USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 218 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 26 GLN : amide:sc= 1.02 K(o=2.2,f=-1.6) USER MOD Set 1.2: A 37 TYR OH : rot -61:sc= 1.22 USER MOD Single : A 1 PHE N :NH3+ 151:sc= 0.0943 (180deg=0.0242) USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0227) USER MOD Single : A 11 SER OG : rot 180:sc= 0.858 USER MOD Single : A 12 SER OG : rot 180:sc= 0.134 USER MOD Single : A 16 THR OG1 : rot 55:sc= 1.31 USER MOD Single : A 19 LYS NZ :NH3+ -171:sc=-0.00208 (180deg=-0.105) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= 0.952 (180deg=0.751) USER MOD Single : A 22 THR OG1 : rot 28:sc= 0.526 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 1.27 K(o=1.3,f=-8.5!) USER MOD Single : A 31 ASN : amide:sc=-0.00888 K(o=-0.0089,f=-1.3) USER MOD Single : A 32 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.49) USER MOD Single : A 33 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 0.237 -1.851 11.256 1.00 0.00 N ATOM 2 CA PHE A 1 0.118 -2.884 10.243 1.00 0.00 C ATOM 3 C PHE A 1 1.143 -2.585 9.136 1.00 0.00 C ATOM 4 O PHE A 1 2.229 -2.100 9.441 1.00 0.00 O ATOM 5 CB PHE A 1 -1.341 -2.969 9.761 1.00 0.00 C ATOM 6 CG PHE A 1 -2.345 -3.428 10.805 1.00 0.00 C ATOM 7 CD1 PHE A 1 -2.242 -4.721 11.351 1.00 0.00 C ATOM 8 CD2 PHE A 1 -3.448 -2.617 11.136 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.216 -5.188 12.249 1.00 0.00 C ATOM 10 CE2 PHE A 1 -4.430 -3.093 12.022 1.00 0.00 C ATOM 11 CZ PHE A 1 -4.313 -4.376 12.583 1.00 0.00 C ATOM 0 H1 PHE A 1 -0.682 -1.716 11.724 1.00 0.00 H new ATOM 0 H2 PHE A 1 0.946 -2.137 11.962 1.00 0.00 H new ATOM 0 H3 PHE A 1 0.533 -0.959 10.810 1.00 0.00 H new ATOM 0 HA PHE A 1 0.351 -3.875 10.633 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -1.644 -1.987 9.397 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.387 -3.652 8.912 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -1.412 -5.356 11.079 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -3.539 -1.629 10.709 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -3.122 -6.172 12.683 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -5.277 -2.471 12.272 1.00 0.00 H new ATOM 0 HZ PHE A 1 -5.065 -4.737 13.269 1.00 0.00 H new ATOM 20 N GLY A 2 0.819 -2.853 7.870 1.00 0.00 N ATOM 21 CA GLY A 2 1.660 -2.553 6.731 1.00 0.00 C ATOM 22 C GLY A 2 1.995 -1.074 6.689 1.00 0.00 C ATOM 23 O GLY A 2 1.073 -0.263 6.629 1.00 0.00 O ATOM 0 H GLY A 2 -0.062 -3.297 7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.578 -3.138 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.152 -2.843 5.811 1.00 0.00 H new ATOM 27 N LEU A 3 3.282 -0.720 6.657 1.00 0.00 N ATOM 28 CA LEU A 3 3.724 0.578 6.194 1.00 0.00 C ATOM 29 C LEU A 3 4.975 0.409 5.356 1.00 0.00 C ATOM 30 O LEU A 3 5.866 -0.353 5.729 1.00 0.00 O ATOM 31 CB LEU A 3 3.863 1.603 7.332 1.00 0.00 C ATOM 32 CG LEU A 3 5.007 1.341 8.322 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.356 2.636 9.070 1.00 0.00 C ATOM 34 CD2 LEU A 3 4.659 0.262 9.357 1.00 0.00 C ATOM 0 H LEU A 3 4.041 -1.333 6.954 1.00 0.00 H new ATOM 0 HA LEU A 3 2.954 1.009 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.005 2.590 6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.925 1.633 7.887 1.00 0.00 H new ATOM 0 HG LEU A 3 5.854 0.987 7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.168 2.444 9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.667 3.397 8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.481 2.988 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.504 0.118 10.031 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.787 0.576 9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.439 -0.675 8.846 1.00 0.00 H new ATOM 45 N ILE A 4 4.978 1.024 4.173 1.00 0.00 N ATOM 46 CA ILE A 4 5.904 0.711 3.122 1.00 0.00 C ATOM 47 C ILE A 4 6.335 2.040 2.503 1.00 0.00 C ATOM 48 O ILE A 4 5.650 3.048 2.700 1.00 0.00 O ATOM 49 CB ILE A 4 5.144 -0.209 2.144 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.293 0.537 1.111 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.218 -1.210 2.874 1.00 0.00 C ATOM 52 CD1 ILE A 4 4.579 0.015 -0.283 1.00 0.00 C ATOM 0 H ILE A 4 4.320 1.764 3.929 1.00 0.00 H new ATOM 0 HA ILE A 4 6.807 0.193 3.446 1.00 0.00 H new ATOM 0 HB ILE A 4 5.943 -0.736 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.235 0.413 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.506 1.605 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.707 -1.834 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.813 -1.840 3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.481 -0.662 3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.967 0.554 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.633 0.163 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.343 -1.048 -0.329 1.00 0.00 H new ATOM 63 N ASP A 5 7.398 2.034 1.699 1.00 0.00 N ATOM 64 CA ASP A 5 7.721 3.156 0.830 1.00 0.00 C ATOM 65 C ASP A 5 7.901 2.648 -0.589 1.00 0.00 C ATOM 66 O ASP A 5 9.011 2.398 -1.057 1.00 0.00 O ATOM 67 CB ASP A 5 8.925 3.943 1.337 1.00 0.00 C ATOM 68 CG ASP A 5 9.266 5.119 0.423 1.00 0.00 C ATOM 69 OD1 ASP A 5 8.402 5.477 -0.410 1.00 0.00 O ATOM 70 OD2 ASP A 5 10.377 5.660 0.595 1.00 0.00 O ATOM 0 H ASP A 5 8.053 1.255 1.635 1.00 0.00 H new ATOM 0 HA ASP A 5 6.894 3.866 0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.720 4.312 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.787 3.280 1.411 1.00 0.00 H new ATOM 74 N VAL A 6 6.762 2.480 -1.250 1.00 0.00 N ATOM 75 CA VAL A 6 6.691 2.491 -2.700 1.00 0.00 C ATOM 76 C VAL A 6 5.709 3.600 -3.070 1.00 0.00 C ATOM 77 O VAL A 6 4.648 3.730 -2.458 1.00 0.00 O ATOM 78 CB VAL A 6 6.308 1.116 -3.272 1.00 0.00 C ATOM 79 CG1 VAL A 6 6.166 1.178 -4.799 1.00 0.00 C ATOM 80 CG2 VAL A 6 7.389 0.080 -2.931 1.00 0.00 C ATOM 0 H VAL A 6 5.863 2.332 -0.792 1.00 0.00 H new ATOM 0 HA VAL A 6 7.666 2.694 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 6 5.355 0.828 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.895 0.193 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.389 1.896 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.113 1.489 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.106 -0.889 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.341 0.392 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.488 0.001 -1.848 1.00 0.00 H new ATOM 90 N LYS A 7 6.104 4.417 -4.044 1.00 0.00 N ATOM 91 CA LYS A 7 5.384 5.602 -4.464 1.00 0.00 C ATOM 92 C LYS A 7 4.001 5.253 -5.002 1.00 0.00 C ATOM 93 O LYS A 7 3.879 4.704 -6.093 1.00 0.00 O ATOM 94 CB LYS A 7 6.242 6.390 -5.462 1.00 0.00 C ATOM 95 CG LYS A 7 7.499 6.956 -4.767 1.00 0.00 C ATOM 96 CD LYS A 7 8.819 6.434 -5.361 1.00 0.00 C ATOM 97 CE LYS A 7 9.059 6.816 -6.832 1.00 0.00 C ATOM 98 NZ LYS A 7 9.021 8.275 -7.052 1.00 0.00 N ATOM 0 H LYS A 7 6.961 4.262 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 7 5.204 6.245 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.537 5.742 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.657 7.205 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.484 8.044 -4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.462 6.704 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.646 6.814 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.836 5.348 -5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.027 6.429 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.303 6.338 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.238 8.482 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.073 8.636 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.725 8.737 -6.441 1.00 0.00 H new ATOM 108 N CYS A 8 2.956 5.591 -4.238 1.00 0.00 N ATOM 109 CA CYS A 8 1.593 5.363 -4.704 1.00 0.00 C ATOM 110 C CYS A 8 1.304 6.190 -5.941 1.00 0.00 C ATOM 111 O CYS A 8 1.488 7.406 -5.931 1.00 0.00 O ATOM 112 CB CYS A 8 0.533 5.625 -3.657 1.00 0.00 C ATOM 113 SG CYS A 8 0.004 7.314 -3.250 1.00 0.00 S ATOM 0 H CYS A 8 3.029 6.015 -3.313 1.00 0.00 H new ATOM 0 HA CYS A 8 1.541 4.300 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.359 5.078 -3.964 