USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 544 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 109 MET CE :methyl 180:sc= -0.186 (180deg=-0.186) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= -0.0448 (180deg=-0.472) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -165:sc= -0.0195 (180deg=-0.284) USER MOD Single : A 135 GLN : amide:sc= -0.0351 K(o=-0.035,f=-1.6!) USER MOD Single : A 137 ASN : amide:sc= -2.28! C(o=-2.3!,f=-2.6!) USER MOD Single : A 138 TYR OH : rot 136:sc= 0.157 USER MOD Single : A 143 LYS NZ :NH3+ -163:sc= -0.0112 (180deg=-0.285) USER MOD Single : A 144 MET CE :methyl 154:sc= -0.18 (180deg=-1.32) USER MOD Single : A 145 MET CE :methyl -163:sc= 0 (180deg=-0.177) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.00301 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -18.747 -6.679 4.486 1.00 0.00 N ATOM 2 CA ASP A 80 -17.555 -7.572 4.547 1.00 0.00 C ATOM 3 C ASP A 80 -16.366 -6.900 3.874 1.00 0.00 C ATOM 4 O ASP A 80 -15.470 -6.392 4.547 1.00 0.00 O ATOM 5 CB ASP A 80 -17.875 -8.893 3.849 1.00 0.00 C ATOM 6 CG ASP A 80 -16.709 -9.861 4.004 1.00 0.00 C ATOM 7 OD1 ASP A 80 -15.684 -9.445 4.519 1.00 0.00 O ATOM 8 OD2 ASP A 80 -16.857 -11.006 3.607 1.00 0.00 O ATOM 0 HA ASP A 80 -17.302 -7.767 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.779 -9.329 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -18.073 -8.716 2.792 1.00 0.00 H new ATOM 15 N ALA A 81 -16.352 -6.898 2.546 1.00 0.00 N ATOM 16 CA ALA A 81 -15.248 -6.282 1.822 1.00 0.00 C ATOM 17 C ALA A 81 -14.946 -4.906 2.411 1.00 0.00 C ATOM 18 O ALA A 81 -13.788 -4.566 2.652 1.00 0.00 O ATOM 19 CB ALA A 81 -15.599 -6.142 0.338 1.00 0.00 C ATOM 0 H ALA A 81 -17.078 -7.308 1.958 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.368 -6.918 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.765 -5.680 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -15.795 -7.128 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.487 -5.518 0.231 1.00 0.00 H new ATOM 25 N GLU A 82 -15.991 -4.114 2.642 1.00 0.00 N ATOM 26 CA GLU A 82 -15.810 -2.786 3.196 1.00 0.00 C ATOM 27 C GLU A 82 -15.129 -2.868 4.559 1.00 0.00 C ATOM 28 O GLU A 82 -14.347 -1.991 4.924 1.00 0.00 O ATOM 29 CB GLU A 82 -17.162 -2.089 3.330 1.00 0.00 C ATOM 30 CG GLU A 82 -16.929 -0.610 3.607 1.00 0.00 C ATOM 31 CD GLU A 82 -16.411 0.084 2.350 1.00 0.00 C ATOM 32 OE1 GLU A 82 -16.431 -0.541 1.304 1.00 0.00 O ATOM 33 OE2 GLU A 82 -16.008 1.231 2.452 1.00 0.00 O ATOM 0 H GLU A 82 -16.960 -4.371 2.454 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.176 -2.209 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.743 -2.214 2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.739 -2.538 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.858 -0.142 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.211 -0.493 4.419 1.00 0.00 H new ATOM 40 N GLU A 83 -15.398 -3.941 5.295 1.00 0.00 N ATOM 41 CA GLU A 83 -14.764 -4.122 6.594 1.00 0.00 C ATOM 42 C GLU A 83 -13.319 -4.557 6.376 1.00 0.00 C ATOM 43 O GLU A 83 -12.385 -3.844 6.739 1.00 0.00 O ATOM 44 CB GLU A 83 -15.518 -5.164 7.420 1.00 0.00 C ATOM 45 CG GLU A 83 -14.887 -5.264 8.810 1.00 0.00 C ATOM 46 CD GLU A 83 -15.685 -6.235 9.671 1.00 0.00 C ATOM 47 OE1 GLU A 83 -16.795 -6.562 9.285 1.00 0.00 O ATOM 48 OE2 GLU A 83 -15.177 -6.637 10.705 1.00 0.00 O ATOM 0 H GLU A 83 -16.039 -4.686 5.021 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.785 -3.182 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.569 -4.886 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.484 -6.133 6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.854 -5.602 8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.864 -4.281 9.280 1.00 0.00 H new ATOM 55 N GLU A 84 -13.138 -5.734 5.783 1.00 0.00 N ATOM 56 CA GLU A 84 -11.795 -6.244 5.528 1.00 0.00 C ATOM 57 C GLU A 84 -10.922 -5.144 4.929 1.00 0.00 C ATOM 58 O GLU A 84 -9.793 -4.935 5.370 1.00 0.00 O ATOM 59 CB GLU A 84 -11.859 -7.438 4.571 1.00 0.00 C ATOM 60 CG GLU A 84 -10.456 -8.018 4.388 1.00 0.00 C ATOM 61 CD GLU A 84 -10.512 -9.265 3.513 1.00 0.00 C ATOM 62 OE1 GLU A 84 -11.547 -9.494 2.910 1.00 0.00 O ATOM 63 OE2 GLU A 84 -9.519 -9.972 3.459 1.00 0.00 O ATOM 0 H GLU A 84 -13.894 -6.345 5.474 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.358 -6.569 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.531 -8.200 4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.264 -7.125 3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.804 -7.274 3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.027 -8.265 5.359 1.00 0.00 H new ATOM 70 N LEU A 85 -11.443 -4.432 3.933 1.00 0.00 N ATOM 71 CA LEU A 85 -10.675 -3.353 3.318 1.00 0.00 C ATOM 72 C LEU A 85 -10.363 -2.268 4.344 1.00 0.00 C ATOM 73 O LEU A 85 -9.234 -1.786 4.420 1.00 0.00 O ATOM 74 CB LEU A 85 -11.453 -2.754 2.141 1.00 0.00 C ATOM 75 CG LEU A 85 -11.422 -3.725 0.950 1.00 0.00 C ATOM 76 CD1 LEU A 85 -12.418 -3.250 -0.114 1.00 0.00 C ATOM 77 CD2 LEU A 85 -9.998 -3.787 0.346 1.00 0.00 C ATOM 0 H LEU A 85 -12.373 -4.578 3.541 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.736 -3.764 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.484 -2.559 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.017 -1.797 1.854 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.698 -4.722 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.400 -3.936 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -13.421 -3.226 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.142 -2.250 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.990 -4.478 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.704 -2.795 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.296 -4.132 1.105 1.00 0.00 H new ATOM 89 N LYS A 86 -11.359 -1.892 5.139 1.00 0.00 N ATOM 90 CA LYS A 86 -11.149 -0.872 6.158 1.00 0.00 C ATOM 91 C LYS A 86 -10.163 -1.372 7.208 1.00 0.00 C ATOM 92 O LYS A 86 -9.252 -0.650 7.616 1.00 0.00 O ATOM 93 CB LYS A 86 -12.478 -0.493 6.815 1.00 0.00 C ATOM 94 CG LYS A 86 -12.255 0.664 7.791 1.00 0.00 C ATOM 95 CD LYS A 86 -13.603 1.129 8.343 1.00 0.00 C ATOM 96 CE LYS A 86 -13.388 2.306 9.297 1.00 0.00 C ATOM 97 NZ LYS A 86 -14.709 2.809 9.770 1.00 0.00 N ATOM 0 H LYS A 86 -12.305 -2.271 5.099 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.733 0.016 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.203 -0.205 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.893 -1.352 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.606 0.346 8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.752 1.489 7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.260 1.426 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.096 0.309 8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.780 1.993 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.843 3.103 8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.564 3.609 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.273 3.122 8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.213 2.047 10.267 1.00 0.00 H new ATOM 111 N GLU A 87 -10.340 -2.617 7.640 1.00 0.00 N ATOM 112 CA GLU A 87 -9.446 -3.188 8.636 1.00 0.00 C ATOM 113 C GLU A 87 -8.057 -3.396 8.041 1.00 0.00 C ATOM 114 O GLU A 87 -7.058 -2.944 8.600 1.00 0.00 O ATOM 115 CB GLU A 87 -10.004 -4.526 9.136 1.00 0.00 C ATOM 116 CG GLU A 87 -9.379 -4.872 10.492 1.00 0.00 C ATOM 117 CD GLU A 87 -7.889 -5.149 10.321 1.00 0.00 C ATOM 118 OE1 GLU A 87 -7.515 -5.658 9.276 1.00 0.00 O ATOM 119 OE2 GLU A 87 -7.142 -4.838 11.233 1.00 0.00 O ATOM 0 H GLU A 87 -11.082 -3.240 7.321 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.370 -2.497 9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.088 -4.467 9.229 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.789 -5.314 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.527 -4.049 11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.874 -5.745 10.918 1.00 0.00 H new ATOM 126 N ALA A 88 -7.999 -4.080 6.904 1.00 0.00 N ATOM 127 CA ALA A 88 -6.720 -4.333 6.256 1.00 0.00 C ATOM 128 C ALA A 88 -5.967 -3.018 6.088 1.00 0.00 C ATOM 129 O ALA A 88 -4.765 -2.946 6.340 1.00 0.00 O ATOM 130 CB ALA A 88 -6.940 -4.993 4.894 1.00 0.00 C ATOM 0 H ALA A 88 -8.810 -4.464 6.419 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.130 -5.008 6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.976 -5.177 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.465 -5.939 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.536 -4.334 4.262 1.00 0.00 H new ATOM 136 N PHE A 89 -6.682 -1.974 5.677 1.00 0.00 N ATOM 137 CA PHE A 89 -6.064 -0.666 5.503 1.00 0.00 C ATOM 138 C PHE A 89 -5.456 -0.200 6.821 1.00 0.00 C ATOM 139 O PHE A 89 -4.336 0.311 6.850 1.00 0.00 O ATOM 140 CB PHE A 89 -7.104 0.348 5.024 1.00 0.00 C ATOM 141 CG PHE A 89 -6.445 1.688 4.800 1.00 0.00 C ATOM 142 CD1 PHE A 89 -5.862 1.986 3.562 1.00 0.00 C ATOM 143 CD2 PHE A 89 -6.427 2.640 5.826 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.264 3.231 3.351 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.825 3.886 5.615 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.244 4.180 4.376 1.00 0.00 C ATOM 0 H PHE A 89 -7.678 -2.008 5.461 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.276 -0.745 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.566 0.000 4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.900 0.443 5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.875 1.253 2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.878 2.413 6.781 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.817 3.460 2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.809 4.620 6.407 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.780 5.141 4.212 1.00 0.00 H new ATOM 156 N LYS A 90 -6.192 -0.385 7.913 1.00 0.00 N ATOM 157 CA LYS A 90 -5.701 0.019 9.227 1.00 0.00 C ATOM 158 C LYS A 90 -4.410 -0.725 9.568 1.00 0.00 C ATOM 159 O LYS A 90 -3.535 -0.184 10.241 1.00 0.00 O ATOM 160 CB LYS A 90 -6.765 -0.263 10.293 1.00 0.00 C ATOM 161 CG LYS A 90 -6.305 0.290 11.642 1.00 0.00 C ATOM 162 CD LYS A 90 -7.410 0.087 12.680 1.00 0.00 C ATOM 163 CE LYS A 90 -6.966 0.666 14.025 1.00 0.00 C ATOM 164 NZ LYS A 90 -8.070 0.523 15.016 1.00 0.00 N ATOM 0 H LYS A 90 -7.120 -0.807 7.916 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.491 1.088 9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.711 0.195 10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.940 -1.336 10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.393 -0.215 11.962 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.067 1.350 11.551 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.327 0.573 12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.632 -0.975 12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.075 0.148 14.380 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.699 1.717 13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.769 0.916 15.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.909 1.036 14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.304 -0.484 15.132 1.00 0.00 H new ATOM 178 N VAL A 91 -4.288 -1.961 9.090 1.00 0.00 N ATOM 179 CA VAL A 91 -3.082 -2.745 9.345 1.00 0.00 C ATOM 180 C VAL A 91 -1.907 -2.208 8.528 1.00 0.00 C ATOM 181 O VAL A 91 -0.784 -2.120 9.020 1.00 0.00 O ATOM 182 CB VAL A 91 -3.326 -4.221 9.029 1.00 0.00 C ATOM 183 CG1 VAL A 91 -2.044 -5.018 9.282 1.00 0.00 C ATOM 184 CG2 VAL A 91 -4.438 -4.748 9.940 1.00 0.00 C ATOM 0 H VAL A 91 -4.998 -2.436 8.532 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.832 -2.656 10.402 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.619 -4.329 7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.219 -6.070 9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.247 -4.638 8.643 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.752 -4.915 10.327 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.619 -5.800 9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.136 -4.640 10.982 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.351 -4.179 9.766 1.00 0.00 H new ATOM 194 N PHE A 92 -2.166 -1.862 7.270 1.00 0.00 N ATOM 195 CA PHE A 92 -1.111 -1.349 6.403 1.00 0.00 C ATOM 196 C PHE A 92 -0.540 -0.058 6.971 1.00 0.00 C ATOM 197 O PHE A 92 0.652 0.212 6.840 1.00 0.00 O ATOM 198 CB PHE A 92 -1.651 -1.070 4.986 1.00 0.00 C ATOM 199 CG PHE A 92 -1.646 -2.339 4.165 1.00 0.00 C ATOM 200 CD1 PHE A 92 -2.092 -3.544 4.720 1.00 0.00 C ATOM 201 CD2 PHE A 92 -1.188 -2.307 2.842 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.080 -4.711 3.958 1.00 0.00 C ATOM 203 CE2 PHE A 92 -1.179 -3.474 2.080 1.00 0.00 C ATOM 204 CZ PHE A 92 -1.625 -4.679 2.637 1.00 0.00 C ATOM 0 H PHE A 92 -3.085 -1.926 6.833 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.330 -2.107 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.664 -0.672 5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.039 -0.311 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.446 -3.570 5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.842 -1.379 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.422 -5.640 4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.828 -3.449 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.617 -5.583 2.046 1.00 0.00 H new ATOM 214 N ASP A 93 -1.397 0.739 7.589 1.00 0.00 N ATOM 215 CA ASP A 93 -0.955 2.008 8.147 1.00 0.00 C ATOM 216 C ASP A 93 -0.116 1.789 9.406 1.00 0.00 C ATOM 217 O ASP A 93 -0.560 2.080 10.515 1.00 0.00 O ATOM 218 CB ASP A 93 -2.171 2.874 8.482 1.00 0.00 C ATOM 219 CG ASP A 93 -1.745 4.323 8.671 1.00 0.00 C ATOM 220 OD1 ASP A 93 -0.627 4.648 8.310 1.00 0.00 O ATOM 221 OD2 ASP A 93 -2.546 5.085 9.177 1.00 0.00 O ATOM 0 H ASP A 93 -2.388 0.535 7.716 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.336 2.514 7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.908 2.805 7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.650 2.506 9.389 1.00 0.00 H new ATOM 226 N LYS A 94 1.099 1.272 9.230 1.00 0.00 N ATOM 227 CA LYS A 94 1.965 1.015 10.373 1.00 0.00 C ATOM 228 C LYS A 94 2.064 2.271 11.237 1.00 0.00 C ATOM 229 O LYS A 94 1.941 2.203 12.459 1.00 0.00 O ATOM 230 CB LYS A 94 3.361 0.602 9.895 1.00 0.00 C ATOM 231 CG LYS A 94 4.192 0.113 11.084 1.00 0.00 C ATOM 232 CD LYS A 94 5.544 -0.399 10.582 1.00 0.00 C ATOM 233 CE LYS A 94 6.353 -0.949 11.759 1.00 0.00 C ATOM 234 NZ LYS A 94 7.670 -1.446 11.268 1.00 0.00 N ATOM 0 H LYS A 94 1.498 1.028 8.324 1.00 0.00 H new ATOM 0 HA LYS A 94 1.540 0.204 10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.281 -0.186 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.856 1.447 9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.340 0.924 11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.662 -0.681 11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.395 -1.178 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.092 0.408 10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.502 -0.170 12.507 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.805 -1.757 12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.220 -1.820 12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.518 -2.201 10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.192 -0.664 10.824 1.00 0.00 H new ATOM 248 N ASP A 95 2.285 3.415 10.599 1.00 0.00 N ATOM 249 CA ASP A 95 2.400 4.671 11.329 1.00 0.00 C ATOM 250 C ASP A 95 1.028 5.157 11.742 1.00 0.00 C ATOM 251 O ASP A 95 0.897 6.251 12.280 1.00 0.00 O ATOM 252 CB ASP A 95 3.063 5.740 10.458 1.00 0.00 C ATOM 253 CG ASP A 95 4.187 5.119 9.643 1.00 0.00 C ATOM 254 OD1 ASP A 95 5.125 4.625 10.245 1.00 0.00 O ATOM 255 OD2 ASP A 95 4.088 5.141 8.427 1.00 0.00 O ATOM 0 H ASP A 95 2.387 3.498 9.588 1.00 0.00 H new ATOM 0 HA ASP A 95 3.013 4.496 12.213 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.325 6.189 9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.456 6.540 11.085 1.00 0.00 H new ATOM 260 N GLN A 96 0.008 4.340 11.488 1.00 0.00 N ATOM 261 CA GLN A 96 -1.361 4.707 11.847 1.00 0.00 C ATOM 262 C GLN A 96 -1.604 6.200 11.610 1.00 0.00 C ATOM 263 O GLN A 96 -2.351 6.839 12.350 1.00 0.00 O ATOM 264 CB GLN A 96 -1.629 4.373 13.323 1.00 0.00 C ATOM 265 CG GLN A 96 -0.670 5.156 14.234 1.00 0.00 C ATOM 266 CD GLN A 96 -1.068 4.983 15.687 1.00 0.00 C ATOM 267 OE1 GLN A 96 -1.356 3.873 16.124 1.00 0.00 O ATOM 268 NE2 GLN A 96 -1.096 6.029 16.466 1.00 0.00 N ATOM 0 H GLN A 96 0.101 3.429 11.040 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.041 4.136 11.215 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.661 4.617 13.576 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.505 3.303 13.488 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.351 4.806 14.085 