM 499 N THR A 35 -5.614 -3.790 8.498 1.00 0.00 N ATOM 500 CA THR A 35 -5.509 -4.098 7.082 1.00 0.00 C ATOM 501 C THR A 35 -5.513 -2.812 6.254 1.00 0.00 C ATOM 502 O THR A 35 -6.430 -2.000 6.366 1.00 0.00 O ATOM 503 CB THR A 35 -6.646 -5.057 6.722 1.00 0.00 C ATOM 504 OG1 THR A 35 -6.606 -6.044 7.747 1.00 0.00 O ATOM 505 CG2 THR A 35 -6.368 -5.839 5.437 1.00 0.00 C ATOM 0 H THR A 35 -6.475 -4.109 8.941 1.00 0.00 H new ATOM 0 HA THR A 35 -4.564 -4.590 6.853 1.00 0.00 H new ATOM 0 HB THR A 35 -7.573 -4.495 6.610 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.312 -6.706 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.206 -6.504 5.228 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.241 -5.143 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.459 -6.428 5.559 1.00 0.00 H new ATOM 513 N VAL A 36 -4.477 -2.666 5.441 1.00 0.00 N ATOM 514 CA VAL A 36 -4.349 -1.492 4.595 1.00 0.00 C ATOM 515 C VAL A 36 -4.465 -1.911 3.127 1.00 0.00 C ATOM 516 O VAL A 36 -4.787 -1.092 2.268 1.00 0.00 O ATOM 517 CB VAL A 36 -3.041 -0.762 4.906 1.00 0.00 C ATOM 518 CG1 VAL A 36 -3.122 -0.042 6.254 1.00 0.00 C ATOM 519 CG2 VAL A 36 -1.854 -1.726 4.869 1.00 0.00 C ATOM 0 H VAL A 36 -3.718 -3.342 5.350 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.155 -0.787 4.797 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.885 -0.009 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.179 0.469 6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.932 0.687 6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.313 -0.769 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.936 -1.182 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.000 -2.512 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.778 -2.172 3.877 1.00 0.00 H new ATOM 529 N ALA A 37 -4.198 -3.186 2.887 1.00 0.00 N ATOM 530 CA ALA A 37 -4.269 -3.724 1.539 1.00 0.00 C ATOM 531 C ALA A 37 -4.555 -5.225 1.608 1.00 0.00 C ATOM 532 O ALA A 37 -4.010 -5.926 2.459 1.00 0.00 O ATOM 533 CB ALA A 37 -2.967 -3.411 0.796 1.00 0.00 C ATOM 0 H ALA A 37 -3.932 -3.862 3.603 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.083 -3.259 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.019 -3.814 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.825 -2.331 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.128 -3.864 1.324 1.00 0.00 H new ATOM 539 N GLU A 38 -5.408 -5.675 0.700 1.00 0.00 N ATOM 540 CA GLU A 38 -5.773 -7.081 0.646 1.00 0.00 C ATOM 541 C GLU A 38 -5.508 -7.646 -0.750 1.00 0.00 C ATOM 542 O GLU A 38 -6.134 -7.227 -1.722 1.00 0.00 O ATOM 543 CB GLU A 38 -7.234 -7.283 1.051 1.00 0.00 C ATOM 544 CG GLU A 38 -7.337 -7.856 2.466 1.00 0.00 C ATOM 545 CD GLU A 38 -8.763 -7.731 3.007 1.00 0.00 C ATOM 546 OE1 GLU A 38 -9.604 -7.062 2.387 1.00 0.00 O ATOM 547 OE2 GLU A 38 -8.986 -8.360 4.110 1.00 0.00 O ATOM 0 H GLU A 38 -5.857 -5.091 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.153 -7.625 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.764 -6.332 1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.721 -7.957 0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.037 -8.904 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.647 -7.331 3.126 1.00 0.00 H new ATOM 553 N PRO A 39 -4.553 -8.612 -0.808 1.00 0.00 N ATOM 554 CA PRO A 39 -4.196 -9.238 -2.069 1.00 0.00 C ATOM 555 C PRO A 39 -5.274 -10.229 -2.513 1.00 0.00 C ATOM 556 O PRO A 39 -4.993 -11.411 -2.710 1.00 0.00 O ATOM 557 CB PRO A 39 -2.851 -9.899 -1.815 1.00 0.00 C ATOM 558 CG PRO A 39 -2.723 -10.015 -0.304 