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.883 5.170 -2.730 1.00 0.00 H new ATOM 117 N PHE A 9 0.810 5.512 -6.975 1.00 0.00 N ATOM 118 CA PHE A 9 -0.024 6.139 -7.982 1.00 0.00 C ATOM 119 C PHE A 9 -1.391 6.433 -7.353 1.00 0.00 C ATOM 120 O PHE A 9 -1.991 7.472 -7.614 1.00 0.00 O ATOM 121 CB PHE A 9 -0.140 5.208 -9.192 1.00 0.00 C ATOM 122 CG PHE A 9 -0.864 5.823 -10.372 1.00 0.00 C ATOM 123 CD1 PHE A 9 -0.218 6.803 -11.150 1.00 0.00 C ATOM 124 CD2 PHE A 9 -2.182 5.439 -10.684 1.00 0.00 C ATOM 125 CE1 PHE A 9 -0.882 7.387 -12.240 1.00 0.00 C ATOM 126 CE2 PHE A 9 -2.842 6.021 -11.778 1.00 0.00 C ATOM 127 CZ PHE A 9 -2.192 6.993 -12.560 1.00 0.00 C ATOM 0 H PHE A 9 0.979 4.518 -7.132 1.00 0.00 H new ATOM 0 HA PHE A 9 0.409 7.077 -8.329 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.860 4.911 -9.507 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.662 4.300 -8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.790 7.106 -10.908 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.685 4.697 -10.082 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.385 8.140 -12.833 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.851 5.722 -12.020 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.699 7.435 -13.405 1.00 0.00 H new ATOM 136 N ALA A 10 -1.875 5.515 -6.506 1.00 0.00 N ATOM 137 CA ALA A 10 -3.153 5.614 -5.822 1.00 0.00 C ATOM 138 C ALA A 10 -3.215 4.522 -4.757 1.00 0.00 C ATOM 139 O ALA A 10 -2.495 3.526 -4.849 1.00 0.00 O ATOM 140 CB ALA A 10 -4.303 5.435 -6.821 1.00 0.00 C ATOM 0 H ALA A 10 -1.366 4.661 -6.277 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.250 6.596 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.256 5.511 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.246 6.211 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.226 4.455 -7.293 1.00 0.00 H new ATOM 146 N SER A 11 -4.104 4.692 -3.772 1.00 0.00 N ATOM 147 CA SER A 11 -4.401 3.695 -2.749 1.00 0.00 C ATOM 148 C SER A 11 -4.620 2.307 -3.338 1.00 0.00 C ATOM 149 O SER A 11 -4.186 1.311 -2.770 1.00 0.00 O ATOM 150 CB SER A 11 -5.660 4.116 -1.985 1.00 0.00 C ATOM 151 OG SER A 11 -5.354 5.176 -1.098 1.00 0.00 O ATOM 0 H SER A 11 -4.647 5.549 -3.666 1.00 0.00 H new ATOM 0 HA SER A 11 -3.540 3.642 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.434 4.429 -2.686 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.059 3.268 -1.428 1.00 0.00 H new ATOM 0 HG SER A 11 -6.164 5.442 -0.614 1.00 0.00 H new ATOM 156 N SER A 12 -5.315 2.238 -4.472 1.00 0.00 N ATOM 157 CA SER A 12 -5.636 0.987 -5.114 1.00 0.00 C ATOM 158 C SER A 12 -4.382 0.211 -5.523 1.00 0.00 C ATOM 159 O SER A 12 -4.446 -1.009 -5.637 1.00 0.00 O ATOM 160 CB SER A 12 -6.564 1.277 -6.297 1.00 0.00 C ATOM 161 OG SER A 12 -6.262 2.560 -6.827 1.00 0.00 O ATOM 0 H SER A 12 -5.668 3.058 -4.965 1.00 0.00 H new ATOM 0 HA SER A 12 -6.153 0.336 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.440 0.515 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.605 1.239 -5.975 1.00 0.00 H new ATOM 0 HG SER A 12 -6.853 2.748 -7.586 1.00 0.00 H new ATOM 166 N GLU A 13 -3.238 0.874 -5.715 1.00 0.00 N ATOM 167 CA GLU A 13 -2.012 0.145 -5.984 1.00 0.00 C ATOM 168 C GLU A 13 -1.571 -0.595 -4.731 1.00 0.00 C ATOM 169 O GLU A 13 -1.262 -1.772 -4.804 1.00 0.00 O ATOM 170 CB GLU A 13 -0.882 1.081 -6.366 1.00 0.00 C ATOM 171 CG GLU A 13 0.134 0.386 -7.303 1.00 0.00 C ATOM 172 CD GLU A 13 0.815 -0.858 -6.722 1.00 0.00 C ATOM 173 OE1 GLU A 13 1.638 -0.664 -5.809 1.00 0.00 O ATOM 174 OE2 GLU A 13 0.534 -1.987 -7.202 1.00 0.00 O ATOM 0 H GLU A 13 -3.142 1.889 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.219 -0.541 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.289 1.964 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.373 1.425 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.379 0.103 -8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.904 1.107 -7.576 1.00 0.00 H new ATOM 179 N CYS A 14 -1.544 0.088 -3.575 1.00 0.00 N ATOM 180 CA CYS A 14 -1.142 -0.438 -2.285 1.00 0.00 C ATOM 181 C CYS A 14 -1.818 -1.763 -2.017 1.00 0.00 C ATOM 182 O CYS A 14 -1.319 -2.591 -1.263 1.00 0.00 O ATOM 183 CB CYS A 14 -1.628 0.466 -1.161 1.00 0.00 C ATOM 184 SG CYS A 14 -1.354 2.210 -1.274 1.00 0.00 S ATOM 0 H CYS A 14 -1.818 1.069 -3.525 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.056 -0.521 -2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.701 0.309 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.163 0.120 -0.238 1.00 0.00 H new ATOM 188 N TRP A 15 -2.996 -1.915 -2.613 1.00 0.00 N ATOM 189 CA TRP A 15 -3.743 -3.148 -2.497 1.00 0.00 C ATOM 190 C TRP A 15 -2.928 -4.240 -3.178 1.00 0.00 C ATOM 191 O TRP A 15 -2.417 -5.148 -2.526 1.00 0.00 O ATOM 192 CB TRP A 15 -5.136 -3.002 -3.105 1.00 0.00 C ATOM 193 CG TRP A 15 -6.056 -1.997 -2.497 1.00 0.00 C ATOM 194 CD1 TRP A 15 -5.759 -1.148 -1.491 1.00 0.00 C ATOM 195 CD2 TRP A 15 -7.435 -1.709 -2.862 1.00 0.00 C ATOM 196 NE1 TRP A 15 -6.855 -0.364 -1.211 1.00 0.00 N ATOM 197 CE2 TRP A 15 -7.923 -0.663 -2.030 1.00 0.00 C ATOM 198 CE3 TRP A 15 -8.322 -2.235 -3.823 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -9.227 -0.164 -2.138 1.00 0.00 C ATOM 200 CZ3 TRP A 15 -9.629 -1.730 -3.955 1.00 0.00 C ATOM 201 CH2 TRP A 15 -10.085 -0.702 -3.111 1.00 0.00 C ATOM 0 H TRP A 15 -3.448 -1.197 -3.179 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.900 -3.410 -1.451 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -5.017 -2.753 -4.160 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -5.625 -3.975 -3.060 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.807 -1.092 -0.983 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.875 0.352 -0.485 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -7.994 -3.037 -4.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.568 0.623 -1.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -10.286 -2.135 -4.710 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -11.093 -0.327 -3.211 1.00 0.00 H new ATOM 211 N THR A 16 -2.764 -4.126 -4.495 1.00 0.00 N ATOM 212 CA THR A 16 -1.884 -4.986 -5.255 1.00 0.00 C ATOM 213 C THR A 16 -0.480 -5.040 -4.637 1.00 0.00 C ATOM 214 O THR A 16 0.137 -6.093 -4.709 1.00 0.00 O ATOM 215 CB THR A 16 -1.894 -4.547 -6.729 1.00 0.00 C ATOM 216 OG1 THR A 16 -2.148 -3.166 -6.850 1.00 0.00 O ATOM 217 CG2 THR A 16 -3.000 -5.277 -7.494 1.00 0.00 C ATOM 0 H THR A 16 -3.245 -3.427 -5.060 1.00 0.00 H new ATOM 0 HA THR A 16 -2.248 -6.013 -5.218 1.00 0.00 H new ATOM 0 HB THR A 16 -0.912 -4.785 -7.137 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.494 -2.665 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.995 -4.956 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.828 -6.352 -7.445 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.966 -5.044 -7.047 1.00 0.00 H new ATOM 225 N ALA A 17 0.034 -3.980 -3.995 1.00 0.00 N ATOM 226 CA ALA A 17 1.331 -4.028 -3.335 1.00 0.00 C ATOM 227 C ALA A 17 1.338 -5.046 -2.207 1.00 0.00 C ATOM 228 O ALA A 17 2.069 -6.032 -2.276 1.00 0.00 O ATOM 229 CB ALA A 17 1.775 -2.647 -2.854 1.00 0.00 C ATOM 0 H ALA A 17 -0.438 -3.079 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 17 2.061 -4.355 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.747 -2.726 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.850 -1.972 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.045 -2.257 -2.145 1.00 0.00 H new ATOM 235 N CYS A 18 0.515 -4.832 -1.173 1.00 0.00 N ATOM 236 CA CYS A 18 0.479 -5.736 -0.036 1.00 0.00 C ATOM 237 C CYS A 18 0.148 -7.159 -0.483 1.00 0.00 C ATOM 238 O CYS A 18 0.600 -8.148 0.101 1.00 0.00 O ATOM 239 CB CYS A 18 -0.429 -5.249 1.102 1.00 0.00 C ATOM 240 SG CYS A 18 0.605 -4.742 2.508 1.00 0.00 S ATOM 0 H CYS A 18 -0.128 -4.043 -1.108 1.00 0.00 H new ATOM 0 HA CYS A 18 1.482 -5.746 0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.041 -4.413 0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.113 -6.042 1.404 1.00 0.00 H new ATOM 244 N LYS A 19 -0.637 -7.265 -1.556 1.00 0.00 N ATOM 245 CA LYS A 19 -0.927 -8.535 -2.168 1.00 0.00 C ATOM 246 C LYS A 19 0.302 -9.189 -2.807 1.00 0.00 C ATOM 247 O