USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 CYS SG : rot -115:sc= 0.24 USER MOD Set 1.2: A 26 HIS : no HD1:sc= 0.768 K(o=1.4,f=-4.4) USER MOD Set 1.3: A 44 CYS SG : rot 116:sc= 0.385 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 163:sc= 0.982 (180deg=0) USER MOD Set 2.2: A 48 ASN : amide:sc= -1.94 K(o=-0.96,f=-3.9) USER MOD Set 3.1: A 9 CYS SG : rot 90:sc= -1.18! USER MOD Set 3.2: A 12 CYS SG : rot -66:sc= 0.442 USER MOD Set 3.3: A 14 MET CE :methyl 163:sc= -1.5 (180deg=-1.94!) USER MOD Set 3.4: A 29 CYS SG : rot 136:sc= 0.368 USER MOD Set 3.5: A 32 CYS SG : rot -165:sc= -1.08! USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 22 THR OG1 : rot -77:sc= 1.01 USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= -0.0586 (180deg=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= -0.0179 (180deg=-0.108) USER MOD Single : A 36 SER OG : rot 76:sc= 1.23 USER MOD Single : A 42 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-2.6!) USER MOD Single : A 54 ASN : amide:sc=-0.000534 K(o=-0.00053,f=-2.1) USER MOD Single : A 55 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 12.841 -18.043 -15.058 1.00 0.00 N ATOM 105 CA GLU A 8 11.961 -18.872 -15.841 1.00 0.00 C ATOM 106 C GLU A 8 10.850 -18.028 -16.426 1.00 0.00 C ATOM 107 O GLU A 8 10.452 -17.024 -15.838 1.00 0.00 O ATOM 108 CB GLU A 8 11.377 -19.960 -14.939 1.00 0.00 C ATOM 109 CG GLU A 8 10.513 -20.993 -15.640 1.00 0.00 C ATOM 110 CD GLU A 8 10.026 -22.050 -14.690 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.982 -21.852 -14.041 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.693 -23.097 -14.579 1.00 0.00 O ATOM 0 HA GLU A 8 12.514 -19.334 -16.659 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.199 -20.476 -14.442 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.783 -19.482 -14.160 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.659 -20.499 -16.103 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.084 -21.460 -16.442 1.00 0.00 H new ATOM 119 N CYS A 9 10.367 -18.425 -17.572 1.00 0.00 N ATOM 120 CA CYS A 9 9.286 -17.741 -18.216 1.00 0.00 C ATOM 121 C CYS A 9 7.969 -18.329 -17.721 1.00 0.00 C ATOM 122 O CYS A 9 7.647 -19.471 -18.029 1.00 0.00 O ATOM 123 CB CYS A 9 9.427 -17.922 -19.727 1.00 0.00 C ATOM 124 SG CYS A 9 8.158 -17.116 -20.762 1.00 0.00 S ATOM 0 H CYS A 9 10.715 -19.235 -18.085 1.00 0.00 H new ATOM 0 HA CYS A 9 9.304 -16.676 -17.983 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.404 -17.543 -20.027 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.419 -18.990 -19.946 1.00 0.00 H new ATOM 0 HG CYS A 9 8.545 -15.912 -21.064 1.00 0.00 H new ATOM 129 N PRO A 10 7.195 -17.567 -16.926 1.00 0.00 N ATOM 130 CA PRO A 10 5.931 -18.044 -16.351 1.00 0.00 C ATOM 131 C PRO A 10 4.878 -18.290 -17.419 1.00 0.00 C ATOM 132 O PRO A 10 3.891 -18.977 -17.185 1.00 0.00 O ATOM 133 CB PRO A 10 5.503 -16.903 -15.425 1.00 0.00 C ATOM 134 CG PRO A 10 6.167 -15.700 -15.989 1.00 0.00 C ATOM 135 CD PRO A 10 7.485 -16.176 -16.521 1.00 0.00 C ATOM 0 HA PRO A 10 6.048 -18.998 -15.837 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.419 -16.788 -15.411 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.818 -17.086 -14.398 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.564 -15.254 -16.780 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.306 -14.935 -15.225 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.822 -15.572 -17.363 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.267 -16.131 -15.763 1.00 0.00 H new ATOM 143 N ILE A 11 5.100 -17.717 -18.584 1.00 0.00 N ATOM 144 CA ILE A 11 4.178 -17.835 -19.696 1.00 0.00 C ATOM 145 C ILE A 11 4.106 -19.288 -20.192 1.00 0.00 C ATOM 146 O ILE A 11 3.025 -19.822 -20.438 1.00 0.00 O ATOM 147 CB ILE A 11 4.612 -16.895 -20.847 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.469 -15.439 -20.397 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.785 -17.148 -22.105 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.082 -14.440 -21.350 1.00 0.00 C ATOM 0 H ILE A 11 5.927 -17.155 -18.787 1.00 0.00 H new ATOM 0 HA ILE A 11 3.185 -17.542 -19.355 1.00 0.00 H new ATOM 0 HB ILE A 11 5.655 -17.098 -21.090 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.410 -15.209 -20.276 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.934 -15.324 -19.418 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.112 -16.474 -22.897 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.921 -18.180 -22.428 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.731 -16.971 -21.889 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.940 -13.432 -20.961 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.148 -14.642 -21.453 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.601 -14.524 -22.325 1.00 0.00 H new ATOM 162 N CYS A 12 5.255 -19.924 -20.312 1.00 0.00 N ATOM 163 CA CYS A 12 5.324 -21.281 -20.832 1.00 0.00 C ATOM 164 C CYS A 12 5.814 -22.262 -19.773 1.00 0.00 C ATOM 165 O CYS A 12 5.787 -23.481 -19.983 1.00 0.00 O ATOM 166 CB CYS A 12 6.277 -21.297 -22.003 1.00 0.00 C ATOM 167 SG CYS A 12 7.916 -20.612 -21.597 1.00 0.00 S ATOM 0 H CYS A 12 6.158 -19.524 -20.056 1.00 0.00 H new ATOM 0 HA CYS A 12 4.324 -21.589 -21.138 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.395 -22.322 -22.354 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.844 -20.726 -22.824 1.00 0.00 H new ATOM 0 HG CYS A 12 7.802 -19.346 -21.327 1.00 0.00 H new ATOM 172 N LEU A 13 6.252 -21.719 -18.640 1.00 0.00 N ATOM 173 CA LEU A 13 6.895 -22.479 -17.567 1.00 0.00 C ATOM 174 C LEU A 13 8.123 -23.232 -18.090 1.00 0.00 C ATOM 175 O LEU A 13 8.446 -24.324 -17.626 1.00 0.00 O ATOM 176 CB LEU A 13 5.902 -23.446 -16.893 1.00 0.00 C ATOM 177 CG LEU A 13 4.672 -22.806 -16.237 1.00 0.00 C ATOM 178 CD1 LEU A 13 3.753 -23.872 -15.660 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.091 -21.809 -15.166 1.00 0.00 C ATOM 0 H LEU A 13 6.170 -20.723 -18.437 1.00 0.00 H new ATOM 0 HA LEU A 13 7.230 -21.768 -16.812 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.558 -24.160 -17.641 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.439 -24.014 -16.133 1.00 0.00 H new ATOM 0 HG