1.00 0.00 C ATOM 559 CD PRO A 39 -3.788 -9.132 0.323 1.00 0.00 C ATOM 0 HA PRO A 39 -4.124 -8.522 -2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.802 -10.880 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.038 -9.304 -2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.851 -11.050 0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.730 -9.704 0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.423 -9.700 1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.341 -8.325 0.904 1.00 0.00 H new ATOM 564 N THR A 40 -6.485 -9.712 -2.657 1.00 0.00 N ATOM 565 CA THR A 40 -7.606 -10.536 -3.074 1.00 0.00 C ATOM 566 C THR A 40 -7.269 -11.282 -4.366 1.00 0.00 C ATOM 567 O THR A 40 -6.739 -10.693 -5.307 1.00 0.00 O ATOM 568 CB THR A 40 -8.836 -9.634 -3.197 1.00 0.00 C ATOM 569 OG1 THR A 40 -9.729 -10.375 -4.025 1.00 0.00 O ATOM 570 CG2 THR A 40 -8.552 -8.362 -3.999 1.00 0.00 C ATOM 0 H THR A 40 -6.714 -8.732 -2.492 1.00 0.00 H new ATOM 0 HA THR A 40 -7.824 -11.309 -2.337 1.00 0.00 H new ATOM 0 HB THR A 40 -9.189 -9.364 -2.202 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.555 -9.864 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.458 -7.758 -4.056 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.765 -7.790 -3.508 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.231 -8.631 -5.006 1.00 0.00 H new ATOM 578 N GLY A 41 -7.587 -12.568 -4.370 1.00 0.00 N ATOM 579 CA GLY A 41 -7.324 -13.402 -5.531 1.00 0.00 C ATOM 580 C GLY A 41 -5.863 -13.285 -5.970 1.00 0.00 C ATOM 581 O GLY A 41 -4.959 -13.713 -5.251 1.00 0.00 O ATOM 0 H GLY A 41 -8.025 -13.054 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.555 -14.441 -5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.979 -13.107 -6.351 1.00 0.00 H new ATOM 585 N GLY A 42 -5.676 -12.704 -7.145 1.00 0.00 N ATOM 586 CA GLY A 42 -4.339 -12.526 -7.688 1.00 0.00 C ATOM 587 C GLY A 42 -3.898 -11.065 -7.587 1.00 0.00 C ATOM 588 O GLY A 42 -2.944 -10.749 -6.877 1.00 0.00 O ATOM 0 H GLY A 42 -6.427 -12.350 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.636 -13.160 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.320 -12.844 -8.730 1.00 0.00 H new ATOM 592 N LYS A 43 -4.612 -10.213 -8.307 1.00 0.00 N ATOM 593 CA LYS A 43 -4.305 -8.793 -8.308 1.00 0.00 C ATOM 594 C LYS A 43 -4.552 -8.221 -6.910 1.00 0.00 C ATOM 595 O LYS A 43 -5.574 -8.510 -6.290 1.00 0.00 O ATOM 596 CB LYS A 43 -5.085 -8.076 -9.412 1.00 0.00 C ATOM 597 CG LYS A 43 -4.242 -7.943 -10.681 1.00 0.00 C ATOM 598 CD LYS A 43 -5.080 -8.225 -11.930 1.00 0.00 C ATOM 599 CE LYS A 43 -5.126 -7.002 -12.848 1.00 0.00 C ATOM 600 NZ LYS A 43 -4.072 -7.091 -13.883 1.00 0.00 N ATOM 0 H LYS A 43 -5.403 -10.479 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.252 -8.632 -8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.998 -8.628 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.386 -7.087 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.823 -6.939 -10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.402 -8.637 -10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.660 -9.074 -12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.093 -8.503 -11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.105 -6.933 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.991 -6.094 -12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.117 -6.253 -14.