USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 338 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 47 CYS SG : rot -6:sc= 0.0694! USER MOD Set 1.2: A 48 THR OG1 : rot 98:sc= 0.346 USER MOD Single : A 8 GLN : amide:sc= -0.0273 K(o=-0.027,f=-0.67) USER MOD Single : A 11 GLN : amide:sc=-0.00789 X(o=-0.0079,f=-0.31) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -61:sc= 1.08 USER MOD Single : A 35 GLN : amide:sc= -0.367 K(o=-0.37,f=-3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.86) USER MOD Single : A 40 SER OG : rot -80:sc= -0.532 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -9.27! C(o=-9.3!,f=-17!) USER MOD Single : A 50 LYS NZ :NH3+ -110:sc= -3.94! (180deg=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 85 N VAL A 6 5.170 -5.048 6.432 1.00 0.00 N ATOM 86 CA VAL A 6 5.774 -6.351 6.654 1.00 0.00 C ATOM 87 C VAL A 6 7.287 -6.188 6.807 1.00 0.00 C ATOM 88 O VAL A 6 7.890 -6.772 7.706 1.00 0.00 O ATOM 89 CB VAL A 6 5.387 -7.307 5.523 1.00 0.00 C ATOM 90 CG1 VAL A 6 6.029 -6.881 4.202 1.00 0.00 C ATOM 91 CG2 VAL A 6 5.759 -8.749 5.874 1.00 0.00 C ATOM 0 HA VAL A 6 5.400 -6.793 7.578 1.00 0.00 H new ATOM 0 HB VAL A 6 4.305 -7.261 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.738 -7.577 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.693 -5.877 3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.114 -6.885 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.474 -9.408 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.834 -8.818 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.234 -9.050 6.781 1.00 0.00 H new ATOM 101 N ILE A 7 7.857 -5.391 5.916 1.00 0.00 N ATOM 102 CA ILE A 7 9.289 -5.143 5.941 1.00 0.00 C ATOM 103 C ILE A 7 9.635 -4.298 7.169 1.00 0.00 C ATOM 104 O ILE A 7 10.762 -4.341 7.658 1.00 0.00 O ATOM 105 CB ILE A 7 9.748 -4.524 4.619 1.00 0.00 C ATOM 106 CG1 ILE A 7 8.943 -3.265 4.294 1.00 0.00 C ATOM 107 CG2 ILE A 7 9.693 -5.550 3.484 1.00 0.00 C ATOM 108 CD1 ILE A 7 9.854 -2.039 4.203 1.00 0.00 C ATOM 0 H ILE A 7 7.353 -4.908 5.172 1.00 0.00 H new ATOM 0 HA ILE A 7 9.837 -6.081 6.035 1.00 0.00 H new ATOM 0 HB ILE A 7 10.789 -4.220 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.415 -3.401 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.187 -3.104 5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.024 -5.084 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.345 -6.390 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.670 -5.907 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.256 -1.158 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.362 -1.892 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.594 -2.193 3.417 1.00 0.00 H new ATOM 119 N GLN A 8 8.644 -3.551 7.631 1.00 0.00 N ATOM 120 CA GLN A 8 8.829 -2.697 8.792 1.00 0.00 C ATOM 121 C GLN A 8 9.150 -3.543 10.026 1.00 0.00 C ATOM 122 O GLN A 8 10.175 -3.336 10.675 1.00 0.00 O ATOM 123 CB GLN A 8 7.596 -1.823 9.032 1.00 0.00 C ATOM 124 CG GLN A 8 7.999 -0.374 9.316 1.00 0.00 C ATOM 125 CD GLN A 8 7.944 0.470 8.041 1.00 0.00 C ATOM 126 OE1 GLN A 8 8.025 -0.030 6.931 1.00 0.00 O ATOM 127 NE2 GLN A 8 7.801 1.774 8.261 1.00 0.00 N ATOM 0 H GLN A 8 7.710 -3.519 7.223 1.00 0.00 H new ATOM 0 HA GLN A 8 9.672 -2.033 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.945 -1.859 8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.024 -2.217 9.872 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.334 0.052 10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.007 -0.348 9.731 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.739 2.126 9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.753 2.422 7.474 1.00 0.00 H new ATOM 134 N ALA A 9 8.256 -4.478 10.313 1.00 0.00 N ATOM 135 CA ALA A 9 8.433 -5.355 11.458 1.00 0.00 C ATOM 136 C ALA A 9 9.731 -6.147 11.293 1.00 0.00 C ATOM 137 O ALA A 9 10.486 -6.313 12.251 1.00 0.00 O ATOM 138 CB ALA A 9 7.209 -6.264 11.598 1.00 0.00 C ATOM 0 H ALA A 9 7.408 -4.647 9.773 1.00 0.00 H new ATOM 0 HA ALA A 9 8.516 -4.775 12.377 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.341 -6.922 12.457 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.317 -5.654 11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.096 -6.864 10.695 1.00 0.00 H new ATOM 144 N ILE A 10 9.952 -6.613 10.072 1.00 0.00 N ATOM 145 CA ILE A 10 11.147 -7.382 9.771 1.00 0.00 C ATOM 146 C ILE A 10 12.367 -6.461 9.818 1.00 0.00 C ATOM 147 O ILE A 10 13.490 -6.923 10.017 1.00 0.00 O ATOM 148 CB ILE A 10 10.986 -8.122 8.441 1.00 0.00 C ATOM 149 CG1 ILE A 10 9.768 -9.048 8.472 1.00 0.00 C ATOM 150 CG2 ILE A 10 12.267 -8.873 8.073 1.00 0.00 C ATOM 151 CD1 ILE A 10 9.454 -9.589 7.076 1.00 0.00 C ATOM 0 H ILE A 10 9.324 -6.473 9.281 1.00 0.00 H new ATOM 0 HA ILE A 10 11.302 -8.155 10.524 1.00 0.00 H new ATOM 0 HB ILE A 10 10.809 -7.384 7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.955 -9.878 9.154 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.905 -8.506 8.858 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.126 -9.390 7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.090 -8.165 7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.499 -9.600 8.851 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.584 -10.244 7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.244 -8.758 6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.310 -10.151 6.702 1.00 0.00 H new ATOM 162 N GLN A 11 12.107 -5.176 9.632 1.00 0.00 N ATOM 163 CA GLN A 11 13.170 -4.186 9.650 1.00 0.00 C ATOM 164 C GLN A 11 13.471 -3.758 11.088 1.00 0.00 C ATOM 165 O GLN A 11 14.606 -3.871 11.548 1.00 0.00 O ATOM 166 CB GLN A 11 12.810 -2.979 8.782 1.00 0.00 C ATOM 167 CG GLN A 11 13.598 -1.740 9.214 1.00 0.00 C ATOM 168 CD GLN A 11 13.254 -0.537 8.332 1.00 0.00 C ATOM 169 OE1 GLN A 11 12.106 -0.280 8.008 1.00 0.00 O ATOM 170 NE2 GLN A 11 14.310 0.182 7.963 1.00 0.00 N ATOM 0 H GLN A 11 11.174 -4.797 9.468 1.00 0.00 H new ATOM 0 HA GLN A 11 14.069 -4.638 9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 11 13.021 -3.202 7.736 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.741 -2.779 8.856 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.375 -1.508 10.255 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.667 -1.945 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.244 -0.089 8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.186 1.005 7.373 1.00 0.00 H new ATOM 177 N LYS A 12 12.435 -3.275 11.758 1.00 0.00 N ATOM 178 CA LYS A 12 12.575 -2.831 13.134 1.00 0.00 C ATOM 179 C LYS A 12 13.077 -3.992 13.992 1.00 0.00 C ATOM 180 O LYS A 12 13.759 -3.779 14.994 1.00 0.00 O ATOM 181 CB LYS A 12 11.266 -2.217 13.634 1.00 0.00 C ATOM 182 CG LYS A 12 10.133 -3.244 13.605 1.00 0.00 C ATOM 183 CD LYS A 12 10.051 -4.007 14.929 1.00 0.00 C ATOM 184 CE LYS A 12 8.634 -4.534 15.172 1.00 0.00 C ATOM 185 NZ LYS A 12 8.624 -6.014 15.163 1.00 0.00 N ATOM 0 H LYS A 12 11.495 -3.181 11.373 1.00 0.00 H new ATOM 0 HA LYS A 12 13.320 -2.038 13.205 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.399 -1.846 14.650 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.001 -1.361 13.014 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.186 -2.740 13.412 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.294 -3.945 12.786 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.755 -4.839 14.918 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.345 -3.352 15.749 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.262 -4.168 16.129 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.961 -4.155 14.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.656 -6.356 15.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.959 -6.358 14.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.250 -6.370 15.913 1.00 0.00 H new ATOM 195 N SER A 13 12.719 -5.196 13.571 1.00 0.00 N ATOM 196 CA SER A 13 13.126 -6.392 14.289 1.00 0.00 C ATOM 197 C SER A 13 14.550 -6.783 13.891 1.00 0.00 C ATOM 198 O SER A 13 15.228 -7.502 14.624 1.00 0.00 O ATOM 199 CB SER A 13 12.163 -7.551 14.019 1.00 0.00 C ATOM 200 OG SER A 13 12.432 -8.674 14.853 1.00 0.00 O ATOM 0 H SER A 13 12.151 -5.369 12.741 1.00 0.00 H new ATOM 0 HA SER A 13 13.101 -6.174 15.357 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.138 -7.216 14.181 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.239 -7.849 12.973 1.00 0.00 H new ATOM 0 HG SER A 13 11.795 -9.391 14.651 1.00 0.00 H new ATOM 205 N ASP A 14 14.963 -6.292 12.731 1.00 0.00 N ATOM 206 CA ASP A 14 16.294 -6.582 12.228 1.00 0.00 C ATOM 207 C ASP A 14 17.287 -5.577 12.816 1.00 0.00 C ATOM 208 O ASP A 14 18.464 -5.889 12.988 1.00 0.00 O ATOM 209 CB ASP A 14 16.346 -6.459 10.704 1.00 0.00 C ATOM 210 CG ASP A 14 16.472 -7.786 9.953 1.00 0.00 C ATOM 211 OD1 ASP A 14 16.412 -8.832 10.633 1.00 0.00 O ATOM 212 OD2 ASP A 14 16.625 -7.724 8.713 1.00 0.00 O ATOM 0 H ASP A 14 14.399 -5.695 12.126 1.00 0.00 H new ATOM 0 HA ASP A 14 16.548 -7.602 12.517 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.444 -5.951 10.364 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.190 -5.824 10.434 1.00 0.00 H new ATOM 216 N GLU A 15 16.775 -4.390 13.110 1.00 0.00 N ATOM 217 CA GLU A 15 17.602 -3.338 13.676 1.00 0.00 C ATOM 218 C GLU A 15 17.401 -3.262 15.190 1.00 0.00 C ATOM 219 O GLU A 15 18.280 -2.796 15.914 1.00 0.00 O ATOM 220 CB GLU A 15 17.303 -1.991 13.014 1.00 0.00 C ATOM 221 CG GLU A 15 18.164 -1.790 11.766 1.00 0.00 C ATOM 222 CD GLU A 15 19.573 -1.328 12.141 1.00 0.00 C ATOM 223 OE1 GLU A 15 19.725 -0.113 12.388 1.00 0.00 O ATOM 224 OE2 GLU A 15 20.466 -2.202 12.172 1.00 0.00 O ATOM 0 H GLU A 15 15.798 -4.134 12.967 1.00 0.00 H new ATOM 0 HA GLU A 15 18.647 -3.578 13.480 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.248 -1.941 12.744 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.490 -1.184 13.723 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.221 -2.723 11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.697 -1.053 11.113 1.00 0.00 H new ATOM 304 N ALA A 21 10.244 0.283 19.304 1.00 0.00 N ATOM 305 CA ALA A 21 9.285 -0.557 20.001 1.00 0.00 C ATOM 306 C ALA A 21 8.170 0.319 20.575 1.00 0.00 C ATOM 307 O ALA A 21 7.038 -0.137 20.735 1.00 0.00 O ATOM 308 CB ALA A 21 10.005 -1.366 21.081 1.00 0.00 C ATOM 0 HA ALA A 21 8.826 -1.267 19.314 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.286 -1.996 21.604 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.768 -1.993 20.618 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.476 -0.686 21.791 1.00 0.00 H new ATOM 314 N TYR A 22 8.526 1.561 20.868 1.00 0.00 N ATOM 315 CA TYR A 22 7.570 2.504 21.420 1.00 0.00 C ATOM 316 C TYR A 22 6.523 2.898 20.376 1.00 0.00 C ATOM 317 O TYR A 22 5.366 3.141 20.714 1.00 0.00 O ATOM 318 CB TYR A 22 8.377 3.744 21.808 1.00 0.00 C ATOM 319 CG TYR A 22 8.789 3.783 23.282 1.00 0.00 C ATOM 320 CD1 TYR A 22 9.984 3.219 23.678 1.00 0.00 C ATOM 321 CD2 TYR A 22 7.965 4.382 24.213 1.00 0.00 C ATOM 322 CE1 TYR A 22 10.372 3.255 25.064 1.00 0.00 C ATOM 323 CE2 TYR A 22 8.353 4.418 25.599 1.00 0.00 C ATOM 324 CZ TYR A 22 9.537 3.853 25.956 1.00 0.00 C ATOM 325 OH TYR A 22 9.904 3.887 27.266 1.00 0.00 O ATOM 0 H TYR A 22 9.465 1.936 20.733 1.00 0.00 H new ATOM 0 HA TYR A 22 7.044 2.065 22.268 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.273 3.790 21.190 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.788 4.633 21.582 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.628 2.751 22.949 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.030 4.823 23.902 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.305 2.817 25.388 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.718 4.883 26.338 1.00 0.00 H new ATOM 0 HH TYR A 22 9.213 4.346 27.788 1.00 0.00 H new ATOM 334 N LEU A 23 6.968 2.948 19.129 1.00 0.00 N ATOM 335 CA LEU A 23 6.083 3.308 18.033 1.00 0.00 C ATOM 336 C LEU A 23 5.250 2.088 17.634 1.00 0.00 C ATOM 337 O LEU A 23 4.042 2.198 17.424 1.00 0.00 O ATOM 338 CB LEU A 23 6.881 3.913 16.878 1.00 0.00 C ATOM 339 CG LEU A 23 6.203 5.056 16.119 1.00 0.00 C ATOM 340 CD1 LEU A 23 7.180 6.207 15.873 1.00 0.00 C ATOM 341 CD2 LEU A 23 5.570 4.554 14.820 1.00 0.00 C ATOM 0 H LEU A 23 7.929 2.746 18.853 1.00 0.00 H new ATOM 0 HA LEU A 23 5.383 4.083 18.346 