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.686 6.213 13.968 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.855 6.948 16.095 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.359 5.928 17.446 1.00 0.00 H new ATOM 277 N ASN A 97 -0.941 6.759 10.600 1.00 0.00 N ATOM 278 CA ASN A 97 -1.078 8.186 10.313 1.00 0.00 C ATOM 279 C ASN A 97 -2.308 8.455 9.457 1.00 0.00 C ATOM 280 O ASN A 97 -2.653 9.605 9.202 1.00 0.00 O ATOM 281 CB ASN A 97 0.164 8.698 9.585 1.00 0.00 C ATOM 282 CG ASN A 97 0.294 7.997 8.239 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.324 6.957 8.021 1.00 0.00 O ATOM 284 ND2 ASN A 97 1.061 8.505 7.317 1.00 0.00 N ATOM 0 H ASN A 97 -0.312 6.255 9.975 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.189 8.709 11.263 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.094 9.776 9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.053 8.515 10.189 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.149 8.040 6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.574 9.368 7.498 1.00 0.00 H new ATOM 291 N GLY A 98 -2.974 7.392 9.017 1.00 0.00 N ATOM 292 CA GLY A 98 -4.173 7.533 8.190 1.00 0.00 C ATOM 293 C GLY A 98 -3.847 7.372 6.706 1.00 0.00 C ATOM 294 O GLY A 98 -4.746 7.327 5.868 1.00 0.00 O ATOM 0 H GLY A 98 -2.708 6.428 9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.911 6.787 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.623 8.511 8.362 1.00 0.00 H new ATOM 298 N TYR A 99 -2.557 7.290 6.385 1.00 0.00 N ATOM 299 CA TYR A 99 -2.119 7.136 4.993 1.00 0.00 C ATOM 300 C TYR A 99 -1.051 6.052 4.888 1.00 0.00 C ATOM 301 O TYR A 99 -0.156 5.983 5.727 1.00 0.00 O ATOM 302 CB TYR A 99 -1.538 8.459 4.488 1.00 0.00 C ATOM 303 CG TYR A 99 -2.655 9.451 4.293 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.117 10.209 5.375 1.00 0.00 C ATOM 305 CD2 TYR A 99 -3.234 9.606 3.032 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.160 11.124 5.192 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.276 10.522 2.849 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.739 11.281 3.928 1.00 0.00 C ATOM 309 OH TYR A 99 -5.769 12.184 3.747 1.00 0.00 O ATOM 0 H TYR A 99 -1.797 7.327 7.065 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.979 6.851 4.387 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.812 8.847 5.203 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.008 8.302 3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.669 10.088 6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.878 9.019 2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.518 11.709 6.026 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.723 10.643 1.873 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.056 12.170 2.810 1.00 0.00 H new ATOM 319 N ILE A 100 -1.125 5.211 3.855 1.00 0.00 N ATOM 320 CA ILE A 100 -0.120 4.163 3.688 1.00 0.00 C ATOM 321 C ILE A 100 1.080 4.741 2.935 1.00 0.00 C ATOM 322 O ILE A 100 0.918 5.365 1.875 1.00 0.00 O ATOM 323 CB ILE A 100 -0.682 2.970 2.912 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.052 2.566 3.478 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.295 1.797 3.029 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.661 1.459 2.607 1.00 0.00 C ATOM 0 H ILE A 100 -1.851 5.233 3.139 1.00 0.00 H new ATOM 0 HA ILE A 100 0.182 3.812 4.675 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.807 3.244 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.944 2.217 4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.716 3.430 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.096 0.941 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.261 2.085 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.417 1.529 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.633 1.173 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.783 1.824 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.000 0.592 2.605 1.00 0.00 H new ATOM 338 N SER A 101 2.278 4.542 3.493 1.00 0.00 N ATOM 339 CA SER A 101 3.504 5.059 2.874 1.00 0.00 C ATOM 340 C SER A 101 4.172 3.981 2.030 1.00 0.00 C ATOM 341 O SER A 101 3.979 2.791 2.269 1.00 0.00 O ATOM 342 CB SER A 101 4.474 5.535 3.959 1.00 0.00 C ATOM 343 OG SER A 101 5.710 5.902 3.358 1.00 0.00 O ATOM 0 H SER A 101 2.426 4.032 4.364 1.00 0.00 H new ATOM 0 HA SER A 101 3.239 5.897 2.229 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.050 6.385 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.634 4.744 4.692 1.00 0.00 H new ATOM 0 HG SER A 101 6.332 6.209 4.050 1.00 0.00 H new ATOM 349 N ALA A 102 4.959 4.395 1.040 1.00 0.00 N ATOM 350 CA ALA A 102 5.635 3.429 0.182 1.00 0.00 C ATOM 351 C ALA A 102 6.419 2.435 1.034 1.00 0.00 C ATOM 352 O ALA A 102 6.399 1.234 0.772 1.00 0.00 O ATOM 353 CB ALA A 102 6.578 4.146 -0.787 1.00 0.00 C ATOM 0 H ALA A 102 5.141 5.373 0.816 1.00 0.00 H new ATOM 0 HA ALA A 102 4.885 2.889 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.075 3.412 -1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.006 4.834 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.325 4.703 -0.222 1.00 0.00 H new ATOM 359 N SER A 103 7.104 2.936 2.060 1.00 0.00 N ATOM 360 CA SER A 103 7.880 2.064 2.937 1.00 0.00 C ATOM 361 C SER A 103 6.973 1.020 3.590 1.00 0.00 C ATOM 362 O SER A 103 7.335 -0.153 3.672 1.00 0.00 O ATOM 363 CB SER A 103 8.584 2.892 4.013 1.00 0.00 C ATOM 364 OG SER A 103 9.430 3.851 3.389 1.00 0.00 O ATOM 0 H SER A 103 7.138 3.926 2.302 1.00 0.00 H new ATOM 0 HA SER A 103 8.631 1.549 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.848 3.393 4.642 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.169 2.242 4.663 1.00 0.00 H new ATOM 0 HG SER A 103 9.882 4.385 4.076 1.00 0.00 H new ATOM 370 N GLU A 104 5.796 1.440 4.053 1.00 0.00 N ATOM 371 CA GLU A 104 4.878 0.515 4.675 1.00 0.00 C ATOM 372 C GLU A 104 4.436 -0.550 3.669 1.00 0.00 C ATOM 373 O GLU A 104 4.292 -1.726 4.015 1.00 0.00 O ATOM 374 CB GLU A 104 3.666 1.280 5.207 1.00 0.00 C ATOM 375 CG GLU A 104 4.079 2.152 6.392 1.00 0.00 C ATOM 376 CD GLU A 104 2.852 2.868 6.946 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.937 3.110 6.177 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.838 3.161 8.131 1.00 0.00 O ATOM 0 H GLU A 104 5.468 2.405 4.006 1.00 0.00 H new ATOM 0 HA GLU A 104 5.378 0.016 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.242 1.901 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.889 0.580 5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.536 1.538 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.828 2.880 6.079 1.00 0.00 H new ATOM 385 N LEU A 105 4.226 -0.142 2.418 1.00 0.00 N ATOM 386 CA LEU A 105 3.808 -1.085 1.387 1.00 0.00 C ATOM 387 C LEU A 105 4.897 -2.143 1.169 1.00 0.00 C ATOM 388 O LEU A 105 4.612 -3.331 1.015 1.00 0.00 O ATOM 389 CB LEU A 105 3.522 -0.331 0.070 1.00 0.00 C ATOM 390 CG LEU A 105 2.447 -1.059 -0.767 1.00 0.00 C ATOM 391 CD1 LEU A 105 2.818 -2.536 -0.940 1.00 0.00 C ATOM 392 CD2 LEU A 105 1.067 -0.946 -0.078 1.00 0.00 C ATOM 0 H LEU A 105 4.337 0.821 2.099 1.00 0.00 H new ATOM 0 HA LEU A 105 2.896 -1.586 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.189 0.683 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.441 -0.244 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 105 2.396 -0.588 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.052 -3.037 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.778 -2.613 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.888 -3.011 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.318 -1.463 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.116 -1.400 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.793 0.105 0.018 1.00 0.00 H new ATOM 404 N ARG A 106 6.147 -1.702 1.158 1.00 0.00 N ATOM 405 CA ARG A 106 7.252 -2.626 0.953 1.00 0.00 C ATOM 406 C ARG A 106 7.314 -3.622 2.104 1.00 0.00 C ATOM 407 O ARG A 106 7.404 -4.818 1.882 1.00 0.00 O ATOM 408 CB ARG A 106 8.571 -1.861 0.838 1.00 0.00 C ATOM 409 CG ARG A 106 8.551 -1.039 -0.454 1.00 0.00 C ATOM 410 CD ARG A 106 9.926 -0.426 -0.700 1.00 0.00 C ATOM 411 NE ARG A 106 10.243 0.543 0.337 1.00 0.00 N ATOM 412 CZ ARG A 106 11.471 1.027 0.460 1.00 0.00 C ATOM 413 NH1 ARG A 106 12.401 0.643 -0.370 1.00 0.00 N ATOM 414 NH2 ARG A 106 11.748 1.883 1.405 1.00 0.00 N ATOM 0 H ARG A 106 6.418 -0.727 1.286 1.00 0.00 H new ATOM 0 HA ARG A 106 7.089 -3.171 