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.139 -7.135 -13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.218 -7.948 -14.454 1.00 0.00 H new ATOM 609 N GLY A 44 -3.598 -7.421 -6.456 1.00 0.00 N ATOM 610 CA GLY A 44 -3.700 -6.807 -5.144 1.00 0.00 C ATOM 611 C GLY A 44 -4.417 -5.457 -5.223 1.00 0.00 C ATOM 612 O GLY A 44 -4.185 -4.681 -6.149 1.00 0.00 O ATOM 0 H GLY A 44 -2.751 -7.184 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.241 -7.471 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.703 -6.669 -4.725 1.00 0.00 H new ATOM 616 N ASN A 45 -5.273 -5.220 -4.241 1.00 0.00 N ATOM 617 CA ASN A 45 -6.027 -3.978 -4.188 1.00 0.00 C ATOM 618 C ASN A 45 -5.736 -3.267 -2.866 1.00 0.00 C ATOM 619 O ASN A 45 -5.809 -3.876 -1.799 1.00 0.00 O ATOM 620 CB ASN A 45 -7.531 -4.242 -4.262 1.00 0.00 C ATOM 621 CG ASN A 45 -8.169 -3.468 -5.419 1.00 0.00 C ATOM 622 OD1 ASN A 45 -8.157 -2.249 -5.463 1.00 0.00 O ATOM 623 ND2 ASN A 45 -8.723 -4.241 -6.347 1.00 0.00 N ATOM 0 H ASN A 45 -5.462 -5.867 -3.475 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.727 -3.365 -5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.710 -5.309 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.001 -3.951 -3.323 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.174 -3.820 -7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.697 -5.256 -6.247 1.00 0.00 H new ATOM 629 N ILE A 46 -5.413 -1.987 -2.978 1.00 0.00 N ATOM 630 CA ILE A 46 -5.111 -1.185 -1.803 1.00 0.00 C ATOM 631 C ILE A 46 -6.415 -0.645 -1.211 1.00 0.00 C ATOM 632 O ILE A 46 -7.179 0.032 -1.898 1.00 0.00 O ATOM 633 CB ILE A 46 -4.093 -0.095 -2.145 1.00 0.00 C ATOM 634 CG1 ILE A 46 -2.772 -0.708 -2.615 1.00 0.00 C ATOM 635 CG2 ILE A 46 -3.895 0.859 -0.966 1.00 0.00 C ATOM 636 CD1 ILE A 46 -2.712 -0.778 -4.142 1.00 0.00 C ATOM 0 H ILE A 46 -5.354 -1.485 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.641 -1.798 -1.034 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.487 0.494 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.938 -0.114 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.662 -1.709 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.167 1.624 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.845 1.333 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.532 0.301 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.763 -1.218 -4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.533 -1.393 -4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.797 0.227 -4.556 1.00 0.00 H new ATOM 647 N LYS A 47 -6.627 -0.963 0.057 1.00 0.00 N ATOM 648 CA LYS A 47 -7.826 -0.518 0.749 1.00 0.00 C ATOM 649 C LYS A 47 -7.499 0.727 1.575 1.00 0.00 C ATOM 650 O LYS A 47 -7.961 0.864 2.707 1.00 0.00 O ATOM 651 CB LYS A 47 -8.426 -1.661 1.570 1.00 0.00 C ATOM 652 CG LYS A 47 -8.206 -3.008 0.878 1.00 0.00 C ATOM 653 CD LYS A 47 -9.434 -3.908 1.026 1.00 0.00 C ATOM 654 CE LYS A 47 -10.165 -4.062 -0.310 1.00 0.00 C ATOM 655 NZ LYS A 47 -11.579 -3.644 -0.178 1.00 0.00 N ATOM 0 H LYS A 47 -5.990 -1.523 0.624 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.596 -0.233 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.972 -1.679 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.493 -1.491 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.994 -2.847 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.334 -3.503 1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.129 -4.888 1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.111 -3.486 1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.671 -3.460 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.116 -5.099 -0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.061 -3.755 -1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.051 -4.236 0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.620 -2.647 0.117 1.00 0.00 H new ATOM 664 N ALA A 48 -6.704 1.603 0.978 1.00 0.00 N ATOM 665 CA ALA A 48 -6.310 2.832 1.646 1.00 0.00 C ATOM 666 C ALA A 48 -6.191 3.953 0.611 1.00 0.00 C ATOM 667 O ALA A 48 -6.163 3.693 -0.591 1.00 0.00 O ATOM 668 CB ALA A 48 -5.004 2.603 2.409 1.00 0.00 C ATOM 0 H ALA A 48 -6.322 1.486 0.039 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.064 3.132 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.709 3.525 2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.149 1.817 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.223 2.303 1.711 1.00 0.00 H new ATOM 674 N GLU A 49 -6.125 5.176 1.116 1.00 0.00 N ATOM 675 CA GLU A 49 -6.011 6.338 0.251 1.00 0.00 C ATOM 676 C GLU A 49 -4.600 6.426 -0.336 1.00 0.00 C ATOM 677 O GLU A 49 -3.648 6.744 0.375 1.00 0.00 O ATOM 678 CB GLU A 49 -6.373 7.620 1.004 1.00 0.00 C ATOM 679 CG GLU A 49 -5.911 8.858 0.233 1.00 0.00 C ATOM 680 CD GLU A 49 -6.843 10.044 0.489 1.00 0.00 C ATOM 681 OE1 GLU A 49 -7.979 10.058 -0.010 1.00 0.00 O ATOM 682 OE2 GLU A 49 -6.351 10.973 1.236 1.00 0.00 O ATOM 0 H GLU A 49 -6.148 5.388 2.114 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.719 6.226 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.451 7.664 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.911 7.609 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.895 9.118 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.883 8.637 -0.834 1.00 0.00 H new ATOM 688 N ILE A 50 -4.511 6.139 -1.626 1.00 0.00 N ATOM 689 CA ILE A 50 -3.234 6.181 -2.316 1.00 0.00 C ATOM 690 C ILE A 50 -2.806 7.639 -2.498 1.00 0.00 C ATOM 691 O ILE A 50 -3.557 8.447 -3.042 1.00 0.00 O ATOM 692 CB ILE A 50 -3.304 5.393 -3.624 1.00 0.00 C ATOM 693 CG1 ILE A 50 -3.674 3.930 -3.365 1.00 0.00 C ATOM 694 CG2 ILE A 50 -2.001 5.523 -4.415 1.00 0.00 C ATOM 695 CD1 ILE A 50 -3.167 3.029 -4.492 1.00 0.00 C ATOM 0 H ILE A 50 -5.304 5.876 -2.212 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.463 5.693 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.096 5.822 -4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.248 3.606 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.756 3.835 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.079 4.953 -5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.821 6.572 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.174 5.137 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.443 1.995 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.614 3.341 -5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.082 3.108 -4.561 1.00 0.00 H new ATOM 706 N ILE A 51 -1.600 7.931 -2.034 1.00 0.00 N ATOM 707 CA ILE A 51 -1.063 9.277 -2.140 1.00 0.00 C ATOM 708 C ILE A 51 -0.514 9.493 -3.551 1.00 0.00 C ATOM 709 O ILE A 51 -1.152 10.146 -4.376 1.00 0.00 O ATOM 710 CB ILE A 51 -0.036 9.532 -1.034 1.00 0.00 C ATOM 711 CG1 ILE A 51 -0.601 9.157 0.337 1.00 0.00 C ATOM 712 CG2 ILE A 51 0.462 10.978 -1.073 1.00 0.00 C ATOM 713 CD1 ILE A 51 -1.112 10.394 1.077 1.00 0.00 C ATOM 0 H ILE A 51 -0.979 7.258 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.851 10.015 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 51 0.826 8.889 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.413 8.440 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.171 8.667 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.191 