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.831 4.277 17.270 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.113 3.119 16.168 1.00 0.00 H new ATOM 0 HG LEU A 23 5.396 5.446 16.740 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.673 7.006 15.332 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.541 6.588 16.828 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.024 5.848 15.283 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.095 5.387 14.301 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.341 4.122 14.183 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.822 3.796 15.049 1.00 0.00 H new ATOM 352 N GLU A 24 5.928 0.953 17.541 1.00 0.00 N ATOM 353 CA GLU A 24 5.266 -0.286 17.171 1.00 0.00 C ATOM 354 C GLU A 24 4.348 -0.755 18.302 1.00 0.00 C ATOM 355 O GLU A 24 3.354 -1.439 18.057 1.00 0.00 O ATOM 356 CB GLU A 24 6.287 -1.366 16.809 1.00 0.00 C ATOM 357 CG GLU A 24 6.805 -2.073 18.063 1.00 0.00 C ATOM 358 CD GLU A 24 5.972 -3.319 18.374 1.00 0.00 C ATOM 359 OE1 GLU A 24 6.050 -4.269 17.566 1.00 0.00 O ATOM 360 OE2 GLU A 24 5.278 -3.292 19.412 1.00 0.00 O ATOM 0 H GLU A 24 6.929 0.866 17.716 1.00 0.00 H new ATOM 0 HA GLU A 24 4.655 -0.100 16.288 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.829 -2.094 16.139 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.121 -0.917 16.270 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.848 -2.355 17.921 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.772 -1.388 18.911 1.00 0.00 H new ATOM 365 N SER A 25 4.713 -0.371 19.516 1.00 0.00 N ATOM 366 CA SER A 25 3.935 -0.744 20.685 1.00 0.00 C ATOM 367 C SER A 25 2.517 -0.183 20.570 1.00 0.00 C ATOM 368 O SER A 25 1.541 -0.920 20.708 1.00 0.00 O ATOM 369 CB SER A 25 4.600 -0.248 21.971 1.00 0.00 C ATOM 370 OG SER A 25 3.673 -0.156 23.049 1.00 0.00 O ATOM 0 H SER A 25 5.538 0.195 19.716 1.00 0.00 H new ATOM 0 HA SER A 25 3.886 -1.832 20.730 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.409 -0.925 22.245 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.048 0.730 21.794 1.00 0.00 H new ATOM 0 HG SER A 25 4.136 0.162 23.852 1.00 0.00 H new ATOM 375 N GLU A 26 2.446 1.115 20.320 1.00 0.00 N ATOM 376 CA GLU A 26 1.164 1.784 20.185 1.00 0.00 C ATOM 377 C GLU A 26 0.312 1.088 19.121 1.00 0.00 C ATOM 378 O GLU A 26 -0.917 1.137 19.175 1.00 0.00 O ATOM 379 CB GLU A 26 1.348 3.266 19.856 1.00 0.00 C ATOM 380 CG GLU A 26 0.654 4.150 20.893 1.00 0.00 C ATOM 381 CD GLU A 26 1.307 3.996 22.269 1.00 0.00 C ATOM 382 OE1 GLU A 26 2.496 4.367 22.377 1.00 0.00 O ATOM 383 OE2 GLU A 26 0.602 3.513 23.180 1.00 0.00 O ATOM 0 H GLU A 26 3.257 1.723 20.207 1.00 0.00 H new ATOM 0 HA GLU A 26 0.642 1.721 21.140 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.411 3.505 19.823 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.943 3.475 18.866 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.702 5.192 20.578 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.401 3.884 20.955 1.00 0.00 H new ATOM 388 N VAL A 27 0.997 0.455 18.181 1.00 0.00 N ATOM 389 CA VAL A 27 0.319 -0.251 17.108 1.00 0.00 C ATOM 390 C VAL A 27 -0.136 -1.621 17.610 1.00 0.00 C ATOM 391 O VAL A 27 -1.279 -2.020 17.389 1.00 0.00 O ATOM 392 CB VAL A 27 1.229 -0.336 15.881 1.00 0.00 C ATOM 393 CG1 VAL A 27 0.693 -1.352 14.870 1.00 0.00 C ATOM 394 CG2 VAL A 27 1.409 1.038 15.234 1.00 0.00 C ATOM 0 H VAL A 27 2.015 0.416 18.140 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.573 0.293 16.798 1.00 0.00 H new ATOM 0 HB VAL A 27 2.208 -0.679 16.215 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.358 -1.393 14.008 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.642 -2.336 15.336 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.303 -1.052 14.546 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.060 0.948 14.364 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.438 1.423 14.922 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.857 1.723 15.954 1.00 0.00 H new ATOM 404 N ALA A 28 0.780 -2.306 18.279 1.00 0.00 N ATOM 405 CA ALA A 28 0.487 -3.624 18.816 1.00 0.00 C ATOM 406 C ALA A 28 -0.577 -3.499 19.907 1.00 0.00 C ATOM 407 O ALA A 28 -1.333 -4.439 20.153 1.00 0.00 O ATOM 408 CB ALA A 28 1.777 -4.264 19.330 1.00 0.00 C ATOM 0 H ALA A 28 1.726 -1.972 18.461 1.00 0.00 H new ATOM 0 HA ALA A 28 0.088 -4.276 18.039 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.557 -5.253 19.733 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.489 -4.356 18.510 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.206 -3.640 20.114 1.00 0.00 H new ATOM 414 N ILE A 29 -0.605 -2.332 20.533 1.00 0.00 N ATOM 415 CA ILE A 29 -1.564 -2.072 21.593 1.00 0.00 C ATOM 416 C ILE A 29 -2.950 -1.865 20.980 1.00 0.00 C ATOM 417 O ILE A 29 -3.962 -2.210 21.590 1.00 0.00 O ATOM 418 CB ILE A 29 -1.097 -0.907 22.466 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.289 -1.222 23.951 1.00 0.00 C ATOM 420 CG2 ILE A 29 -1.792 0.395 22.062 1.00 0.00 C ATOM 421 CD1 ILE A 29 -2.765 -1.134 24.344 1.00 0.00 C ATOM 0 H ILE A 29 0.022 -1.555 20.326 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.635 -2.930 22.261 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.029 -0.766 22.302 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.911 -2.221 24.166 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.707 -0.524 24.553 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.442 1.207 22.699 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.560 0.624 21.022 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.870 0.283 22.177 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.873 -1.362 25.404 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.134 -0.127 24.150 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.341 -1.850 23.758 1.00 0.00 H new ATOM 432 N SER A 30 -2.954 -1.300 19.781 1.00 0.00 N ATOM 433 CA SER A 30 -4.199 -1.041 19.080 1.00 0.00 C ATOM 434 C SER A 30 -4.798 -2.355 18.575 1.00 0.00 C ATOM 435 O SER A 30 -6.018 -2.513 18.541 1.00 0.00 O ATOM 436 CB SER A 30 -3.983 -0.073 17.913 1.00 0.00 C ATOM 437 OG SER A 30 -3.279 -0.684 16.836 1.00 0.00 O ATOM 0 H SER A 30 -2.114 -1.015 