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.705 -1.207 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.411 -2.555 0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.270 -1.673 -1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.800 -0.252 -0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.683 -1.210 -0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.946 0.058 -1.677 1.00 0.00 H new ATOM 0 HE ARG A 106 9.512 0.854 0.977 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.181 -0.026 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.348 1.012 -0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.019 2.182 2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.694 2.253 1.497 1.00 0.00 H new ATOM 428 N HIS A 107 7.244 -3.127 3.331 1.00 0.00 N ATOM 429 CA HIS A 107 7.290 -4.008 4.493 1.00 0.00 C ATOM 430 C HIS A 107 6.258 -5.114 4.344 1.00 0.00 C ATOM 431 O HIS A 107 6.518 -6.269 4.682 1.00 0.00 O ATOM 432 CB HIS A 107 7.024 -3.209 5.772 1.00 0.00 C ATOM 433 CG HIS A 107 7.097 -4.126 6.961 1.00 0.00 C ATOM 434 ND1 HIS A 107 5.972 -4.486 7.685 1.00 0.00 N ATOM 435 CD2 HIS A 107 8.152 -4.768 7.562 1.00 0.00 C ATOM 436 CE1 HIS A 107 6.371 -5.311 8.670 1.00 0.00 C ATOM 437 NE2 HIS A 107 7.691 -5.516 8.641 1.00 0.00 N ATOM 0 H HIS A 107 7.156 -2.134 3.549 1.00 0.00 H new ATOM 0 HA HIS A 107 8.282 -4.455 4.560 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.756 -2.408 5.872 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.042 -2.739 5.722 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.182 -4.702 7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 107 5.705 -5.754 9.396 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.242 -6.096 9.274 1.00 0.00 H new ATOM 446 N VAL A 108 5.097 -4.763 3.814 1.00 0.00 N ATOM 447 CA VAL A 108 4.043 -5.750 3.603 1.00 0.00 C ATOM 448 C VAL A 108 4.507 -6.795 2.590 1.00 0.00 C ATOM 449 O VAL A 108 4.274 -7.990 2.771 1.00 0.00 O ATOM 450 CB VAL A 108 2.763 -5.070 3.113 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.727 -6.133 2.747 1.00 0.00 C ATOM 452 CG2 VAL A 108 2.205 -4.180 4.226 1.00 0.00 C ATOM 0 H VAL A 108 4.859 -3.814 3.524 1.00 0.00 H new ATOM 0 HA VAL A 108 3.829 -6.244 4.551 1.00 0.00 H new ATOM 0 HB VAL A 108 2.986 -4.464 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.815 -5.648 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.124 -6.771 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.502 -6.739 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.293 -3.694 3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.982 -4.789 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.942 -3.422 4.490 1.00 0.00 H new ATOM 462 N MET A 109 5.163 -6.345 1.525 1.00 0.00 N ATOM 463 CA MET A 109 5.641 -7.269 0.505 1.00 0.00 C ATOM 464 C MET A 109 6.605 -8.279 1.122 1.00 0.00 C ATOM 465 O MET A 109 6.528 -9.472 0.832 1.00 0.00 O ATOM 466 CB MET A 109 6.341 -6.485 -0.620 1.00 0.00 C ATOM 467 CG MET A 109 5.303 -5.933 -1.601 1.00 0.00 C ATOM 468 SD MET A 109 3.861 -5.316 -0.697 1.00 0.00 S ATOM 469 CE MET A 109 2.623 -5.690 -1.958 1.00 0.00 C ATOM 0 H MET A 109 5.373 -5.363 1.348 1.00 0.00 H new ATOM 0 HA MET A 109 4.792 -7.809 0.086 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.923 -5.667 -0.196 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.040 -7.135 -1.146 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.742 -5.130 -2.193 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.998 -6.714 -2.298 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.639 -5.385 -1.603 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.862 -5.150 -2.874 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.620 -6.761 -2.159 1.00 0.00 H new ATOM 479 N ILE A 110 7.499 -7.808 1.980 1.00 0.00 N ATOM 480 CA ILE A 110 8.454 -8.706 2.620 1.00 0.00 C ATOM 481 C ILE A 110 7.706 -9.705 3.494 1.00 0.00 C ATOM 482 O ILE A 110 7.961 -10.905 3.436 1.00 0.00 O ATOM 483 CB ILE A 110 9.440 -7.898 3.472 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.971 -6.712 2.658 1.00 0.00 C ATOM 485 CG2 ILE A 110 10.622 -8.787 3.867 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.410 -7.178 1.270 1.00 0.00 C ATOM 0 H ILE A 110 7.584 -6.827 2.247 1.00 0.00 H new ATOM 0 HA ILE A 110 9.011 -9.246 1.854 1.00 0.00 H new ATOM 0 HB ILE A 110 8.928 -7.538 4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.197 -5.950 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 110 10.811 -6.252 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 110 11.323 -8.213 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.260 -9.640 4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 110 11.126 -9.143 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.785 -6.327 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.199 -7.924 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.560 -7.616 0.748 1.00 0.00 H new ATOM 498 N ASN A 111 6.774 -9.202 4.294 1.00 0.00 N ATOM 499 CA ASN A 111 5.993 -10.073 5.165 1.00 0.00 C ATOM 500 C ASN A 111 5.251 -11.108 4.328 1.00 0.00 C ATOM 501 O ASN A 111 5.081 -12.253 4.748 1.00 0.00 O ATOM 502 CB ASN A 111 5.000 -9.251 5.991 1.00 0.00 C ATOM 503 CG ASN A 111 4.032 -10.176 6.730 1.00 0.00 C ATOM 504 OD1 ASN A 111 2.816 -10.018 6.619 1.00 0.00 O ATOM 505 ND2 ASN A 111 4.502 -11.141 7.475 1.00 0.00 N ATOM 0 H ASN A 111 6.542 -8.211 4.359 1.00 0.00 H new ATOM 0 HA ASN A 111 6.669 -10.586 5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.538 -8.630 6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.444 -8.577 5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.861 -11.765 7.966 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.510 -11.271 7.566 1.00 0.00 H new ATOM 512 N LEU A 112 4.820 -10.702 3.142 1.00 0.00 N ATOM 513 CA LEU A 112 4.102 -11.607 2.256 1.00 0.00 C ATOM 514 C LEU A 112 5.064 -12.572 1.566 1.00 0.00 C ATOM 515 O LEU A 112 4.644 -13.453 0.818 1.00 0.00 O ATOM 516 CB LEU A 112 3.338 -10.813 1.195 1.00 0.00 C ATOM 517 CG LEU A 112 2.053 -10.214 1.798 1.00 0.00 C ATOM 518 CD1 LEU A 112 1.461 -9.182 0.829 1.00 0.00 C ATOM 519 CD2 LEU A 112 1.014 -11.325 2.056 1.00 0.00 C ATOM 0 H LEU A 112 4.953 -9.760 2.773 1.00 0.00 H new ATOM 0 HA LEU A 112 3.399 -12.180 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.970 -10.016 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.086 -11.462 0.356 1.00 0.00 H new ATOM 0 HG LEU A 112 2.302 -9.732 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.552 -8.760 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.186 -8.386 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.224 -9.666 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.111 -10.887 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.769 -11.819 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.427 -12.055 2.753 1.00 0.00 H new ATOM 531 N GLY A 113 6.345 -12.399 1.820 1.00 0.00 N ATOM 532 CA GLY A 113 7.352 -13.267 1.218 1.00 0.00 C ATOM 533 C GLY A 113 7.596 -12.890 -0.238 1.00 0.00 C ATOM 534 O GLY A 113 8.158 -13.672 -1.006 1.00 0.00 O ATOM 0 H GLY A 113 6.717 -11.674 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.284 -13.192 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.026 -14.305 1.279 1.00 0.00 H new ATOM 538 N GLU A 114 7.170 -11.685 -0.616 1.00 0.00 N ATOM 539 CA GLU A 114 7.345 -11.199 -1.988 1.00 0.00 C ATOM 540 C GLU A 114 8.264 -9.980 -1.987 1.00 0.00 C ATOM 541 O GLU A 114 8.185 -9.142 -1.092 1.00 0.00 O ATOM 542 CB GLU A 114 5.987 -10.798 -2.576 1.00 0.00 C ATOM 543 CG GLU A 114 5.096 -12.033 -2.720 1.00 0.00 C ATOM 544 CD GLU A 114 3.717 -11.619 -3.226 1.00 0.00 C ATOM 545 OE1 GLU A 114 3.529 -10.437 -3.467 1.00 0.00 O ATOM 546 OE2 GLU A 114 2.870 -12.486 -3.363 1.00 0.00 O ATOM 0 H GLU A 114 6.702 -11.027 0.007 1.00 0.00 H new ATOM 0 HA GLU A 114 7.785 -11.993 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.504 -10.064 -1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.127 -10.325 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.550 -12.742 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.004 -12.540 -1.760 1.00 0.00 H new ATOM 553 N LYS A 115 9.144 -9.886 -2.984 1.00 0.00 N ATOM 554 CA LYS A 115 10.080 -8.759 -3.079 1.00 0.00 C ATOM 555 C LYS A 115 10.056 -8.177 -4.490 1.00 0.00 C ATOM 556 O LYS A 115 10.581 -8.774 -5.428 1.00 0.00 O ATOM 557 CB LYS A 115 11.500 -9.229 -2.733 1.00 0.00 C ATOM 558 CG LYS A 115 11.732 -10.621 -3.324 1.00 0.00 C ATOM 559 CD LYS A 115 13.186 -11.037 -3.103 1.00 0.00 C ATOM 560 CE LYS A 115 13.445 -12.362 -3.821 1.00 0.00 C ATOM 561 NZ LYS A 115 12.566 -13.419 -3.247 1.00 0.00 N ATOM 0 H LYS A 115 9.231 -10.571 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 115 9.777 -7.987 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.234 -8.527 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.633 -9.254 -1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.062 -11.342 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.502 -10.617 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.858 -10.267 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.389 -11.142 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.251 -12.253 -4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.492 -12.647 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.928 -14.356 -3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.555 -13.337 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.600 -13.303 -3.613 1.00 0.00 H new ATOM 575 N LEU A 116 9.450 -7.004 -4.640 1.00 0.00 N ATOM 576 CA LEU A 116 9.371 -6.351 -5.947 1.00 0.00 C ATOM 577 C LEU A 116 10.508 -5.343 -6.088 1.00 0.00 C ATOM 578 O LEU A 116 11.156 -4.990 -5.105 1.00 0.00 O ATOM 579 CB LEU A 116 8.019 -5.642 -6.097 1.00 0.00 C ATOM 580 CG LEU A 116 6.925 -6.669 -6.420 1.00 0.00 C ATOM 581 CD1 LEU A 116 6.916 -7.773 -5.356 1.00 0.00 C ATOM 582 CD2 LEU A 116 5.567 -5.967 -6.432 1.00 0.00 C ATOM 0 H LEU A 116 9.008 -6.487 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 116 9.463 -7.104 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.772 -5.112 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.075 -4.896 -6.890 1.00 0.00 H new ATOM 0 HG LEU A 116 7.122 -7.113 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.137 -8.499 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.885 -8.272 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.719 -7.334 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.785 -6.691 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.377 -5.525 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.569 -5.184 -7.190 1.00 0.00 H new ATOM 594 N THR A 117 10.752 -4.877 -7.308 1.00 0.00 N ATOM 595 CA THR A 117 11.823 -3.908 -7.525 1.00 0.00 C ATOM 596 C THR A 117 11.428 -2.565 -6.916 1.00 0.00 C ATOM 597 O THR A 117 10.241 -2.259 -6.802 1.00 0.00 O ATOM 598 CB THR A 117 12.090 -3.740 -9.023 1.00 0.00 C ATOM 599 OG1 THR A 117 11.136 -2.843 -9.572 1.00 0.00 O ATOM 600 CG2 THR A 117 11.976 -5.096 -9.723 1.00 0.00 C ATOM 0 H THR A 117 10.236 -5.146 -8.146 1.00 0.00 H new ATOM 0 HA THR A 117 12.732 -4.271 -7.046 1.00 0.00 H new ATOM 0 HB THR A 117 13.094 -3.343 -9.170 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.305 -2.732 -10.531 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.167 -4.972 -10.789 1.00 0.00 H new ATOM 0 HG22 THR A 117 12.707 -5.786 -9.301 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.973 -5.497 -9.578 1.00 0.00 H new ATOM 608 N ASP A 118 12.413 -1.762 -6.523 1.00 0.00 N ATOM 609 CA ASP A 118 12.117 -0.461 -5.930 1.00 0.00 C ATOM 610 C ASP A 118 11.405 0.435 -6.936 1.00 0.00 C ATOM 611 O ASP A 118 10.456 1.136 -6.592 1.00 0.00 O ATOM 612 CB ASP A 118 13.405 0.209 -5.449 1.00 0.00 C ATOM 613 CG ASP A 118 13.925 -0.501 -4.202 1.00 0.00 C ATOM 614 OD1 ASP A 118 13.209 -1.338 -3.678 1.00 0.00 O ATOM 615 OD2 ASP A 118 15.032 -0.197 -3.790 1.00 0.00 O ATOM 0 H ASP A 118 13.406 -1.983 -6.602 1.00 0.00 H new ATOM 0 HA ASP A 118 11.460 -0.615 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.158 0.177 -6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.218 1.260 -5.229 1.00 0.00 H new ATOM 620 N GLU A 119 11.863 0.408 -8.182 1.00 0.00 N ATOM 621 CA GLU A 119 11.249 1.226 -9.220 1.00 0.00 C ATOM 622 C GLU A 119 9.815 0.774 -9.475 1.00 0.00 C ATOM 623 O GLU A 119 8.958 1.585 -9.812 1.00 0.00 O ATOM 624 CB GLU A 119 12.059 1.140 -10.515 1.00 0.00 C ATOM 625 CG GLU A 119 13.424 1.801 -10.301 1.00 0.00 C ATOM 626 CD GLU A 119 14.266 1.683 -11.566 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.887 2.273 -12.566 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.279 1.005 -11.518 1.00 0.00 O ATOM 0 H GLU A 119 12.647 -0.164 -8.495 1.00 0.00 H new ATOM 0 HA GLU A 119 11.237 2.261 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.188 0.098 -10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.525 1.636 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.292 2.851 -10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.940 1.327 -9.466 1.00 0.00 H new ATOM 635 N GLU A 120 9.543 -0.517 -9.298 1.00 0.00 N ATOM 636 CA GLU A 120 8.201 -1.021 -9.502 1.00 0.00 C ATOM 637 C GLU A 120 7.277 -0.504 -8.402 1.00 0.00 C ATOM 638 O GLU A 120 6.145 -0.103 -8.669 1.00 0.00 O ATOM 639 CB GLU A 120 8.228 -2.559 -9.515 1.00 0.00 C ATOM 640 CG GLU A 120 6.820 -3.113 -9.295 1.00 0.00 C ATOM 641 CD GLU A 120 5.847 -2.466 -10.280 1.00 0.00 C ATOM 642 OE1 GLU A 120 6.261 -2.193 -11.396 1.00 0.00 O ATOM 643 OE2 GLU A 120 4.705 -2.259 -9.907 1.00 0.00 O ATOM 0 H GLU A 120 10.228 -1.219 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 120 7.820 -0.669 -10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.622 -2.915 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.897 -2.925 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.820 -4.195 -9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.499 -2.918 -8.272 1.00 0.00 H new ATOM 650 N VAL A 121 7.762 -0.527 -7.167 1.00 0.00 N ATOM 651 CA VAL A 121 6.958 -0.061 -6.046 1.00 0.00 C ATOM 652 C VAL A 121 6.695 1.436 -6.180 1.00 0.00 C ATOM 653 O VAL A 121 5.571 1.895 -5.992 1.00 0.00 O ATOM 654 CB VAL A 121 7.663 -0.360 -4.720 1.00 0.00 C ATOM 655 CG1 VAL A 121 6.899 0.300 -3.569 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.705 -1.875 -4.495 1.00 0.00 C ATOM 0 H VAL A 121 8.694 -0.858 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 121 6.005 -0.589 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 121 8.678 0.035 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.403 0.085 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.866 1.378 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.883 -0.093 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.207 -2.089 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.688 -2.266 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.250 -2.349 -5.311 1.00 0.00 H new ATOM 666 N GLU A 122 7.736 2.194 -6.512 1.00 0.00 N ATOM 667 CA GLU A 122 7.588 3.632 -6.667 1.00 0.00 C ATOM 668 C GLU A 122 6.581 3.948 -7.764 1.00 0.00 C ATOM 669 O GLU A 122 5.747 4.837 -7.611 1.00 0.00 O ATOM 670 CB GLU A 122 8.941 4.266 -7.005 1.00 0.00 C ATOM 671 CG GLU A 122 9.879 4.167 -5.799 1.00 0.00 C ATOM 672 CD GLU A 122 9.347 5.020 -4.653 1.00 0.00 C ATOM 673 OE1 GLU A 122 8.574 5.924 -4.923 1.00 0.00 O ATOM 674 OE2 GLU A 122 9.715 4.754 -3.520 1.00 0.00 O ATOM 0 H GLU A 122 8.678 1.840 -6.676 1.00 0.00 H new ATOM 0 HA GLU A 122 7.224 4.046 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.384 3.762 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.803 5.310 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.966 3.128 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 122 10.879 4.500 -6.077 1.00 0.00 H new ATOM 681 N GLN A 123 6.647 3.206 -8.861 1.00 0.00 N ATOM 682 CA GLN A 123 5.714 3.420 -9.961 1.00 0.00 C ATOM 683 C GLN A 123 4.287 3.093 -9.529 1.00 0.00 C ATOM 684 O GLN A 123 3.350 3.817 -9.864 1.00 0.00 O ATOM 685 CB GLN A 123 6.107 2.561 -11.168 1.00 0.00 C ATOM 686 CG GLN A 123 7.325 3.175 -11.865 1.00 0.00 C ATOM 687 CD GLN A 123 7.772 2.282 -13.017 1.00 0.00 C ATOM 688 OE1 GLN A 123 8.108 1.116 -12.805 1.00 0.00 O ATOM 689 NE2 GLN A 123 7.795 2.760 -14.230 1.00 0.00 N ATOM 0 H GLN A 123 7.326 2.460 -9.013 1.00 0.00 H new ATOM 0 HA GLN A 123 5.758 4.471 -10.246 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.335 1.545 -10.845 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.272 2.494 -11.866 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.078 4.169 -12.239 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.140 3.297 -11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 123 7.516 3.726 -14.403 1.00 0.00 H new ATOM 0 HE22 GLN A 123 8.092 2.168 -15.006 1.00 0.00 H new ATOM 698 N MET A 124 4.121 2.007 -8.782 1.00 0.00 N ATOM 699 CA MET A 124 2.804 1.618 -8.320 1.00 0.00 C ATOM 700 C MET A 124 2.247 2.672 -7.368 1.00 0.00 C ATOM 701 O MET A 124 1.073 3.031 -7.445 1.00 0.00 O ATOM 702 CB MET A 124 2.892 0.261 -7.615 1.00 0.00 C ATOM 703 CG MET A 124 1.495 -0.194 -7.204 1.00 0.00 C ATOM 704 SD MET A 124 1.608 -1.753 -6.291 1.00 0.00 S ATOM 705 CE MET A 124 1.335 -2.868 -7.689 1.00 0.00 C ATOM 0 H MET A 124 4.877 1.389 -8.488 1.00 0.00 H new ATOM 0 HA MET A 124 2.133 1.536 -9.175 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.345 -0.476 -8.278 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.534 0.337 -6.737 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.021 0.568 -6.585 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.869 -0.323 -8.087 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.365 -3.901 -7.342 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.361 -2.663 -8.133 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.114 -2.713 -8.436 1.00 0.00 H new ATOM 715 N ILE A 125 3.092 3.173 -6.473 1.00 0.00 N ATOM 716 CA ILE A 125 2.650 4.187 -5.523 1.00 0.00 C ATOM 717 C ILE A 125 2.247 5.454 -6.269 1.00 0.00 C ATOM 718 O ILE A 125 1.196 6.038 -6.009 1.00 0.00 O ATOM 719 CB ILE A 125 3.791 4.501 -4.543 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.097 3.258 -3.677 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.397 5.685 -3.648 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.115 3.139 -2.501 1.00 0.00 C ATOM 0 H ILE A 125 4.071 2.899 -6.386 1.00 0.00 H new ATOM 0 HA ILE A 125 1.789 3.812 -4.969 1.00 0.00 H new ATOM 0 HB ILE A 125 4.685 4.766 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.040 2.361 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.117 3.319 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.210 5.903 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.203 6.561 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.498 5.432 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.358 2.255 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.191 4.026 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.098 3.052 -2.884 1.00 0.00 H new ATOM 734 N LYS A 126 3.087 5.855 -7.211 1.00 0.00 N ATOM 735 CA LYS A 126 2.811 7.040 -8.011 1.00 0.00 C ATOM 736 C LYS A 126 1.578 6.831 -8.883 1.00 0.00 C ATOM 737 O LYS A 126 0.732 7.715 -9.004 1.00 0.00 O ATOM 738 CB LYS A 126 4.012 7.374 -8.883 1.00 0.00 C ATOM 739 CG LYS A 126 5.151 7.881 -7.999 1.00 0.00 C ATOM 740 CD LYS A 126 6.370 8.199 -8.868 1.00 0.00 C ATOM 741 CE LYS A 126 7.542 8.606 -7.974 1.00 0.00 C ATOM 742 NZ LYS A 126 7.224 9.891 -7.289 1.00 0.00 N ATOM 0 H LYS A 126 3.961 5.381 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 126 2.617 7.872 -7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.331 6.491 -9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.742 8.131 -9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.835 8.772 -7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 126 5.409 7.129 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.640 7.329 -9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.134 9.004 -9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.738 7.828 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.448 8.715 -8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 8.095 10.296 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.814 10.558 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.541 9.717 -6.524 1.00 0.00 H new ATOM 756 N GLU A 127 1.484 5.653 -9.486 1.00 0.00 N ATOM 757 CA GLU A 127 0.352 5.334 -10.344 1.00 0.00 C ATOM 758 C GLU A 127 -0.918 5.162 -9.527 1.00 0.00 C ATOM 759 O GLU A 127 -2.009 5.524 -9.967 1.00 0.00 O ATOM 760 CB GLU A 127 0.634 4.049 -11.109 1.00 0.00 C ATOM 761 CG GLU A 127 -0.410 3.870 -12.217 1.00 0.00 C ATOM 762 CD GLU A 127 -0.194 4.910 -13.312 1.00 0.00 C ATOM 763 OE1 GLU A 127 0.827 5.578 -13.274 1.00 0.00 O ATOM 764 OE2 GLU A 127 -1.047 5.018 -14.177 1.00 0.00 O ATOM 0 H GLU A 127 2.174 4.907 -9.397 1.00 0.00 H new ATOM 0 HA GLU A 127 0.210 6.159 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.634 4.083 -11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.608 3.197 -10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.337 2.867 -12.638 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.413 3.970 -11.802 1.00 0.00 H new ATOM 771 N ALA A 128 -0.770 4.594 -8.342 1.00 0.00 N ATOM 772 CA ALA A 128 -1.923 4.366 -7.474 1.00 0.00 C ATOM 773 C ALA A 128 -2.423 5.669 -6.865 1.00 0.00 C ATOM 774 O ALA A 128 -3.609 5.821 -6.594 1.00 0.00 O ATOM 775 CB ALA A 128 -1.569 3.388 -6.352 1.00 0.00 C ATOM 0 H ALA A 128 0.123 4.284 -7.959 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.714 3.940 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.441 3.232 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.259 2.436 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.754 3.798 -5.755 1.00 0.00 H new ATOM 781 N ASP A 129 -1.511 6.601 -6.642 1.00 0.00 N ATOM 782 CA ASP A 129 -1.880 7.877 -6.045 1.00 0.00 C ATOM 783 C ASP A 129 -2.716 8.714 -6.985 1.00 0.00 C ATOM 784 O ASP A 129 -2.219 9.252 -7.972 1.00 0.00 O ATOM 785 CB ASP A 129 -0.637 8.661 -5.674 1.00 0.00 C ATOM 786 CG ASP A 129 -1.000 9.833 -4.770 1.00 0.00 C ATOM 787 OD1 ASP A 129 -1.970 9.713 -4.034 1.00 0.00 O ATOM 788 OD2 ASP A 129 -0.305 10.835 -4.825 1.00 0.00 O ATOM 0 H ASP A 129 -0.520 6.502 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.468 7.656 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.074 8.009 -5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.147 9.027 -6.576 1.00 0.00 H new ATOM 793 N LEU A 130 -3.995 8.826 -6.670 1.00 0.00 N ATOM 794 CA LEU A 130 -4.907 9.610 -7.494 1.00 0.00 C ATOM 795 C LEU A 130 -4.928 11.078 -7.069 1.00 0.00 C ATOM 796 O LEU A 130 -5.149 11.967 -7.892 1.00 0.00 O ATOM 797 CB LEU A 130 -6.330 9.039 -7.425 1.00 0.00 C ATOM 798 CG LEU A 130 -7.251 9.770 -8.423 1.00 0.00 C ATOM 799 CD1 LEU A 130 -6.782 9.519 -9.868 1.00 0.00 C ATOM 800 CD2 LEU A 130 -8.686 9.256 -8.257 1.00 0.00 C ATOM 0 H LEU A 130 -4.426 8.388 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.543 9.551 -8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.312 7.973 -7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.722 9.144 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 130 -7.213 10.841 -8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -7.442 10.041 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -5.763 9.888 -9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -6.808 8.450 -10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -9.340 9.770 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.713 8.184 -8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.026 9.448 -7.239 1.00 0.00 H new ATOM 812 N ASP A 131 -4.727 11.326 -5.778 1.00 0.00 N ATOM 813 CA ASP A 131 -4.759 12.690 -5.263 1.00 0.00 C ATOM 814 C ASP A 131 -3.475 13.443 -5.585 1.00 0.00 C ATOM 815 O ASP A 131 -3.409 14.660 -5.413 1.00 0.00 O ATOM 816 CB ASP A 131 -4.956 12.672 -3.748 1.00 0.00 C ATOM 817 CG ASP A 131 -6.182 11.842 -3.387 1.00 0.00 C ATOM 818 OD1 ASP A 131 -7.258 12.175 -3.858 1.00 0.00 O ATOM 819 OD2 ASP A 131 -6.026 10.883 -2.647 1.00 0.00 O ATOM 0 H ASP A 131 -4.542 10.609 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.591 13.202 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.072 12.258 -3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.075 13.690 -3.377 1.00 0.00 H new ATOM 824 N GLY A 132 -2.455 12.732 -6.047 1.00 0.00 N ATOM 825 CA GLY A 132 -1.194 13.381 -6.378 1.00 0.00 C ATOM 826 C GLY A 132 -0.481 13.882 -5.125 1.00 0.00 C ATOM 827 O GLY A 132 0.234 14.880 -5.173 1.00 0.00 O ATOM 0 H GLY A 132 -2.474 11.724 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.550 12.680 -6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -1.379 14.217 -7.052 1.00 0.00 H new ATOM 831 N ASP A 133 -0.677 13.195 -3.998 1.00 0.00 N ATOM 832 CA ASP A 133 -0.030 13.598 -2.744 1.00 0.00 C ATOM 833 C ASP A 133 1.194 12.731 -2.471 1.00 0.00 C ATOM 834 O ASP A 133 2.017 13.053 -1.617 1.00 0.00 O ATOM 835 CB ASP A 133 -1.014 13.469 -1.583 1.00 0.00 C ATOM 836 CG ASP A 133 -1.579 12.058 -1.542 1.00 0.00 C ATOM 837 OD1 ASP A 133 -1.279 11.298 -2.445 1.00 0.00 O ATOM 838 OD2 ASP A 133 -2.303 11.758 -0.607 1.00 0.00 O ATOM 0 H ASP A 133 -1.270 12.368 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 133 0.286 14.637 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.513 13.698 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.822 14.191 -1.697 1.00 0.00 H new ATOM 843 N GLY A 134 1.311 11.630 -3.208 1.00 0.00 N ATOM 844 CA GLY A 134 2.442 10.722 -3.046 1.00 0.00 C ATOM 845 C GLY A 134 2.119 9.663 -2.011 1.00 0.00 C ATOM 846 O GLY A 134 2.929 8.781 -1.731 1.00 0.00 O ATOM 0 H GLY A 134 0.639 11.346 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.678 10.249 -3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.326 11.282 -2.741 1.00 0.00 H new ATOM 850 N GLN A 135 0.933 9.771 -1.424 1.00 0.00 N ATOM 851 CA GLN A 135 0.498 8.840 -0.394 1.00 0.00 C ATOM 852 C GLN A 135 -0.676 8.011 -0.885 1.00 0.00 C ATOM 853 O GLN A 135 -1.598 8.535 -1.504 1.00 0.00 O ATOM 854 CB GLN A 135 0.078 9.657 0.846 1.00 0.00 C ATOM 855 CG GLN A 135 1.195 9.650 1.886 1.00 0.00 C ATOM 856 CD GLN A 135 0.917 10.691 2.961 1.00 0.00 C ATOM 857 OE1 GLN A 135 -0.080 11.408 2.888 1.00 0.00 O ATOM 858 NE2 GLN A 135 1.745 10.818 3.961 1.00 0.00 N ATOM 0 H GLN A 135 0.253 10.498 -1.646 1.00 0.00 H new ATOM 0 HA GLN A 135 1.312 8.160 -0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -0.151 10.682 0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.831 9.237 1.276 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.275 8.662 2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.151 9.859 1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.571 10.222 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.567 11.513 4.686 1.00 0.00 H new ATOM 867 N VAL A 136 -0.656 6.721 -0.581 1.00 0.00 N ATOM 868 CA VAL A 136 -1.758 5.859 -0.981 1.00 0.00 C ATOM 869 C VAL A 136 -2.875 6.002 0.049 1.00 0.00 C ATOM 870 O VAL A 136 -2.712 5.607 1.205 1.00 0.00 O ATOM 871 CB VAL A 136 -1.285 4.402 -1.053 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.491 3.459 -1.118 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.429 4.206 -2.303 1.00 0.00 C ATOM 0 H VAL A 136 0.094 6.256 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 136 -2.123 6.147 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.699 4.176 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.144 2.427 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.105 3.592 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.083 3.686 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.092 3.171 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.019 4.440 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.437 4.867 -2.259 1.00 0.00 H new ATOM 883 N ASN A 137 -4.015 6.560 -0.366 1.00 0.00 N ATOM 884 CA ASN A 137 -5.150 6.734 0.550 1.00 0.00 C ATOM 885 C ASN A 137 -6.143 5.586 0.380 1.00 0.00 C ATOM 886 O ASN A 137 -5.994 4.752 -0.512 1.00 0.00 O ATOM 887 CB ASN A 137 -5.849 8.069 0.274 1.00 0.00 C ATOM 888 CG ASN A 137 -7.024 8.260 1.231 1.00 0.00 C ATOM 889 OD1 ASN A 137 -8.180 8.229 0.809 1.00 0.00 O ATOM 890 ND2 ASN A 137 -6.797 8.461 2.501 1.00 0.00 N ATOM 0 H ASN A 137 -4.178 6.895 -1.315 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.777 6.733 1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.140 8.889 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.203 8.096 -0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.578 8.592 3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.839 8.487 2.850 1.00 0.00 H new ATOM 897 N TYR A 138 -7.143 5.528 1.251 1.00 0.00 N ATOM 898 CA TYR A 138 -8.126 4.450 1.186 1.00 0.00 C ATOM 899 C TYR A 138 -8.675 4.291 -0.232 1.00 0.00 C ATOM 900 O TYR A 138 -8.722 3.184 -0.759 1.00 0.00 O ATOM 901 CB TYR A 138 -9.284 4.747 2.140 1.00 0.00 C ATOM 902 CG TYR A 138 -10.279 3.611 2.086 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.993 2.401 2.731 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.486 3.768 1.398 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.916 1.349 2.685 1.00 0.00 C ATOM 906 CE2 TYR A 138 -12.408 2.719 1.351 1.00 0.00 C ATOM 907 CZ TYR A 138 -12.125 1.509 1.994 1.00 0.00 C ATOM 908 OH TYR A 138 -13.038 0.472 1.949 1.00 0.00 O ATOM 0 H TYR A 138 -7.295 6.203 2.001 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.630 3.523 1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.910 4.870 3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.768 5.683 1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.061 2.280 3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.706 4.702 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.697 0.415 3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -13.339 2.842 0.818 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.940 0.823 2.105 1.00 0.00 H new ATOM 918 N GLU A 139 -9.085 5.392 -0.853 1.00 0.00 N ATOM 919 CA GLU A 139 -9.629 5.328 -2.209 1.00 0.00 C ATOM 920 C GLU A 139 -8.613 4.745 -3.181 1.00 0.00 C ATOM 921 O GLU A 139 -8.951 3.885 -3.995 1.00 0.00 O ATOM 922 CB GLU A 139 -10.047 6.728 -2.665 1.00 0.00 C ATOM 923 CG GLU A 139 -10.694 6.655 -4.050 1.00 0.00 C ATOM 924 CD GLU A 139 -11.152 8.043 -4.480 1.00 0.00 C ATOM 925 OE1 GLU A 139 -11.219 8.913 -3.627 1.00 0.00 O ATOM 926 OE2 GLU A 139 -11.425 8.218 -5.656 1.00 0.00 O ATOM 0 H GLU A 139 -9.053 6.328 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.501 4.674 -2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.747 7.159 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.178 7.385 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -9.982 6.257 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.543 5.972 -4.029 1.00 0.00 H new ATOM 933 N GLU A 140 -7.371 5.201 -3.098 1.00 0.00 N ATOM 934 CA GLU A 140 -6.344 4.688 -3.985 1.00 0.00 C ATOM 935 C GLU A 140 -6.029 3.241 -3.638 1.00 0.00 C ATOM 936 O GLU A 140 -5.855 2.409 -4.526 1.00 0.00 O ATOM 937 CB GLU A 140 -5.095 5.553 -3.889 1.00 0.00 C ATOM 938 CG GLU A 140 -5.418 6.970 -4.399 1.00 0.00 C ATOM 939 CD GLU A 140 -4.448 7.990 -3.823 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.646 7.622 -2.976 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.519 9.133 -4.245 1.00 0.00 O ATOM 0 H GLU A 140 -7.057 5.912 -2.438 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.708 4.722 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.747 5.596 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.290 5.116 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.367 6.989 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.438 7.236 -4.123 1.00 0.00 H new ATOM 948 N PHE A 141 -5.973 2.936 -2.345 1.00 0.00 N ATOM 949 CA PHE A 141 -5.692 1.571 -1.922 1.00 0.00 C ATOM 950 C PHE A 141 -6.776 0.649 -2.460 1.00 0.00 C ATOM 951 O PHE A 141 -6.485 -0.383 -3.065 1.00 0.00 O ATOM 952 CB PHE A 141 -5.648 1.492 -0.393 1.00 0.00 C ATOM 953 CG PHE A 141 -5.232 0.104 0.038 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.903 -0.309 -0.118 1.00 0.00 C ATOM 955 CD2 PHE A 141 -6.173 -0.767 0.602 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.515 -1.592 0.289 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.786 -2.049 1.008 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.457 -2.461 0.852 1.00 0.00 C ATOM 0 H PHE A 141 -6.116 3.602 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.723 1.262 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.947 2.229 -0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.627 1.733 0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.177 0.362 -0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.198 -0.449 0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.490 -1.910 0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.512 -2.720 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.158 -3.450 1.166 1.00 0.00 H new ATOM 968 N VAL A 142 -8.030 1.039 -2.254 1.00 0.00 N ATOM 969 CA VAL A 142 -9.144 0.242 -2.742 1.00 0.00 C ATOM 970 C VAL A 142 -9.059 0.134 -4.260 1.00 0.00 C ATOM 971 O VAL A 142 -9.182 -0.950 -4.824 1.00 0.00 O ATOM 972 CB VAL A 142 -10.471 0.899 -2.342 1.00 0.00 C ATOM 973 CG1 VAL A 142 -11.630 0.244 -3.102 1.00 0.00 C ATOM 974 CG2 VAL A 142 -10.694 0.732 -0.835 1.00 0.00 C ATOM 0 H VAL A 142 -8.296 1.890 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 142 -9.096 -0.754 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.431 1.959 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.568 