LYS A 19 0.568 -10.359 -2.553 1.00 0.00 O ATOM 248 CB LYS A 19 -2.084 -8.331 -3.122 1.00 0.00 C ATOM 249 CG LYS A 19 -3.325 -8.162 -2.276 1.00 0.00 C ATOM 250 CD LYS A 19 -4.462 -9.148 -2.568 1.00 0.00 C ATOM 251 CE LYS A 19 -5.123 -8.952 -3.940 1.00 0.00 C ATOM 252 NZ LYS A 19 -5.725 -7.609 -4.094 1.00 0.00 N ATOM 0 H LYS A 19 -1.081 -6.469 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.220 -9.258 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.920 -7.453 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.187 -9.184 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.044 -8.258 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.702 -7.149 -2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.073 -10.164 -2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.222 -9.050 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.380 -9.105 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.894 -9.710 -4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.286 -7.578 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.341 -7.409 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.971 -6.894 -4.141 1.00 0.00 H new ATOM 262 N LYS A 20 1.041 -8.433 -3.620 1.00 0.00 N ATOM 263 CA LYS A 20 2.273 -8.882 -4.268 1.00 0.00 C ATOM 264 C LYS A 20 3.230 -9.469 -3.223 1.00 0.00 C ATOM 265 O LYS A 20 3.703 -10.590 -3.388 1.00 0.00 O ATOM 266 CB LYS A 20 2.954 -7.746 -5.057 1.00 0.00 C ATOM 267 CG LYS A 20 2.277 -7.388 -6.397 1.00 0.00 C ATOM 268 CD LYS A 20 2.620 -5.933 -6.782 1.00 0.00 C ATOM 269 CE LYS A 20 1.892 -5.427 -8.039 1.00 0.00 C ATOM 270 NZ LYS A 20 1.922 -3.946 -8.169 1.00 0.00 N ATOM 0 H LYS A 20 0.794 -7.471 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 20 2.011 -9.658 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.981 -6.854 -4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.988 -8.029 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.613 -8.070 -7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.197 -7.507 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.374 -5.280 -5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.695 -5.855 -6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.349 -5.873 -8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.856 -5.763 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.667 -3.678 -9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.242 -3.525 -7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.878 -3.598 -7.953 1.00 0.00 H new ATOM 280 N VAL A 21 3.531 -8.719 -2.153 1.00 0.00 N ATOM 281 CA VAL A 21 4.418 -9.210 -1.111 1.00 0.00 C ATOM 282 C VAL A 21 3.865 -10.440 -0.389 1.00 0.00 C ATOM 283 O VAL A 21 4.643 -11.303 0.013 1.00 0.00 O ATOM 284 CB VAL A 21 4.762 -8.126 -0.072 1.00 0.00 C ATOM 285 CG1 VAL A 21 6.239 -7.752 -0.190 1.00 0.00 C ATOM 286 CG2 VAL A 21 3.963 -6.834 -0.160 1.00 0.00 C ATOM 0 H VAL A 21 3.172 -7.778 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 21 5.329 -9.499 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 21 4.505 -8.586 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.480 -6.985 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.853 -8.634 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.439 -7.370 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.293 -6.148 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.120 -6.375 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.903 -7.052 -0.027 1.00 0.00 H new ATOM 296 N THR A 22 2.563 -10.480 -0.087 1.00 0.00 N ATOM 297 CA THR A 22 2.073 -11.451 0.867 1.00 0.00 C ATOM 298 C THR A 22 0.618 -11.833 0.591 1.00 0.00 C ATOM 299 O THR A 22 0.301 -13.021 0.566 1.00 0.00 O ATOM 300 CB THR A 22 2.358 -10.852 2.252 1.00 0.00 C ATOM 301 OG1 THR A 22 3.612 -11.326 2.701 1.00 0.00 O ATOM 302 CG2 THR A 22 1.261 -11.126 3.266 1.00 0.00 C ATOM 0 H THR A 22 1.854 -9.864 -0.483 1.00 0.00 H new ATOM 0 HA THR A 22 2.579 -12.413 0.793 1.00 0.00 H new ATOM 0 HB THR A 22 2.383 -9.767 2.152 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.180 -11.530 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.528 -10.674 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.323 -10.698 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.144 -12.202 3.393 1.00 0.00 H new ATOM 310 N GLY A 23 -0.274 -10.855 0.405 1.00 0.00 N ATOM 311 CA GLY A 23 -1.689 -11.165 0.178 1.00 0.00 C ATOM 312 C GLY A 23 -2.658 -10.158 0.800 1.00 0.00 C ATOM 313 O GLY A 23 -3.840 -10.151 0.459 1.00 0.00 O ATOM 0 H GLY A 23 -0.048 -9.860 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.871 -11.213 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.902 -12.155 0.582 1.00 0.00 H new ATOM 317 N SER A 24 -2.178 -9.313 1.714 1.00 0.00 N ATOM 318 CA SER A 24 -3.012 -8.540 2.632 1.00 0.00 C ATOM 319 C SER A 24 -3.601 -7.302 1.954 1.00 0.00 C ATOM 320 O SER A 24 -3.366 -6.178 2.385 1.00 0.00 O ATOM 321 CB SER A 24 -2.155 -8.164 3.848 1.00 0.00 C ATOM 322 OG SER A 24 -1.478 -9.314 4.315 1.00 0.00 O ATOM 0 H SER A 24 -1.180 -9.145 1.838 1.00 0.00 H new ATOM 0 HA SER A 24 -3.863 -9.141 2.951 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.437 -7.390 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.784 -7.752 4.637 1.00 0.00 H new ATOM 0 HG SER A 24 -0.928 -9.077 5.091 1.00 0.00 H new ATOM 327 N GLY A 25 -4.368 -7.497 0.884 1.00 0.00 N ATOM 328 CA GLY A 25 -4.608 -6.479 -0.131 1.00 0.00 C ATOM 329 C GLY A 25 -5.491 -5.298 0.286 1.00 0.00 C ATOM 330 O GLY A 25 -5.967 -4.579 -0.588 1.00 0.00 O ATOM 0 H GLY A 25 -4.846 -8.379 0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.644 -6.087 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.066 -6.960 -0.996 1.00 0.00 H new ATOM 334 N GLN A 26 -5.784 -5.130 1.574 1.00 0.00 N ATOM 335 CA GLN A 26 -6.719 -4.155 2.099 1.00 0.00 C ATOM 336 C GLN A 26 -5.891 -3.036 2.733 1.00 0.00 C ATOM 337 O GLN A 26 -5.251 -3.257 3.763 1.00 0.00 O ATOM 338 CB GLN A 26 -7.629 -4.853 3.116 1.00 0.00 C ATOM 339 CG GLN A 26 -8.194 -6.162 2.546 1.00 0.00 C ATOM 340 CD GLN A 26 -9.078 -6.906 3.539 1.00 0.00 C ATOM 341 OE1 GLN A 26 -8.790 -8.046 3.894 1.00 0.00 O ATOM 342 NE2 GLN A 26 -10.158 -6.282 3.999 1.00 0.00 N ATOM 0 H GLN A 26 -5.355 -5.697 2.305 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.358 -3.727 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.068 -5.062 4.027 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.448 -4.189 3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.770 -5.943 1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.369 -6.808 2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.372 -5.335 3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.773 -6.750 4.665 1.00 0.00 H new ATOM 349 N GLY A 27 -5.851 -1.863 2.094 1.00 0.00 N ATOM 350 CA GLY A 27 -4.909 -0.822 2.467 1.00 0.00 C ATOM 351 C GLY A 27 -5.254 0.514 1.826 1.00 0.00 C ATOM 352 O GLY A 27 -6.323 0.658 1.233 1.00 0.00 O ATOM 0 H GLY A 27 -6.464 -1.617 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.900 -0.712 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.904 -1.119 2.168 1.00 0.00 H new ATOM 356 N LYS A 28 -4.352 1.491 1.937 1.00 0.00 N ATOM 357 CA LYS A 28 -4.486 2.820 1.355 1.00 0.00 C ATOM 358 C LYS A 28 -3.100 3.414 1.178 1.00 0.00 C ATOM 359 O LYS A 28 -2.163 3.029 1.883 1.00 0.00 O ATOM 360 CB LYS A 28 -5.338 3.744 2.250 1.00 0.00 C ATOM 361 CG LYS A 28 -6.841 3.678 1.951 1.00 0.00 C ATOM 362 CD LYS A 28 -7.607 4.671 2.832 1.00 0.00 C ATOM 363 CE LYS A 28 -9.090 4.700 2.430 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.894 5.567 3.317 1.00 0.00 N ATOM 0 H LYS A 28 -3.480 1.371 2.453 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.991 2.733 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.172 3.478 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.997 4.772 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.019 3.903 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.209 2.667 2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.512 4.387 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.175 5.667 2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.179 5.053 