19.278 1.00 0.00 H new ATOM 0 HA SER A 30 -4.895 -0.576 19.779 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.948 0.287 17.557 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.427 0.797 18.262 1.00 0.00 H new ATOM 0 HG SER A 30 -2.395 -0.973 17.145 1.00 0.00 H new ATOM 442 N GLU A 31 -3.912 -3.265 18.195 1.00 0.00 N ATOM 443 CA GLU A 31 -4.338 -4.559 17.693 1.00 0.00 C ATOM 444 C GLU A 31 -5.315 -5.213 18.673 1.00 0.00 C ATOM 445 O GLU A 31 -6.133 -6.043 18.278 1.00 0.00 O ATOM 446 CB GLU A 31 -3.136 -5.469 17.429 1.00 0.00 C ATOM 447 CG GLU A 31 -3.587 -6.889 17.082 1.00 0.00 C ATOM 448 CD GLU A 31 -4.234 -6.935 15.697 1.00 0.00 C ATOM 449 OE1 GLU A 31 -3.465 -6.979 14.712 1.00 0.00 O ATOM 450 OE2 GLU A 31 -5.483 -6.927 15.654 1.00 0.00 O ATOM 0 H GLU A 31 -2.901 -3.131 18.225 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.852 -4.407 16.744 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.541 -5.063 16.611 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.494 -5.493 18.309 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.731 -7.563 17.110 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.296 -7.242 17.831 1.00 0.00 H new ATOM 455 N GLU A 32 -5.196 -4.815 19.931 1.00 0.00 N ATOM 456 CA GLU A 32 -6.059 -5.351 20.970 1.00 0.00 C ATOM 457 C GLU A 32 -7.444 -4.705 20.897 1.00 0.00 C ATOM 458 O GLU A 32 -8.436 -5.307 21.303 1.00 0.00 O ATOM 459 CB GLU A 32 -5.436 -5.157 22.354 1.00 0.00 C ATOM 460 CG GLU A 32 -5.387 -6.478 23.123 1.00 0.00 C ATOM 461 CD GLU A 32 -4.840 -6.270 24.537 1.00 0.00 C ATOM 462 OE1 GLU A 32 -3.814 -5.565 24.651 1.00 0.00 O ATOM 463 OE2 GLU A 32 -5.461 -6.821 25.473 1.00 0.00 O ATOM 0 H GLU A 32 -4.515 -4.128 20.254 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.171 -6.423 20.804 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.428 -4.755 22.250 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.014 -4.425 22.918 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.387 -6.909 23.176 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.760 -7.191 22.588 1.00 0.00 H new ATOM 468 N LEU A 33 -7.466 -3.486 20.376 1.00 0.00 N ATOM 469 CA LEU A 33 -8.714 -2.752 20.244 1.00 0.00 C ATOM 470 C LEU A 33 -9.529 -3.342 19.094 1.00 0.00 C ATOM 471 O LEU A 33 -10.718 -3.619 19.248 1.00 0.00 O ATOM 472 CB LEU A 33 -8.440 -1.254 20.100 1.00 0.00 C ATOM 473 CG LEU A 33 -8.089 -0.508 21.389 1.00 0.00 C ATOM 474 CD1 LEU A 33 -6.614 -0.100 21.402 1.00 0.00 C ATOM 475 CD2 LEU A 33 -9.017 0.689 21.599 1.00 0.00 C ATOM 0 H LEU A 33 -6.641 -2.989 20.041 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.316 -2.857 21.147 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.621 -1.121 19.393 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.320 -0.785 19.661 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.243 -1.185 22.229 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.391 0.428 22.329 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.989 -0.991 21.333 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.410 0.553 20.554 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.746 1.202 22.522 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.919 1.377 20.759 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.048 0.343 21.666 1.00 0.00 H new ATOM 486 N VAL A 34 -8.859 -3.519 17.965 1.00 0.00 N ATOM 487 CA VAL A 34 -9.506 -4.072 16.788 1.00 0.00 C ATOM 488 C VAL A 34 -10.041 -5.467 17.113 1.00 0.00 C ATOM 489 O VAL A 34 -10.954 -5.956 16.450 1.00 0.00 O ATOM 490 CB VAL A 34 -8.536 -4.065 15.604 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.299 -4.914 15.904 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.229 -4.537 14.324 1.00 0.00 C ATOM 0 H VAL A 34 -7.873 -3.289 17.841 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.357 -3.457 16.497 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.207 -3.038 15.446 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.626 -4.892 15.047 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.786 -4.513 16.778 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.602 -5.942 16.101 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.517 -4.522 13.498 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.601 -5.552 14.465 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.063 -3.873 14.096 1.00 0.00 H new ATOM 502 N GLN A 35 -9.449 -6.070 18.134 1.00 0.00 N ATOM 503 CA GLN A 35 -9.855 -7.400 18.555 1.00 0.00 C ATOM 504 C GLN A 35 -11.033 -7.313 19.528 1.00 0.00 C ATOM 505 O GLN A 35 -11.811 -8.258 19.652 1.00 0.00 O ATOM 506 CB GLN A 35 -8.682 -8.158 19.182 1.00 0.00 C ATOM 507 CG GLN A 35 -7.970 -9.023 18.140 1.00 0.00 C ATOM 508 CD GLN A 35 -8.002 -10.500 18.540 1.00 0.00 C ATOM 509 OE1 GLN A 35 -8.640 -10.896 19.501 1.00 0.00 O ATOM 510 NE2 GLN A 35 -7.280 -11.290 17.750 1.00 0.00 N ATOM 0 H GLN A 35 -8.692 -5.662 18.682 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.177 -7.956 17.674 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.976 -7.449 19.615 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.044 -8.786 19.996 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.447 -8.895 17.168 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.936 -8.694 18.033 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.769 -10.893 16.961 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.237 -12.293 17.933 1.00 0.00 H new ATOM 517 N LYS A 36 -11.127 -6.170 20.192 1.00 0.00 N ATOM 518 CA LYS A 36 -12.197 -5.947 21.149 1.00 0.00 C ATOM 519 C LYS A 36 -13.506 -5.702 20.395 1.00 0.00 C ATOM 520 O LYS A 36 -14.588 -5.925 20.937 1.00 0.00 O ATOM 521 CB LYS A 36 -11.824 -4.822 22.117 1.00 0.00 C ATOM 522 CG LYS A 36 -11.912 -5.296 23.569 1.00 0.00 C ATOM 523 CD LYS A 36 -13.321 -5.092 24.128 1.00 0.00 C ATOM 524 CE LYS A 36 -13.304 -4.125 25.315 1.00 0.00 C ATOM 525 NZ LYS A 36 -14.226 -4.589 26.375 1.00 0.00 N ATOM 0 H LYS A 36 -10.480 -5.389 20.086 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.346 -6.832 21.768 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.813 -4.475 21.905 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.490 -3.973 21.967 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.643 -6.351 23.628 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.193 -4.749 24.178 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.974 -4.703 23.346 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.735 -6.051 24.441 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.292 -4.047 25.713 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.594 -3.128 24.