USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 466 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 Single : A 7 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.25) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.1 K(o=1.1,f=-5.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.164 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0932 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.01) USER MOD Single : A 32 MET CE :methyl 162:sc= -0.384 (180deg=-1.03) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -38:sc= 0.473 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 48 CYS SG : rot 58:sc= -0.805 USER MOD Single : A 49 SER OG : rot 180:sc= -0.223 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.046 K(o=0.046,f=-2.7!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0199) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.430 1.994 -20.116 1.00 25.00 N ATOM 81 CA LEU A 6 9.798 1.613 -21.484 1.00 25.00 C ATOM 82 C LEU A 6 8.654 1.959 -22.430 1.00 25.00 C ATOM 83 O LEU A 6 8.863 2.570 -23.471 1.00 25.00 O ATOM 84 CB LEU A 6 10.079 0.101 -21.556 1.00 25.00 C ATOM 85 CG LEU A 6 11.503 -0.426 -21.288 1.00 25.00 C ATOM 86 CD1 LEU A 6 12.437 -0.033 -22.436 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.088 0.059 -19.959 1.00 25.00 C ATOM 0 HA LEU A 6 10.697 2.157 -21.775 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.412 -0.388 -20.846 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.789 -0.237 -22.551 1.00 25.00 H new ATOM 0 HG LEU A 6 11.422 -1.511 -21.222 1.00 25.00 H new ATOM 0 HD11 LEU A 6 13.439 -0.411 -22.235 1.00 25.00 H new ATOM 0 HD12 LEU A 6 12.068 -0.461 -23.368 1.00 25.00 H new ATOM 0 HD13 LEU A 6 12.469 1.053 -22.523 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.091 -0.348 -19.833 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.136 1.148 -19.958 1.00 25.00 H new ATOM 0 HD23 LEU A 6 11.454 -0.277 -19.138 1.00 25.00 H new ATOM 99 N ASN A 7 7.446 1.588 -22.021 1.00 25.00 N ATOM 100 CA ASN A 7 6.208 1.914 -22.743 1.00 25.00 C ATOM 101 C ASN A 7 6.227 1.550 -24.239 1.00 25.00 C ATOM 102 O ASN A 7 5.709 2.287 -25.076 1.00 25.00 O ATOM 103 CB ASN A 7 5.882 3.404 -22.562 1.00 25.00 C ATOM 104 CG ASN A 7 4.428 3.708 -22.809 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.552 3.079 -22.241 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.161 4.681 -23.638 1.00 25.00 N ATOM 0 H ASN A 7 7.290 1.047 -21.171 1.00 25.00 H new ATOM 0 HA ASN A 7 5.428 1.293 -22.303 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.148 3.711 -21.550 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.495 3.993 -23.245 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.192 4.937 -23.829 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.921 5.185 -24.095 1.00 25.00 H new ATOM 113 N VAL A 8 6.797 0.399 -24.563 1.00 25.00 N ATOM 114 CA VAL A 8 6.806 -0.122 -25.926 1.00 25.00 C ATOM 115 C VAL A 8 6.029 -1.423 -25.855 1.00 25.00 C ATOM 116 O VAL A 8 5.778 -1.910 -24.766 1.00 25.00 O ATOM 117 CB VAL A 8 8.244 -0.374 -26.448 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.979 0.953 -26.658 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.047 -1.278 -25.492 1.00 25.00 C ATOM 0 H VAL A 8 7.268 -0.203 -23.888 1.00 25.00 H new ATOM 0 HA VAL A 8 6.365 0.593 -26.621 1.00 25.00 H new ATOM 0 HB VAL A 8 8.158 -0.890 -27.404 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.987 0.757 -27.025 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.439 1.557 -27.387 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.035 1.491 -25.712 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.049 -1.431 -25.892 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.116 -0.803 -24.514 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.545 -2.240 -25.393 1.00 25.00 H new ATOM 129 N LEU A 9 5.631 -1.987 -26.984 1.00 25.00 N ATOM 130 CA LEU A 9 4.834 -3.213 -26.964 1.00 25.00 C ATOM 131 C LEU A 9 5.389 -4.251 -27.916 1.00 25.00 C ATOM 132 O LEU A 9 6.141 -3.940 -28.842 1.00 25.00 O ATOM 133 CB LEU A 9 3.353 -2.929 -27.273 1.00 25.00 C ATOM 134 CG LEU A 9 3.015 -1.843 -28.304 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.747 -2.236 -29.056 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.799 -0.492 -27.601 1.00 25.00 C ATOM 0 H LEU A 9 5.840 -1.626 -27.915 1.00 25.00 H new ATOM 0 HA LEU A 9 4.895 -3.617 -25.953 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.901 -3.861 -27.613 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.865 -2.660 -26.336 1.00 25.00 H new ATOM 0 HG LEU A 9 3.844 -1.747 -29.005 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.505 -1.466 -29.789 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.906 -3.186 -29.567 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.922 -2.337 -28.351 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.560 0.270 -28.343 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.976 -0.579 -26.891 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.708 -0.209 -27.070 1.00 25.00 H new ATOM 148 N ALA A 10 5.050 -5.498 -27.642 1.00 25.00 N ATOM 149 CA ALA A 10 5.568 -6.624 -28.389 1.00 25.00 C ATOM 150 C ALA A 10 4.482 -7.677 -28.588 1.00 25.00 C ATOM 151 O ALA A 10 3.579 -7.817 -27.765 1.00 25.00 O ATOM 152 CB ALA A 10 6.757 -7.221 -27.634 1.00 25.00 C ATOM 0 H ALA A 10 4.407 -5.756 -26.894 1.00 25.00 H new ATOM 0 HA ALA A 10 5.895 -6.286 -29.372 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.153 -8.070 -28.191 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.535 -6.465 -27.524 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.432 -7.554 -26.648 1.00 25.00 H new ATOM 158 N LYS A 11 4.604 -8.435 -29.667 1.00 25.00 N ATOM 159 CA LYS A 11 3.693 -9.541 -29.947 1.00 25.00 C ATOM 160 C LYS A 11 4.326 -10.830 -29.456 1.00 25.00 C ATOM 161 O LYS A 11 5.509 -11.065 -29.710 1.00 25.00 O ATOM 162 CB LYS A 11 3.438 -9.660 -31.453 1.00 25.00 C ATOM 163 CG LYS A 11 2.343 -10.676 -31.797 1.00 25.00 C ATOM 164 CD LYS A 11 2.202 -10.912 -33.286 1.00 25.00 C ATOM 165 CE LYS A 11 3.250 -11.908 -33.778 1.00 25.00 C ATOM 166 NZ LYS A 11 3.012 -12.270 -35.215 1.00 25.00 N ATOM 0 H LYS A 11 5.331 -8.305 -30.370 1.00 25.00 H new ATOM 0 HA LYS A 11 2.746 -9.357 -29.440 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.156 -8.683 -31.846 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.364 -9.949 -31.951 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.565 -11.622 -31.304 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.391 -10.325 -31.399 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.203 -11.289 -33.506 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.311 -9.968 -33.820 1.00 25.00 H new ATOM 0 HE2 LYS A 11 4.246 -11.479 -33.667 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.220 -12.807 -33.163 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.737 -12.948 -35.527 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 2.070 -12.700 -35.313 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 3.064 -11.413 -35.802 1.00 25.00 H new ATOM 180 N ALA A 12 3.549 -11.688 -28.820 1.00 25.00 N ATOM 181 CA ALA A 12 4.043 -12.999 -28.427 1.00 25.00 C ATOM 182 C ALA A 12 4.150 -13.876 -29.672 1.00 25.00 C ATOM 183 O ALA A 12 3.227 -13.948 -30.486 1.00 25.00 O ATOM 184 CB ALA A 12 3.107 -13.628 -27.407 1.00 25.00 C ATOM 0 H ALA A 12 2.579 -11.504 -28.565 1.00 25.00 H new ATOM 0 HA ALA A 12 5.026 -12.902 -27.966 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.487 -14.609 -27.121 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.048 -12.990 -26.525 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.114 -13.737 -27.843 1.00 25.00 H new ATOM 190 N LEU A 13 5.283 -14.534 -29.823 1.00 25.00 N ATOM 191 CA LEU A 13 5.515 -15.416 -30.961 1.00 25.00 C ATOM 192 C LEU A 13 4.979 -16.807 -30.648 1.00 25.00 C ATOM 193 O LEU A 13 4.624 -17.561 -31.548 1.00 25.00 O ATOM 194 CB LEU A 13 7.016 -15.502 -31.254 1.00 25.00 C ATOM 195 CG LEU A 13 7.690 -14.210 -31.744 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.206 -14.380 -31.713 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.228 -13.869 -33.168 1.00 25.00 C ATOM 0 H LEU A 13 6.064 -14.477 -29.170 1.00 25.00 H new ATOM 0 HA LEU A 13 5.000 -15.015 -31.834 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.523 -15.830 -30.347 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.174 -16.276 -32.005 1.00 25.00 H new ATOM 0 HG LEU A 13 7.405 -13.391 -31.084 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.682 -13.463 -32.061 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.528 -14.592 -30.693 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.493 -15.207 -32.363 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.715 -12.952 -33.499 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.493 -14.684 -33.842 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.147 -13.729 -33.176 1.00 25.00 H new ATOM 209 N TYR A 14 4.922 -17.125 -29.363 1.00 25.00 N ATOM 210 CA TYR A 14 4.499 -18.443 -28.901 1.00 25.00 C ATOM 211 C TYR A 14 3.497 -18.275 -27.767 1.00 25.00 C ATOM 212 O TYR A 14 3.421 -17.210 -27.164 1.00 25.00 O ATOM 213 CB TYR A 14 5.717 -19.228 -28.410 1.00 25.00 C ATOM 214 CG TYR A 14 6.845 -19.256 -29.423 1.00 25.00 C ATOM 215 CD1 TYR A 14 6.830 -20.165 -30.501 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.923 -18.352 -29.322 1.00 25.00 C ATOM 217 CE1 TYR A 14 7.878 -20.167 -31.465 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.973 -18.357 -30.279 1.00 25.00 C ATOM 219 CZ TYR A 14 8.936 -19.260 -31.342 1.00 25.00 C ATOM 220 OH TYR A 14 9.943 -19.251 -32.272 1.00 25.00 O ATOM 0 H TYR A 14 5.166 -16.480 -28.611 1.00 25.00 H new ATOM 0 HA TYR A 14 4.031 -18.990 -29.720 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.079 -18.785 -27.482 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.416 -20.250 -28.180 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.015 -20.867 -30.596 1.00 25.00 H new ATOM 0 HD2 TYR A 14 7.951 -17.646 -28.505 1.00 25.00 H new ATOM 0 HE1 TYR A 14 7.856 -20.866 -32.288 1.00 25.00 H new ATOM 0 HE2 TYR A 14 9.796 -17.665 -30.184 1.00 25.00 H new ATOM 0 HH TYR A 14 10.598 -18.560 -32.039 1.00 25.00 H new ATOM 230 N ASP A 15 2.734 -19.317 -27.491 1.00 25.00 N ATOM 231 CA ASP A 15 1.758 -19.329 -26.402 1.00 25.00 C ATOM 232 C ASP A 15 2.367 -20.057 -25.221 1.00 25.00 C ATOM 233 O ASP A 15 3.272 -20.870 -25.393 1.00 25.00 O ATOM 234 CB ASP A 15 0.454 -20.032 -26.829 1.00 25.00 C ATOM 235 CG ASP A 15 0.681 -21.421 -27.432 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.428 -21.526 -28.436 1.00 25.00 O ATOM 237 OD2 ASP A 15 -0.038 -22.353 -27.048 1.00 25.00 O ATOM 0 H ASP A 15 2.770 -20.190 -28.018 1.00 25.00 H new ATOM 0 HA ASP A 15 1.511 -18.302 -26.134 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.201 -20.123 -25.963 1.00 25.00 H new ATOM 0 HB3 ASP A 15 -0.065 -19.408 -27.557 1.00 25.00 H new ATOM 242 N ASN A 16 1.877 -19.755 -24.028 1.00 25.00 N ATOM 243 CA ASN A 16 2.358 -20.410 -22.819 1.00 25.00 C ATOM 244 C ASN A 16 1.233 -20.771 -21.858 1.00 25.00 C ATOM 245 O ASN A 16 0.079 -20.364 -22.028 1.00 25.00 O ATOM 246 CB ASN A 16 3.377 -19.519 -22.091 1.00 25.00 C ATOM 247 CG ASN A 16 2.727 -18.487 -21.181 1.00 25.00 C ATOM 248 OD1 ASN A 16 1.794 -17.812 -21.565 1.00 25.00 O ATOM 249 ND2 ASN A 16 3.226 -18.361 -19.981 1.00 25.00 N ATOM 0 H ASN A 16 1.147 -19.061 -23.870 1.00 25.00 H new ATOM 0 HA ASN A 16 2.833 -21.337 -23.140 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.043 -20.148 -21.500 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.994 -19.006 -22.829 1.00 25.00 H new ATOM 0 HD21 ASN A 16 2.831 -17.679 -19.334 1.00 25.00 H new ATOM 0 HD22 ASN A 16 4.011 -18.945 -19.691 1.00 25.00 H new ATOM 256 N VAL A 17 1.610 -21.495 -20.820 1.00 25.00 N ATOM 257 CA VAL A 17 0.744 -21.804 -19.696 1.00 25.00 C ATOM 258 C VAL A 17 1.570 -21.237 -18.559 1.00 25.00 C ATOM 259 O VAL A 17 2.784 -21.403 -18.572 1.00 25.00 O ATOM 260 CB VAL A 17 0.532 -23.338 -19.525 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.293 -23.642 -18.264 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.174 -23.920 -20.764 1.00 25.00 C ATOM 0 H VAL A 17 2.545 -21.893 -20.733 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.266 -21.404 -19.782 1.00 25.00 H new ATOM 0 HB VAL A 17 1.511 -23.804 -19.418 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.427 -24.719 -18.168 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.230 -23.261 -17.387 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.268 -23.161 -18.342 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.316 -24.993 -20.632 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.144 -23.438 -20.890 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.437 -23.741 -21.649 1.00 25.00 H new ATOM 272 N ALA A 18 0.940 -20.525 -17.637 1.00 25.00 N ATOM 273 CA ALA A 18 1.652 -19.898 -16.533 1.00 25.00 C ATOM 274 C ALA A 18 1.248 -20.596 -15.243 1.00 25.00 C ATOM 275 O ALA A 18 0.070 -20.910 -15.060 1.00 25.00 O ATOM 276 CB ALA A 18 1.310 -18.404 -16.467 1.00 25.00 C ATOM 0 H ALA A 18 -0.068 -20.366 -17.631 1.00 25.00 H new ATOM 0 HA ALA A 18 2.728 -19.991 -16.679 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.848 -17.944 -15.638 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.602 -17.922 -17.400 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.237 -18.283 -16.316 1.00 25.00 H new ATOM 282 N GLU A 19 2.212 -20.824 -14.364 1.00 25.00 N ATOM 283 CA GLU A 19 1.941 -21.483 -13.080 1.00 25.00 C ATOM 284 C GLU A 19 2.160 -20.543 -11.895 1.00 25.00 C ATOM 285 O GLU A 19 1.567 -20.724 -10.833 1.00 25.00 O ATOM 286 CB GLU A 19 2.810 -22.744 -12.928 1.00 25.00 C ATOM 287 CG GLU A 19 4.317 -22.483 -12.835 1.00 25.00 C ATOM 288 CD GLU A 19 5.113 -23.765 -12.618 1.00 25.00 C ATOM 289 OE1 GLU A 19 5.904 -23.816 -11.650 1.00 25.00 O ATOM 290 OE2 GLU A 19 4.943 -24.723 -13.404 1.00 25.00 O ATOM 0 H GLU A 19 3.188 -20.566 -14.509 1.00 25.00 H new ATOM 0 HA GLU A 19 0.890 -21.771 -13.080 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.493 -23.280 -12.033 1.00 25.00 H new ATOM 0 HB3 GLU A 19 2.622 -23.401 -13.777 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.657 -21.997 -13.750 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.514 -21.792 -12.015 1.00 25.00 H new ATOM 297 N SER A 20 2.999 -19.534 -12.075 1.00 25.00 N ATOM 298 CA SER A 20 3.311 -18.604 -10.992 1.00 25.00 C ATOM 299 C SER A 20 2.405 -17.383 -11.048 1.00 25.00 C ATOM 300 O SER A 20 2.059 -16.911 -12.134 1.00 25.00 O ATOM 301 CB SER A 20 4.762 -18.141 -11.113 1.00 25.00 C ATOM 302 OG SER A 20 5.106 -17.225 -10.087 1.00 25.00 O ATOM 0 H SER A 20 3.476 -19.336 -12.955 1.00 25.00 H new ATOM 0 HA SER A 20 3.156 -19.122 -10.046 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.425 -19.005 -11.067 1.00 25.00 H new ATOM 0 HB3 SER A 20 4.915 -17.673 -12.085 1.00 25.00 H new ATOM 0 HG SER A 20 