USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=14 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 54 ASN : amide:sc= 0 X(o=-0.17,f=-0.25) USER MOD Set 1.2: A 55 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.23) USER MOD Set 2.1: A 22 THR OG1 : rot 100:sc= 1.79 USER MOD Set 2.2: A 24 CYS SG : rot -166:sc= 2.52 USER MOD Set 2.3: A 26 HIS : no HE2:sc= 0.506 K(o=5.8,f=-1.4!) USER MOD Set 2.4: A 44 CYS SG : rot 144:sc= 1 USER MOD Set 3.1: A 9 CYS SG : rot -155:sc= -0.336 USER MOD Set 3.2: A 12 CYS SG : rot -75:sc= 0.38 USER MOD Set 3.3: A 14 MET CE :methyl 135:sc= -0.635 (180deg=-1.47) USER MOD Set 3.4: A 29 CYS SG : rot 130:sc= 0.646 USER MOD Set 3.5: A 32 CYS SG : rot -169:sc= -2.56! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc=-0.00367 (180deg=-0.146) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= 1.15 (180deg=0.894) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.35! C(o=0.35!,f=-5.1!) USER MOD Single : A 43 LYS NZ :NH3+ -141:sc= -0.543 (180deg=-2.38!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0321 F(o=-1.2!,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 13.304 -18.494 -15.457 1.00 0.00 N ATOM 105 CA GLU A 8 12.192 -19.112 -16.128 1.00 0.00 C ATOM 106 C GLU A 8 11.211 -18.083 -16.665 1.00 0.00 C ATOM 107 O GLU A 8 10.843 -17.131 -15.969 1.00 0.00 O ATOM 108 CB GLU A 8 11.484 -20.076 -15.182 1.00 0.00 C ATOM 109 CG GLU A 8 10.284 -20.785 -15.789 1.00 0.00 C ATOM 110 CD GLU A 8 9.661 -21.771 -14.839 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.398 -22.367 -14.020 1.00 0.00 O ATOM 112 OE2 GLU A 8 8.440 -21.986 -14.908 1.00 0.00 O ATOM 0 HA GLU A 8 12.584 -19.665 -16.982 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.200 -20.825 -14.843 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.157 -19.526 -14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.538 -20.046 -16.082 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.592 -21.304 -16.697 1.00 0.00 H new ATOM 119 N CYS A 9 10.815 -18.270 -17.906 1.00 0.00 N ATOM 120 CA CYS A 9 9.765 -17.503 -18.517 1.00 0.00 C ATOM 121 C CYS A 9 8.420 -18.068 -18.055 1.00 0.00 C ATOM 122 O CYS A 9 8.037 -19.179 -18.443 1.00 0.00 O ATOM 123 CB CYS A 9 9.906 -17.604 -20.039 1.00 0.00 C ATOM 124 SG CYS A 9 8.510 -16.979 -21.038 1.00 0.00 S ATOM 0 H CYS A 9 11.224 -18.972 -18.523 1.00 0.00 H new ATOM 0 HA CYS A 9 9.826 -16.454 -18.229 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.804 -17.062 -20.334 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.067 -18.651 -20.297 1.00 0.00 H new ATOM 0 HG CYS A 9 8.504 -17.573 -22.195 1.00 0.00 H new ATOM 129 N PRO A 10 7.691 -17.322 -17.205 1.00 0.00 N ATOM 130 CA PRO A 10 6.432 -17.793 -16.608 1.00 0.00 C ATOM 131 C PRO A 10 5.360 -18.083 -17.649 1.00 0.00 C ATOM 132 O PRO A 10 4.400 -18.792 -17.374 1.00 0.00 O ATOM 133 CB PRO A 10 5.994 -16.616 -15.722 1.00 0.00 C ATOM 134 CG PRO A 10 7.243 -15.845 -15.475 1.00 0.00 C ATOM 135 CD PRO A 10 8.046 -15.973 -16.730 1.00 0.00 C ATOM 0 HA PRO A 10 6.572 -18.731 -16.070 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.242 -16.004 -16.220 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.553 -16.965 -14.788 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.022 -14.800 -15.255 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.787 -16.243 -14.619 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.784 -15.205 -17.458 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.115 -15.879 -16.538 1.00 0.00 H new ATOM 143 N ILE A 11 5.525 -17.526 -18.834 1.00 0.00 N ATOM 144 CA ILE A 11 4.580 -17.719 -19.918 1.00 0.00 C ATOM 145 C ILE A 11 4.563 -19.186 -20.390 1.00 0.00 C ATOM 146 O ILE A 11 3.498 -19.773 -20.604 1.00 0.00 O ATOM 147 CB ILE A 11 4.890 -16.768 -21.102 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.650 -15.319 -20.675 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.024 -17.107 -22.314 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.131 -14.301 -21.678 1.00 0.00 C ATOM 0 H ILE A 11 6.316 -16.928 -19.072 1.00 0.00 H new ATOM 0 HA ILE A 11 3.588 -17.477 -19.537 1.00 0.00 H new ATOM 0 HB ILE A 11 5.935 -16.895 -21.385 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.583 -15.172 -20.505 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.151 -15.143 -19.723 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.260 -16.426 -23.132 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.222 -18.132 -22.627 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.972 -17.005 -22.049 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.926 -13.298 -21.305 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.204 -14.419 -21.831 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.611 -14.449 -22.625 1.00 0.00 H new ATOM 162 N CYS A 12 5.743 -19.775 -20.532 1.00 0.00 N ATOM 163 CA CYS A 12 5.850 -21.136 -21.033 1.00 0.00 C ATOM 164 C CYS A 12 6.060 -22.141 -19.903 1.00 0.00 C ATOM 165 O CYS A 12 5.800 -23.328 -20.068 1.00 0.00 O ATOM 166 CB CYS A 12 6.988 -21.229 -22.050 1.00 0.00 C ATOM 167 SG CYS A 12 8.598 -20.637 -21.434 1.00 0.00 S ATOM 0 H CYS A 12 6.635 -19.333 -20.308 1.00 0.00 H new ATOM 0 HA CYS A 12 4.909 -21.388 -21.522 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.093 -22.267 -22.366 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.717 -20.653 -22.934 1.00 0.00 H new ATOM 0 HG CYS A 12 8.598 -19.338 -21.398 1.00 0.00 H new ATOM 172 N LEU A 13 6.540 -21.640 -18.763 1.00 0.00 N ATOM 173 CA LEU A 13 6.857 -22.452 -17.574 1.00 0.00 C ATOM 174 C LEU A 13 8.023 -23.408 -17.838 1.00 0.00 C ATOM 175 O LEU A 13 8.216 -24.382 -17.103 1.00 0.00 O ATOM 176 CB LEU A 13 5.641 -23.262 -17.051 1.00 0.00 C ATOM 177 CG LEU A 13 4.494 -22.503 -16.366 1.00 0.00 C ATOM 178 CD1 LEU A 13 3.610 -21.793 -17.377 1.00 0.00 C ATOM 179 CD2 LEU A 13 3.671 -23.452 -15.505 1.00 0.00 C ATOM 0 H LEU A 13 6.724 -20.645 -18.632 1.00 0.00 H new ATOM 0 HA LEU A 13 7.142 -21.736 -16.803 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.219 -23.809 -17.894 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.016 -24.004 -16.346 1.00 0.00 H new ATOM 0 HG LEU A 13 4.935 -21.740 -15.725 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.810 -21.267 -16.855 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.206 -21.077 -17.942 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.178 -22.525 -18.060 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.862 -22.900 -15.026 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.252 -24.240 -16.131 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.309 -23.896 -14.741 1.00 0.00 H new ATOM 191 N MET A 14 8.823 -23.115 -18.851 1.00 0.00 N ATOM 192 CA MET A 14 9.965 -23.966 -19.153 1.00 0.00 C ATOM 193 C MET A 14 11.244 -23.378 -18.598 1.00 0.00 C ATOM 194 O MET A 14 11.798 -23.873 -17.611 1.00 0.00 O ATOM 195 CB MET A 14 10.121 -24.201 -20.663 1.00 0.00 C ATOM 196 CG MET A 14 8.999 -24.999 -21.304 1.00 0.00 C ATOM 197 SD MET A 14 9.310 -25.349 -23.057 1.00 0.00 S ATOM 198 CE MET A 14 9.177 -23.712 -23.776 1.00 0.00 C ATOM 0 H MET A 14 8.708 -22.311 -19.468 1.00 0.00 H new ATOM 0 HA MET A 14 9.775 -24.927 -18.674 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.191 -23.234 -21.161 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.063 -24.719 -20.840 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.872 -25.938 -20.766 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.064 -24.448 -21.207 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.999 -23.553 -24.474 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.229 -23.623 -24.306 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.222 -22.963 -22.986 1.00 0.00 H new ATOM 208 N ALA A 15 11.684 -22.298 -19.215 1.00 0.00 N ATOM 209 CA ALA A 15 12.948 -21.660 -18.911 1.00 0.00 C ATOM 210 C ALA A 15 13.022 -20.387 -19.725 1.00 0.00 C ATOM 211 O ALA A 15 11.997 -19.908 -20.193 1.00 0.00 O ATOM 212 CB ALA A 15 14.099 -22.590 -19.298 1.00 0.00 C ATOM 0 H ALA A 15 11.161 -21.831 -19.956 1.00 0.00 H new ATOM 0 HA ALA A 15 13.024 -21.440 -17.846 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.049 -22.108 -19.068 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.019 -23.521 -18.736 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.050 -22.805 -20.365 1.00 0.00 H new ATOM 218 N LEU A 16 14.200 -19.835 -19.878 1.00 0.00 N ATOM 219 CA LEU A 16 14.393 -18.702 -20.757 1.00 0.00 C ATOM 220 C LEU A 16 15.118 -19.170 -21.995 1.00 0.00 C ATOM 221 O LEU A 16 16.175 -19.784 -21.896 1.00 0.00 O ATOM 222 CB LEU A 16 15.237 -17.618 -20.068 1.00 0.00 C ATOM 223 CG LEU A 16 14.657 -16.989 -18.801 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.641 -15.998 -18.199 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.343 -16.303 -19.110 1.00 0.00 C ATOM 0 H LEU A 16 15.046 -20.152 -19.404 1.00 0.00 H new ATOM 0 HA LEU A 16 13.421 -18.281 -21.012 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.206 -18.050 -19.819 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.419 -16.821 -20.789 1.00 0.00 H new ATOM 0 HG LEU A 16 14.476 -17.781 -18.074 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.211 -15.560 -17.298 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.567 -16.513 -17.946 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.851 -15.209 -18.921 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.941 -15.859 -18.199 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.506 -15.522 -19.853 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.635 -17.033 -19.501 1.00 0.00 H new ATOM 237 N ARG A 17 14.563 -18.903 -23.153 1.00 0.00 N ATOM 238 CA ARG A 17 15.258 -19.235 -24.376 1.00 0.00 C ATOM 239 C ARG A 17 16.226 -18.122 -24.739 1.00 0.00 C ATOM 240 O ARG A 17 17.436 -18.281 -24.605 1.00 0.00 O ATOM 241 CB ARG A 17 14.271 -19.521 -25.519 1.00 0.00 C ATOM 242 CG ARG A 17 14.906 -19.853 -26.877 1.00 0.00 C ATOM 243 CD ARG A 17 15.726 -21.140 -26.828 1.00 0.00 C ATOM 244 NE ARG A 17 17.028 -20.937 -26.181 1.00 0.00 N ATOM 245 CZ ARG A 17 17.641 -21.813 -25.383 1.00 0.00 C ATOM 246 NH1 ARG A 17 17.055 -22.963 -25.063 1.00 0.00 N ATOM 247 NH2 ARG A 17 18.839 -21.523 -24.882 1.00 0.00 N ATOM 0 H ARG A 17 13.650 -18.465 -23.276 1.00 0.00 H new ATOM 0 HA ARG A 17 15.830 -20.149 -24.215 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.632 -20.353 -25.224 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.625 -18.652 -25.643 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.123 -19.951 -27.629 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.546 -19.028 -27.189 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.168 -21.905 -26.288 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.878 -21.512 -27.841 1.00 0.00 H new ATOM 0 HE ARG A 17 17.504 -20.052 -26.356 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.128 -23.182 -25.428 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.532 -23.626 -24.452 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.285 -20.634 -25.108 1.00 0.00 H new ATOM 0 HH22 ARG A 17 19.311 -22.190 -24.271 1.00 0.00 H new ATOM 261 N GLU A 18 15.698 -16.990 -25.167 1.00 0.00 N ATOM 262 CA GLU A 18 16.548 -15.859 -25.511 1.00 0.00 C ATOM 263 C GLU A 18 16.802 -14.958 -24.313 1.00 0.00 C ATOM 264 O GLU A 18 17.734 -14.161 -24.320 1.00 0.00 O ATOM 265 CB GLU A 18 15.948 -15.062 -26.662 1.00 0.00 C ATOM 266 CG GLU A 18 15.886 -15.844 -27.958 1.00 0.00 C ATOM 267 CD GLU A 18 17.254 -16.283 -28.411 1.00 0.00 C ATOM 268 OE1 GLU A 18 18.158 -15.430 -28.508 1.00 0.00 O ATOM 269 OE2 GLU A 18 17.449 -17.494 -28.649 1.00 0.00 O ATOM 0 H GLU A 18 14.698 -16.827 -25.285 1.00 0.00 H new ATOM 0 HA GLU A 18 17.510 -16.261 -25.830 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.942 -14.742 -26.389 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.538 -14.159 -26.817 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.249 -16.718 -27.825 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.426 -15.229 -28.732 1.00 0.00 H new ATOM 276 N ALA A 19 15.982 -15.121 -23.275 1.00 0.00 N ATOM 277 CA ALA A 19 16.042 -14.294 -22.065 1.00 0.00 C ATOM 278 C ALA A 19 15.987 -12.804 -22.399 1.00 0.00 C ATOM 279 O ALA A 19 17.008 -12.111 -22.408 1.00 0.00 O ATOM 280 CB ALA A 19 17.262 -14.619 -21.211 1.00 0.00 C ATOM 0 H ALA A 19 15.253 -15.834 -23.248 1.00 0.00 H new ATOM 0 HA ALA A 19 15.158 -14.536 -21.475 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.266 -13.983 -20.326 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.225 -15.665 -20.906 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.169 -14.442 -21.789 1.00 0.00 H new ATOM 286 N VAL A 20 14.805 -12.324 -22.700 1.00 0.00 N ATOM 287 CA VAL A 20 14.629 -10.934 -23.034 1.00 0.00 C ATOM 288 C VAL A 20 14.280 -10.135 -21.781 1.00 0.00 C ATOM 289 O VAL A 20 13.275 -10.397 -21.122 1.00 0.00 O ATOM 290 CB VAL A 20 13.576 -10.713 -24.172 1.00 0.00 C ATOM 291 CG1 VAL A 20 13.964 -11.494 -25.414 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.165 -11.092 -23.744 1.00 0.00 C ATOM 0 H VAL A 20 13.949 -12.878 -22.720 1.00 0.00 H new ATOM 0 HA VAL A 20 15.576 -10.569 -23.431 1.00 0.00 H new ATOM 0 HB VAL A 20 13.575 -9.646 -24.395 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.221 -11.329 -26.194 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.940 -11.158 -25.765 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.010 -12.557 -25.176 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.475 -10.919 -24.570 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.140 -12.145 -23.465 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.868 -10.483 -22.890 1.00 0.00 H new ATOM 302 N GLN A 21 15.148 -9.217 -21.424 1.00 0.00 N ATOM 303 CA GLN A 21 14.934 -8.385 -20.257 1.00 0.00 C ATOM 304 C GLN A 21 13.982 -7.250 -20.572 1.00 0.00 C ATOM 305 O GLN A 21 14.144 -6.550 -21.573 1.00 0.00 O ATOM 306 CB GLN A 21 16.261 -7.852 -19.710 1.00 0.00 C ATOM 307 CG GLN A 21 16.117 -6.954 -18.488 1.00 0.00 C ATOM 308 CD GLN A 21 17.452 -6.561 -17.900 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.061 -5.564 -18.299 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.911 -7.329 -16.940 1.00 0.00 N ATOM 0 H GLN A 21 16.015 -9.025 -21.927 1.00 0.00 H new ATOM 0 HA GLN A 21 14.479 -9.003 -19.483 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.901 -8.696 -19.453 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.769 -7.296 -20.498 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.566 -6.055 -18.764 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.527 -7.469 -17.730 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.377 -8.144 -16.639 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.802 -7.111 -16.494 1.00 0.00 H new ATOM 319 N THR A 22 12.990 -7.097 -19.738 1.00 0.00 N ATOM 320 CA THR A 22 12.025 -6.042 -19.859 1.00 0.00 C ATOM 321 C THR A 22 12.483 -4.837 -19.028 1.00 0.00 C ATOM 322 O THR A 22 13.380 -4.978 -18.184 1.00 0.00 O ATOM 323 CB THR A 22 10.660 -6.537 -19.340 1.00 0.00 C ATOM 324 OG1 THR A 22 10.794 -6.964 -17.977 1.00 0.00 O ATOM 325 CG2 THR A 22 10.164 -7.702 -20.182 1.00 0.00 C ATOM 0 H THR A 22 12.828 -7.714 -18.942 1.00 0.00 H new ATOM 0 HA THR A 22 11.932 -5.748 -20.904 1.00 0.00 H new ATOM 0 HB THR A 22 9.942 -5.720 -19.406 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.473 -6.257 -17.380 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.200 -8.040 -19.803 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.055 -7.382 -21.218 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.882 -8.521 -20.129 1.00 0.00 H new ATOM 333 N PRO A 23 11.889 -3.639 -19.245 1.00 0.00 N ATOM 334 CA PRO A 23 12.227 -2.427 -18.477 1.00 0.00 C ATOM 335 C PRO A 23 12.073 -2.633 -16.969 1.00 0.00 C ATOM 336 O PRO A 23 12.863 -2.116 -16.178 1.00 0.00 O ATOM 337 CB PRO A 23 11.201 -1.406 -18.966 1.00 0.00 C ATOM 338 CG PRO A 23 10.848 -1.862 -20.335 1.00 0.00 C ATOM 339 CD PRO A 23 10.865 -3.358 -20.276 1.00 0.00 C ATOM 0 HA PRO A 23 13.264 -2.128 -18.627 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.325 -1.381 -18.318 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.618 -0.399 -18.978 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.866 -1.492 -20.631 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.563 -1.490 -21.069 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.891 -3.762 -19.998 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.130 -3.797 -21.238 1.00 0.00 H new ATOM 347 N CYS A 24 11.063 -3.404 -16.581 1.00 0.00 N ATOM 348 CA CYS A 24 10.780 -3.649 -15.181 1.00 0.00 C ATOM 349 C CYS A 24 11.841 -4.547 -14.526 1.00 0.00 C ATOM 350 O CYS A 24 11.990 -4.550 -13.303 1.00 0.00 O ATOM 351 CB CYS A 24 9.384 -4.246 -15.026 1.00 0.00 C ATOM 352 SG CYS A 24 8.961 -5.507 -16.277 1.00 0.00 S ATOM 0 H CYS A 24 10.425 -3.871 -17.226 1.00 0.00 H new ATOM 0 HA CYS A 24 10.814 -2.692 -14.661 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.301 -4.692 -14.035 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.650 -3.442 -15.076 1.00 0.00 H new ATOM 0 HG CYS A 24 7.681 -5.732 -16.251 1.00 0.00 H new ATOM 357 N GLY A 25 12.578 -5.293 -15.344 1.00 0.00 N ATOM 358 CA GLY A 25 13.613 -6.165 -14.818 1.00 0.00 C ATOM 359 C GLY A 25 13.224 -7.631 -14.848 1.00 0.00 C ATOM 360 O GLY A 25 13.727 -8.434 -14.060 1.00 0.00 O ATOM 0 H GLY A 25 12.477 -5.309 -16.359 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.527 -6.025 -15.396 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.838 -5.875 -13.792 1.00 0.00 H new ATOM 364 N HIS A 26 12.341 -7.991 -15.757 1.00 0.00 N ATOM 365 CA HIS A 26 11.895 -9.372 -15.878 1.00 0.00 C ATOM 366 C HIS A 26 12.361 -9.961 -17.187 1.00 0.00 C ATOM 367 O HIS A 26 12.618 -9.236 -18.136 1.00 0.00 O ATOM 368 CB HIS A 26 10.375 -9.483 -15.723 1.00 0.00 C ATOM 369 CG HIS A 26 9.920 -9.113 -14.350 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.390 -7.872 -14.034 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.961 -9.811 -13.192 1.00 0.00 C ATOM 372 CE1 HIS A 26 9.136 -7.831 -12.733 1.00 0.00 C ATOM 373 NE2 HIS A 26 9.472 -8.995 -12.204 1.00 0.00 N ATOM 0 H HIS A 26 11.915 -7.349 -16.425 1.00 0.00 H new ATOM 0 HA HIS A 26 12.342 -9.948 -15.068 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.889 -8.835 -16.452 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.062 -10.503 -15.945 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.222 -7.113 -14.695 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.314 -10.824 -13.068 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.724 -6.989 -12.196 1.00 0.00 H new ATOM 380 N ARG A 27 12.506 -11.265 -17.234 1.00 0.00 N ATOM 381 CA ARG A 27 13.025 -11.909 -18.425 1.00 0.00 C ATOM 382 C ARG A 27 12.062 -12.959 -18.956 1.00 0.00 C ATOM 383 O ARG A 27 11.465 -13.717 -18.192 1.00 0.00 O ATOM 384 CB ARG A 27 14.415 -12.488 -18.137 1.00 0.00 C ATOM 385 CG ARG A 27 15.443 -11.403 -17.848 1.00 0.00 C ATOM 386 CD ARG A 27 16.790 -11.954 -17.423 1.00 0.00 C ATOM 387 NE ARG A 27 16.723 -12.617 -16.111 1.00 0.00 N ATOM 388 CZ ARG A 27 17.787 -12.980 -15.383 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.016 -12.714 -15.814 1.00 0.00 N ATOM 390 NH2 ARG A 27 17.621 -13.586 -14.216 1.00 0.00 N ATOM 0 H ARG A 27 12.275 -11.899 -16.469 1.00 0.00 H new ATOM 0 HA ARG A 27 13.126 -11.163 -19.214 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.355 -13.165 -17.285 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.744 -13.079 -18.991 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.574 -10.789 -18.739 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.061 -10.749 -17.064 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.144 -12.664 -18.171 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.518 -11.143 -17.383 1.00 0.00 H new ATOM 0 HE ARG A 27 15.799 -12.815 -15.728 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.152 -12.232 -16.702 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.823 -12.992 -15.256 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.681 -13.777 -13.870 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.433 -13.861 -13.664 1.00 0.00 H new ATOM 404 N PHE A 28 11.903 -12.975 -20.267 1.00 0.00 N ATOM 405 CA PHE A 28 10.973 -13.872 -20.951 1.00 0.00 C ATOM 406 C PHE A 28 11.621 -14.417 -22.218 1.00 0.00 C ATOM 407 O PHE A 28 12.724 -14.004 -22.578 1.00 0.00 O ATOM 408 CB PHE A 28 9.678 -13.131 -21.326 1.00 0.00 C ATOM 409 CG PHE A 28 8.907 -12.581 -20.159 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.001 -13.374 -19.475 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.088 -11.270 -19.744 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.293 -12.871 -18.401 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.386 -10.765 -18.671 1.00 0.00 C ATOM 414 CZ PHE A 28 7.486 -11.565 -18.000 1.00 0.00 C ATOM 0 H PHE A 28 12.418 -12.362 -20.898 1.00 0.00 H new ATOM 0 HA PHE A 28 10.729 -14.692 -20.276 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.927 -12.310 -21.998 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.033 -13.813 -21.881 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.846 -14.397 -19.785 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.788 -10.637 -20.269 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.589 -13.499 -17.876 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.541 -9.744 -18.356 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.932 -11.170 -17.161 1.00 0.00 H new ATOM 424 N CYS A 29 10.966 -15.353 -22.875 1.00 0.00 N ATOM 425 CA CYS A 29 11.458 -15.868 -24.144 1.00 0.00 C ATOM 426 C CYS A 29 11.001 -14.969 -25.296 1.00 0.00 C ATOM 427 O CYS A 29 9.956 -14.317 -25.211 1.00 0.00 O ATOM 428 CB CYS A 29 10.951 -17.280 -24.376 1.00 0.00 C ATOM 429 SG CYS A 29 11.298 -18.445 -23.023 1.00 0.00 S ATOM 0 H CYS A 29 10.094 -15.774 -22.555 1.00 0.00 H new ATOM 0 HA CYS A 29 12.547 -15.880 -24.107 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.874 -17.243 -24.537 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.397 -17.666 -25.293 1.00 0.00 H new ATOM 0 HG CYS A 29 10.205 -19.067 -22.694 1.00 0.00 H new ATOM 434 N LYS A 30 11.767 -14.977 -26.375 1.00 0.00 N ATOM 435 CA LYS A 30 11.535 -14.130 -27.545 1.00 0.00 C ATOM 436 C LYS A 30 10.265 -14.530 -28.295 1.00 0.00 C ATOM 437 O LYS A 30 9.745 -13.768 -29.106 1.00 0.00 O ATOM 438 CB LYS A 30 12.743 -14.239 -28.488 1.00 0.00 C ATOM 439 CG LYS A 30 12.629 -13.441 -29.772 1.00 0.00 C ATOM 440 CD LYS A 30 13.847 -13.629 -30.657 1.00 0.00 C ATOM 441 CE LYS A 30 13.727 -12.812 -31.933 1.00 0.00 C ATOM 442 NZ LYS A 30 12.618 -13.294 -32.798 1.00 0.00 N ATOM 0 H LYS A 30 12.583 -15.581 -26.469 1.00 0.00 H new ATOM 0 HA LYS A 30 11.407 -13.103 -27.202 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.634 -13.911 -27.952 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.893 -15.288 -28.742 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.734 -13.748 -30.314 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.511 -12.384 -29.535 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.744 -13.332 -30.114 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.960 -14.684 -30.906 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.561 -11.765 -31.679 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.666 -12.861 -32.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.684 -12.841 -33.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.687 -14.326 -32.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.706 -13.053 -32.360 1.00 0.00 H new ATOM 456 N ALA A 31 9.748 -15.697 -28.002 1.00 0.00 N ATOM 457 CA ALA A 31 8.586 -16.182 -28.716 1.00 0.00 C ATOM 458 C ALA A 31 7.392 -16.303 -27.793 1.00 0.00 C ATOM 459 O ALA A 31 6.254 -16.441 -28.245 1.00 0.00 O ATOM 460 CB ALA A 31 8.893 -17.516 -29.374 1.00 0.00 C ATOM 0 H ALA A 31 10.106 -16.325 -27.283 1.00 0.00 H new ATOM 0 HA ALA A 31 8.335 -15.459 -29.493 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.011 -17.870 -29.908 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.718 -17.394 -30.076 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.171 -18.243 -28.611 1.00 0.00 H new ATOM 466 N CYS A 32 7.640 -16.239 -26.504 1.00 0.00 N ATOM 467 CA CYS A 32 6.565 -16.296 -25.545 1.00 0.00 C ATOM 468 C CYS A 32 6.001 -14.901 -25.267 1.00 0.00 C ATOM 469 O CYS A 32 4.791 -14.687 -25.317 1.00 0.00 O ATOM 470 CB CYS A 32 7.065 -16.928 -24.244 1.00 0.00 C ATOM 471 SG CYS A 32 7.876 -18.552 -24.442 1.00 0.00 S ATOM 0 H CYS A 32 8.572 -16.148 -26.099 1.00 0.00 H new ATOM 0 HA CYS A 32 5.765 -16.908 -25.962 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.768 -16.242 -23.770 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.221 -17.040 -23.563 1.00 0.00 H new ATOM 0 HG CYS A 32 8.052 -19.094 -23.274 1.00 0.00 H new ATOM 476 N ILE A 33 6.887 -13.947 -25.016 1.00 0.00 N ATOM 477 CA ILE A 33 6.467 -12.620 -24.586 1.00 0.00 C ATOM 478 C ILE A 33 5.735 -11.840 -25.686 1.00 0.00 C ATOM 479 O ILE A 33 4.748 -11.164 -25.416 1.00 0.00 O ATOM 480 CB ILE A 33 7.631 -11.791 -23.985 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.109 -10.522 -23.306 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.669 -11.447 -25.036 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.198 -10.787 -22.123 1.00 0.00 C ATOM 0 H ILE A 33 7.896 -14.066 -25.102 1.00 0.00 H new ATOM 0 HA ILE A 33 5.747 -12.789 -23.786 1.00 0.00 H new ATOM 0 HB ILE A 33 8.115 -12.409 -23.229 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.958 -9.925 -22.972 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.569 -9.925 -24.041 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.470 -10.866 -24.580 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.080 -12.365 -25.455 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.203 -10.863 -25.830 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.870 -9.839 -21.697 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.329 -11.356 -22.453 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.739 -11.357 -21.368 1.00 0.00 H new ATOM 495 N ILE A 34 6.195 -11.974 -26.926 1.00 0.00 N ATOM 496 CA ILE A 34 5.608 -11.243 -28.043 1.00 0.00 C ATOM 497 C ILE A 34 4.147 -11.650 -28.243 1.00 0.00 C ATOM 498 O ILE A 34 3.266 -10.800 -28.396 1.00 0.00 O ATOM 499 CB ILE A 34 6.426 -11.404 -29.351 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.785 -10.716 -29.191 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.673 -10.801 -30.529 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.744 -10.949 -30.337 1.00 0.00 C ATOM 0 H ILE A 34 6.973 -12.582 -27.182 1.00 0.00 H new ATOM 0 HA ILE A 34 5.639 -10.183 -27.790 1.00 0.00 H new ATOM 0 HB ILE A 34 6.577 -12.466 -29.546 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.624 -9.644 -29.080 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.249 -11.066 -28.269 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.262 -10.923 -31.438 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.715 -11.308 -30.646 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.502 -9.740 -30.347 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.680 -10.426 -30.140 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.939 -12.017 -30.437 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.305 -10.573 -31.261 1.00 0.00 H new ATOM 514 N LYS A 35 3.887 -12.941 -28.146 1.00 0.00 N ATOM 515 CA LYS A 35 2.553 -13.491 -28.341 1.00 0.00 C ATOM 516 C LYS A 35 1.697 -13.248 -27.088 1.00 0.00 C ATOM 517 O LYS A 35 0.511 -13.564 -27.043 1.00 0.00 O ATOM 518 CB LYS A 35 2.664 -15.001 -28.665 1.00 0.00 C ATOM 519 CG LYS A 35 1.340 -15.757 -28.800 1.00 0.00 C ATOM 520 CD LYS A 35 0.474 -15.223 -29.930 1.00 0.00 C ATOM 521 CE LYS A 35 -0.728 -16.131 -30.192 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.634 -16.255 -29.013 1.00 0.00 N ATOM 0 H LYS A 35 4.596 -13.642 -27.929 1.00 0.00 H new ATOM 0 HA LYS A 35 2.065 -12.993 -29.179 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.220 -15.113 -29.596 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.254 -15.478 -27.882 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.545 -16.813 -28.973 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.789 -15.688 -27.862 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.126 -14.220 -29.681 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.071 -15.137 -30.838 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.293 -15.741 -31.038 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.373 -17.122 -30.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.530 -16.693 -29.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.181 -16.848 -28.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.823 -15.311 -28.620 1.00 0.00 H new ATOM 536 N SER A 36 2.292 -12.646 -26.086 1.00 0.00 N ATOM 537 CA SER A 36 1.565 -12.314 -24.893 1.00 0.00 C ATOM 538 C SER A 36 1.284 -10.808 -24.853 1.00 0.00 C ATOM 539 O SER A 36 0.346 -10.367 -24.200 1.00 0.00 O ATOM 540 CB SER A 36 2.346 -12.759 -23.647 1.00 0.00 C ATOM 541 OG SER A 36 1.558 -12.646 -22.467 1.00 0.00 O ATOM 0 H SER A 36 3.276 -12.378 -26.077 1.00 0.00 H new ATOM 0 HA SER A 36 0.612 -12.843 -24.900 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.671 -13.792 -23.770 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.245 -12.152 -23.544 1.00 0.00 H new ATOM 0 HG SER A 36 2.084 -12.938 -21.693 1.00 0.00 H new ATOM 547 N ILE A 37 2.073 -10.023 -25.587 1.00 0.00 N ATOM 548 CA ILE A 37 1.897 -8.578 -25.550 1.00 0.00 C ATOM 549 C ILE A 37 1.218 -8.013 -26.800 1.00 0.00 C ATOM 550 O ILE A 37 0.547 -6.989 -26.726 1.00 0.00 O ATOM 551 CB ILE A 37 3.210 -7.811 -25.263 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.262 -8.093 -26.337 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.743 -8.165 -23.883 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.521 -7.271 -26.183 1.00 0.00 C ATOM 0 H ILE A 37 2.820 -10.355 -26.198 1.00 0.00 H new ATOM 0 HA ILE A 37 1.223 -8.415 -24.709 1.00 0.00 H new ATOM 0 HB ILE A 37 2.988 -6.744 -25.286 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.523 -9.151 -26.309 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.829 -7.898 -27.318 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.667 -7.617 -23.698 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.004 -7.897 -23.128 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.941 -9.236 -23.833 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.221 -7.525 -26.979 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.273 -6.211 -26.242 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.978 -7.484 -25.217 1.00 0.00 H new ATOM 566 N ARG A 38 1.370 -8.670 -27.948 1.00 0.00 N ATOM 567 CA ARG A 38 0.695 -8.179 -29.148 1.00 0.00 C ATOM 568 C ARG A 38 -0.612 -8.903 -29.359 1.00 0.00 C ATOM 569 O ARG A 38 -1.403 -8.537 -30.214 1.00 0.00 O ATOM 570 CB ARG A 38 1.565 -8.302 -30.407 1.00 0.00 C ATOM 571 CG ARG A 38 1.846 -9.725 -30.862 1.00 0.00 C ATOM 572 CD ARG A 38 2.642 -9.735 -32.156 1.00 0.00 C ATOM 573 NE ARG A 38 1.868 -9.177 -33.267 1.00 0.00 N ATOM 574 CZ ARG A 38 2.332 -8.970 -34.502 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.589 -9.275 -34.809 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.531 -8.467 -35.435 1.00 0.00 N ATOM 0 H ARG A 38 1.932 -9.512 -28.073 1.00 0.00 H new ATOM 0 HA ARG A 38 0.503 -7.119 -28.984 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.076 -7.767 -31.221 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.516 -7.802 -30.223 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.398 -10.256 -30.087 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.906 -10.257 -31.005 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.559 -9.160 -32.025 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.938 -10.757 -32.394 1.00 0.00 H new ATOM 0 HE ARG A 38 0.897 -8.926 -33.083 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.206 -9.670 -34.099 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.936 -9.114 -35.754 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.563 -8.239 -35.208 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.884 -8.308 -36.379 1.00 0.00 H new ATOM 590 N ASP A 39 -0.846 -9.917 -28.563 1.00 0.00 N ATOM 591 CA ASP A 39 -2.023 -10.747 -28.742 1.00 0.00 C ATOM 592 C ASP A 39 -2.964 -10.631 -27.559 1.00 0.00 C ATOM 593 O ASP A 39 -4.179 -10.561 -27.735 1.00 0.00 O ATOM 594 CB ASP A 39 -1.614 -12.197 -28.967 1.00 0.00 C ATOM 595 CG ASP A 39 -2.786 -13.114 -29.231 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.471 -12.939 -30.258 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.016 -14.031 -28.430 1.00 0.00 O ATOM 0 H ASP A 39 -0.243 -10.191 -27.787 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.558 -10.393 -29.623 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.926 -12.246 -29.811 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.072 -12.554 -28.092 1.00 0.00 H new ATOM 602 N ALA A 40 -2.408 -10.601 -26.361 1.00 0.00 N ATOM 603 CA ALA A 40 -3.212 -10.418 -25.165 1.00 0.00 C ATOM 604 C ALA A 40 -3.307 -8.932 -24.821 1.00 0.00 C ATOM 605 O ALA A 40 -4.345 -8.296 -25.031 1.00 0.00 O ATOM 606 CB ALA A 40 -2.639 -11.218 -24.003 1.00 0.00 C ATOM 0 H ALA A 40 -1.407 -10.700 -26.190 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.218 -10.790 -25.356 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.256 -11.067 -23.118 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.628 -12.277 -24.261 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.622 -10.884 -23.798 1.00 0.00 H new ATOM 612 N GLY A 41 -2.215 -8.380 -24.327 1.00 0.00 N ATOM 613 CA GLY A 41 -2.157 -6.976 -24.002 1.00 0.00 C ATOM 614 C GLY A 41 -0.731 -6.549 -23.810 1.00 0.00 C ATOM 615 O GLY A 41 0.121 -7.383 -23.514 1.00 0.00 O ATOM 0 H GLY A 41 -1.352 -8.891 -24.142 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.616 -6.391 -24.799 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.728 -6.781 -23.094 1.00 0.00 H new ATOM 619 N HIS A 42 -0.456 -5.268 -23.957 1.00 0.00 N ATOM 620 CA HIS A 42 0.912 -4.784 -23.867 1.00 0.00 C ATOM 621 C HIS A 42 1.343 -4.568 -22.433 1.00 0.00 C ATOM 622 O HIS A 42 1.507 -3.435 -21.973 1.00 0.00 O ATOM 623 CB HIS A 42 1.146 -3.540 -24.728 1.00 0.00 C ATOM 624 CG HIS A 42 1.276 -3.845 -26.186 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.245 -3.721 -27.092 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.339 -4.281 -26.893 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.675 -4.072 -28.289 1.00 0.00 C ATOM 628 NE2 HIS A 42 1.941 -4.413 -28.190 1.00 0.00 N ATOM 0 H HIS A 42 -1.154 -4.546 -24.138 1.00 0.00 H new ATOM 0 HA HIS A 42 1.547 -5.570 -24.275 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.319 -2.845 -24.582 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.050 -3.036 -24.387 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.325 -4.488 -26.503 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.088 -4.078 -29.195 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.531 -4.726 -28.961 1.00 0.00 H new ATOM 637 N LYS A 43 1.497 -5.666 -21.733 1.00 0.00 N ATOM 638 CA LYS A 43 1.898 -5.681 -20.348 1.00 0.00 C ATOM 639 C LYS A 43 2.647 -6.967 -20.071 1.00 0.00 C ATOM 640 O LYS A 43 2.431 -7.967 -20.759 1.00 0.00 O ATOM 641 CB LYS A 43 0.657 -5.599 -19.443 1.00 0.00 C ATOM 642 CG LYS A 43 -0.286 -6.796 -19.580 1.00 0.00 C ATOM 643 CD LYS A 43 -1.506 -6.713 -18.657 1.00 0.00 C ATOM 644 CE LYS A 43 -2.602 -5.786 -19.196 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.265 -4.348 -19.061 1.00 0.00 N ATOM 0 H LYS A 43 1.343 -6.597 -22.121 1.00 0.00 H new ATOM 0 HA LYS A 43 2.541 -4.825 -20.142 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.980 -5.520 -18.405 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.108 -4.687 -19.677 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.625 -6.867 -20.614 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.265 -7.711 -19.362 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.919 -7.712 -18.518 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.189 -6.360 -17.676 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.779 -6.015 -20.247 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.533 -5.986 -18.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.117 -3.815 -18.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.538 -4.229 -18.