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.202 -3.922 27.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.193 -4.641 25.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.932 -5.531 26.703 1.00 0.00 H new ATOM 535 N TYR A 37 -13.364 -5.248 19.160 1.00 0.00 N ATOM 536 CA TYR A 37 -14.522 -4.971 18.327 1.00 0.00 C ATOM 537 C TYR A 37 -15.425 -6.201 18.216 1.00 0.00 C ATOM 538 O TYR A 37 -16.642 -6.073 18.084 1.00 0.00 O ATOM 539 CB TYR A 37 -13.972 -4.630 16.940 1.00 0.00 C ATOM 540 CG TYR A 37 -14.201 -5.723 15.894 1.00 0.00 C ATOM 541 CD1 TYR A 37 -13.506 -6.912 15.975 1.00 0.00 C ATOM 542 CD2 TYR A 37 -15.104 -5.520 14.869 1.00 0.00 C ATOM 543 CE1 TYR A 37 -13.722 -7.941 14.990 1.00 0.00 C ATOM 544 CE2 TYR A 37 -15.320 -6.548 13.885 1.00 0.00 C ATOM 545 CZ TYR A 37 -14.618 -7.708 13.994 1.00 0.00 C ATOM 546 OH TYR A 37 -14.822 -8.679 13.064 1.00 0.00 O ATOM 0 H TYR A 37 -12.465 -5.065 18.715 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.116 -4.162 18.752 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.436 -3.707 16.593 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.902 -4.438 17.022 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.800 -7.071 16.777 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.648 -4.589 14.806 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.184 -8.876 15.042 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.023 -6.402 13.079 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.489 -8.374 12.414 1.00 0.00 H new ATOM 555 N SER A 38 -14.795 -7.365 18.274 1.00 0.00 N ATOM 556 CA SER A 38 -15.526 -8.618 18.182 1.00 0.00 C ATOM 557 C SER A 38 -16.403 -8.804 19.421 1.00 0.00 C ATOM 558 O SER A 38 -17.552 -9.228 19.315 1.00 0.00 O ATOM 559 CB SER A 38 -14.571 -9.802 18.024 1.00 0.00 C ATOM 560 OG SER A 38 -15.262 -11.003 17.687 1.00 0.00 O ATOM 0 H SER A 38 -13.786 -7.467 18.384 1.00 0.00 H new ATOM 0 HA SER A 38 -16.162 -8.579 17.298 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.838 -9.576 17.250 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.019 -9.949 18.952 1.00 0.00 H new ATOM 0 HG SER A 38 -14.618 -11.736 17.593 1.00 0.00 H new ATOM 565 N ASN A 39 -15.827 -8.476 20.569 1.00 0.00 N ATOM 566 CA ASN A 39 -16.542 -8.602 21.828 1.00 0.00 C ATOM 567 C ASN A 39 -17.414 -7.363 22.040 1.00 0.00 C ATOM 568 O ASN A 39 -18.436 -7.429 22.723 1.00 0.00 O ATOM 569 CB ASN A 39 -15.571 -8.704 23.006 1.00 0.00 C ATOM 570 CG ASN A 39 -15.812 -9.983 23.807 1.00 0.00 C ATOM 571 OD1 ASN A 39 -16.162 -11.025 23.274 1.00 0.00 O ATOM 572 ND2 ASN A 39 -15.608 -9.850 25.115 1.00 0.00 N ATOM 0 H ASN A 39 -14.874 -8.123 20.653 1.00 0.00 H new ATOM 0 HA ASN A 39 -17.149 -9.506 21.782 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.545 -8.689 22.638 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.689 -7.837 23.655 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.744 -10.648 25.736 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -15.316 -8.950 25.497 1.00 0.00 H new ATOM 578 N SER A 40 -16.981 -6.263 21.442 1.00 0.00 N ATOM 579 CA SER A 40 -17.709 -5.012 21.556 1.00 0.00 C ATOM 580 C SER A 40 -18.892 -5.004 20.586 1.00 0.00 C ATOM 581 O SER A 40 -19.897 -4.339 20.831 1.00 0.00 O ATOM 582 CB SER A 40 -16.795 -3.816 21.288 1.00 0.00 C ATOM 583 OG SER A 40 -16.050 -3.443 22.444 1.00 0.00 O ATOM 0 H SER A 40 -16.134 -6.213 20.876 1.00 0.00 H new ATOM 0 HA SER A 40 -18.083 -4.927 22.576 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.108 -4.059 20.477 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.395 -2.969 20.955 1.00 0.00 H new ATOM 0 HG SER A 40 -16.616 -2.908 23.039 1.00 0.00 H new ATOM 588 N ALA A 41 -18.733 -5.751 19.503 1.00 0.00 N ATOM 589 CA ALA A 41 -19.775 -5.838 18.494 1.00 0.00 C ATOM 590 C ALA A 41 -21.105 -6.179 19.170 1.00 0.00 C ATOM 591 O ALA A 41 -22.171 -5.938 18.606 1.00 0.00 O ATOM 592 CB ALA A 41 -19.377 -6.870 17.436 1.00 0.00 C ATOM 0 H ALA A 41 -17.898 -6.302 19.302 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.898 -4.882 17.986 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.159 -6.935 16.679 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.441 -6.567 16.966 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.247 -7.844 17.908 1.00 0.00 H new ATOM 598 N LEU A 42 -20.999 -6.735 20.368 1.00 0.00 N ATOM 599 CA LEU A 42 -22.180 -7.111 21.125 1.00 0.00 C ATOM 600 C LEU A 42 -23.272 -6.061 20.913 1.00 0.00 C ATOM 601 O LEU A 42 -24.316 -6.355 20.332 1.00 0.00 O ATOM 602 CB LEU A 42 -21.822 -7.340 22.596 1.00 0.00 C ATOM 603 CG LEU A 42 -21.514 -8.784 22.994 1.00 0.00 C ATOM 604 CD1 LEU A 42 -20.641 -8.832 24.250 1.00 0.00 C ATOM 605 CD2 LEU A 42 -22.800 -9.595 23.160 1.00 0.00 C ATOM 0 H LEU A 42 -20.113 -6.934 20.833 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.577 -8.060 20.766 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.956 -6.725 22.839 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.649 -6.983 23.210 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.945 -9.246 22.187 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.437 -9.870 24.512 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -19.701 -8.314 24.060 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.163 -8.346 25.074 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -22.551 -10.618 23.443 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -23.417 -9.143 23.937 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -23.349 -9.603 22.219 1.00 0.00 H new ATOM 616 N GLY A 43 -22.995 -4.859 21.398 1.00 0.00 N ATOM 617 CA GLY A 43 -23.942 -3.764 21.268 1.00 0.00 C ATOM 618 C GLY A 43 -23.371 -2.647 20.392 1.00 0.00 C ATOM 619 