6.041 -16.951 -10.193 1.00 25.00 H new ATOM 308 N PRO A 21 2.080 -16.789 -9.885 1.00 25.00 N ATOM 309 CA PRO A 21 1.357 -15.517 -9.973 1.00 25.00 C ATOM 310 C PRO A 21 2.227 -14.382 -10.519 1.00 25.00 C ATOM 311 O PRO A 21 1.713 -13.348 -10.938 1.00 25.00 O ATOM 312 CB PRO A 21 0.968 -15.255 -8.522 1.00 25.00 C ATOM 313 CG PRO A 21 2.049 -15.879 -7.735 1.00 25.00 C ATOM 314 CD PRO A 21 2.349 -17.153 -8.479 1.00 25.00 C ATOM 0 HA PRO A 21 0.512 -15.565 -10.659 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.893 -14.187 -8.317 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.001 -15.694 -8.285 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.926 -15.234 -7.678 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.733 -16.079 -6.711 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.382 -17.471 -8.335 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.714 -17.974 -8.146 1.00 25.00 H new ATOM 322 N ASP A 22 3.538 -14.584 -10.530 1.00 25.00 N ATOM 323 CA ASP A 22 4.466 -13.580 -11.047 1.00 25.00 C ATOM 324 C ASP A 22 4.579 -13.702 -12.565 1.00 25.00 C ATOM 325 O ASP A 22 5.090 -12.811 -13.230 1.00 25.00 O ATOM 326 CB ASP A 22 5.866 -13.793 -10.452 1.00 25.00 C ATOM 327 CG ASP A 22 5.909 -13.580 -8.943 1.00 25.00 C ATOM 328 OD1 ASP A 22 4.972 -12.979 -8.376 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.892 -14.037 -8.323 1.00 25.00 O ATOM 0 H ASP A 22 3.986 -15.434 -10.187 1.00 25.00 H new ATOM 0 HA ASP A 22 4.085 -12.596 -10.772 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.202 -14.804 -10.681 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.566 -13.108 -10.930 1.00 25.00 H new ATOM 334 N GLU A 23 4.122 -14.824 -13.105 1.00 25.00 N ATOM 335 CA GLU A 23 4.242 -15.126 -14.525 1.00 25.00 C ATOM 336 C GLU A 23 2.979 -14.735 -15.290 1.00 25.00 C ATOM 337 O GLU A 23 1.862 -15.025 -14.860 1.00 25.00 O ATOM 338 CB GLU A 23 4.472 -16.625 -14.680 1.00 25.00 C ATOM 339 CG GLU A 23 4.839 -17.047 -16.077 1.00 25.00 C ATOM 340 CD GLU A 23 4.917 -18.559 -16.225 1.00 25.00 C ATOM 341 OE1 GLU A 23 4.615 -19.286 -15.240 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.218 -19.025 -17.349 1.00 25.00 O ATOM 0 H GLU A 23 3.655 -15.554 -12.567 1.00 25.00 H new ATOM 0 HA GLU A 23 5.075 -14.555 -14.934 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.265 -16.933 -13.998 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.568 -17.154 -14.377 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.102 -16.654 -16.778 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.800 -16.608 -16.345 1.00 25.00 H new ATOM 349 N LEU A 24 3.146 -14.093 -16.435 1.00 25.00 N ATOM 350 CA LEU A 24 1.995 -13.711 -17.244 1.00 25.00 C ATOM 351 C LEU A 24 1.549 -14.865 -18.138 1.00 25.00 C ATOM 352 O LEU A 24 2.362 -15.510 -18.793 1.00 25.00 O ATOM 353 CB LEU A 24 2.340 -12.507 -18.119 1.00 25.00 C ATOM 354 CG LEU A 24 1.390 -11.306 -17.996 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.919 -10.183 -18.871 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.045 -11.645 -18.404 1.00 25.00 C ATOM 0 H LEU A 24 4.051 -13.828 -16.823 1.00 25.00 H new ATOM 0 HA LEU A 24 1.182 -13.452 -16.566 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.349 -12.177 -17.871 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.357 -12.829 -19.160 1.00 25.00 H new ATOM 0 HG LEU A 24 1.357 -11.006 -16.948 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.256 -9.321 -18.796 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.918 -9.903 -18.538 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.962 -10.519 -19.907 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.672 -10.760 -18.297 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.059 -11.977 -19.442 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.427 -12.440 -17.764 1.00 25.00 H new ATOM 368 N SER A 25 0.246 -15.078 -18.210 1.00 25.00 N ATOM 369 CA SER A 25 -0.329 -16.036 -19.143 1.00 25.00 C ATOM 370 C SER A 25 -0.656 -15.286 -20.433 1.00 25.00 C ATOM 371 O SER A 25 -1.443 -14.342 -20.429 1.00 25.00 O ATOM 372 CB SER A 25 -1.594 -16.644 -18.543 1.00 25.00 C ATOM 373 OG SER A 25 -2.254 -15.705 -17.699 1.00 25.00 O ATOM 0 H SER A 25 -0.440 -14.596 -17.629 1.00 25.00 H new ATOM 0 HA SER A 25 0.370 -16.847 -19.348 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.266 -16.958 -19.341 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.339 -17.537 -17.972 1.00 25.00 H new ATOM 0 HG SER A 25 -3.063 -16.113 -17.326 1.00 25.00 H new ATOM 379 N PHE A 26 -0.028 -15.687 -21.527 1.00 25.00 N ATOM 380 CA PHE A 26 -0.189 -15.022 -22.814 1.00 25.00 C ATOM 381 C PHE A 26 -0.352 -16.051 -23.924 1.00 25.00 C ATOM 382 O PHE A 26 -0.111 -17.243 -23.732 1.00 25.00 O ATOM 383 CB PHE A 26 1.024 -14.130 -23.099 1.00 25.00 C ATOM 384 CG PHE A 26 2.345 -14.854 -23.030 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.851 -15.548 -24.146 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.099 -14.832 -21.843 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.095 -16.224 -24.074 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.337 -15.509 -21.756 1.00 25.00 C ATOM 389 CZ PHE A 26 4.838 -16.204 -22.875 1.00 25.00 C ATOM 0 H PHE A 26 0.609 -16.483 -21.549 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.085 -14.402 -22.778 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.914 -13.689 -24.090 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.034 -13.308 -22.384 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.286 -15.565 -25.066 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.727 -14.290 -20.986 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.473 -16.754 -24.936 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.898 -15.494 -20.833 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.786 -16.719 -22.815 1.00 25.00 H new ATOM 399 N ARG A 27 -0.783 -15.594 -25.090 1.00 25.00 N ATOM 400 CA ARG A 27 -1.021 -16.494 -26.213 1.00 25.00 C ATOM 401 C ARG A 27 -0.236 -16.027 -27.418 1.00 25.00 C ATOM 402 O ARG A 27 0.007 -14.844 -27.581 1.00 25.00 O ATOM 403 CB ARG A 27 -2.519 -16.521 -26.558 1.00 25.00 C ATOM 404 CG ARG A 27 -3.450 -16.809 -25.368 1.00 25.00 C ATOM 405 CD ARG A 27 -3.256 -18.214 -24.784 1.00 25.00 C ATOM 406 NE ARG A 27 -4.003 -18.380 -23.526 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.290 -18.697 -23.425 1.00 25.00 C ATOM 408 NH1 ARG A 27 -6.050 -18.910 -24.473 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.824 -18.800 -22.239 1.00 25.00 N ATOM 0 H ARG A 27 -0.975 -14.611 -25.285 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.698 -17.497 -25.935 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.795 -15.560 -26.993 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.687 -17.278 -27.324 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -3.273 -16.069 -24.587 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -4.486 -16.694 -25.687 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -3.588 -18.959 -25.507 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -2.196 -18.392 -24.606 1.00 25.00 H new ATOM 0 HE ARG A 27 -3.488 -18.240 -22.657 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.658 -18.834 -25.411 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -7.033 -19.151 -24.349 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -5.255 -18.638 -21.408 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.810 -19.042 -22.143 1.00 25.00 H new ATOM 423 N LYS A 28 0.121 -16.955 -28.288 1.00 25.00 N ATOM 424 CA LYS A 28 0.769 -16.606 -29.554 1.00 25.00 C ATOM 425 C LYS A 28 -0.125 -15.639 -30.318 1.00 25.00 C ATOM 426 O LYS A 28 -1.327 -15.845 -30.434 1.00 25.00 O ATOM 427 CB LYS A 28 1.059 -17.859 -30.400 1.00 25.00 C ATOM 428 CG LYS A 28 -0.143 -18.789 -30.646 1.00 25.00 C ATOM 429 CD LYS A 28 0.321 -20.113 -31.245 1.00 25.00 C ATOM 430 CE LYS A 28 -0.708 -21.226 -31.011 1.00 25.00 C ATOM 431 NZ LYS A 28 -0.025 -22.512 -30.607 1.00 25.00 N ATOM 0 H LYS A 28 -0.023 -17.955 -28.148 1.00 25.00 H new ATOM 0 HA LYS A 28 1.727 -16.131 -29.341 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.452 -17.540 -31.365 1.00 25.00 H new ATOM 0 HB3 LYS A 28 1.845 -18.433 -29.909 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.668 -18.971 -29.708 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.852 -18.307 -31.319 1.00 25.00 H new ATOM 0 HD2 LYS A 28 0.489 -19.991 -32.315 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.275 -20.399 -30.803 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -1.409 -20.922 -30.234 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -1.289 -21.387 -31.919 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.737 -23.194 -30.275 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.479 -22.909 -31.425 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.653 -22.320 -29.842 1.00 25.00 H new ATOM 445 N GLY A 29 0.478 -14.572 -30.813 1.00 25.00 N ATOM 446 CA GLY A 29 -0.252 -13.558 -31.555 1.00 25.00 C ATOM 447 C GLY A 29 -0.794 -12.428 -30.699 1.00 25.00 C ATOM 448 O GLY A 29 -1.200 -11.405 -31.243 1.00 25.00 O ATOM 0 H GLY A 29 1.476 -14.385 -30.714 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.405 -13.138 -32.317 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.082 -14.034 -32.077 1.00 25.00 H new ATOM 452 N ASP A 30 -0.795 -12.591 -29.383 1.00 25.00 N ATOM 453 CA ASP A 30 -1.325 -11.569 -28.478 1.00 25.00 C ATOM 454 C ASP A 30 -0.329 -10.415 -28.346 1.00 25.00 C ATOM 455 O ASP A 30 0.865 -10.584 -28.628 1.00 25.00 O ATOM 456 CB ASP A 30 -1.610 -12.191 -27.106 1.00 25.00 C ATOM 457 CG ASP A 30 -2.757 -11.518 -26.383 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.157 -10.402 -26.774 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.289 -12.139 -25.436 1.00 25.00 O ATOM 0 H ASP A 30 -0.435 -13.422 -28.913 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.256 -11.176 -28.887 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.837 -13.249 -27.232 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.712 -12.129 -26.491 1.00 25.00 H new ATOM 464 N ILE A 31 -0.820 -9.248 -27.949 1.00 25.00 N ATOM 465 CA ILE A 31 -0.017 -8.024 -27.882 1.00 25.00 C ATOM 466 C ILE A 31 0.074 -7.543 -26.440 1.00 25.00 C ATOM 467 O ILE A 31 -0.943 -7.327 -25.800 1.00 25.00 O ATOM 468 CB ILE A 31 -0.676 -6.871 -28.716 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.050 -7.347 -30.142 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.260 -5.632 -28.771 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.120 -7.750 -31.027 1.00 25.00 C ATOM 0 H ILE A 31 -1.790 -9.119 -27.662 1.00 25.00 H new ATOM 0 HA ILE A 31 0.969 -8.258 -28.283 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.599 -6.581 -28.215 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.727 -8.197 -30.056 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.601 -6.549 -30.640 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.215 -4.843 -29.354 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.448 -5.273 -27.759 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.205 -5.910 -29.238 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.253 -8.066 -32.001 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.790 -6.900 -31.153 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.662 -8.573 -30.561 1.00 25.00 H new ATOM 483 N MET A 32 1.284 -7.355 -25.935 1.00 25.00 N ATOM 484 CA MET A 32 1.480 -6.916 -24.553 1.00 25.00 C ATOM 485 C MET A 32 2.457 -5.755 -24.474 1.00 25.00 C ATOM 486 O MET A 32 3.386 -5.651 -25.280 1.00 25.00 O ATOM 487 CB MET A 32 1.979 -8.087 -23.709 1.00 25.00 C ATOM 488 CG MET A 32 3.337 -8.627 -24.143 1.00 25.00 C ATOM 489 SD MET A 32 3.686 -10.202 -23.374 1.00 25.00 S ATOM 490 CE MET A 32 2.726 -11.273 -24.410 1.00 25.00 C ATOM 0 H MET A 32 2.148 -7.498 -26.458 1.00 25.00 H new ATOM 0 HA MET A 32 0.523 -6.569 -24.164 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.041 -7.771 -22.668 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.247 -8.893 -23.755 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.357 -8.737 -25.227 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.116 -7.911 -23.881 1.00 25.00 H new ATOM 0 HE1 MET A 32 3.067 -12.301 -24.286 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.675 -11.203 -24.131 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.845 -10.975 -25.452 1.00 25.00 H new ATOM 500 N THR A 33 2.236 -4.874 -23.514 1.00 25.00 N ATOM 501 CA THR A 33 3.099 -3.706 -23.327 1.00 25.00 C ATOM 502 C THR A 33 4.241 -4.076 -22.394 1.00 25.00 C ATOM 503 O THR A 33 4.008 -4.585 -21.302 1.00 25.00 O ATOM 504 CB THR A 33 2.310 -2.523 -22.722 1.00 25.00 C ATOM 505 OG1 THR A 33 1.153 -2.278 -23.525 1.00 25.00 O ATOM 506 CG2 THR A 33 3.142 -1.246 -22.691 1.00 25.00 C ATOM 0 H THR A 33 1.467 -4.940 -22.848 1.00 25.00 H new ATOM 0 HA THR A 33 3.486 -3.401 -24.299 1.00 25.00 H new ATOM 0 HB THR A 33 2.040 -2.790 -21.700 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.645 -1.530 -23.147 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.552 -0.438 -22.259 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.034 -1.408 -22.086 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.436 -0.978 -23.706 1.00 25.00 H new ATOM 514 N VAL A 34 5.465 -3.824 -22.824 1.00 25.00 N ATOM 515 CA VAL A 34 6.654 -4.085 -22.011 1.00 25.00 C ATOM 516 C VAL A 34 6.892 -2.854 -21.147 1.00 25.00 C ATOM 517 O VAL A 34 7.005 -1.727 -21.647 1.00 25.00 O ATOM 518 CB VAL A 34 7.910 -4.364 -22.892 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.178 -4.477 -22.027 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.726 -5.667 -23.696 1.00 25.00 C ATOM 0 H VAL A 34 5.669 -3.433 -23.744 1.00 25.00 H new ATOM 0 HA VAL A 34 6.489 -4.974 -21.402 1.00 25.00 H new ATOM 0 HB VAL A 34 8.024 -3.525 -23.579 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.039 -4.672 -22.667 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.333 -3.544 -21.484 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.062 -5.295 -21.316 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.612 -5.847 -24.305 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.583 -6.501 -23.009 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.853 -5.575 -24.343 1.00 25.00 H new ATOM 530 N LEU A 35 6.928 -3.072 -19.844 1.00 25.00 N ATOM 531 CA LEU A 35 7.097 -1.999 -18.879 1.00 25.00 C ATOM 532 C LEU A 35 8.553 -1.873 -18.461 1.00 25.00 C ATOM 533 O LEU A 35 9.060 -0.764 -18.312 1.00 25.00 O ATOM 534 CB LEU A 35 6.244 -2.282 -17.635 1.00 25.00 C ATOM 535 CG LEU A 35 4.728 -2.420 -17.859 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.059 -2.807 -16.542 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.111 -1.123 -18.397 1.00 25.00 C ATOM 0 H LEU A 35 6.841 -3.998 -19.425 1.00 25.00 H new ATOM 0 HA LEU A 35 6.780 -1.067 -19.347 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.606 -3.202 -17.175 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.411 -1.479 -16.917 1.00 25.00 H new ATOM 0 HG LEU A 35 4.563 -3.196 -18.607 1.00 25.00 H new ATOM 0 HD11 LEU A 35 2.984 -2.906 -16.695 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.465 -3.756 -16.193 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.250 -2.035 -15.796 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.040 -1.262 -18.542 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.279 -0.317 -17.683 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.575 -0.867 -19.349 1.00 25.00 H new ATOM 549 N GLU A 36 9.208 -3.009 -18.263 1.00 25.00 N ATOM 550 CA GLU A 36 10.587 -3.045 -17.769 1.00 25.00 C ATOM 551 C GLU A 36 11.309 -4.257 -18.368 1.00 25.00 C ATOM 552 O GLU A 36 10.651 -5.208 -18.796 1.00 25.00 O ATOM 553 CB GLU A 36 10.565 -3.133 -16.230 1.00 25.00 C ATOM 554 CG GLU A 36 11.909 -2.899 -15.550 1.00 25.00 C ATOM 555 CD GLU A 36 12.518 -1.563 -15.943 1.00 25.00 C ATOM 556 OE1 GLU A 36 13.213 -1.519 -16.989 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.251 -0.552 -15.259 1.00 25.00 O ATOM 0 H GLU A 36 8.805 -3.930 -18.438 1.00 25.00 H new ATOM 0 HA GLU A 36 11.119 -2.141 -18.066 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.851 -2.402 -15.850 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.197 -4.118 -15.943 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.780 -2.935 -14.468 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.595 -3.703 -15.816 1.00 25.00 H new ATOM 564 N ARG A 37 12.638 -4.240 -18.406 1.00 25.00 N ATOM 565 CA ARG A 37 13.420 -5.371 -18.936 1.00 25.00 C ATOM 566 C ARG A 37 14.493 -5.742 -17.921 1.00 25.00 C ATOM 567 O ARG A 37 14.931 -4.883 -17.181 1.00 25.00 O ATOM 568 CB ARG A 37 14.062 -5.000 -20.273 1.00 25.00 C ATOM 569 CG ARG A 37 13.057 -4.509 -21.313 1.00 25.00 C ATOM 570 CD ARG A 37 13.590 -4.684 -22.723 1.00 25.00 C ATOM 571 NE ARG A 37 14.909 -4.058 -22.894 1.00 25.00 N ATOM 572 CZ ARG A 37 15.701 -4.219 -23.948 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.359 -4.965 -24.973 1.00 25.00 N ATOM 574 NH2 ARG A 37 16.861 -3.622 -23.969 1.00 25.00 N ATOM 0 H ARG A 37 13.204 -3.458 -18.077 1.00 25.00 H new ATOM 0 HA ARG A 37 12.760 -6.222 -19.104 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.809 -4.224 -20.106 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.588 -5.869 -20.669 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.122 -5.058 -21.205 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.832 -3.457 -21.135 1.00 25.00 H new ATOM 0 HD2 ARG A 37 13.660 -5.747 -22.955 1.00 25.00 H new ATOM 0 HD3 ARG A 37 12.887 -4.248 -23.433 1.00 25.00 H new ATOM 0 HE ARG A 37 15.242 -3.452 -22.144 1.00 25.00 H new ATOM 0 HH11 ARG A 37 14.459 -5.444 -24.977 1.00 25.00 H new ATOM 0 HH12 ARG A 37 15.994 -5.065 -25.765 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.150 -3.040 -23.182 1.00 25.00 H new ATOM 0 HH22 ARG A 37 17.479 -3.737 -24.772 1.00 25.00 H new ATOM 588 N ASP A 38 14.847 -7.027 -17.871 1.00 25.00 N ATOM 589 CA ASP A 38 15.745 -7.584 -16.835 1.00 25.00 C ATOM 590 C ASP A 38 15.135 -7.236 -15.477 1.00 25.00 C ATOM 591 O ASP A 38 15.785 -6.778 -14.543 1.00 25.00 O ATOM 592 CB ASP A 38 17.188 -7.082 -16.965 1.00 25.00 C ATOM 593 CG ASP A 38 18.158 -7.905 -16.130 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.707 -8.877 -15.484 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.368 -7.605 -16.145 1.00 25.00 O ATOM 0 H ASP A 38 14.523 -7.720 -18.546 1.00 25.00 H new ATOM 0 HA ASP A 38 15.820 -8.665 -16.955 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.491 -7.118 -18.011 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.238 -6.038 -16.654 1.00 25.00 H new ATOM 600 N THR A 39 13.828 -7.424 -15.421 1.00 25.00 N ATOM 601 CA THR A 39 13.006 -6.968 -14.302 1.00 25.00 C ATOM 602 C THR A 39 13.219 -7.749 -13.003 1.00 25.00 C ATOM 603 O THR A 39 12.648 -7.405 -11.969 1.00 25.00 O ATOM 604 CB THR A 39 11.510 -7.065 -14.701 1.00 25.00 C ATOM 605 OG1 THR A 39 10.694 -6.473 -13.688 1.00 25.00 O ATOM 606 CG2 THR A 39 11.068 -8.526 -14.900 1.00 25.00 C ATOM 0 H THR A 39 13.299 -7.900 -16.152 1.00 25.00 H new ATOM 0 HA THR A 39 13.311 -5.941 -14.100 1.00 25.00 H new ATOM 0 HB THR A 39 11.390 -6.532 -15.644 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.066 -6.681 -12.805 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.015 -8.553 -15.179 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.664 -8.982 -15.690 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.212 -9.079 -13.972 1.00 25.00 H new ATOM 614 N GLN A 40 14.007 -8.813 -13.060 1.00 25.00 N ATOM 615 CA GLN A 40 14.195 -9.690 -11.905 1.00 25.00 C ATOM 616 C GLN A 40 15.661 -10.082 -11.692 1.00 25.00 C ATOM 617 O GLN A 40 15.965 -10.943 -10.874 1.00 25.00 O ATOM 618 CB GLN A 40 13.336 -10.944 -12.116 1.00 25.00 C ATOM 619 CG GLN A 40 12.861 -11.617 -10.828 1.00 25.00 C ATOM 620 CD GLN A 40 11.925 -12.774 -11.099 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.565 -13.041 -12.234 1.00 25.00 O ATOM 622 NE2 GLN A 40 11.522 -13.456 -10.061 1.00 25.00 N ATOM 0 H GLN A 40 14.528 -9.093 -13.891 1.00 25.00 H new ATOM 0 HA GLN A 40 13.890 -9.151 -11.008 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.464 -10.674 -12.712 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.909 -11.666 -12.698 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.725 -11.974 -10.267 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.356 -10.882 -10.201 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.845 -13.202 -9.127 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.884 -14.242 -10.184 1.00 25.00 H new ATOM 631 N GLY A 41 16.565 -9.490 -12.461 1.00 25.00 N ATOM 632 CA GLY A 41 17.964 -9.896 -12.403 1.00 25.00 C ATOM 633 C GLY A 41 18.168 -11.133 -13.257 1.00 25.00 C ATOM 634 O GLY A 41 19.218 -11.776 -13.228 1.00 25.00 O ATOM 0 H GLY A 41 16.361 -8.740 -13.122 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.603 -9.087 -12.757 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.252 -10.102 -11.372 1.00 25.00 H new ATOM 638 N LEU A 42 17.135 -11.466 -14.018 1.00 25.00 N ATOM 639 CA LEU A 42 17.179 -12.567 -14.961 1.00 25.00 C ATOM 640 C LEU A 42 17.178 -11.924 -16.336 1.00 25.00 C ATOM 641 O LEU A 42 16.158 -11.368 -16.775 1.00 25.00 O ATOM 642 CB LEU A 42 15.942 -13.468 -14.806 1.00 25.00 C ATOM 643 CG LEU A 42 15.732 -14.160 -13.450 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.379 -14.879 -13.460 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.848 -15.161 -13.141 1.00 25.00 C ATOM 0 H LEU A 42 16.241 -10.976 -13.996 1.00 25.00 H new ATOM 0 HA LEU A 42 18.056 -13.194 -14.798 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.059 -12.865 -15.016 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.991 -14.240 -15.574 1.00 25.00 H new ATOM 0 HG LEU A 42 15.752 -13.397 -12.671 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.222 -15.373 -12.501 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.583 -14.154 -13.629 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.368 -15.622 -14.257 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.661 -15.627 -12.174 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.873 -15.928 -13.915 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.806 -14.641 -13.114 1.00 25.00 H new ATOM 657 N ASP A 43 18.300 -12.008 -17.029 1.00 25.00 N ATOM 658 CA ASP A 43 18.405 -11.400 -18.343 1.00 25.00 C ATOM 659 C ASP A 43 17.452 -12.114 -19.288 1.00 25.00 C ATOM 