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.491 3.687 2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.887 5.555 3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.832 5.217 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.530 6.540 3.274 1.00 0.00 H new ATOM 374 N CYS A 29 -2.979 4.344 0.228 1.00 0.00 N ATOM 375 CA CYS A 29 -1.743 5.058 -0.012 1.00 0.00 C ATOM 376 C CYS A 29 -1.756 6.324 0.826 1.00 0.00 C ATOM 377 O CYS A 29 -2.815 6.787 1.252 1.00 0.00 O ATOM 378 CB CYS A 29 -1.476 5.390 -1.484 1.00 0.00 C ATOM 379 SG CYS A 29 -1.769 7.030 -2.165 1.00 0.00 S ATOM 0 H CYS A 29 -3.742 4.617 -0.392 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.926 4.397 0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.429 5.154 -1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.071 4.694 -2.075 1.00 0.00 H new ATOM 383 N GLN A 30 -0.576 6.884 1.055 1.00 0.00 N ATOM 384 CA GLN A 30 -0.397 8.129 1.764 1.00 0.00 C ATOM 385 C GLN A 30 0.706 8.873 1.041 1.00 0.00 C ATOM 386 O GLN A 30 1.819 8.365 0.961 1.00 0.00 O ATOM 387 CB GLN A 30 0.031 7.817 3.199 1.00 0.00 C ATOM 388 CG GLN A 30 -0.062 9.045 4.109 1.00 0.00 C ATOM 389 CD GLN A 30 0.350 8.717 5.539 1.00 0.00 C ATOM 390 OE1 GLN A 30 0.781 7.603 5.840 1.00 0.00 O ATOM 391 NE2 GLN A 30 0.227 9.683 6.444 1.00 0.00 N ATOM 0 H GLN A 30 0.301 6.469 0.742 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.310 8.723 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.598 7.022 3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.055 7.444 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.577 9.837 3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.083 9.427 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.133 10.597 6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.492 9.510 7.414 1.00 0.00 H new ATOM 398 N ASN A 31 0.431 10.073 0.538 1.00 0.00 N ATOM 399 CA ASN A 31 1.471 10.958 0.041 1.00 0.00 C ATOM 400 C ASN A 31 2.051 10.406 -1.272 1.00 0.00 C ATOM 401 O ASN A 31 1.555 10.737 -2.345 1.00 0.00 O ATOM 402 CB ASN A 31 2.495 11.209 1.175 1.00 0.00 C ATOM 403 CG ASN A 31 3.233 12.529 0.985 1.00 0.00 C ATOM 404 OD1 ASN A 31 3.354 13.026 -0.129 1.00 0.00 O ATOM 405 ND2 ASN A 31 3.739 13.106 2.070 1.00 0.00 N ATOM 0 H ASN A 31 -0.512 10.454 0.465 1.00 0.00 H new ATOM 0 HA ASN A 31 1.078 11.939 -0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.980 11.215 2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.214 10.391 1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.245 13.988 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.621 12.667 2.983 1.00 0.00 H new ATOM 411 N ASN A 32 3.026 9.498 -1.171 1.00 0.00 N ATOM 412 CA ASN A 32 3.517 8.555 -2.174 1.00 0.00 C ATOM 413 C ASN A 32 4.290 7.505 -1.377 1.00 0.00 C ATOM 414 O ASN A 32 5.487 7.303 -1.571 1.00 0.00 O ATOM 415 CB ASN A 32 4.428 9.188 -3.237 1.00 0.00 C ATOM 416 CG ASN A 32 3.796 10.219 -4.114 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.204 11.377 -4.158 1.00 0.00 O ATOM 418 ND2 ASN A 32 2.737 9.823 -4.761 1.00 0.00 N ATOM 0 H ASN A 32 3.541 9.397 -0.296 1.00 0.00 H new ATOM 0 HA ASN A 32 2.679 8.149 -2.741 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.280 9.643 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.820 8.392 -3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.211 10.485 -5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.433 8.851 -4.696 1.00 0.00 H new ATOM 424 N GLN A 33 3.598 6.900 -0.420 1.00 0.00 N ATOM 425 CA GLN A 33 3.960 5.747 0.369 1.00 0.00 C ATOM 426 C GLN A 33 2.639 4.990 0.537 1.00 0.00 C ATOM 427 O GLN A 33 1.615 5.450 0.027 1.00 0.00 O ATOM 428 CB GLN A 33 4.472 6.192 1.745 1.00 0.00 C ATOM 429 CG GLN A 33 5.818 6.926 1.723 1.00 0.00 C ATOM 430 CD GLN A 33 5.663 8.441 1.616 1.00 0.00 C ATOM 431 OE1 GLN A 33 5.205 9.093 2.551 1.00 0.00 O ATOM 432 NE2 GLN A 33 6.042 9.026 0.486 1.00 0.00 N ATOM 0 H GLN A 33 2.676 7.247 -0.157 1.00 0.00 H new ATOM 0 HA GLN A 33 4.745 5.148 -0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.726 6.843 2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.563 