O GLY A 43 -23.145 -1.535 20.867 1.00 0.00 O ATOM 0 H GLY A 43 -22.129 -4.620 21.881 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.872 -4.132 20.834 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -24.185 -3.369 22.255 1.00 0.00 H new ATOM 623 N HIS A 44 -23.154 -2.981 19.128 1.00 0.00 N ATOM 624 CA HIS A 44 -22.614 -2.021 18.182 1.00 0.00 C ATOM 625 C HIS A 44 -21.572 -1.143 18.879 1.00 0.00 C ATOM 626 O HIS A 44 -21.450 0.042 18.574 1.00 0.00 O ATOM 627 CB HIS A 44 -23.736 -1.207 17.533 1.00 0.00 C ATOM 628 CG HIS A 44 -24.559 -1.985 16.534 1.00 0.00 C ATOM 629 ND1 HIS A 44 -24.593 -1.672 15.186 1.00 0.00 N ATOM 630 CD2 HIS A 44 -25.377 -3.064 16.700 1.00 0.00 C ATOM 631 CE1 HIS A 44 -25.399 -2.530 14.578 1.00 0.00 C ATOM 632 NE2 HIS A 44 -25.883 -3.392 15.518 1.00 0.00 N ATOM 0 H HIS A 44 -23.343 -3.904 18.737 1.00 0.00 H new ATOM 0 HA HIS A 44 -22.111 -2.548 17.372 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -24.395 -0.828 18.314 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.301 -0.341 17.034 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -25.579 -3.566 17.635 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -25.632 -2.544 13.524 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -26.528 -4.162 15.341 1.00 0.00 H new ATOM 640 N VAL A 45 -20.851 -1.758 19.803 1.00 0.00 N ATOM 641 CA VAL A 45 -19.824 -1.048 20.546 1.00 0.00 C ATOM 642 C VAL A 45 -18.487 -1.180 19.813 1.00 0.00 C ATOM 643 O VAL A 45 -17.599 -0.344 19.981 1.00 0.00 O ATOM 644 CB VAL A 45 -19.769 -1.564 21.986 1.00 0.00 C ATOM 645 CG1 VAL A 45 -18.886 -0.666 22.856 1.00 0.00 C ATOM 646 CG2 VAL A 45 -21.175 -1.688 22.578 1.00 0.00 C ATOM 0 H VAL A 45 -20.957 -2.741 20.055 1.00 0.00 H new ATOM 0 HA VAL A 45 -20.060 0.015 20.604 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.323 -2.559 21.969 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -18.864 -1.054 23.874 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.874 -0.649 22.452 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -19.291 0.346 22.862 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -21.108 -2.057 23.602 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -21.658 -0.711 22.575 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.762 -2.385 21.979 1.00 0.00 H new ATOM 656 N ASN A 46 -18.385 -2.233 19.018 1.00 0.00 N ATOM 657 CA ASN A 46 -17.173 -2.484 18.259 1.00 0.00 C ATOM 658 C ASN A 46 -16.846 -1.257 17.406 1.00 0.00 C ATOM 659 O ASN A 46 -15.687 -0.858 17.303 1.00 0.00 O ATOM 660 CB ASN A 46 -17.348 -3.679 17.319 1.00 0.00 C ATOM 661 CG ASN A 46 -18.029 -3.257 16.016 1.00 0.00 C ATOM 662 OD1 ASN A 46 -17.475 -3.359 14.934 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.259 -2.778 16.179 1.00 0.00 N ATOM 0 H ASN A 46 -19.123 -2.924 18.883 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.371 -2.696 18.967 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.375 -4.119 17.099 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -17.942 -4.449 17.811 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.797 -2.469 15.370 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.664 -2.720 17.113 1.00 0.00 H new ATOM 669 N CYS A 47 -17.889 -0.691 16.816 1.00 0.00 N ATOM 670 CA CYS A 47 -17.728 0.483 15.975 1.00 0.00 C ATOM 671 C CYS A 47 -17.483 1.692 16.882 1.00 0.00 C ATOM 672 O CYS A 47 -16.926 2.697 16.443 1.00 0.00 O ATOM 673 CB CYS A 47 -18.935 0.692 15.059 1.00 0.00 C ATOM 674 SG CYS A 47 -20.477 0.695 16.044 1.00 0.00 S ATOM 0 H CYS A 47 -18.849 -1.024 16.904 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.873 0.346 15.313 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.835 1.635 14.522 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -18.974 -0.099 14.310 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.204 0.394 17.279 1.00 0.00 H new ATOM 679 N THR A 48 -17.912 1.554 18.127 1.00 0.00 N ATOM 680 CA THR A 48 -17.746 2.622 19.098 1.00 0.00 C ATOM 681 C THR A 48 -16.345 2.574 19.711 1.00 0.00 C ATOM 682 O THR A 48 -15.795 3.604 20.095 1.00 0.00 O ATOM 683 CB THR A 48 -18.866 2.498 20.133 1.00 0.00 C ATOM 684 OG1 THR A 48 -20.061 2.640 19.369 1.00 0.00 O ATOM 685 CG2 THR A 48 -18.902 3.683 21.102 1.00 0.00 C ATOM 0 H THR A 48 -18.374 0.719 18.486 1.00 0.00 H new ATOM 0 HA THR A 48 -17.826 3.601 18.626 1.00 0.00 H new ATOM 0 HB THR A 48 -18.740 1.573 20.695 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.426 1.754 19.165 1.00 0.00 H new ATOM 0 HG21 THR A 48 -19.715 3.545 21.815 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.955 3.743 21.638 1.00 0.00 H new ATOM 0 HG23 THR A 48 -19.062 4.605 20.543 1.00 0.00 H new ATOM 693 N ILE A 49 -15.808 1.364 19.784 1.00 0.00 N ATOM 694 CA ILE A 49 -14.482 1.167 20.344 1.00 0.00 C ATOM 695 C ILE A 49 -13.446 1.213 19.219 1.00 0.00 C ATOM 696 O ILE A 49 -12.441 1.916 19.322 1.00 0.00 O ATOM 697 CB ILE A 49 -14.434 -0.119 21.171 1.00 0.00 C ATOM 698 CG1 ILE A 49 -14.579 -1.351 20.277 1.00 0.00 C ATOM 699 CG2 ILE A 49 -15.482 -0.093 22.286 1.00 0.00 C ATOM 700 CD1 ILE A 49 -13.237 -1.736 19.651 1.00 0.00 C ATOM 0 H ILE A 49 -16.267 0.511 19.465 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.238 1.973 21.036 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.456 -0.182 21.649 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.964 -2.186 20.862 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -15.307 -1.150 19.491 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -15.427 -1.019 22.859 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -15.291 0.754 22.945 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -16.476 0.004 21.849 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.369 -2.615 19.020 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.866 -0.908 19.047 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.518 -1.960 20.440 1.00 0.00 H new ATOM 711 N LYS A 50 -13.726 0.454 18.169 1.00 0.00 N ATOM 712 CA LYS A 50 -12.830 0.399 17.026 1.00 0.00 C ATOM 713 C LYS A 50 -12.323 1.807 16.713 1.00 0.00 C ATOM 714 O LYS A 50 -11.129 2.080 16.824 1.00 0.00 O ATOM 715 CB LYS A 50 -13.516 -0.286 