0.717 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.478 0.367 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.669 -0.818 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.637 1.199 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.726 -0.329 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -9.877 1.207 -0.292 1.00 0.00 H new ATOM 984 N LYS A 143 -8.839 1.268 -4.910 1.00 0.00 N ATOM 985 CA LYS A 143 -8.732 1.297 -6.357 1.00 0.00 C ATOM 986 C LYS A 143 -7.558 0.434 -6.808 1.00 0.00 C ATOM 987 O LYS A 143 -7.687 -0.386 -7.718 1.00 0.00 O ATOM 988 CB LYS A 143 -8.529 2.744 -6.799 1.00 0.00 C ATOM 989 CG LYS A 143 -8.588 2.832 -8.328 1.00 0.00 C ATOM 990 CD LYS A 143 -8.490 4.297 -8.758 1.00 0.00 C ATOM 991 CE LYS A 143 -8.585 4.392 -10.283 1.00 0.00 C ATOM 992 NZ LYS A 143 -7.375 3.778 -10.898 1.00 0.00 N ATOM 0 H LYS A 143 -8.732 2.176 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.641 0.900 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.297 3.380 -6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.567 3.112 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -7.773 2.257 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -9.518 2.396 -8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -9.290 4.876 -8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.548 4.725 -8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -9.482 3.882 -10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -8.671 5.435 -10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -7.293 4.088 -11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -6.529 4.075 -10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -7.457 2.742 -10.866 1.00 0.00 H new ATOM 1006 N MET A 144 -6.420 0.609 -6.146 1.00 0.00 N ATOM 1007 CA MET A 144 -5.227 -0.175 -6.469 1.00 0.00 C ATOM 1008 C MET A 144 -5.505 -1.639 -6.209 1.00 0.00 C ATOM 1009 O MET A 144 -5.107 -2.514 -6.972 1.00 0.00 O ATOM 1010 CB MET A 144 -4.057 0.257 -5.592 1.00 0.00 C ATOM 1011 CG MET A 144 -2.747 -0.391 -6.073 1.00 0.00 C ATOM 1012 SD MET A 144 -1.362 0.277 -5.111 1.00 0.00 S ATOM 1013 CE MET A 144 -1.877 -0.335 -3.486 1.00 0.00 C ATOM 0 H MET A 144 -6.295 1.280 -5.388 1.00 0.00 H new ATOM 0 HA MET A 144 -4.976 -0.014 -7.517 1.00 0.00 H new ATOM 0 HB2 MET A 144 -3.961 1.343 -5.614 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.249 -0.025 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 144 -2.798 -1.473 -5.955 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.597 -0.192 -7.134 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.002 -0.452 -2.847 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.566 0.377 -3.031 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.374 -1.298 -3.601 1.00 0.00 H new ATOM 1023 N MET A 145 -6.202 -1.892 -5.117 1.00 0.00 N ATOM 1024 CA MET A 145 -6.539 -3.261 -4.755 1.00 0.00 C ATOM 1025 C MET A 145 -7.472 -3.861 -5.799 1.00 0.00 C ATOM 1026 O MET A 145 -7.374 -5.044 -6.124 1.00 0.00 O ATOM 1027 CB MET A 145 -7.195 -3.314 -3.369 1.00 0.00 C ATOM 1028 CG MET A 145 -7.460 -4.774 -2.972 1.00 0.00 C ATOM 1029 SD MET A 145 -5.887 -5.667 -2.828 1.00 0.00 S ATOM 1030 CE MET A 145 -5.643 -5.435 -1.051 1.00 0.00 C ATOM 0 H MET A 145 -6.543 -1.180 -4.471 1.00 0.00 H new ATOM 0 HA MET A 145 -5.619 -3.844 -4.720 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.547 -2.839 -2.632 1.00 0.00 H new ATOM 0 HB3 MET A 145 -8.131 -2.755 -3.378 1.00 0.00 H new ATOM 0 HG2 MET A 145 -7.998 -4.811 -2.025 1.00 0.00 H new ATOM 0 HG3 MET A 145 -8.094 -5.254 -3.717 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.603 -5.638 -0.797 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.889 -4.408 -0.781 1.00 0.00 H new ATOM 0 HE3 MET A 145 -6.290 -6.119 -0.502 1.00 0.00 H new ATOM 1040 N MET A 146 -8.370 -3.039 -6.332 1.00 0.00 N ATOM 1041 CA MET A 146 -9.303 -3.507 -7.349 1.00 0.00 C ATOM 1042 C MET A 146 -8.542 -3.936 -8.595 1.00 0.00 C ATOM 1043 O MET A 146 -8.880 -4.936 -9.227 1.00 0.00 O ATOM 1044 CB MET A 146 -10.304 -2.397 -7.698 1.00 0.00 C ATOM 1045 CG MET A 146 -11.384 -2.317 -6.614 1.00 0.00 C ATOM 1046 SD MET A 146 -12.417 -0.858 -6.895 1.00 0.00 S ATOM 1047 CE MET A 146 -13.559 -1.614 -8.076 1.00 0.00 C ATOM 0 H MET A 146 -8.471 -2.056 -6.080 1.00 0.00 H new ATOM 0 HA MET A 146 -9.852 -4.364 -6.958 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.787 -1.441 -7.782 1.00 0.00 H new ATOM 0 HB3 MET A 146 -10.761 -2.598 -8.667 1.00 0.00 H new ATOM 0 HG2 MET A 146 -11.997 -3.218 -6.630 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.921 -2.264 -5.628 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.298 -0.877 -8.390 1.00 0.00 H new ATOM 0 HE2 MET A 146 -13.004 -1.964 -8.946 1.00 0.00 H new ATOM 0 HE3 MET A 146 -14.064 -2.457 -7.605 1.00 0.00 H new ATOM 1057 N THR A 147 -7.513 -3.170 -8.948 1.00 0.00 N ATOM 1058 CA THR A 147 -6.711 -3.484 -10.125 1.00 0.00 C ATOM 1059 C THR A 147 -6.306 -4.953 -10.119 1.00 0.00 C ATOM 1060 O THR A 147 -5.909 -5.502 -11.146 1.00 0.00 O ATOM 1061 CB THR A 147 -5.457 -2.602 -10.155 1.00 0.00 C ATOM 1062 OG1 THR A 147 -5.834 -1.239 -10.012 1.00 0.00 O ATOM 1063 CG2 THR A 147 -4.715 -2.791 -11.481 1.00 0.00 C ATOM 0 H THR A 147 -7.218 -2.336 -8.441 1.00 0.00 H new ATOM 0 HA THR A 147 -7.311 -3.289 -11.014 1.00 0.00 H new ATOM 0 HB THR A 147 -4.799 -2.888 -9.335 1.00 0.00 H new ATOM 0 HG1 THR A 147 -5.033 -0.675 -10.029 1.00 0.00 H new ATOM 0 HG21 THR A 147 -3.826 -2.161 -11.493 1.00 0.00 H new ATOM 0 HG22 THR A 147 -4.421 -3.835 -11.588 1.00 0.00 H new ATOM 0 HG23 THR A 147 -5.369 -2.512 -12.307 1.00 0.00 H new ATOM 1071 N VAL A 148 -6.412 -5.587 -8.955 1.00 0.00 N ATOM 1072 CA VAL A 148 -6.057 -6.995 -8.827 1.00 0.00 C ATOM 1073 C VAL A 148 -7.218 -7.883 -9.272 1.00 0.00 C ATOM 1074 O VAL A 148 -7.093 -9.105 -9.326 1.00 0.00 O ATOM 1075 CB VAL A 148 -5.679 -7.305 -7.373 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -5.080 -8.710 -7.275 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -4.646 -6.282 -6.894 1.00 0.00 C ATOM 0 H VAL A 148 -6.739 -5.151 -8.093 1.00 0.00 H new ATOM 0 HA VAL A 148 -5.201 -7.201 -9.470 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.572 -7.253 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.815 -8.921 -6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -5.811 -9.442 -7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -4.187 -8.769 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -4.373 -6.497 -5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.758 -6.340 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -5.070 -5.280 -6.956 1.00 0.00 H new ATOM 1087 N ARG A 149 -8.348 -7.265 -9.604 1.00 0.00 N ATOM 1088 CA ARG A 149 -9.520 -8.021 -10.054 1.00 0.00 C ATOM 1089 C ARG A 149 -9.609 -8.008 -11.577 1.00 0.00 C ATOM 1090 O ARG A 149 -9.736 -9.076 -12.150 1.00 0.00 O ATOM 1091 CB ARG A 149 -10.794 -7.417 -9.458 1.00 0.00 C ATOM 1092 CG ARG A 149 -10.820 -7.667 -7.947 1.00 0.00 C ATOM 1093 CD ARG A 149 -12.060 -7.009 -7.342 1.00 0.00 C ATOM 1094 NE ARG A 149 -12.086 -7.212 -5.897 1.00 0.00 N ATOM 1095 CZ ARG A 149 -13.011 -6.631 -5.144 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -13.909 -5.867 -5.701 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -13.022 -6.822 -3.853 1.00 0.00 N ATOM 1098 OXT ARG A 149 -9.543 -6.931 -12.146 1.00 0.00 O ATOM 0 H ARG A 149 -8.480 -6.254 -9.572 1.00 0.00 H new ATOM 0 HA ARG A 149 -9.418 -9.052 -9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -10.831 -6.347 -9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -11.673 -7.861 -9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -10.829 -8.738 -7.745 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -9.919 -7.263 -7.485 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -12.060 -5.942 -7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -12.959 -7.430 -7.792 1.00 0.00 H new ATOM 0 HE ARG A 149 -11.383 -7.809 -5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -13.898 -5.719 -6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -14.623 -5.417 -5.128 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -12.318 -7.420 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -13.735 -6.374 -3.277 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 1.496 5.285 7.738 1.00 0.00 CA HETATM 1114 CA CA A 234 -3.971 10.058 -1.538 1.00 0.00 CA