11.133 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.930 11.176 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.379 11.657 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.508 10.099 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.292 11.098 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.901 10.868 0.492 1.00 0.00 H new ATOM 724 N GLU A 52 0.664 8.934 -3.786 1.00 0.00 N ATOM 725 CA GLU A 52 1.305 9.057 -5.084 1.00 0.00 C ATOM 726 C GLU A 52 2.481 8.084 -5.189 1.00 0.00 C ATOM 727 O GLU A 52 2.688 7.256 -4.303 1.00 0.00 O ATOM 728 CB GLU A 52 1.759 10.496 -5.336 1.00 0.00 C ATOM 729 CG GLU A 52 1.444 10.927 -6.770 1.00 0.00 C ATOM 730 CD GLU A 52 2.404 12.024 -7.235 1.00 0.00 C ATOM 731 OE1 GLU A 52 2.475 13.093 -6.610 1.00 0.00 O ATOM 732 OE2 GLU A 52 3.091 11.736 -8.288 1.00 0.00 O ATOM 0 H GLU A 52 1.191 8.395 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 52 0.577 8.800 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.263 11.166 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.830 10.580 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.518 10.068 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.417 11.288 -6.828 1.00 0.00 H new ATOM 738 N TYR A 53 3.222 8.217 -6.280 1.00 0.00 N ATOM 739 CA TYR A 53 4.372 7.360 -6.512 1.00 0.00 C ATOM 740 C TYR A 53 5.524 7.721 -5.573 1.00 0.00 C ATOM 741 O TYR A 53 5.746 8.895 -5.280 1.00 0.00 O ATOM 742 CB TYR A 53 4.806 7.620 -7.956 1.00 0.00 C ATOM 743 CG TYR A 53 3.958 6.892 -9.001 1.00 0.00 C ATOM 744 CD1 TYR A 53 2.645 7.262 -9.204 1.00 0.00 C ATOM 745 CD2 TYR A 53 4.508 5.865 -9.743 1.00 0.00 C ATOM 746 CE1 TYR A 53 1.846 6.577 -10.187 1.00 0.00 C ATOM 747 CE2 TYR A 53 3.710 5.180 -10.726 1.00 0.00 C ATOM 748 CZ TYR A 53 2.418 5.570 -10.900 1.00 0.00 C ATOM 749 OH TYR A 53 1.665 4.923 -11.830 1.00 0.00 O ATOM 0 H TYR A 53 3.048 8.905 -7.012 1.00 0.00 H new ATOM 0 HA TYR A 53 4.115 6.316 -6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.763 8.692 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.847 7.317 -8.072 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.216 8.066 -8.625 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.537 5.576 -9.586 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.816 6.857 -10.354 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.127 4.375 -11.312 1.00 0.00 H new ATOM 0 HH TYR A 53 2.205 4.229 -12.262 1.00 0.00 H new ATOM 758 N VAL A 54 6.228 6.691 -5.127 1.00 0.00 N ATOM 759 CA VAL A 54 7.351 6.886 -4.227 1.00 0.00 C ATOM 760 C VAL A 54 8.628 7.085 -5.047 1.00 0.00 C ATOM 761 O VAL A 54 8.707 6.649 -6.195 1.00 0.00 O ATOM 762 CB VAL A 54 7.447 5.713 -3.248 1.00 0.00 C ATOM 763 CG1 VAL A 54 7.591 6.211 -1.809 1.00 0.00 C ATOM 764 CG2 VAL A 54 6.241 4.783 -3.388 1.00 0.00 C ATOM 0 H VAL A 54 6.042 5.719 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 54 7.207 7.784 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 54 8.341 5.142 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.657 5.358 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.495 6.814 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.724 6.816 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.334 3.958 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.327 5.339 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.202 4.388 -4.403 1.00 0.00 H new ATOM 774 N ASP A 55 9.595 7.744 -4.426 1.00 0.00 N ATOM 775 CA ASP A 55 10.864 8.006 -5.084 1.00 0.00 C ATOM 776 C ASP A 55 11.811 6.829 -4.844 