15.841 1.00 0.00 C ATOM 716 CG LYS A 50 -12.551 -0.441 14.664 1.00 0.00 C ATOM 717 CD LYS A 50 -11.567 -1.587 14.909 1.00 0.00 C ATOM 718 CE LYS A 50 -10.123 -1.119 14.716 1.00 0.00 C ATOM 719 NZ LYS A 50 -9.582 -0.574 15.980 1.00 0.00 N ATOM 0 H LYS A 50 -14.560 -0.127 18.086 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.956 -0.211 17.255 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.884 -1.266 16.146 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.383 0.298 15.531 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.114 -0.630 13.750 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.002 0.489 14.514 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.696 -1.972 15.920 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.782 -2.408 14.225 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.506 -1.952 14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.082 -0.357 13.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.466 0.456 15.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.240 -0.783 16.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.659 -1.011 16.180 1.00 0.00 H new ATOM 729 N GLU A 51 -13.256 2.665 16.325 1.00 0.00 N ATOM 730 CA GLU A 51 -12.918 4.039 15.995 1.00 0.00 C ATOM 731 C GLU A 51 -12.223 4.714 17.179 1.00 0.00 C ATOM 732 O GLU A 51 -11.430 5.637 16.994 1.00 0.00 O ATOM 733 CB GLU A 51 -14.162 4.822 15.570 1.00 0.00 C ATOM 734 CG GLU A 51 -14.953 5.298 16.790 1.00 0.00 C ATOM 735 CD GLU A 51 -16.216 6.051 16.365 1.00 0.00 C ATOM 736 OE1 GLU A 51 -16.068 7.223 15.956 1.00 0.00 O ATOM 737 OE2 GLU A 51 -17.301 5.437 16.458 1.00 0.00 O ATOM 0 H GLU A 51 -14.245 2.435 16.232 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.228 4.031 15.151 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.867 5.680 14.966 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.795 4.194 14.944 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.226 4.442 17.407 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.327 5.947 17.403 1.00 0.00 H new ATOM 742 N LEU A 52 -12.544 4.229 18.369 1.00 0.00 N ATOM 743 CA LEU A 52 -11.960 4.773 19.582 1.00 0.00 C ATOM 744 C LEU A 52 -10.455 4.497 19.588 1.00 0.00 C ATOM 745 O LEU A 52 -9.703 5.151 20.309 1.00 0.00 O ATOM 746 CB LEU A 52 -12.689 4.235 20.816 1.00 0.00 C ATOM 747 CG LEU A 52 -12.942 5.244 21.938 1.00 0.00 C ATOM 748 CD1 LEU A 52 -11.631 5.874 22.414 1.00 0.00 C ATOM 749 CD2 LEU A 52 -13.963 6.299 21.508 1.00 0.00 C ATOM 0 H LEU A 52 -13.202 3.464 18.519 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.086 5.855 19.612 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -13.648 3.827 20.498 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.110 3.406 21.223 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.370 4.711 22.787 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.839 6.587 23.212 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.967 5.094 22.788 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.152 6.390 21.582 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.124 7.003 22.324 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -13.588 6.834 20.636 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.906 5.812 21.257 1.00 0.00 H new ATOM 760 N ARG A 53 -10.061 3.528 18.775 1.00 0.00 N ATOM 761 CA ARG A 53 -8.659 3.158 18.677 1.00 0.00 C ATOM 762 C ARG A 53 -7.974 3.963 17.571 1.00 0.00 C ATOM 763 O ARG A 53 -7.136 4.820 17.851 1.00 0.00 O ATOM 764 CB ARG A 53 -8.504 1.664 18.382 1.00 0.00 C ATOM 765 CG ARG A 53 -7.061 1.328 17.999 1.00 0.00 C ATOM 766 CD ARG A 53 -6.934 1.091 16.494 1.00 0.00 C ATOM 767 NE ARG A 53 -6.711 -0.347 16.225 1.00 0.00 N ATOM 768 CZ ARG A 53 -6.208 -0.827 15.079 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.875 0.012 14.090 1.00 0.00 N ATOM 770 NH2 ARG A 53 -6.040 -2.148 14.924 1.00 0.00 N ATOM 0 H ARG A 53 -10.688 2.988 18.178 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.189 3.379 19.636 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.796 1.084 19.258 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.175 1.378 17.572 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.402 2.143 18.299 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.735 0.439 18.539 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.838 1.428 15.987 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.107 1.677 16.094 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.955 -1.014 16.957 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.004 1.017 14.209 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.492 -0.354 13.218 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.295 -2.786 15.678 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.657 -2.515 14.052 1.00 0.00 H new ATOM 781 N ARG A 54 -8.354 3.658 16.339 1.00 0.00 N ATOM 782 CA ARG A 54 -7.785 4.343 15.190 1.00 0.00 C ATOM 783 C ARG A 54 -8.647 5.549 14.812 1.00 0.00 C ATOM 784 O ARG A 54 -8.124 6.626 14.528 1.00 0.00 O ATOM 785 CB ARG A 54 -7.679 3.404 13.987 1.00 0.00 C ATOM 786 CG ARG A 54 -6.728 3.971 12.931 1.00 0.00 C ATOM 787 CD ARG A 54 -5.271 3.849 13.384 1.00 0.00 C ATOM 788 NE ARG A 54 -4.745 5.180 13.759 1.00 0.00 N ATOM 789 CZ ARG A 54 -3.479 5.408 14.139 1.00 0.00 C ATOM 790 NH1 ARG A 54 -2.605 4.394 14.198 1.00 0.00 N ATOM 791 NH2 ARG A 54 -3.090 6.648 14.462 1.00 0.00 N ATOM 0 H ARG A 54 -9.048 2.946 16.111 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.785 4.678 15.465 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.324 2.427 14.314 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.666 3.254 13.550 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.866 3.439 11.989 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.968 5.018 12.744 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.201 3.169 14.233 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.667 3.422 12.583 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.385 5.974 13.727 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.903 3.449 13.954 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.642 4.567 14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.756 