USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 309 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 12 THR OG1 : rot 180:sc= -0.823 USER MOD Single : A 13 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.094) USER MOD Single : A 18 GLN : amide:sc= -6.26! C(o=-6.3!,f=-12!) USER MOD Single : A 25 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.85) USER MOD Single : A 28 GLN : amide:sc= -0.0672 X(o=-0.067,f=-0.32) USER MOD Single : A 29 GLN : amide:sc=-0.00894 K(o=-0.0089,f=-2.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -1.64! C(o=-1.6!,f=-13!) USER MOD Single : A 40 ASN : amide:sc=-0.00324 X(o=-0.0032,f=-0.013) USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00218 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc=-0.00212 K(o=-0.0021,f=-1.5!) USER MOD Single : A 46 CYS SG : rot -160:sc= -0.0641 USER MOD Single : A 47 GLN : amide:sc= -8.59! C(o=-8.6!,f=-10!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0219 USER MOD ----------------------------------------------------------------- ATOM 112 N TRP A 11 7.007 -4.524 -4.833 1.00 0.00 N ATOM 113 CA TRP A 11 6.780 -4.640 -3.402 1.00 0.00 C ATOM 114 C TRP A 11 7.029 -6.095 -3.000 1.00 0.00 C ATOM 115 O TRP A 11 7.112 -6.973 -3.858 1.00 0.00 O ATOM 116 CB TRP A 11 5.382 -4.146 -3.027 1.00 0.00 C ATOM 117 CG TRP A 11 5.316 -2.652 -2.705 1.00 0.00 C ATOM 118 CD1 TRP A 11 5.792 -1.629 -3.428 1.00 0.00 C ATOM 119 CD2 TRP A 11 4.715 -2.050 -1.539 1.00 0.00 C ATOM 120 NE1 TRP A 11 5.544 -0.417 -2.817 1.00 0.00 N ATOM 121 CE2 TRP A 11 4.868 -0.681 -1.631 1.00 0.00 C ATOM 122 CE3 TRP A 11 4.065 -2.641 -0.442 1.00 0.00 C ATOM 123 CZ2 TRP A 11 4.397 0.210 -0.660 1.00 0.00 C ATOM 124 CZ3 TRP A 11 3.599 -1.737 0.520 1.00 0.00 C ATOM 125 CH2 TRP A 11 3.746 -0.356 0.442 1.00 0.00 C ATOM 0 HA TRP A 11 7.471 -4.004 -2.849 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.699 -4.361 -3.849 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.028 -4.709 -2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.306 -1.739 -4.372 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.808 0.503 -3.170 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.935 -3.709 -0.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.529 1.278 -0.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.090 -2.140 1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.360 0.276 1.228 1.00 0.00 H new ATOM 135 N THR A 12 7.140 -6.304 -1.697 1.00 0.00 N ATOM 136 CA THR A 12 7.377 -7.638 -1.171 1.00 0.00 C ATOM 137 C THR A 12 6.279 -8.022 -0.178 1.00 0.00 C ATOM 138 O THR A 12 5.689 -7.156 0.467 1.00 0.00 O ATOM 139 CB THR A 12 8.782 -7.664 -0.565 1.00 0.00 C ATOM 140 OG1 THR A 12 8.784 -6.575 0.353 1.00 0.00 O ATOM 141 CG2 THR A 12 9.865 -7.297 -1.581 1.00 0.00 C ATOM 0 H THR A 12 7.070 -5.572 -0.990 1.00 0.00 H new ATOM 0 HA THR A 12 7.334 -8.389 -1.960 1.00 0.00 H new ATOM 0 HB THR A 12 8.985 -8.656 -0.161 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.658 -6.519 0.793 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.842 -7.331 -1.099 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.843 -8.007 -2.408 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.682 -6.292 -1.961 1.00 