5.314 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.373 6.685 2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.410 6.565 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.420 8.465 -0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.956 10.037 0.381 1.00 0.00 H new ATOM 439 N CYS A 34 2.612 3.861 1.249 1.00 0.00 N ATOM 440 CA CYS A 34 1.434 3.014 1.237 1.00 0.00 C ATOM 441 C CYS A 34 1.406 2.146 2.482 1.00 0.00 C ATOM 442 O CYS A 34 2.436 1.947 3.133 1.00 0.00 O ATOM 443 CB CYS A 34 1.485 2.148 -0.030 1.00 0.00 C ATOM 444 SG CYS A 34 0.652 2.492 -1.595 1.00 0.00 S ATOM 0 H CYS A 34 3.380 3.523 1.828 1.00 0.00 H new ATOM 0 HA CYS A 34 0.528 3.619 1.233 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.542 2.052 -0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.138 1.161 0.276 1.00 0.00 H new ATOM 448 N ARG A 35 0.207 1.665 2.825 1.00 0.00 N ATOM 449 CA ARG A 35 -0.055 0.886 4.017 1.00 0.00 C ATOM 450 C ARG A 35 -1.113 -0.160 3.733 1.00 0.00 C ATOM 451 O ARG A 35 -1.970 0.055 2.875 1.00 0.00 O ATOM 452 CB ARG A 35 -0.563 1.796 5.141 1.00 0.00 C ATOM 453 CG ARG A 35 0.543 2.729 5.586 1.00 0.00 C ATOM 454 CD ARG A 35 0.084 3.557 6.783 1.00 0.00 C ATOM 455 NE ARG A 35 0.827 4.818 6.806 1.00 0.00 N ATOM 456 CZ ARG A 35 1.889 5.126 7.570 1.00 0.00 C ATOM 457 NH1 ARG A 35 2.332 4.277 8.503 1.00 0.00 N ATOM 458 NH2 ARG A 35 2.506 6.294 7.389 1.00 0.00 N ATOM 0 H ARG A 35 -0.626 1.817 2.257 1.00 0.00 H new ATOM 0 HA ARG A 35 0.874 0.403 4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.420 2.373 4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.904 1.193 5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.430 2.153 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.825 3.388 4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.986 3.752 6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.251 3.005 7.708 1.00 0.00 H new ATOM 0 HE ARG A 35 0.502 5.546 6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.863 3.382 8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.139 4.524 9.075 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.171 6.943 6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.313 6.539 7.963 1.00 0.00 H new ATOM 469 N CYS A 36 -1.067 -1.254 4.494 1.00 0.00 N ATOM 470 CA CYS A 36 -2.124 -2.264 4.490 1.00 0.00 C ATOM 471 C CYS A 36 -2.416 -2.756 5.899 1.00 0.00 C ATOM 472 O CYS A 36 -1.646 -2.497 6.818 1.00 0.00 O ATOM 473 CB CYS A 36 -1.827 -3.402 3.534 1.00 0.00 C ATOM 474 SG CYS A 36 -0.684 -4.654 4.120 1.00 0.00 S ATOM 0 H CYS A 36 -0.297 -1.464 5.129 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.030 -1.786 4.118 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.768 -3.890 3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.428 -2.979 2.612 1.00 0.00 H new ATOM 478 N TYR A 37 -3.564 -3.405 6.076 1.00 0.00 N ATOM 479 CA TYR A 37 -4.084 -3.788 7.378 1.00 0.00 C ATOM 480 C TYR A 37 -3.369 -5.018 7.948 1.00 0.00 C ATOM 481 O TYR A 37 -2.510 -5.608 7.293 1.00 0.00 O ATOM 482 CB TYR A 37 -5.596 -4.008 7.260 1.00 0.00 C ATOM 483 CG TYR A 37 -6.026 -5.440 6.999 1.00 0.00 C ATOM 484 CD1 TYR A 37 -5.583 -6.115 5.843 1.00 0.00 C ATOM 485 CD2 TYR A 37 -6.860 -6.106 7.918 1.00 0.00 C ATOM 486 CE1 TYR A 37 -6.095 -7.387 5.536 1.00 0.00 C ATOM 487 CE2 TYR A 37 -7.322 -7.403 7.635 1.00 0.00 C ATOM 488 CZ TYR A 37 -6.983 -8.020 6.423 1.00 0.00 C ATOM 489 OH TYR A 37 -7.610 -9.170 6.054 1.00 0.00 O ATOM 0 H TYR A 37 -4.167 -3.683 5.302 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.892 -2.983 8.087 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.069 -3.666 8.181 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.976 -3.380 6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.852 -5.655 5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.144 -5.620 8.840 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.806 -7.878 4.619 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.939 -7.925 8.352 1.00 0.00 H new ATOM 0 HH TYR A 37 -8.162 -9.002 5.262 1.00 0.00 H new TER 498 TYR A 37