7.419 14.419 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.127 6.821 14.751 1.00 0.00 H new ATOM 802 N LEU A 55 -9.953 5.330 14.821 1.00 0.00 N ATOM 803 CA LEU A 55 -10.892 6.386 14.483 1.00 0.00 C ATOM 804 C LEU A 55 -11.042 6.461 12.962 1.00 0.00 C ATOM 805 O LEU A 55 -11.129 7.551 12.396 1.00 0.00 O ATOM 806 CB LEU A 55 -10.467 7.708 15.125 1.00 0.00 C ATOM 807 CG LEU A 55 -11.568 8.755 15.295 1.00 0.00 C ATOM 808 CD1 LEU A 55 -11.742 9.581 14.019 1.00 0.00 C ATOM 809 CD2 LEU A 55 -12.879 8.106 15.741 1.00 0.00 C ATOM 0 H LEU A 55 -10.384 4.436 15.057 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.878 6.164 14.891 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.043 7.493 16.106 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.670 8.142 14.522 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.265 9.443 16.085 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.531 10.318 14.167 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.808 10.092 13.786 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.011 8.922 13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.645 8.873 15.854 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.199 7.381 14.992 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.729 7.600 16.695 1.00 0.00 H new ATOM 820 N PHE A 56 -11.068 5.290 12.343 1.00 0.00 N ATOM 821 CA PHE A 56 -11.205 5.211 10.898 1.00 0.00 C ATOM 822 C PHE A 56 -11.806 3.868 10.478 1.00 0.00 C ATOM 823 O PHE A 56 -12.681 3.817 9.616 1.00 0.00 O ATOM 824 CB PHE A 56 -9.799 5.334 10.307 1.00 0.00 C ATOM 825 CG PHE A 56 -9.778 5.706 8.824 1.00 0.00 C ATOM 826 CD1 PHE A 56 -10.226 6.926 8.423 1.00 0.00 C ATOM 827 CD2 PHE A 56 -9.312 4.818 7.906 1.00 0.00 C ATOM 828 CE1 PHE A 56 -10.206 7.272 7.046 1.00 0.00 C ATOM 829 CE2 PHE A 56 -9.292 5.164 6.529 1.00 0.00 C ATOM 830 CZ PHE A 56 -9.740 6.384 6.128 1.00 0.00 C ATOM 0 H PHE A 56 -10.997 4.389 12.815 1.00 0.00 H new ATOM 0 HA PHE A 56 -11.866 6.002 10.543 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.245 6.087 10.868 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -9.276 4.387 10.441 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.597 7.631 9.152 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.957 3.849 8.224 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.561 8.241 6.728 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.921 4.459 5.800 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.726 6.647 5.081 1.00 0.00 H new ATOM 839 N LEU A 57 -11.312 2.811 11.108 1.00 0.00 N ATOM 840 CA LEU A 57 -11.789 1.472 10.811 1.00 0.00 C ATOM 841 C LEU A 57 -13.310 1.430 10.966 1.00 0.00 C ATOM 842 O LEU A 57 -14.002 0.800 10.168 1.00 0.00 O ATOM 843 CB LEU A 57 -11.056 0.439 11.668 1.00 0.00 C ATOM 844 CG LEU A 57 -10.682 -0.871 10.970 1.00 0.00 C ATOM 845 CD1 LEU A 57 -9.786 -1.731 11.862 1.00 0.00 C ATOM 846 CD2 LEU A 57 -11.933 -1.625 10.516 1.00 0.00 C ATOM 0 H LEU A 57 -10.586 2.856 11.823 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.566 1.210 9.777 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.144 0.896 12.051 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.680 0.203 12.530 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.108 -0.630 10.075 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.535 -2.656 11.342 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.871 -1.185 12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.312 -1.966 12.787 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.640 -2.552 10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.554 -1.855 11.382 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.498 -1.006 9.819 1.00 0.00 H new ATOM 857 N VAL A 58 -13.787 2.112 11.997 1.00 0.00 N ATOM 858 CA VAL A 58 -15.214 2.161 12.268 1.00 0.00 C ATOM 859 C VAL A 58 -15.827 0.784 12.003 1.00 0.00 C ATOM 860 O VAL A 58 -16.271 0.502 10.891 1.00 0.00 O ATOM 861 CB VAL A 58 -15.864 3.274 11.443 1.00 0.00 C ATOM 862 CG1 VAL A 58 -17.377 3.313 11.670 1.00 0.00 C ATOM 863 CG2 VAL A 58 -15.228 4.630 11.753 1.00 0.00 C ATOM 0 H VAL A 58 -13.210 2.636 12.655 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.396 2.401 13.315 1.00 0.00 H new ATOM 0 HB VAL A 58 -15.689 3.055 10.390 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -17.814 4.113 11.072 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -17.814 2.359 11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.582 3.495 12.725 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.709 5.403 11.153 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.357 4.859 12.811 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.165 4.596 11.516 1.00 0.00 H new ATOM 873 N ASP A 59 -15.831 -0.036 13.043 1.00 0.00 N ATOM 874 CA ASP A 59 -16.382 -1.376 12.936 1.00 0.00 C ATOM 875 C ASP A 59 -15.493 -2.217 12.018 1.00 0.00 C ATOM 876 O ASP A 59 -15.505 -2.038 10.802 1.00 0.00 O ATOM 877 CB ASP A 59 -17.789 -1.348 12.336 1.00 0.00 C ATOM 878 CG ASP A 59 -18.755 -2.389 12.904 1.00 0.00 C ATOM 879 OD1 ASP A 59 -18.448 -3.591 12.753 1.00 0.00 O ATOM 880 OD2 ASP A 59 -19.781 -1.959 13.474 1.00 0.00 O ATOM 0 H ASP A 59 -15.462 0.201 13.964 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.426 -1.802 13.938 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.214 -0.357 12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.711 -1.496 11.259 1.00 0.00 H new ATOM 884 N ASP A 60 -14.742 -3.117 12.636 1.00 0.00 N ATOM 885 CA ASP A 60 -13.848 -3.986 11.890 1.00 0.00 C ATOM 886 C ASP A 60 -14.585 -5.276 11.525 1.00 0.00 C ATOM 887 O ASP A 60 -14.499 -5.745 10.391 1.00 0.00 O ATOM 888 CB ASP A 60 -12.621 -4.362 12.723 1.00 0.00 C ATOM 889 CG ASP A 60 -11.975 -5.699 12.355 1.00 0.00 C ATOM 890 OD1 ASP A 60 -12.429 -6.721 12.913 1.00 0.00 O ATOM 891 OD2 ASP A 60 -11.041 -5.668 11.526 1.00 0.00 O ATOM 0 H ASP A 60 -14.734 -3.263 13.645 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.526 -3.451 10.997 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.875 -3.574 12.619 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.909 -4.392 13.774 1.00 0.00 H new