0.00 H new ATOM 149 N HIS A 13 6.037 -9.322 -0.085 1.00 0.00 N ATOM 150 CA HIS A 13 5.021 -9.831 0.820 1.00 0.00 C ATOM 151 C HIS A 13 5.065 -9.050 2.134 1.00 0.00 C ATOM 152 O HIS A 13 4.045 -8.536 2.589 1.00 0.00 O ATOM 153 CB HIS A 13 5.180 -11.340 1.020 1.00 0.00 C ATOM 154 CG HIS A 13 4.183 -12.170 0.247 1.00 0.00 C ATOM 155 ND1 HIS A 13 4.495 -13.407 -0.291 1.00 0.00 N ATOM 156 CD2 HIS A 13 2.879 -11.930 -0.073 1.00 0.00 C ATOM 157 CE1 HIS A 13 3.420 -13.880 -0.904 1.00 0.00 C ATOM 158 NE2 HIS A 13 2.420 -12.961 -0.769 1.00 0.00 N ATOM 0 H HIS A 13 6.527 -10.038 -0.622 1.00 0.00 H new ATOM 0 HA HIS A 13 4.033 -9.683 0.384 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.188 -11.631 0.723 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.082 -11.568 2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.315 -11.049 0.195 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.348 -14.826 -1.420 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.475 -13.052 -1.142 1.00 0.00 H new ATOM 165 N GLU A 14 6.258 -8.987 2.708 1.00 0.00 N ATOM 166 CA GLU A 14 6.448 -8.277 3.961 1.00 0.00 C ATOM 167 C GLU A 14 5.717 -6.934 3.927 1.00 0.00 C ATOM 168 O GLU A 14 4.839 -6.679 4.750 1.00 0.00 O ATOM 169 CB GLU A 14 7.937 -8.084 4.260 1.00 0.00 C ATOM 170 CG GLU A 14 8.269 -8.518 5.690 1.00 0.00 C ATOM 171 CD GLU A 14 9.731 -8.956 5.803 1.00 0.00 C ATOM 172 OE1 GLU A 14 10.579 -8.490 5.028 1.00 0.00 O ATOM 173 OE2 GLU A 14 9.973 -9.811 6.739 1.00 0.00 O ATOM 0 H GLU A 14 7.102 -9.416 2.328 1.00 0.00 H new ATOM 0 HA GLU A 14 6.024 -8.878 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.532 -8.662 3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.207 -7.037 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.078 -7.694 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.616 -9.339 5.986 1.00 0.00 H new ATOM 179 N GLU A 15 6.106 -6.108 2.966 1.00 0.00 N ATOM 180 CA GLU A 15 5.499 -4.797 2.814 1.00 0.00 C ATOM 181 C GLU A 15 3.981 -4.929 2.664 1.00 0.00 C ATOM 182 O GLU A 15 3.225 -4.388 3.469 1.00 0.00 O ATOM 183 CB GLU A 15 6.103 -4.047 1.626 1.00 0.00 C ATOM 184 CG GLU A 15 7.611 -3.857 1.807 1.00 0.00 C ATOM 185 CD GLU A 15 7.942 -3.424 3.237 1.00 0.00 C ATOM 186 OE1 GLU A 15 7.909 -4.253 4.159 1.00 0.00 O ATOM 187 OE2 GLU A 15 8.240 -2.176 3.373 1.00 0.00 O ATOM 0 H GLU A 15 6.834 -6.322 2.285 1.00 0.00 H new ATOM 0 HA GLU A 15 5.707 -4.216 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.910 -4.600 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.620 -3.075 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.129 -4.788 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.974 -3.108 1.103 1.00 0.00 H new ATOM 193 N ASP A 16 3.582 -5.653 1.628 1.00 0.00 N ATOM 194 CA ASP A 16 2.169 -5.863 1.363 1.00 0.00 C ATOM 195 C ASP A 16 1.442 -6.133 2.682 1.00 0.00 C ATOM 196 O ASP A 16 0.553 -5.377 3.070 1.00 0.00 O ATOM 197 CB ASP A 16 1.955 -7.071 0.448 1.00 0.00 C ATOM 198 CG ASP A 16 0.570 -7.717 0.545 1.00 0.00 C ATOM 199 OD1 ASP A 16 -0.365 -7.139 1.119 1.00 0.00 O ATOM 200 OD2 ASP A 16 0.471 -8.878 -0.009 1.00 0.00 O ATOM 0 H ASP A 16 4.212 -6.101 0.963 1.00 0.00 H new ATOM 0 HA ASP A 16 1.780 -4.969 