LEU A 13 4.118 -22.264 -17.004 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.887 -23.396 -15.200 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.420 -24.536 -16.458 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.292 -24.449 -14.909 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.203 -21.367 -14.713 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.672 -22.321 -14.399 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.698 -21.024 -15.617 1.00 0.00 H new ATOM 191 N MET A 14 8.821 -22.622 -19.038 1.00 0.00 N ATOM 192 CA MET A 14 10.038 -23.196 -19.601 1.00 0.00 C ATOM 193 C MET A 14 11.213 -22.277 -19.324 1.00 0.00 C ATOM 194 O MET A 14 11.024 -21.110 -18.949 1.00 0.00 O ATOM 195 CB MET A 14 9.921 -23.419 -21.120 1.00 0.00 C ATOM 196 CG MET A 14 8.804 -24.363 -21.545 1.00 0.00 C ATOM 197 SD MET A 14 8.844 -24.760 -23.313 1.00 0.00 S ATOM 198 CE MET A 14 8.579 -23.151 -24.059 1.00 0.00 C ATOM 0 H MET A 14 8.562 -21.720 -19.438 1.00 0.00 H new ATOM 0 HA MET A 14 10.192 -24.165 -19.127 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.765 -22.454 -21.603 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.869 -23.811 -21.489 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.878 -25.286 -20.970 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.842 -23.911 -21.302 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.875 -23.183 -25.108 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.524 -22.886 -23.987 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.177 -22.405 -23.536 1.00 0.00 H new ATOM 208 N ALA A 15 12.417 -22.806 -19.480 1.00 0.00 N ATOM 209 CA ALA A 15 13.627 -22.013 -19.344 1.00 0.00 C ATOM 210 C ALA A 15 13.649 -20.914 -20.400 1.00 0.00 C ATOM 211 O ALA A 15 13.079 -21.078 -21.485 1.00 0.00 O ATOM 212 CB ALA A 15 14.857 -22.895 -19.461 1.00 0.00 C ATOM 0 H ALA A 15 12.581 -23.788 -19.702 1.00 0.00 H new ATOM 0 HA ALA A 15 13.636 -21.549 -18.358 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.754 -22.284 -19.357 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.839 -23.650 -18.675 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.862 -23.384 -20.435 1.00 0.00 H new ATOM 218 N LEU A 16 14.324 -19.818 -20.097 1.00 0.00 N ATOM 219 CA LEU A 16 14.252 -18.627 -20.929 1.00 0.00 C ATOM 220 C LEU A 16 14.943 -18.852 -22.263 1.00 0.00 C ATOM 221 O LEU A 16 16.138 -19.132 -22.318 1.00 0.00 O ATOM 222 CB LEU A 16 14.933 -17.455 -20.213 1.00 0.00 C ATOM 223 CG LEU A 16 14.342 -17.035 -18.868 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.175 -15.922 -18.253 1.00 0.00 C ATOM 225 CD2 LEU A 16 12.909 -16.582 -19.046 1.00 0.00 C ATOM 0 H LEU A 16 14.929 -19.727 -19.281 1.00 0.00 H new ATOM 0 HA LEU A 16 13.200 -18.403 -21.107 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.981 -17.713 -20.058 1.00 0.00 H new ATOM 0 HB3 LEU A 16 14.912 -16.592 -20.878 1.00 0.00 H new ATOM 0 HG LEU A 16 14.356 -17.893 -18.195 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.744 -15.632 -17.295 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.195 -16.273 -18.100 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.184 -15.062 -18.923 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.499 -16.285 -18.081 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.878 -15.734 -19.730 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.317 -17.400 -19.456 1.00 0.00 H new ATOM 237 N ARG A 17 14.187 -18.727 -23.337 1.00 0.00 N ATOM 238 CA ARG A 17 14.735 -18.845 -24.674 1.00 0.00 C ATOM 239 C ARG A 17 15.161 -17.479 -25.191 1.00 0.00 C ATOM 240 O ARG A 17 14.322 -16.585 -25.356 1.00 0.00 O ATOM 241 CB ARG A 17 13.723 -19.505 -25.620 1.00 0.00 C ATOM 242 CG ARG A 17 14.161 -19.544 -27.076 1.00 0.00 C ATOM 243 CD ARG A 17 15.443 -20.327 -27.263 1.00 0.00 C ATOM 244 NE ARG A 17 15.848 -20.344 -28.663 1.00 0.00 N ATOM 245 CZ ARG A 17 17.101 -20.446 -29.097 1.00 0.00 C ATOM 246 NH1 ARG A 17 18.103 -20.528 -28.225 1.00 0.00 N ATOM 247 NH2 ARG A 17 17.351 -20.464 -30.400 1.00 0.00 N ATOM 0 H ARG A 17 13.184 -18.542 -23.308 1.00 0.00 H new ATOM 0 HA ARG A 17 15.617 -19.484 -24.634 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.538 -20.524 -25.281 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.776 -18.969 -25.552 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.372 -19.992 -27.680 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.302 -18.526 -27.439 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.234 -19.885 -26.658 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.304 -21.348 -26.909 1.00 0.00 H new ATOM 0 HE ARG A 17 15.112 -20.272 -29.366 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.910 -20.513 -27.224 1.00 0.00 H new ATOM 0 HH12 ARG A 17 19.064 -20.606 -28.558 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.583 -20.400 -31.068 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.312 -20.542 -30.734 1.00 0.00 H new ATOM 261 N GLU A 18 16.475 -17.323 -25.417 1.00 0.00 N ATOM 262 CA GLU A 18 17.104 -16.065 -25.881 1.00 0.00 C ATOM 263 C GLU A 18 17.081 -14.957 -24.822 1.00 0.00 C ATOM 264 O GLU A 18 17.832 -13.987 -24.931 1.00 0.00 O ATOM 265 CB GLU A 18 16.508 -15.580 -27.207 1.00 0.00 C ATOM 266 CG GLU A 18 16.893 -16.433 -28.400 1.00 0.00 C ATOM 267 CD GLU A 18 18.385 -16.389 -28.669 1.00 0.00 C ATOM 268 OE1 GLU A 18 18.930 -15.272 -28.819 1.00 0.00 O ATOM 269 OE2 GLU A 18 19.020 -17.453 -28.727 1.00 0.00 O ATOM 0 H GLU A 18 17.147 -18.078 -25.281 1.00 0.00 H new ATOM 0 HA GLU A 18 18.153 -16.305 -26.057 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.422 -15.562 -27.121 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.831 -14.554 -27.386 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.586 -17.464 -28.223 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.355 -16.087 -29.282 1.00 0.00 H new ATOM 276 N ALA A 19 16.235 -15.140 -23.803 1.00 0.00 N ATOM 277 CA ALA A 19 16.118 -14.257 -22.636 1.00 0.00 C ATOM 278 C ALA A 19 16.027 -12.774 -22.998 1.00 0.00 C ATOM 279 O ALA A 19 17.036 -12.096 -23.121 1.00 0.00 O ATOM 280 CB ALA A 19 17.253 -14.501 -21.649 1.00 0.00 C ATOM 0 H ALA A 19 15.592 -15.931 -23.766 1.00 0.00 H new ATOM 0 HA ALA A 19 15.171 -14.515 -22.161 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.142 -13.834 -20.794 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.222 -15.536 -21.308 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.208 -14.308 -22.138 1.00 0.00 H new ATOM 286 N VAL A 20 14.831 -12.274 -23.162 1.00 0.00 N ATOM 287 CA VAL A 20 14.657 -10.862 -23.422 1.00 0.00 C ATOM 288 C VAL A 20 14.218 -10.135 -22.166 1.00 0.00 C ATOM 289 O VAL A 20 13.166 -10.433 -21.584 1.00 0.00 O ATOM 290 CB VAL A 20 13.706 -10.561 -24.611 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.345 -11.010 -25.913 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.360 -11.243 -24.436 1.00 0.00 C ATOM 0 H VAL A 20 13.967 -12.815 -23.121 1.00 0.00 H new ATOM 0 HA VAL A 20 15.634 -10.484 -23.724 1.00 0.00 H new ATOM 0 HB VAL A 20 13.537 -9.485 -24.638 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.671 -10.795 -26.742 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.284 -10.476 -26.061 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.540 -12.082 -25.872 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.720 -11.010 -25.287 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.504 -12.322 -24.375 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.888 -10.888 -23.520 1.00 0.00 H new ATOM 302 N GLN A 21 15.057 -9.232 -21.712 1.00 0.00 N ATOM 303 CA GLN A 21 14.774 -8.467 -20.528 1.00 0.00 C ATOM 304 C GLN A 21 13.852 -7.299 -20.839 1.00 0.00 C ATOM 305 O GLN A 21 14.032 -6.584 -21.834 1.00 0.00 O ATOM 306 CB GLN A 21 16.058 -7.985 -19.845 1.00 0.00 C ATOM 307 CG GLN A 21 15.807 -7.178 -18.573 1.00 0.00 C ATOM 308 CD GLN A 21 17.079 -6.791 -17.855 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.073 -7.508 -17.900 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.065 -5.650 -17.209 1.00 0.00 N ATOM 0 H GLN A 21 15.950 -9.011 -22.153 1.00 0.00 H new ATOM 0 HA GLN A 21 14.260 -9.128 -19.830 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.676 -8.849 -19.601 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.626 -7.374 -20.547 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.251 -6.275 -18.826 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.179 -7.760 -17.899 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.218 -5.082 -17.195 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.901 -5.330 -16.720 1.00 0.00 H new ATOM 319 N THR A 22 12.864 -7.136 -20.008 1.00 0.00 N ATOM 320 CA THR A 22 11.962 -6.022 -20.090 1.00 0.00 C ATOM 321 C THR A 22 12.543 -4.856 -19.282 1.00 0.00 C ATOM 322 O THR A 22 13.390 -5.071 -18.417 1.00 0.00 O ATOM 323 CB THR A 22 10.597 -6.418 -19.477 1.00 0.00 C ATOM 324 OG1 THR A 22 10.785 -6.838 -18.118 1.00 0.00 O ATOM 325 CG2 THR A 22 9.966 -7.559 -20.253 1.00 0.00 C ATOM 0 H THR A 22 12.659 -7.780 -19.244 1.00 0.00 H new ATOM 0 HA THR A 22 11.829 -5.734 -21.133 1.00 0.00 H new ATOM 0 HB THR A 22 9.940 -5.550 -19.521 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.151 -7.747 -18.104 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.008 -7.819 -19.803 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.810 -7.253 -21.287 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.626 -8.426 -20.227 1.00 0.00 H new ATOM 333 N PRO A 23 12.087 -3.613 -19.531 1.00 0.00 N ATOM 334 CA PRO A 23 12.468 -2.450 -18.704 1.00 0.00 C ATOM 335 C PRO A 23 11.980 -2.618 -17.262 1.00 0.00 C ATOM 336 O PRO A 23 12.436 -1.928 -16.345 1.00 0.00 O ATOM 337 CB PRO A 23 11.751 -1.276 -19.386 1.00 0.00 C ATOM 338 CG PRO A 23 10.656 -1.910 -20.167 1.00 0.00 C ATOM 339 CD PRO A 23 11.213 -3.218 -20.646 1.00 0.00 C ATOM 0 HA PRO A 23 13.547 -2.313 -18.639 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.359 -0.571 -18.653 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.429 -0.719 -20.033 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.771 -2.063 -19.550 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.356 -1.281 -21.005 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.428 -3.952 -20.827 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.767 -3.107 -21.578 1.00 0.00 H new ATOM 347 N CYS A 24 11.026 -3.525 -17.092 1.00 0.00 N ATOM 348 CA CYS A 24 10.503 -3.911 -15.801 1.00 0.00 C ATOM 349 C CYS A 24 11.558 -4.705 -15.010 1.00 0.00 C ATOM 350 O CYS A 24 11.504 -4.790 -13.780 1.00 0.00 O ATOM 351 CB CYS A 24 9.245 -4.758 -16.010 1.00 0.00 C ATOM 352 SG CYS A 24 8.344 -5.188 -14.495 1.00 0.00 S ATOM 0 H CYS A 24 10.589 -4.020 -17.870 1.00 0.00 H new ATOM 0 HA CYS A 24 10.252 -3.019 -15.227 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.570 -4.219 -16.675 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.527 -5.679 -16.520 1.00 0.00 H new ATOM 0 HG CYS A 24 8.379 -6.476 -14.320 1.00 0.00 H new ATOM 357 N GLY A 25 12.517 -5.273 -15.722 1.00 0.00 N ATOM 358 CA GLY A 25 13.560 -6.040 -15.080 1.00 0.00 C ATOM 359 C GLY A 25 13.288 -7.525 -15.116 1.00 0.00 C ATOM 360 O GLY A 25 14.065 -8.319 -14.591 1.00 0.00 O ATOM 0 H GLY A 25 12.591 -5.216 -16.738 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.512 -5.836 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.660 -5.717 -14.044 1.00 0.00 H new ATOM 364 N HIS A 26 12.196 -7.906 -15.745 1.00 0.00 N ATOM 365 CA HIS A 26 11.838 -9.312 -15.859 1.00 0.00 C ATOM 366 C HIS A 26 12.282 -9.855 -17.202 1.00 0.00 C ATOM 367 O HIS A 26 12.124 -9.190 -18.229 1.00 0.00 O ATOM 368 CB HIS A 26 10.326 -9.527 -15.680 1.00 0.00 C ATOM 369 CG HIS A 26 9.818 -9.253 -14.298 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.890 -8.265 -14.006 1.00 0.00 N ATOM 371 CD2 HIS A 26 10.106 -9.855 -13.118 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.639 -8.283 -12.703 1.00 0.00 C ATOM 373 NE2 HIS A 26 9.359 -9.234 -12.150 1.00 0.00 N ATOM 0 H HIS A 26 11.538 -7.264 -16.187 1.00 0.00 H new ATOM 0 HA HIS A 26 12.350 -9.851 -15.062 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.795 -8.885 -16.382 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.085 -10.556 -15.945 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.796 -10.672 -12.968 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.957 -7.626 -12.184 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.362 -9.472 -11.158 1.00 0.00 H new ATOM 380 N ARG A 27 12.855 -11.038 -17.195 1.00 0.00 N ATOM 381 CA ARG A 27 13.320 -11.672 -18.411 1.00 0.00 C ATOM 382 C ARG A 27 12.335 -12.748 -18.841 1.00 0.00 C ATOM 383 O ARG A 27 11.858 -13.522 -18.016 1.00 0.00 O ATOM 384 CB ARG A 27 14.714 -12.275 -18.189 1.00 0.00 C ATOM 385 CG ARG A 27 15.808 -11.237 -17.959 1.00 0.00 C ATOM 386 CD ARG A 27 17.146 -11.896 -17.654 1.00 0.00 C ATOM 387 NE ARG A 27 18.226 -10.917 -17.430 1.00 0.00 N ATOM 388 CZ ARG A 27 18.536 -10.372 -16.246 1.00 0.00 C ATOM 389 NH1 ARG A 27 17.770 -10.583 -15.187 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.608 -9.591 -16.137 1.00 0.00 N ATOM 0 H ARG A 27 13.012 -11.587 -16.350 1.00 0.00 H new ATOM 0 HA ARG A 27 13.388 -10.925 -19.202 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.676 -12.945 -17.330 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.979 -12.881 -19.055 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.905 -10.607 -18.843 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.525 -10.585 -17.132 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.043 -12.525 -16.770 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.421 -12.551 -18.481 1.00 0.00 H new ATOM 0 HE ARG A 27 18.779 -10.633 -18.238 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.936 -11.165 -15.269 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.014 -10.164 -14.290 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.191 -9.409 -16.954 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.846 -9.175 -15.237 1.00 0.00 H new ATOM 404 N PHE A 28 12.026 -12.777 -20.118 1.00 0.00 N ATOM 405 CA PHE A 28 11.084 -13.734 -20.683 1.00 0.00 C ATOM 406 C PHE A 28 11.676 -14.322 -21.950 1.00 0.00 C ATOM 407 O PHE A 28 12.684 -13.817 -22.451 1.00 0.00 O ATOM 408 CB PHE A 28 9.744 -13.060 -21.021 1.00 0.00 C ATOM 409 CG PHE A 28 9.006 -12.470 -19.843 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.155 -13.246 -19.077 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.157 -11.134 -19.516 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.472 -12.701 -18.005 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.478 -10.586 -18.449 1.00 0.00 C ATOM 414 CZ PHE A 28 7.635 -11.369 -17.692 1.00 0.00 C ATOM 0 H PHE A 28 12.421 -12.134 -20.804 1.00 0.00 H new ATOM 0 HA PHE A 28 10.901 -14.516 -19.946 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.927 -12.269 -21.748 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.098 -13.794 -21.504 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.022 -14.290 -19.319 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.816 -10.512 -20.105 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.812 -13.319 -17.414 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.607 -9.542 -18.206 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.103 -10.940 -16.855 1.00 0.00 H new ATOM 424 N CYS A 29 11.090 -15.398 -22.449 1.00 0.00 N ATOM 425 CA CYS A 29 11.510 -15.940 -23.723 1.00 0.00 C ATOM 426 C CYS A 29 11.189 -14.947 -24.826 1.00 0.00 C ATOM 427 O CYS A 29 10.201 -14.210 -24.744 1.00 0.00 O ATOM 428 CB CYS A 29 10.806 -17.252 -24.016 1.00 0.00 C ATOM 429 SG CYS A 29 10.974 -18.519 -22.720 1.00 0.00 S ATOM 0 H CYS A 29 10.331 -15.906 -21.995 1.00 0.00 H new ATOM 0 HA CYS A 29 12.584 -16.122 -23.680 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.746 -17.052 -24.172 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.195 -17.656 -24.951 1.00 0.00 H new ATOM 0 HG CYS A 29 9.822 -19.084 -22.514 1.00 0.00 H new ATOM 434 N LYS A 30 11.993 -14.973 -25.864 1.00 0.00 N ATOM 435 CA LYS A 30 11.914 -14.012 -26.957 1.00 0.00 C ATOM 436 C LYS A 30 10.618 -14.157 -27.777 1.00 0.00 C ATOM 437 O LYS A 30 10.299 -13.309 -28.600 1.00 0.00 O ATOM 438 CB LYS A 30 13.142 -14.166 -27.861 1.00 0.00 C ATOM 439 CG LYS A 30 13.230 -13.158 -28.993 1.00 0.00 C ATOM 440 CD LYS A 30 14.458 -13.385 -29.840 1.00 0.00 C ATOM 441 CE LYS A 30 14.545 -12.364 -30.961 1.00 0.00 C ATOM 442 NZ LYS A 30 13.353 -12.416 -31.844 1.00 0.00 N ATOM 0 H LYS A 30 12.731 -15.667 -25.981 1.00 0.00 H new ATOM 0 HA LYS A 30 11.897 -13.013 -26.521 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.040 -14.082 -27.248 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.139 -15.170 -28.286 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.338 -13.230 -29.616 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.251 -12.149 -28.582 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.350 -13.322 -29.217 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.433 -14.390 -30.261 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.640 -11.365 -30.536 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.443 -12.547 -31.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.551 -11.901 -32.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.128 -13.407 -32.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.544 -11.976 -31.361 1.00 0.00 H new ATOM 456 N ALA A 31 9.874 -15.218 -27.551 1.00 0.00 N ATOM 457 CA ALA A 31 8.649 -15.426 -28.303 1.00 0.00 C ATOM 458 C ALA A 31 7.428 -15.392 -27.401 1.00 0.00 C ATOM 459 O ALA A 31 6.393 -14.840 -27.772 1.00 0.00 O ATOM 460 CB ALA A 31 8.711 -16.739 -29.052 1.00 0.00 C ATOM 0 H ALA A 31 10.088 -15.941 -26.865 1.00 0.00 H new ATOM 0 HA ALA A 31 8.556 -14.610 -29.020 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.787 -16.883 -29.612 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.554 -16.725 -29.742 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.837 -17.557 -28.343 1.00 0.00 H new ATOM 466 N CYS A 32 7.564 -15.951 -26.205 1.00 0.00 N ATOM 467 CA CYS A 32 6.458 -16.057 -25.272 1.00 0.00 C ATOM 468 C CYS A 32 5.929 -14.687 -24.868 1.00 0.00 C ATOM 469 O CYS A 32 4.717 -14.464 -24.844 1.00 0.00 O ATOM 470 CB CYS A 32 6.902 -16.836 -24.042 1.00 0.00 C ATOM 471 SG CYS A 32 7.684 -18.437 -24.426 1.00 0.00 S ATOM 0 H CYS A 32 8.441 -16.341 -25.859 1.00 0.00 H new ATOM 0 HA CYS A 32 5.645 -16.587 -25.767 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.604 -16.227 -23.472 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.037 -17.009 -23.402 1.00 0.00 H new ATOM 0 HG CYS A 32 7.732 -19.166 -23.350 1.00 0.00 H new ATOM 476 N ILE A 33 6.833 -13.771 -24.559 1.00 0.00 N ATOM 477 CA ILE A 33 6.433 -12.437 -24.158 1.00 0.00 C ATOM 478 C ILE A 33 5.779 -11.686 -25.322 1.00 0.00 C ATOM 479 O ILE A 33 4.775 -11.012 -25.139 1.00 0.00 O ATOM 480 CB ILE A 33 7.602 -11.627 -23.534 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.106 -10.312 -22.921 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.707 -11.376 -24.542 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.144 -10.490 -21.760 1.00 0.00 C ATOM 0 H ILE A 33 7.841 -13.927 -24.579 1.00 0.00 H new ATOM 0 HA ILE A 33 5.687 -12.550 -23.371 1.00 0.00 H new ATOM 0 HB ILE A 33 8.021 -12.232 -22.730 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.966 -9.736 -22.580 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.616 -9.724 -23.697 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.508 -10.807 -24.070 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.100 -12.329 -24.896 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.309 -10.811 -25.385 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.842 -9.512 -21.385 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.264 -11.037 -22.097 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.635 -11.049 -20.963 1.00 0.00 H new ATOM 495 N ILE A 34 6.320 -11.862 -26.528 1.00 0.00 N ATOM 496 CA ILE A 34 5.773 -11.220 -27.718 1.00 0.00 C ATOM 497 C ILE A 34 4.349 -11.712 -27.986 1.00 0.00 C ATOM 498 O ILE A 34 3.440 -10.919 -28.250 1.00 0.00 O ATOM 499 CB ILE A 34 6.673 -11.415 -28.971 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.994 -10.657 -28.786 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.961 -10.945 -30.235 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.993 -10.874 -29.903 1.00 0.00 C ATOM 0 H ILE A 34 7.138 -12.445 -26.704 1.00 0.00 H new ATOM 0 HA ILE A 34 5.745 -10.149 -27.519 1.00 0.00 H new ATOM 0 HB ILE A 34 6.885 -12.478 -29.083 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.781 -9.591 -28.706 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.447 -10.963 -27.843 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.613 -11.093 -31.096 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.044 -11.519 -30.371 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.716 -9.887 -30.143 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.899 -10.304 -29.697 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.238 -11.934 -29.971 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.562 -10.540 -30.847 1.00 0.00 H new ATOM 514 N LYS A 35 4.144 -13.008 -27.845 1.00 0.00 N ATOM 515 CA LYS A 35 2.856 -13.620 -28.131 1.00 0.00 C ATOM 516 C LYS A 35 1.880 -13.382 -26.967 1.00 0.00 C ATOM 517 O LYS A 35 0.722 -13.781 -27.011 1.00 0.00 O ATOM 518 CB LYS A 35 3.041 -15.128 -28.400 1.00 0.00 C ATOM 519 CG LYS A 35 1.765 -15.888 -28.759 1.00 0.00 C ATOM 520 CD LYS A 35 1.179 -15.414 -30.080 1.00 0.00 C ATOM 521 CE LYS A 35 -0.146 -16.096 -30.382 1.00 0.00 C ATOM 522 NZ LYS A 35 -0.017 -17.574 -30.468 1.00 0.00 N ATOM 0 H LYS A 35 4.859 -13.664 -27.531 1.00 0.00 H new ATOM 0 HA LYS A 35 2.432 -13.160 -29.023 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.758 -15.250 -29.212 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.481 -15.587 -27.515 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.982 -16.955 -28.819 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.028 -15.757 -27.966 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.034 -14.334 -30.048 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.885 -15.617 -30.885 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.867 -15.842 -29.605 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.542 -15.713 -31.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.906 -17.980 -30.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.759 -17.818 -31.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.187 -17.960 -29.524 1.00 0.00 H new ATOM 536 N SER A 36 2.345 -12.725 -25.936 1.00 0.00 N ATOM 537 CA SER A 36 1.472 -12.372 -24.844 1.00 0.00 C ATOM 538 C SER A 36 1.140 -10.877 -24.868 1.00 0.00 C ATOM 539 O SER A 36 0.123 -10.454 -24.324 1.00 0.00 O ATOM 540 CB SER A 36 2.102 -12.777 -23.515 1.00 0.00 C ATOM 541 OG SER A 36 2.361 -14.177 -23.498 1.00 0.00 O ATOM 0 H SER A 36 3.314 -12.425 -25.828 1.00 0.00 H new ATOM 0 HA SER A 36 0.535 -12.917 -24.959 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.030 -12.227 -23.362 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.436 -12.513 -22.693 1.00 0.00 H new ATOM 0 HG SER A 36 3.147 -14.371 -24.050 1.00 0.00 H new ATOM 547 N ILE A 37 1.957 -10.087 -25.559 1.00 0.00 N ATOM 548 CA ILE A 37 1.772 -8.641 -25.538 1.00 0.00 C ATOM 549 C ILE A 37 1.117 -8.115 -26.803 1.00 0.00 C ATOM 550 O ILE A 37 0.465 -7.079 -26.778 1.00 0.00 O ATOM 551 CB ILE A 37 3.102 -7.887 -25.313 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.110 -8.247 -26.409 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.659 -8.187 -23.935 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.400 -7.466 -26.364 1.00 0.00 C ATOM 0 H ILE A 37 2.737 -10.415 -26.129 1.00 0.00 H new ATOM 0 HA ILE A 37 1.105 -8.452 -24.697 1.00 0.00 H new ATOM 0 HB ILE A 37 2.910 -6.815 -25.369 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.342 -9.309 -26.335 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.641 -8.090 -27.380 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.596 -7.647 -23.796 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.942 -7.872 -23.176 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.840 -9.258 -23.841 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.050 -7.790 -27.177 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.186 -6.403 -26.472 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.898 -7.641 -25.410 1.00 0.00 H new ATOM 566 N ARG A 38 1.275 -8.818 -27.903 1.00 0.00 N ATOM 567 CA ARG A 38 0.633 -8.387 -29.135 1.00 0.00 C ATOM 568 C ARG A 38 -0.599 -9.231 -29.426 1.00 0.00 C