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.904 -3.990 -19.968 1.00 0.00 H new ATOM 659 N CYS A 44 3.531 -6.956 -19.098 1.00 0.00 N ATOM 660 CA CYS A 44 4.143 -8.187 -18.673 1.00 0.00 C ATOM 661 C CYS A 44 3.151 -8.963 -17.799 1.00 0.00 C ATOM 662 O CYS A 44 2.519 -8.390 -16.904 1.00 0.00 O ATOM 663 CB CYS A 44 5.487 -7.940 -17.967 1.00 0.00 C ATOM 664 SG CYS A 44 5.466 -6.647 -16.688 1.00 0.00 S ATOM 0 H CYS A 44 3.836 -6.122 -18.596 1.00 0.00 H new ATOM 0 HA CYS A 44 4.380 -8.794 -19.547 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.816 -8.874 -17.511 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.230 -7.673 -18.719 1.00 0.00 H new ATOM 0 HG CYS A 44 6.246 -6.994 -15.708 1.00 0.00 H new ATOM 669 N PRO A 45 2.994 -10.269 -18.052 1.00 0.00 N ATOM 670 CA PRO A 45 1.935 -11.088 -17.428 1.00 0.00 C ATOM 671 C PRO A 45 2.031 -11.184 -15.902 1.00 0.00 C ATOM 672 O PRO A 45 1.032 -11.428 -15.226 1.00 0.00 O ATOM 673 CB PRO A 45 2.136 -12.472 -18.069 1.00 0.00 C ATOM 674 CG PRO A 45 3.553 -12.465 -18.527 1.00 0.00 C ATOM 675 CD PRO A 45 3.818 -11.064 -18.980 1.00 0.00 C ATOM 0 HA PRO A 45 0.952 -10.648 -17.597 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.954 -13.272 -17.352 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.450 -12.628 -18.902 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.228 -12.751 -17.720 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.707 -13.176 -19.339 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.875 -10.807 -18.907 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.523 -10.910 -20.018 1.00 0.00 H new ATOM 683 N VAL A 46 3.219 -10.983 -15.363 1.00 0.00 N ATOM 684 CA VAL A 46 3.421 -11.157 -13.935 1.00 0.00 C ATOM 685 C VAL A 46 3.195 -9.878 -13.118 1.00 0.00 C ATOM 686 O VAL A 46 2.313 -9.840 -12.259 1.00 0.00 O ATOM 687 CB VAL A 46 4.788 -11.815 -13.595 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.748 -13.296 -13.935 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.928 -11.144 -14.357 1.00 0.00 C ATOM 0 H VAL A 46 4.050 -10.703 -15.884 1.00 0.00 H new ATOM 0 HA VAL A 46 2.641 -11.854 -13.630 1.00 0.00 H new ATOM 0 HB VAL A 46 4.968 -11.689 -12.527 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.709 -13.751 -13.694 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.962 -13.781 -13.356 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.544 -13.420 -14.999 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.871 -11.625 -14.099 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.754 -11.238 -15.429 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.974 -10.089 -14.088 1.00 0.00 H new ATOM 699 N ASP A 47 3.976 -8.841 -13.371 1.00 0.00 N ATOM 700 CA ASP A 47 3.870 -7.610 -12.583 1.00 0.00 C ATOM 701 C ASP A 47 3.085 -6.527 -13.309 1.00 0.00 C ATOM 702 O ASP A 47 2.952 -5.415 -12.808 1.00 0.00 O ATOM 703 CB ASP A 47 5.254 -7.094 -12.198 1.00 0.00 C ATOM 704 CG ASP A 47 6.151 -6.904 -13.390 1.00 0.00 C ATOM 705 OD1 ASP A 47 6.357 -7.856 -14.164 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.697 -5.817 -13.589 1.00 0.00 O ATOM 0 H ASP A 47 4.684 -8.819 -14.105 1.00 0.00 H new ATOM 0 HA ASP A 47 3.319 -7.859 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.151 -6.146 -11.671 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.720 -7.795 -11.505 1.00 0.00 H new ATOM 711 N ASN A 48 2.552 -6.875 -14.474 1.00 0.00 N ATOM 712 CA ASN A 48 1.605 -6.034 -15.232 1.00 0.00 C ATOM 713 C ASN A 48 2.131 -4.633 -15.560 1.00 0.00 C ATOM 714 O ASN A 48 1.363 -3.671 -15.603 1.00 0.00 O ATOM 715 CB ASN A 48 0.248 -5.949 -14.523 1.00 0.00 C ATOM 716 CG ASN A 48 -0.501 -7.279 -14.484 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.242 -8.155 -15.436 1.00 0.00 O flip ATOM 718 ND2 ASN A 48 -1.306 -7.518 -13.587 1.00 0.00 N flip ATOM 0 H ASN A 48 2.762 -7.761 -14.934 1.00 0.00 H new ATOM 0 HA ASN A 48 1.479 -6.537 -16.191 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.401 -5.597 -13.503 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.371 -5.207 -15.027 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.486 -6.821 -12.864 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.794 -8.413 -13.565 1.00 0.00 H new ATOM 725 N GLU A 49 3.409 -4.516 -15.821 1.00 0.00 N ATOM 726 CA GLU A 49 3.963 -3.256 -16.293 1.00 0.00 C ATOM 727 C GLU A 49 3.770 -3.151 -17.793 1.00 0.00 C ATOM 728 O GLU A 49 3.718 -4.171 -18.482 1.00 0.00 O ATOM 729 CB GLU A 49 5.443 -3.120 -15.924 1.00 0.00 C ATOM 730 CG GLU A 49 5.694 -2.915 -14.442 1.00 0.00 C ATOM 731 CD GLU A 49 5.118 -1.613 -13.938 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.465 -0.548 -14.497 1.00 0.00 O ATOM 733 OE2 GLU A 49 4.315 -1.637 -12.980 1.00 0.00 O ATOM 0 H GLU A 49 4.089 -5.270 -15.718 1.00 0.00 H new ATOM 0 HA GLU A 49 3.434 -2.439 -15.803 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.972 -4.015 -16.251 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.868 -2.280 -16.473 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.257 -3.743 -13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.767 -2.933 -14.252 1.00 0.00 H new ATOM 740 N ILE A 50 3.644 -1.930 -18.294 1.00 0.00 N ATOM 741 CA ILE A 50 3.405 -1.714 -19.716 1.00 0.00 C ATOM 742 C ILE A 50 4.623 -2.149 -20.518 1.00 0.00 C ATOM 743 O ILE A 50 5.736 -1.654 -20.308 1.00 0.00 O ATOM 744 CB ILE A 50 3.046 -0.229 -20.050 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.713 0.197 -19.407 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.991 0.001 -21.556 1.00 0.00 C ATOM 747 CD1 ILE A 50 1.766 0.446 -17.911 1.00 0.00 C ATOM 0 H ILE A 50 3.703 -1.076 -17.740 1.00 0.00 H new ATOM 0 HA ILE A 50 2.542 -2.320 -19.992 1.00 0.00 H new ATOM 0 HB ILE A 50 3.840 0.388 -19.629 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.366 1.106 -19.898 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.970 -0.576 -19.604 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.739 1.042 -21.756 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.962 -0.228 -21.995 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.232 -0.647 -21.995 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.778 0.740 -17.556 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.078 -0.466 -17.401 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.480 1.242 -17.700 1.00 0.00 H new ATOM 759 N LEU A 51 4.415 -3.084 -21.414 1.00 0.00 N ATOM 760 CA LEU A 51 5.500 -3.641 -22.173 1.00 0.00 C ATOM 761 C LEU A 51 5.225 -3.566 -23.670 1.00 0.00 C ATOM 762 O LEU A 51 4.165 -3.962 -24.137 1.00 0.00 O ATOM 763 CB LEU A 51 5.759 -5.077 -21.732 1.00 0.00 C ATOM 764 CG LEU A 51 6.936 -5.785 -22.388 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.233 -5.047 -22.096 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.019 -7.210 -21.891 1.00 0.00 C ATOM 0 H LEU A 51 3.498 -3.474 -21.633 1.00 0.00 H new ATOM 0 HA LEU A 51 6.396 -3.050 -21.980 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.917 -5.080 -20.653 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.859 -5.661 -21.924 1.00 0.00 H new ATOM 0 HG LEU A 51 6.783 -5.794 -23.467 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.063 -5.568 -22.573 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.169 -4.031 -22.486 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.397 -5.012 -21.019 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.863 -7.712 -22.364 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.156 -7.211 -20.810 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.098 -7.737 -22.141 1.00 0.00 H new ATOM 778 N LEU A 52 6.185 -3.052 -24.407 1.00 0.00 N ATOM 779 CA LEU A 52 6.085 -2.943 -25.855 1.00 0.00 C ATOM 780 C LEU A 52 7.114 -3.850 -26.507 1.00 0.00 C ATOM 781 O LEU A 52 8.125 -4.185 -25.886 1.00 0.00 O ATOM 782 CB LEU A 52 6.286 -1.486 -26.334 1.00 0.00 C ATOM 783 CG LEU A 52 5.229 -0.440 -25.926 1.00 0.00 C ATOM 784 CD1 LEU A 52 3.826 -0.897 -26.292 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.334 -0.069 -24.452 1.00 0.00 C ATOM 0 H LEU A 52 7.060 -2.696 -24.023 1.00 0.00 H new ATOM 0 HA LEU A 52 5.082 -3.252 -26.148 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.254 -1.144 -25.967 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.343 -1.497 -27.422 1.00 0.00 H new ATOM 0 HG LEU A 52 5.437 0.466 -26.495 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.105 -0.137 -25.991 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.763 -1.050 -27.369 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.603 -1.832 -25.779 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.571 0.670 -24.208 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.185 -0.959 -23.841 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.321 0.348 -24.251 1.00 0.00 H new ATOM 797 N GLU A 53 6.862 -4.240 -27.746 1.00 0.00 N ATOM 798 CA GLU A 53 7.751 -5.131 -28.487 1.00 0.00 C ATOM 799 C GLU A 53 9.132 -4.495 -28.659 1.00 0.00 C ATOM 800 O GLU A 53 10.150 -5.165 -28.534 1.00 0.00 O ATOM 801 CB GLU A 53 7.170 -5.472 -29.873 1.00 0.00 C ATOM 802 CG GLU A 53 5.861 -6.270 -29.860 1.00 0.00 C ATOM 803 CD GLU A 53 4.621 -5.419 -29.609 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.753 -4.216 -29.331 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.497 -5.954 -29.687 1.00 0.00 O ATOM 0 H GLU A 53 6.036 -3.950 -28.270 1.00 0.00 H new ATOM 0 HA GLU A 53 7.846 -6.051 -27.910 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.003 -4.542 -30.417 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.915 -6.039 -30.431 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.750 -6.783 -30.815 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.924 -7.039 -29.090 1.00 0.00 H new ATOM 812 N ASN A 54 9.164 -3.194 -28.907 1.00 0.00 N ATOM 813 CA ASN A 54 10.441 -2.486 -29.079 1.00 0.00 C ATOM 814 C ASN A 54 11.149 -2.277 -27.738 1.00 0.00 C ATOM 815 O ASN A 54 12.303 -1.868 -27.695 1.00 0.00 O ATOM 816 CB ASN A 54 10.263 -1.136 -29.805 1.00 0.00 C ATOM 817 CG ASN A 54 9.500 -0.095 -28.994 1.00 0.00 C ATOM 818 OD1 ASN A 54 10.082 0.640 -28.196 1.00 0.00 O ATOM 819 ND2 ASN A 54 8.202 -0.011 -29.202 1.00 0.00 N ATOM 0 H ASN A 54 8.335 -2.606 -28.994 1.00 0.00 H new ATOM 0 HA ASN A 54 11.066 -3.122 -29.706 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.246 -0.737 -30.057 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.738 -1.306 -30.745 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.648 0.679 -28.695 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.751 -0.636 -29.871 1.00 0.00 H new ATOM 826 N GLN A 55 10.448 -2.553 -26.653 1.00 0.00 N ATOM 827 CA GLN A 55 11.010 -2.432 -25.310 1.00 0.00 C ATOM 828 C GLN A 55 11.626 -3.750 -24.854 1.00 0.00 C ATOM 829 O GLN A 55 12.260 -3.828 -23.798 1.00 0.00 O ATOM 830 CB GLN A 55 9.954 -1.938 -24.320 1.00 0.00 C ATOM 831 CG GLN A 55 9.473 -0.527 -24.619 1.00 0.00 C ATOM 832 CD GLN A 55 10.572 0.506 -24.452 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.323 0.791 -25.385 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.671 1.074 -23.272 1.00 0.00 N ATOM 0 H GLN A 55 9.477 -2.866 -26.672 1.00 0.00 H new ATOM 0 HA GLN A 55 11.808 -1.690 -25.342 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.102 -2.618 -24.337 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.367 -1.969 -23.312 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.090 -0.485 -25.639 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.643 -0.281 -23.957 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.030 0.811 -22.524 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.389 1.778 -23.104 1.00 0.00 H new ATOM 843 N LEU A 56 11.412 -4.786 -25.648 1.00 0.00 N ATOM 844 CA LEU A 56 11.944 -6.108 -25.372 1.00 0.00 C ATOM 845 C LEU A 56 13.435 -6.155 -25.643 1.00 0.00 C ATOM 846 O LEU A 56 13.945 -5.354 -26.423 1.00 0.00 O ATOM 847 CB LEU A 56 11.236 -7.158 -26.221 1.00 0.00 C ATOM 848 CG LEU A 56 9.747 -7.343 -25.963 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.163 -8.330 -26.949 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.510 -7.811 -24.540 1.00 0.00 C ATOM 0 H LEU A 56 10.862 -4.732 -26.505 1.00 0.00 H new ATOM 0 HA LEU A 56 11.770 -6.326 -24.318 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.371 -6.897 -27.271 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.732 -8.116 -26.064 1.00 0.00 H new ATOM 0 HG LEU A 56 9.249 -6.383 -26.097 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.098 -8.453 -26.753 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.305 -7.958 -27.964 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.665 -9.292 -26.842 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.441 -7.938 -24.372 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.018 -8.762 -24.380 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.901 -7.069 -23.843 1.00 0.00 H new