660 O ASP A 43 17.183 -13.314 -19.166 1.00 25.00 O ATOM 661 CB ASP A 43 19.834 -11.454 -18.886 1.00 25.00 C ATOM 662 CG ASP A 43 20.003 -10.627 -20.166 1.00 25.00 C ATOM 663 OD1 ASP A 43 20.930 -10.927 -20.947 1.00 25.00 O ATOM 664 OD2 ASP A 43 19.169 -9.718 -20.423 1.00 25.00 O ATOM 0 H ASP A 43 19.142 -12.486 -16.708 1.00 25.00 H new ATOM 0 HA ASP A 43 18.137 -10.347 -18.262 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.523 -11.087 -18.126 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.105 -12.490 -19.088 1.00 25.00 H new ATOM 669 N GLY A 44 16.903 -11.348 -20.209 1.00 25.00 N ATOM 670 CA GLY A 44 15.952 -11.874 -21.163 1.00 25.00 C ATOM 671 C GLY A 44 14.521 -11.859 -20.669 1.00 25.00 C ATOM 672 O GLY A 44 13.620 -11.973 -21.484 1.00 25.00 O ATOM 0 H GLY A 44 17.102 -10.353 -20.316 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.015 -11.293 -22.083 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.230 -12.898 -21.413 1.00 25.00 H new ATOM 676 N TRP A 45 14.282 -11.706 -19.375 1.00 25.00 N ATOM 677 CA TRP A 45 12.909 -11.655 -18.861 1.00 25.00 C ATOM 678 C TRP A 45 12.442 -10.211 -18.767 1.00 25.00 C ATOM 679 O TRP A 45 13.149 -9.348 -18.245 1.00 25.00 O ATOM 680 CB TRP A 45 12.817 -12.326 -17.496 1.00 25.00 C ATOM 681 CG TRP A 45 12.915 -13.817 -17.595 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.043 -14.569 -17.657 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.825 -14.759 -17.656 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.758 -15.900 -17.740 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.400 -16.062 -17.744 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.422 -14.636 -17.640 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.613 -17.231 -17.809 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.626 -15.810 -17.699 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.235 -17.096 -17.784 1.00 25.00 C ATOM 0 H TRP A 45 15.007 -11.615 -18.664 1.00 25.00 H new ATOM 0 HA TRP A 45 12.262 -12.195 -19.552 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.615 -11.952 -16.854 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.873 -12.056 -17.022 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.044 -14.163 -17.642 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.445 -16.652 -17.791 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.958 -13.662 -17.584 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.073 -18.206 -17.876 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.549 -15.728 -17.679 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.613 -17.978 -17.830 1.00 25.00 H new ATOM 700 N TRP A 46 11.270 -9.930 -19.317 1.00 25.00 N ATOM 701 CA TRP A 46 10.744 -8.576 -19.350 1.00 25.00 C ATOM 702 C TRP A 46 9.432 -8.543 -18.587 1.00 25.00 C ATOM 703 O TRP A 46 8.653 -9.492 -18.650 1.00 25.00 O ATOM 704 CB TRP A 46 10.513 -8.136 -20.800 1.00 25.00 C ATOM 705 CG TRP A 46 11.746 -8.204 -21.698 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.044 -8.402 -21.333 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.777 -8.083 -23.134 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.877 -8.426 -22.411 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.136 -8.236 -23.543 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.793 -7.873 -24.117 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.526 -8.181 -24.899 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.176 -7.826 -25.479 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.543 -7.978 -25.855 1.00 25.00 C ATOM 0 H TRP A 46 10.663 -10.627 -19.749 1.00 25.00 H new ATOM 0 HA TRP A 46 11.459 -7.894 -18.890 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.731 -8.760 -21.233 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.139 -7.112 -20.798 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.373 -8.525 -20.312 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.887 -8.563 -22.378 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.758 -7.749 -23.836 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.562 -8.294 -25.183 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.426 -7.674 -26.241 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.816 -7.934 -26.899 1.00 25.00 H new ATOM 724 N LEU A 47 9.179 -7.452 -17.885 1.00 25.00 N ATOM 725 CA LEU A 47 7.909 -7.271 -17.196 1.00 25.00 C ATOM 726 C LEU A 47 6.956 -6.742 -18.235 1.00 25.00 C ATOM 727 O LEU A 47 7.168 -5.656 -18.782 1.00 25.00 O ATOM 728 CB LEU A 47 8.029 -6.260 -16.054 1.00 25.00 C ATOM 729 CG LEU A 47 6.740 -5.987 -15.263 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.282 -7.229 -14.492 1.00 25.00 C ATOM 731 CD2 LEU A 47 6.982 -4.836 -14.294 1.00 25.00 C ATOM 0 H LEU A 47 9.834 -6.678 -17.776 1.00 25.00 H new ATOM 0 HA LEU A 47 7.573 -8.210 -16.755 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.791 -6.614 -15.359 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.387 -5.316 -16.466 1.00 25.00 H new ATOM 0 HG LEU A 47 5.951 -5.724 -15.968 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.368 -7.000 -13.944 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.091 -8.042 -15.192 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.060 -7.529 -13.790 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.071 -4.638 -13.730 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.784 -5.102 -13.606 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.264 -3.944 -14.852 1.00 25.00 H new ATOM 743 N CYS A 48 5.926 -7.505 -18.533 1.00 25.00 N ATOM 744 CA CYS A 48 4.952 -7.105 -19.528 1.00 25.00 C ATOM 745 C CYS A 48 3.601 -6.975 -18.858 1.00 25.00 C ATOM 746 O CYS A 48 3.412 -7.473 -17.757 1.00 25.00 O ATOM 747 CB CYS A 48 4.907 -8.140 -20.642 1.00 25.00 C ATOM 748 SG CYS A 48 6.530 -8.411 -21.384 1.00 25.00 S ATOM 0 H CYS A 48 5.741 -8.409 -18.099 1.00 25.00 H new ATOM 0 HA CYS A 48 5.227 -6.145 -19.966 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.528 -9.082 -20.246 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.207 -7.814 -21.411 1.00 25.00 H new ATOM 0 HG CYS A 48 7.371 -8.782 -20.465 1.00 25.00 H new ATOM 754 N SER A 49 2.667 -6.318 -19.523 1.00 25.00 N ATOM 755 CA SER A 49 1.315 -6.154 -19.008 1.00 25.00 C ATOM 756 C SER A 49 0.322 -6.562 -20.086 1.00 25.00 C ATOM 757 O SER A 49 0.476 -6.205 -21.259 1.00 25.00 O ATOM 758 CB SER A 49 1.091 -4.710 -18.566 1.00 25.00 C ATOM 759 OG SER A 49 1.474 -3.805 -19.585 1.00 25.00 O ATOM 0 H SER A 49 2.822 -5.884 -20.433 1.00 25.00 H new ATOM 0 HA SER A 49 1.169 -6.792 -18.136 1.00 25.00 H new ATOM 0 HB2 SER A 49 0.040 -4.560 -18.317 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.665 -4.509 -17.661 1.00 25.00 H new ATOM 0 HG SER A 49 1.321 -2.886 -19.281 1.00 25.00 H new ATOM 765 N LEU A 50 -0.654 -7.366 -19.685 1.00 25.00 N ATOM 766 CA LEU A 50 -1.640 -7.944 -20.595 1.00 25.00 C ATOM 767 C LEU A 50 -2.874 -8.368 -19.798 1.00 25.00 C ATOM 768 O LEU A 50 -2.749 -8.878 -18.692 1.00 25.00 O ATOM 769 CB LEU A 50 -1.032 -9.182 -21.273 1.00 25.00 C ATOM 770 CG LEU A 50 -1.927 -9.985 -22.229 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.303 -9.175 -23.451 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.203 -11.249 -22.652 1.00 25.00 C ATOM 0 H LEU A 50 -0.787 -7.639 -18.711 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.922 -7.208 -21.348 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.151 -8.861 -21.829 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.687 -9.857 -20.490 