ATOM 569 O ARG A 38 -1.200 -9.137 -30.500 1.00 0.00 O ATOM 570 CB ARG A 38 1.609 -8.358 -30.313 1.00 0.00 C ATOM 571 CG ARG A 38 2.121 -9.711 -30.752 1.00 0.00 C ATOM 572 CD ARG A 38 3.118 -9.568 -31.889 1.00 0.00 C ATOM 573 NE ARG A 38 2.509 -9.003 -33.089 1.00 0.00 N ATOM 574 CZ ARG A 38 3.165 -8.716 -34.210 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.471 -8.950 -34.301 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.516 -8.197 -35.240 1.00 0.00 N ATOM 0 H ARG A 38 1.828 -9.672 -27.976 1.00 0.00 H new ATOM 0 HA ARG A 38 0.300 -7.359 -28.994 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.118 -7.880 -31.160 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.461 -7.734 -30.044 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.593 -10.217 -29.910 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.286 -10.335 -31.071 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.943 -8.932 -31.569 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.541 -10.545 -32.124 1.00 0.00 H new ATOM 0 HE ARG A 38 1.507 -8.814 -33.066 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.974 -9.351 -33.509 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.970 -8.728 -35.163 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.514 -8.018 -35.174 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.018 -7.976 -36.100 1.00 0.00 H new ATOM 590 N ASP A 39 -0.965 -10.056 -28.457 1.00 0.00 N ATOM 591 CA ASP A 39 -2.125 -10.921 -28.582 1.00 0.00 C ATOM 592 C ASP A 39 -3.194 -10.540 -27.566 1.00 0.00 C ATOM 593 O ASP A 39 -4.344 -10.296 -27.928 1.00 0.00 O ATOM 594 CB ASP A 39 -1.730 -12.389 -28.396 1.00 0.00 C ATOM 595 CG ASP A 39 -2.912 -13.328 -28.523 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.293 -13.667 -29.666 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.472 -13.739 -27.484 1.00 0.00 O ATOM 0 H ASP A 39 -0.470 -10.144 -27.569 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.532 -10.792 -29.585 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.977 -12.656 -29.137 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.272 -12.517 -27.415 1.00 0.00 H new ATOM 602 N ALA A 40 -2.812 -10.488 -26.301 1.00 0.00 N ATOM 603 CA ALA A 40 -3.730 -10.095 -25.242 1.00 0.00 C ATOM 604 C ALA A 40 -3.641 -8.594 -24.999 1.00 0.00 C ATOM 605 O ALA A 40 -4.589 -7.846 -25.259 1.00 0.00 O ATOM 606 CB ALA A 40 -3.430 -10.861 -23.961 1.00 0.00 C ATOM 0 H ALA A 40 -1.870 -10.713 -25.981 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.745 -10.338 -25.555 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.127 -10.553 -23.181 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.538 -11.930 -24.143 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.410 -10.649 -23.640 1.00 0.00 H new ATOM 612 N GLY A 41 -2.502 -8.158 -24.505 1.00 0.00 N ATOM 613 CA GLY A 41 -2.268 -6.754 -24.278 1.00 0.00 C ATOM 614 C GLY A 41 -0.826 -6.517 -23.951 1.00 0.00 C ATOM 615 O GLY A 41 -0.126 -7.448 -23.567 1.00 0.00 O ATOM 0 H GLY A 41 -1.721 -8.763 -24.252 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.546 -6.183 -25.164 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.897 -6.400 -23.461 1.00 0.00 H new ATOM 619 N HIS A 42 -0.375 -5.290 -24.079 1.00 0.00 N ATOM 620 CA HIS A 42 1.031 -4.986 -23.867 1.00 0.00 C ATOM 621 C HIS A 42 1.372 -4.848 -22.395 1.00 0.00 C ATOM 622 O HIS A 42 1.425 -3.739 -21.856 1.00 0.00 O ATOM 623 CB HIS A 42 1.476 -3.746 -24.656 1.00 0.00 C ATOM 624 CG HIS A 42 1.660 -3.992 -26.122 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.752 -3.611 -27.088 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.669 -4.590 -26.782 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.207 -3.966 -28.278 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.370 -4.563 -28.113 1.00 0.00 N ATOM 0 H HIS A 42 -0.953 -4.487 -24.327 1.00 0.00 H new ATOM 0 HA HIS A 42 1.591 -5.839 -24.251 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.737 -2.957 -24.520 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.414 -3.379 -24.239 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.557 -5.015 -26.338 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.711 -3.796 -29.222 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.952 -4.943 -28.859 1.00 0.00 H new ATOM 637 N LYS A 43 1.566 -5.980 -21.742 1.00 0.00 N ATOM 638 CA LYS A 43 1.915 -6.023 -20.336 1.00 0.00 C ATOM 639 C LYS A 43 2.733 -7.270 -20.028 1.00 0.00 C ATOM 640 O LYS A 43 2.642 -8.270 -20.744 1.00 0.00 O ATOM 641 CB LYS A 43 0.649 -6.029 -19.464 1.00 0.00 C ATOM 642 CG LYS A 43 -0.217 -7.273 -19.650 1.00 0.00 C ATOM 643 CD LYS A 43 -1.389 -7.312 -18.682 1.00 0.00 C ATOM 644 CE LYS A 43 -2.398 -6.205 -18.946 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.562 -6.305 -18.037 1.00 0.00 N ATOM 0 H LYS A 43 1.485 -6.899 -22.176 1.00 0.00 H new ATOM 0 HA LYS A 43 2.505 -5.135 -20.111 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.940 -5.952 -18.416 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.055 -5.145 -19.695 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.593 -7.301 -20.673 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.396 -8.164 -19.511 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.887 -8.279 -18.758 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.016 -7.224 -17.661 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.917 -5.235 -18.818 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.737 -6.259 -19.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.079 -5.403 -18.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.193 -7.065 -18.