1.00 0.00 C ATOM 777 O ASP A 55 11.901 5.922 -5.671 1.00 0.00 O ATOM 778 CB ASP A 55 11.525 9.267 -4.523 1.00 0.00 C ATOM 779 CG ASP A 55 13.001 9.438 -4.885 1.00 0.00 C ATOM 780 OD1 ASP A 55 13.546 8.695 -5.715 1.00 0.00 O ATOM 781 OD2 ASP A 55 13.607 10.394 -4.266 1.00 0.00 O ATOM 0 H ASP A 55 9.525 8.104 -3.474 1.00 0.00 H new ATOM 0 HA ASP A 55 10.670 8.143 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.975 10.137 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.432 9.256 -3.437 1.00 0.00 H new ATOM 786 N GLN A 56 12.492 6.881 -3.709 1.00 0.00 N ATOM 787 CA GLN A 56 13.429 5.830 -3.350 1.00 0.00 C ATOM 788 C GLN A 56 12.900 4.469 -3.805 1.00 0.00 C ATOM 789 O GLN A 56 12.102 3.845 -3.108 1.00 0.00 O ATOM 790 CB GLN A 56 13.709 5.835 -1.847 1.00 0.00 C ATOM 791 CG GLN A 56 15.147 6.271 -1.557 1.00 0.00 C ATOM 792 CD GLN A 56 15.753 5.443 -0.423 1.00 0.00 C ATOM 793 OE1 GLN A 56 15.060 4.852 0.390 1.00 0.00 O ATOM 794 NE2 GLN A 56 17.083 5.432 -0.413 1.00 0.00 N ATOM 0 H GLN A 56 12.414 7.634 -3.026 1.00 0.00 H new ATOM 0 HA GLN A 56 14.372 6.021 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 56 13.013 6.508 -1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.538 4.839 -1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.753 6.160 -2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.163 7.328 -1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.603 5.948 -1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.583 4.907 0.304 1.00 0.00 H new ATOM 801 N ILE A 57 13.366 4.048 -4.972 1.00 0.00 N ATOM 802 CA ILE A 57 12.949 2.773 -5.529 1.00 0.00 C ATOM 803 C ILE A 57 13.491 1.638 -4.655 1.00 0.00 C ATOM 804 O ILE A 57 14.299 1.873 -3.759 1.00 0.00 O ATOM 805 CB ILE A 57 13.362 2.667 -6.998 1.00 0.00 C ATOM 806 CG1 ILE A 57 12.960 3.925 -7.772 1.00 0.00 C ATOM 807 CG2 ILE A 57 12.800 1.395 -7.637 1.00 0.00 C ATOM 808 CD1 ILE A 57 13.284 3.779 -9.260 1.00 0.00 C ATOM 0 H ILE A 57 14.029 4.568 -5.547 1.00 0.00 H new ATOM 0 HA ILE A 57 11.862 2.693 -5.522 1.00 0.00 H new ATOM 0 HB ILE A 57 14.449 2.595 -7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.893 4.110 -7.645 1.00 0.00 H new ATOM 0 HG13 ILE A 57 13.484 4.790 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.109 1.345 -8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 57 13.179 0.522 -7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 57 11.712 1.410 -7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.989 4.686 -9.787 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.355 3.619 -9.385 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.740 2.928 -9.669 1.00 0.00 H new ATOM 819 N GLU A 58 13.020 0.435 -4.946 1.00 0.00 N ATOM 820 CA GLU A 58 13.448 -0.736 -4.198 1.00 0.00 C ATOM 821 C GLU A 58 14.616 -1.422 -4.909 1.00 0.00 C ATOM 822 O GLU A 58 15.740 -0.924 -4.885 1.00 0.00 O ATOM 823 CB GLU A 58 12.285 -1.708 -3.991 1.00 0.00 C ATOM 824 CG GLU A 58 12.131 -2.071 -2.514 1.00 0.00 C ATOM 825 CD GLU A 58 11.477 -0.930 -1.733 1.00 0.00 C ATOM 826 OE1 GLU A 58 12.143 0.067 -1.418 1.00 0.00 O ATOM 827 OE2 GLU A 58 10.230 -1.104 -1.455 1.00 0.00 O ATOM 0 H GLU A 58 12.347 0.245 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 58 13.787 -0.411 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.362 -1.259 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.454 -2.612 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.528 -2.974 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.109 -2.295 -2.087 1.00 0.00 H new TER 833 GLU A 58