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.847 -10.240 -21.703 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.936 -9.775 -24.105 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.844 -8.281 -23.142 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.400 -8.885 -23.987 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.836 -11.821 -23.331 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.275 -10.984 -23.158 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.978 -11.851 -21.772 1.00 25.00 H new ATOM 784 N HIS A 51 -4.054 -8.165 -20.373 1.00 25.00 N ATOM 785 CA HIS A 51 -5.326 -8.614 -19.780 1.00 25.00 C ATOM 786 C HIS A 51 -5.595 -8.064 -18.367 1.00 25.00 C ATOM 787 O HIS A 51 -6.241 -8.707 -17.548 1.00 25.00 O ATOM 788 CB HIS A 51 -5.383 -10.151 -19.776 1.00 25.00 C ATOM 789 CG HIS A 51 -6.744 -10.701 -20.072 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.180 -11.050 -21.325 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.796 -10.960 -19.247 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.431 -11.491 -21.224 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.857 -11.462 -19.978 1.00 25.00 N ATOM 0 H HIS A 51 -4.165 -7.684 -21.266 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.117 -8.204 -20.408 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.677 -10.534 -20.513 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -5.057 -10.516 -18.802 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.801 -10.797 -18.179 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.024 -11.831 -22.060 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.771 -11.748 -19.628 1.00 25.00 H new ATOM 801 N GLY A 52 -5.103 -6.862 -18.092 1.00 25.00 N ATOM 802 CA GLY A 52 -5.357 -6.223 -16.807 1.00 25.00 C ATOM 803 C GLY A 52 -4.398 -6.605 -15.693 1.00 25.00 C ATOM 804 O GLY A 52 -4.567 -6.161 -14.563 1.00 25.00 O ATOM 0 H GLY A 52 -4.531 -6.314 -18.735 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.318 -5.142 -16.943 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.371 -6.468 -16.492 1.00 25.00 H new ATOM 808 N ARG A 53 -3.384 -7.400 -16.003 1.00 25.00 N ATOM 809 CA ARG A 53 -2.375 -7.800 -15.019 1.00 25.00 C ATOM 810 C ARG A 53 -1.003 -7.668 -15.648 1.00 25.00 C ATOM 811 O ARG A 53 -0.883 -7.609 -16.868 1.00 25.00 O ATOM 812 CB ARG A 53 -2.603 -9.249 -14.552 1.00 25.00 C ATOM 813 CG ARG A 53 -2.449 -10.297 -15.665 1.00 25.00 C ATOM 814 CD ARG A 53 -2.533 -11.726 -15.139 1.00 25.00 C ATOM 815 NE ARG A 53 -1.388 -12.063 -14.272 1.00 25.00 N ATOM 816 CZ ARG A 53 -0.928 -13.289 -14.045 1.00 25.00 C ATOM 817 NH1 ARG A 53 -1.452 -14.357 -14.593 1.00 25.00 N ATOM 818 NH2 ARG A 53 0.090 -13.444 -13.263 1.00 25.00 N ATOM 0 H ARG A 53 -3.233 -7.786 -16.935 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.452 -7.152 -14.146 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.898 -9.477 -13.753 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.604 -9.330 -14.127 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.226 -10.143 -16.414 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -1.491 -10.153 -16.165 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.460 -11.853 -14.581 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.569 -12.420 -15.979 1.00 25.00 H new ATOM 0 HE ARG A 53 -0.910 -11.291 -13.808 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -2.248 -14.268 -15.225 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -1.064 -15.278 -14.388 1.00 25.00 H new ATOM 0 HH21 ARG A 53 0.529 -12.631 -12.830 1.00 25.00 H new ATOM 0 HH22 ARG A 53 0.454 -14.379 -13.079 1.00 25.00 H new ATOM 832 N GLN A 54 0.029 -7.645 -14.829 1.00 25.00 N ATOM 833 CA GLN A 54 1.395 -7.650 -15.322 1.00 25.00 C ATOM 834 C GLN A 54 2.068 -8.913 -14.820 1.00 25.00 C ATOM 835 O GLN A 54 1.591 -9.537 -13.873 1.00 25.00 O ATOM 836 CB GLN A 54 2.163 -6.387 -14.890 1.00 25.00 C ATOM 837 CG GLN A 54 2.210 -6.126 -13.387 1.00 25.00 C ATOM 838 CD GLN A 54 1.097 -5.207 -12.927 1.00 25.00 C ATOM 839 OE1 GLN A 54 -0.035 -5.624 -12.745 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.412 -3.949 -12.750 1.00 25.00 N ATOM 0 H GLN A 54 -0.052 -7.623 -13.812 1.00 25.00 H new ATOM 0 HA GLN A 54 1.393 -7.639 -16.412 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.186 -6.461 -15.260 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.710 -5.523 -15.377 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.139 -7.074 -12.854 1.00 25.00 H new ATOM 0 HG3 GLN A 54 3.173 -5.685 -13.127 1.00 25.00 H new ATOM 0 HE21 GLN A 54 2.369 -3.635 -12.912 1.00 25.00 H new ATOM 0 HE22 GLN A 54 0.700 -3.282 -12.450 1.00 25.00 H new ATOM 849 N GLY A 55 3.149 -9.297 -15.473 1.00 25.00 N ATOM 850 CA GLY A 55 3.889 -10.483 -15.084 1.00 25.00 C ATOM 851 C GLY A 55 5.139 -10.621 -15.924 1.00 25.00 C ATOM 852 O GLY A 55 5.301 -9.908 -16.923 1.00 25.00 O ATOM 0 H GLY A 55 3.535 -8.803 -16.278 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.156 -10.423 -14.029 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.262 -11.367 -15.204 1.00 25.00 H new ATOM 856 N ILE A 56 6.035 -11.505 -15.516 1.00 25.00 N ATOM 857 CA ILE A 56 7.288 -11.715 -16.230 1.00 25.00 C ATOM 858 C ILE A 56 7.034 -12.575 -17.468 1.00 25.00 C ATOM 859 O ILE A 56 6.181 -13.470 -17.466 1.00 25.00 O ATOM 860 CB ILE A 56 8.389 -12.354 -15.308 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.024 -13.800 -14.897 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.593 -11.465 -14.053 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.130 -14.547 -14.133 1.00 25.00 C ATOM 0 H ILE A 56 5.919 -12.092 -14.690 1.00 25.00 H new ATOM 0 HA ILE A 56 7.671 -10.744 -16.544 1.00 25.00 H new ATOM 0 HB ILE A 56 9.320 -12.406 -15.872 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.128 -13.772 -14.277 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.774 -14.367 -15.794 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.356 -11.908 -13.414 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.911 -10.469 -14.361 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.655 -11.393 -13.502 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.787 -15.552 -13.886 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.022 -14.612 -14.756 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.366 -14.008 -13.215 1.00 25.00 H new ATOM 875 N VAL A 57 7.740 -12.249 -18.540 1.00 25.00 N ATOM 876 CA VAL A 57 7.607 -12.934 -19.825 1.00 25.00 C ATOM 877 C VAL A 57 8.999 -13.054 -20.442 1.00 25.00 C ATOM 878 O VAL A 57 9.750 -12.072 -20.453 1.00 25.00 O ATOM 879 CB VAL A 57 6.718 -12.097 -20.797 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.622 -12.757 -22.169 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.318 -11.904 -20.217 1.00 25.00 C ATOM 0 H VAL A 57 8.428 -11.496 -18.547 1.00 25.00 H new ATOM 0 HA VAL A 57 7.150 -13.911 -19.669 1.00 25.00 H new ATOM 0 HB VAL A 57 7.192 -11.123 -20.916 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.996 -12.149 -22.822 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.619 -12.845 -22.601 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.182 -13.749 -22.066 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.715 -11.318 -20.910 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.851 -12.877 -20.062 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.388 -11.379 -19.264 1.00 25.00 H new ATOM 891 N PRO A 58 9.371 -14.233 -20.978 1.00 25.00 N ATOM 892 CA PRO A 58 10.687 -14.223 -21.626 1.00 25.00 C ATOM 893 C PRO A 58 10.646 -13.451 -22.955 1.00 25.00 C ATOM 894 O PRO A 58 9.914 -13.803 -23.883 1.00 25.00 O ATOM 895 CB PRO A 58 10.982 -15.710 -21.825 1.00 25.00 C ATOM 896 CG PRO A 58 9.638 -16.337 -21.977 1.00 25.00 C ATOM 897 CD PRO A 58 8.714 -15.552 -21.083 1.00 25.00 C ATOM 0 HA PRO A 58 11.458 -13.720 -21.043 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.601 -15.878 -22.706 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.521 -16.126 -20.973 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.304 -16.299 -23.014 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.662 -17.388 -21.688 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.715 -15.470 -21.512 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.604 -16.024 -20.107 1.00 25.00 H new ATOM 905 N GLY A 59 11.443 -12.397 -23.041 1.00 25.00 N ATOM 906 CA GLY A 59 11.469 -11.526 -24.205 1.00 25.00 C ATOM 907 C GLY A 59 11.973 -12.191 -25.463 1.00 25.00 C ATOM 908 O GLY A 59 11.698 -11.738 -26.562 1.00 25.00 O ATOM 0 H GLY A 59 12.091 -12.121 -22.303 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.462 -11.148 -24.385 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.099 -10.664 -23.986 1.00 25.00 H new ATOM 912 N ASN A 60 12.666 -13.308 -25.309 1.00 25.00 N ATOM 913 CA ASN A 60 13.119 -14.097 -26.456 1.00 25.00 C ATOM 914 C ASN A 60 11.913 -14.608 -27.261 1.00 25.00 C ATOM 915 O ASN A 60 11.983 -14.756 -28.474 1.00 25.00 O ATOM 916 CB ASN A 60 13.962 -15.277 -25.963 1.00 25.00 C ATOM 917 CG ASN A 60 14.528 -16.093 -27.099 1.00 25.00 C ATOM 918 OD1 ASN A 60 13.936 -17.065 -27.526 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.687 -15.719 -27.570 1.00 25.00 N ATOM 0 H ASN A 60 12.930 -13.693 -24.402 1.00 25.00 H new ATOM 0 HA ASN A 60 13.726 -13.467 -27.106 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.779 -14.904 -25.345 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.350 -15.918 -25.329 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.127 -16.249 -28.323 1.00 25.00 H new ATOM 0 HD22 ASN A 60 16.153 -14.897 -27.185 1.00 25.00 H new ATOM 926 N ARG A 61 10.797 -14.831 -26.575 1.00 25.00 N ATOM 927 CA ARG A 61 9.565 -15.303 -27.219 1.00 25.00 C ATOM 928 C ARG A 61 8.677 -14.144 -27.675 1.00 25.00 C ATOM 929 O ARG A 61 7.524 -14.361 -28.057 1.00 25.00 O ATOM 930 CB ARG A 61 8.783 -16.202 -26.251 1.00 25.00 C ATOM 931 CG ARG A 61 9.513 -17.500 -25.917 1.00 25.00 C ATOM 932 CD ARG A 61 8.569 -18.512 -25.274 1.00 25.00 C ATOM 933 NE ARG A 61 9.254 -19.794 -25.011 1.00 25.00 N ATOM 934 CZ ARG A 61 9.382 -20.377 -23.823 1.00 25.00 C ATOM 935 NH1 ARG A 61 8.888 -19.864 -22.723 1.00 25.00 N ATOM 936 NH2 ARG A 61 10.022 -21.511 -23.742 1.00 25.00 N ATOM 0 H ARG A 61 10.715 -14.693 -25.568 1.00 25.00 H new ATOM 0 HA ARG A 61 9.853 -15.870 -28.104 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.591 -15.653 -25.329 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.813 -16.440 -26.688 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.941 -17.924 -26.825 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.342 -17.291 -25.241 1.00 25.00 H new ATOM 0 HD2 ARG A 61 8.180 -18.107 -24.340 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.714 -18.682 -25.928 1.00 25.00 H new ATOM 0 HE ARG A 61 9.665 -20.274 -25.811 1.00 25.00 H new ATOM 0 HH11 ARG A 61 8.380 -18.980 -22.756 1.00 25.00 H new ATOM 0 HH12 ARG A 61 9.012 -20.348 -21.834 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.415 -21.936 -24.582 1.00 25.00 H new ATOM 0 HH22 ARG A 61 10.130 -21.972 -22.839 1.00 25.00 H new ATOM 950 N LEU A 62 9.198 -12.926 -27.634 1.00 25.00 N ATOM 951 CA LEU A 62 8.440 -11.739 -28.030 1.00 25.00 C ATOM 952 C LEU A 62 9.086 -11.050 -29.224 1.00 25.00 C ATOM 953 O LEU A 62 10.295 -11.101 -29.411 1.00 25.00 O ATOM 954 CB LEU A 62 8.379 -10.732 -26.870 1.00 25.00 C ATOM 955 CG LEU A 62 7.694 -11.166 -25.566 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.735 -10.011 -24.569 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.252 -11.582 -25.818 1.00 25.00 C ATOM 0 H LEU A 62 10.151 -12.729 -27.328 1.00 25.00 H new ATOM 0 HA LEU A 62 7.436 -12.068 -28.298 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.401 -10.441 -26.628 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.870 -9.838 -27.232 1.00 25.00 H new ATOM 0 HG LEU A 62 8.227 -12.026 -25.160 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.250 -10.314 -23.641 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.772 -9.743 -24.366 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.213 -9.151 -24.987 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.791 -11.885 -24.878 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.699 -10.742 -26.239 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.231 -12.418 -26.518 1.00 25.00 H new ATOM 969 N LYS A 63 8.272 -10.358 -30.008 1.00 25.00 N ATOM 970 CA LYS A 63 8.769 -9.557 -31.127 1.00 25.00 C ATOM 971 C LYS A 63 8.278 -8.129 -30.973 1.00 25.00 C ATOM 972 O LYS A 63 7.076 -7.889 -30.967 1.00 25.00 O ATOM 973 CB LYS A 63 8.287 -10.152 -32.455 1.00 25.00 C ATOM 974 CG LYS A 63 8.859 -9.472 -33.706 1.00 25.00 C ATOM 975 CD LYS A 63 10.364 -9.736 -33.867 1.00 25.00 C ATOM 976 CE LYS A 63 10.945 -8.987 -35.069 1.00 25.00 C ATOM 977 NZ LYS A 63 10.359 -9.445 -36.377 1.00 25.00 N ATOM 0 H LYS A 63 7.259 -10.333 -29.892 1.00 25.00 H new ATOM 0 HA LYS A 63 9.859 -9.563 -31.127 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.550 -11.210 -32.480 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.199 -10.093 -32.491 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.331 -9.833 -34.589 1.00 25.00 H new ATOM 0 HG3 LYS A 63 8.684 -8.398 -33.647 1.00 25.00 H new ATOM 0 HD2 LYS A 63 10.886 -9.430 -32.960 1.00 25.00 H new ATOM 0 HD3 LYS A 63 10.535 -10.806 -33.988 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.764 -7.919 -34.949 1.00 25.00 H new ATOM 0 HE3 LYS A 63 12.026 -9.126 -35.091 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 10.846 -8.967 -37.162 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 10.479 -10.474 -36.470 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 9.346 -9.211 -36.405 1.00 25.00 H new ATOM 991 N ILE A 64 9.212 -7.199 -30.833 1.00 25.00 N ATOM 992 CA ILE A 64 8.896 -5.774 -30.670 1.00 25.00 C ATOM 993 C ILE A 64 8.068 -5.296 -31.864 1.00 25.00 C ATOM 994 O ILE A 64 8.344 -5.674 -33.009 1.00 25.00 O ATOM 995 CB ILE A 64 10.206 -4.916 -30.565 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.104 -5.409 -29.402 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.882 -3.410 -30.376 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.486 -5.302 -27.981 1.00 25.00 C ATOM 0 H ILE A 64 10.211 -7.404 -30.828 1.00 25.00 H new ATOM 0 HA ILE A 64 8.328 -5.650 -29.748 1.00 25.00 H new ATOM 0 HB ILE A 64 10.747 -5.039 -31.503 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.366 -6.451 -29.586 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.033 -4.839 -29.418 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.811 -2.844 -30.307 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.302 -3.053 -31.227 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.305 -3.274 -29.461 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.199 -5.674 -27.245 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.251 -4.260 -27.764 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.574 -5.897 -27.935 1.00 25.00 H new