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.233 -6.517 -17.074 1.00 0.00 H new ATOM 659 N CYS A 44 3.534 -7.213 -18.983 1.00 0.00 N ATOM 660 CA CYS A 44 4.158 -8.410 -18.468 1.00 0.00 C ATOM 661 C CYS A 44 3.165 -9.115 -17.538 1.00 0.00 C ATOM 662 O CYS A 44 2.643 -8.506 -16.605 1.00 0.00 O ATOM 663 CB CYS A 44 5.491 -8.090 -17.755 1.00 0.00 C ATOM 664 SG CYS A 44 5.398 -6.837 -16.427 1.00 0.00 S ATOM 0 H CYS A 44 3.765 -6.357 -18.479 1.00 0.00 H new ATOM 0 HA CYS A 44 4.410 -9.077 -19.293 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.886 -9.013 -17.331 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.209 -7.749 -18.501 1.00 0.00 H new ATOM 0 HG CYS A 44 5.703 -7.387 -15.289 1.00 0.00 H new ATOM 669 N PRO A 45 2.877 -10.395 -17.779 1.00 0.00 N ATOM 670 CA PRO A 45 1.798 -11.114 -17.075 1.00 0.00 C ATOM 671 C PRO A 45 1.984 -11.201 -15.557 1.00 0.00 C ATOM 672 O PRO A 45 1.008 -11.298 -14.820 1.00 0.00 O ATOM 673 CB PRO A 45 1.835 -12.515 -17.704 1.00 0.00 C ATOM 674 CG PRO A 45 3.210 -12.631 -18.268 1.00 0.00 C ATOM 675 CD PRO A 45 3.558 -11.259 -18.758 1.00 0.00 C ATOM 0 HA PRO A 45 0.848 -10.592 -17.188 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.643 -13.289 -16.961 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.077 -12.623 -18.480 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.918 -12.969 -17.511 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.241 -13.357 -19.080 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.635 -11.092 -18.768 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.199 -11.086 -19.772 1.00 0.00 H new ATOM 683 N VAL A 46 3.229 -11.167 -15.096 1.00 0.00 N ATOM 684 CA VAL A 46 3.515 -11.312 -13.670 1.00 0.00 C ATOM 685 C VAL A 46 2.972 -10.128 -12.854 1.00 0.00 C ATOM 686 O VAL A 46 2.269 -10.314 -11.856 1.00 0.00 O ATOM 687 CB VAL A 46 5.042 -11.441 -13.414 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.353 -11.543 -11.921 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.616 -12.628 -14.163 1.00 0.00 C ATOM 0 H VAL A 46 4.053 -11.041 -15.683 1.00 0.00 H new ATOM 0 HA VAL A 46 3.012 -12.223 -13.346 1.00 0.00 H new ATOM 0 HB VAL A 46 5.516 -10.534 -13.790 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.430 -11.632 -11.779 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.993 -10.649 -11.412 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.858 -12.421 -11.505 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.686 -12.698 -13.968 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.126 -13.542 -13.827 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.449 -12.499 -15.232 1.00 0.00 H new ATOM 699 N ASP A 47 3.274 -8.920 -13.300 1.00 0.00 N ATOM 700 CA ASP A 47 2.983 -7.719 -12.509 1.00 0.00 C ATOM 701 C ASP A 47 2.286 -6.620 -13.315 1.00 0.00 C ATOM 702 O ASP A 47 2.078 -5.509 -12.813 1.00 0.00 O ATOM 703 CB ASP A 47 4.274 -7.184 -11.898 1.00 0.00 C ATOM 704 CG ASP A 47 5.359 -6.969 -12.924 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.801 -7.930 -13.579 1.00 0.00 O ATOM 706 OD2 ASP A 47 5.793 -5.842 -13.114 1.00 0.00 O ATOM 0 H ASP A 47 3.718 -8.737 -14.200 1.00 0.00 H new ATOM 0 HA ASP A 47 2.287 -8.014 -11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.068 -6.242 -11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.629 -7.883 -11.141 1.00 0.00 H new ATOM 711 N ASN A 48 1.924 -6.934 -14.551 1.00 0.00 N ATOM 712 CA ASN A 48 1.130 -6.040 -15.423 1.00 0.00 C ATOM 713 C ASN A 48 1.766 -4.682 -15.723 1.00 0.00 C ATOM 714 O ASN A 48 1.062 -3.667 -15.798 1.00 0.00 O ATOM 715 CB ASN A 48 -0.315 -5.852 -14.933 1.00 0.00 C ATOM 716 CG ASN A 48 -1.204 -7.055 -15.181 1.00 0.00 C ATOM 717 OD1 ASN A 48 -2.382 -6.903 -15.478 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.664 -8.245 -15.055 1.00 0.00 N ATOM 0 H ASN A 48 2.169 -7.820 -14.992 1.00 0.00 H new ATOM 0 HA ASN A 48 1.113 -6.580 -16.370 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.302 -5.635 -13.865 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.747 -4.983 -15.429 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.230 -9.080 -15.206 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.321 -8.334 -14.806 1.00 0.00 H new ATOM 725 N GLU A 49 3.070 -4.648 -15.904 1.00 0.00 N ATOM 726 CA GLU A 49 3.713 -3.431 -16.388 1.00 0.00 C ATOM 727 C GLU A 49 3.614 -3.380 -17.901 1.00 0.00 C ATOM 728 O GLU A 49 3.619 -4.419 -18.554 1.00 0.00 O ATOM 729 CB GLU A 49 5.173 -3.342 -15.950 1.00 0.00 C ATOM 730 CG GLU A 49 5.358 -3.131 -14.461 1.00 0.00 C ATOM 731 CD GLU A 49 4.776 -1.821 -13.992 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.222 -0.758 -14.464 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.862 -1.840 -13.147 1.00 0.00 O ATOM 0 H GLU A 49 3.701 -5.430 -15.729 1.00 0.00 H new ATOM 0 HA GLU A 49 3.195 -2.577 -15.952 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.686 -4.258 -16.243 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.653 -2.523 -16.485 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.886 -3.950 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.421 -3.160 -14.221 1.00 0.00 H new ATOM 740 N ILE A 50 3.502 -2.184 -18.448 1.00 0.00 N ATOM 741 CA ILE A 50 3.343 -2.010 -19.884 1.00 0.00 C ATOM 742 C ILE A 50 4.615 -2.450 -20.600 1.00 0.00 C ATOM 743 O ILE A 50 5.699 -1.925 -20.339 1.00 0.00 O ATOM 744 CB ILE A 50 3.040 -0.529 -20.240 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.766 -0.046 -19.520 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.901 -0.342 -21.753 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.511 -0.816 -19.880 1.00 0.00 C ATOM 0 H ILE A 50 3.518 -1.313 -17.918 1.00 0.00 H new ATOM 0 HA ILE A 50 2.502 -2.623 -20.208 1.00 0.00 H new ATOM 0 HB ILE A 50 3.882 0.074 -19.900 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.924 -0.115 -18.444 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.610 1.008 -19.752 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.689 0.704 -21.972 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.830 -0.634 -22.243 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.085 -0.963 -22.123 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.336 -0.409 -19.328 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.324 -0.726 -20.950 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.642 -1.867 -19.621 1.00 0.00 H new ATOM 759 N LEU A 51 4.492 -3.410 -21.486 1.00 0.00 N ATOM 760 CA LEU A 51 5.648 -3.930 -22.178 1.00 0.00 C ATOM 761 C LEU A 51 5.451 -3.865 -23.686 1.00 0.00 C ATOM 762 O LEU A 51 4.453 -4.346 -24.209 1.00 0.00 O ATOM 763 CB LEU A 51 5.968 -5.360 -21.688 1.00 0.00 C ATOM 764 CG LEU A 51 7.307 -5.979 -22.139 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.197 -6.580 -23.523 1.00 0.00 C ATOM 766 CD2 LEU A 51 8.424 -4.945 -22.096 1.00 0.00 C ATOM 0 H LEU A 51 3.607 -3.846 -21.744 1.00 0.00 H new ATOM 0 HA LEU A 51 6.511 -3.306 -21.946 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.949 -5.355 -20.598 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.164 -6.018 -22.018 1.00 0.00 H new ATOM 0 HG LEU A 51 7.550 -6.781 -21.442 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.157 -7.008 -23.811 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.437 -7.362 -23.521 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.917 -5.804 -24.235 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.358 -5.405 -22.418 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.179 -4.117 -22.761 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.536 -4.572 -21.078 1.00 0.00 H new ATOM 778 N LEU A 52 6.404 -3.264 -24.369 1.00 0.00 N ATOM 779 CA LEU A 52 6.370 -3.124 -25.816 1.00 0.00 C ATOM 780 C LEU A 52 7.479 -3.973 -26.429 1.00 0.00 C ATOM 781 O LEU A 52 8.507 -4.201 -25.787 1.00 0.00 O ATOM 782 CB LEU A 52 6.561 -1.650 -26.243 1.00 0.00 C ATOM 783 CG LEU A 52 5.525 -0.610 -25.776 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.110 -1.063 -26.070 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.703 -0.249 -24.307 1.00 0.00 C ATOM 0 H LEU A 52 7.231 -2.855 -23.935 1.00 0.00 H new ATOM 0 HA LEU A 52 5.395 -3.459 -26.170 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.539 -1.326 -25.888 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.592 -1.622 -27.332 1.00 0.00 H new ATOM 0 HG LEU A 52 5.703 0.298 -26.352 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.406 -0.304 -25.727 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.991 -1.210 -27.143 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.913 -2.001 -25.552 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.952 0.487 -24.020 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.587 -1.144 -23.696 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.698 0.169 -24.153 1.00 0.00 H new ATOM 797 N GLU A 53 7.273 -4.430 -27.660 1.00 0.00 N ATOM 798 CA GLU A 53 8.234 -5.295 -28.351 1.00 0.00 C ATOM 799 C GLU A 53 9.586 -4.601 -28.509 1.00 0.00 C ATOM 800 O GLU A 53 10.639 -5.225 -28.349 1.00 0.00 O ATOM 801 CB GLU A 53 7.726 -5.708 -29.753 1.00 0.00 C ATOM 802 CG GLU A 53 6.368 -6.412 -29.794 1.00 0.00 C ATOM 803 CD GLU A 53 5.195 -5.453 -29.855 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.943 -4.727 -28.877 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.518 -5.409 -30.889 1.00 0.00 O ATOM 0 H GLU A 53 6.440 -4.215 -28.208 1.00 0.00 H new ATOM 0 HA GLU A 53 8.347 -6.186 -27.734 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.669 -4.814 -30.375 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.468 -6.365 -30.207 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.335 -7.071 -30.662 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.267 -7.043 -28.911 1.00 0.00 H new ATOM 812 N ASN A 54 9.557 -3.311 -28.806 1.00 0.00 N ATOM 813 CA ASN A 54 10.785 -2.550 -29.034 1.00 0.00 C ATOM 814 C ASN A 54 11.509 -2.243 -27.722 1.00 0.00 C ATOM 815 O ASN A 54 12.685 -1.876 -27.722 1.00 0.00 O ATOM 816 CB ASN A 54 10.512 -1.260 -29.833 1.00 0.00 C ATOM 817 CG ASN A 54 9.707 -0.210 -29.073 1.00 0.00 C ATOM 818 OD1 ASN A 54 8.936 -0.520 -28.167 1.00 0.00 O ATOM 819 ND2 ASN A 54 9.869 1.038 -29.459 1.00 0.00 N ATOM 0 H ASN A 54 8.700 -2.766 -28.896 1.00 0.00 H new ATOM 0 HA ASN A 54 11.444 -3.177 -29.635 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.465 -0.824 -30.133 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.978 -1.519 -30.747 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.346 1.785 -29.002 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.518 1.258 -30.215 1.00 0.00 H new ATOM 826 N GLN A 55 10.802 -2.411 -26.612 1.00 0.00 N ATOM 827 CA GLN A 55 11.369 -2.204 -25.284 1.00 0.00 C ATOM 828 C GLN A 55 12.124 -3.439 -24.810 1.00 0.00 C ATOM 829 O GLN A 55 12.872 -3.385 -23.841 1.00 0.00 O ATOM 830 CB GLN A 55 10.285 -1.821 -24.276 1.00 0.00 C ATOM 831 CG GLN A 55 9.639 -0.478 -24.555 1.00 0.00 C ATOM 832 CD GLN A 55 10.610 0.676 -24.423 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.271 1.061 -25.384 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.699 1.236 -23.236 1.00 0.00 N ATOM 0 H GLN A 55 9.822 -2.694 -26.606 1.00 0.00 H new ATOM 0 HA GLN A 55 12.077 -1.378 -25.355 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.514 -2.592 -24.275 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.720 -1.804 -23.277 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.221 -0.483 -25.562 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.808 -0.329 -23.866 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.132 0.886 -22.463 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.335 2.020 -23.088 1.00 0.00 H new ATOM 843 N LEU A 56 11.899 -4.555 -25.485 1.00 0.00 N ATOM 844 CA LEU A 56 12.588 -5.793 -25.165 1.00 0.00 C ATOM 845 C LEU A 56 14.018 -5.768 -25.675 1.00 0.00 C ATOM 846 O LEU A 56 14.279 -5.386 -26.825 1.00 0.00 O ATOM 847 CB LEU A 56 11.856 -6.985 -25.774 1.00 0.00 C ATOM 848 CG LEU A 56 10.494 -7.315 -25.184 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.807 -8.374 -26.019 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.656 -7.801 -23.754 1.00 0.00 C ATOM 0 H LEU A 56 11.241 -4.628 -26.261 1.00 0.00 H new ATOM 0 HA LEU A 56 12.602 -5.892 -24.080 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.731 -6.800 -26.841 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.493 -7.864 -25.675 1.00 0.00 H new ATOM 0 HG LEU A 56 9.879 -6.415 -25.186 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.833 -8.602 -25.587 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.676 -8.006 -27.037 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.417 -9.277 -26.035 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.677 -8.036 -23.336 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.280 -8.695 -23.742 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.128 -7.021 -23.156 1.00 0.00 H new