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.124 -6.761 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.708 -7.824 0.682 1.00 0.00 H new ATOM 205 N GLU A 17 1.847 -7.212 3.334 1.00 0.00 N ATOM 206 CA GLU A 17 1.244 -7.592 4.600 1.00 0.00 C ATOM 207 C GLU A 17 1.187 -6.386 5.543 1.00 0.00 C ATOM 208 O GLU A 17 0.157 -6.127 6.163 1.00 0.00 O ATOM 209 CB GLU A 17 2.003 -8.754 5.243 1.00 0.00 C ATOM 210 CG GLU A 17 1.789 -10.049 4.458 1.00 0.00 C ATOM 211 CD GLU A 17 0.487 -10.736 4.877 1.00 0.00 C ATOM 212 OE1 GLU A 17 0.096 -10.658 6.051 1.00 0.00 O ATOM 213 OE2 GLU A 17 -0.124 -11.369 3.934 1.00 0.00 O ATOM 0 H GLU A 17 2.586 -7.836 3.009 1.00 0.00 H new ATOM 0 HA GLU A 17 0.225 -7.929 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.067 -8.520 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.667 -8.888 6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.762 -9.831 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.630 -10.723 4.625 1.00 0.00 H new ATOM 219 N GLN A 18 2.307 -5.682 5.620 1.00 0.00 N ATOM 220 CA GLN A 18 2.398 -4.513 6.475 1.00 0.00 C ATOM 221 C GLN A 18 1.254 -3.543 6.172 1.00 0.00 C ATOM 222 O GLN A 18 0.430 -3.258 7.041 1.00 0.00 O ATOM 223 CB GLN A 18 3.755 -3.823 6.320 1.00 0.00 C ATOM 224 CG GLN A 18 4.531 -3.836 7.639 1.00 0.00 C ATOM 225 CD GLN A 18 3.724 -3.171 8.756 1.00 0.00 C ATOM 226 OE1 GLN A 18 3.727 -1.963 8.925 1.00 0.00 O ATOM 227 NE2 GLN A 18 3.033 -4.025 9.507 1.00 0.00 N ATOM 0 H GLN A 18 3.159 -5.900 5.103 1.00 0.00 H new ATOM 0 HA GLN A 18 2.309 -4.839 7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.336 -4.326 5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.608 -2.794 5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.766 -4.864 7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.480 -3.316 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.075 -5.025 9.311 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.462 -3.679 10.278 1.00 0.00 H new ATOM 234 N LEU A 19 1.237 -3.064 4.937 1.00 0.00 N ATOM 235 CA LEU A 19 0.207 -2.133 4.508 1.00 0.00 C ATOM 236 C LEU A 19 -1.168 -2.702 4.863 1.00 0.00 C ATOM 237 O LEU A 19 -1.999 -2.009 5.447 1.00 0.00 O ATOM 238 CB LEU A 19 0.370 -1.799 3.025 1.00 0.00 C ATOM 239 CG LEU A 19 -0.479 -0.640 2.501 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.356 0.585 3.408 1.00 0.00 C ATOM 241 CD2 LEU A 19 -0.126 -0.315 1.048 1.00 0.00 C ATOM 0 H LEU A 19 1.921 -3.303 4.219 1.00 0.00 H new ATOM 0 HA LEU A 19 0.307 -1.185 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.419 -1.568 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.131 -2.690 2.444 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.524 -0.948 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.970 1.394 3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.695 0.330 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.685 0.905 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.744 0.513 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.925 -0.035 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.308 -1.191 0.425 1.00 0.00 H new ATOM 252 N ARG A 20 -1.365 -3.960 4.494 1.00 0.00 N ATOM 253 CA ARG A 20 -2.625 -4.630 4.766 1.00 0.00 C ATOM 254 C ARG A 20 -3.049 -4.396 6.217 1.00 0.00 C ATOM 255 O ARG A 20 -4.171 -3.964 6.479 1.00 0.00 O ATOM 256 CB ARG A 20 -2.516 -6.134 4.511 1.00 0.00 C ATOM 257 CG ARG A 20 -2.885 -6.474 3.065 1.00 0.00 C ATOM 258 CD ARG A 20 -3.579 -7.834 2.980 1.00 0.00 C ATOM 259 NE ARG A 20 -4.999 -7.655 2.602 1.00 0.00 N ATOM 260 CZ ARG A 20 -5.793 -8.649 2.150 1.00 0.00 C ATOM 261 NH1 ARG A 20 -5.311 -9.904 2.016 1.00 0.00 N ATOM 262 NH2 ARG A 20 -7.046 -8.376 1.840 1.00 0.00 N ATOM 0 H ARG A 20 -0.673 -4.532 4.009 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.374 -4.212 4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.500 -6.469 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.175 -6.671 5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.541 -5.702 2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.986 -6.482 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.075 -8.463 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.511 -8.347 3.940 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.403 -6.722 2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.341 -10.106 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.917 -10.649 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.401 -7.426 1.943 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.659 -9.115 1.497 1.00 0.00 H new ATOM 272 N ALA A 21 -2.129 -4.692 7.124 1.00 0.00 N ATOM 273 CA ALA A 21 -2.394 -4.519 8.542 1.00 0.00 C ATOM 274 C ALA A 21 -2.432 -3.027 8.871 1.00 0.00 C ATOM 275 O ALA A 21 -3.413 -2.535 9.429 1.00 0.00 O ATOM 276 CB ALA A 21 -1.333 -5.267 9.354 1.00 0.00 C ATOM 0 H ALA A 21 -1.200 -5.050 6.904 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.365 -4.940 8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.531 -5.138 10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.365 -6.328 9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.346 -4.869 9.118 1.00 0.00 H new ATOM 282 N LEU A 22 -1.353 -2.345 8.513 1.00 0.00 N ATOM 283 CA LEU A 22 -1.252 -0.918 8.763 1.00 0.00 C ATOM 284 C LEU A 22 -2.589 -0.250 8.434 1.00 0.00 C ATOM 285 O LEU A 22 -2.961 0.743 9.058 1.00 0.00 O ATOM 286 CB LEU A 22 -0.066 -0.323 8.002 1.00 0.00 C ATOM 287 CG LEU A 22 1.319 -0.618 8.582 1.00 0.00 C ATOM 288 CD1 LEU A 22 2.410 0.109 7.795 1.00 0.00 C ATOM 289 CD2 LEU A 22 1.371 -0.285 10.075 1.00 0.00 C ATOM 0 H LEU A 22 -0.541 -2.755 8.052 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.052 -0.731 9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.095 -0.693 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.196 0.758 7.955 1.00 0.00 H new ATOM 0 HG LEU A 22 1.509 -1.687 8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.384 -0.118 8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.390 -0.220 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.235 1.184 7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.366 -0.504 10.462 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.150 0.772 10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.634 -0.886 10.608 1.00 0.00 H new ATOM 300 N VAL A 23 -3.275 -0.822 7.456 1.00 0.00 N ATOM 301 CA VAL A 23 -4.562 -0.295 7.037 1.00 0.00 C ATOM 302 C VAL A 23 -5.588 -0.522 8.149 1.00 0.00 C ATOM 303 O VAL A 23 -6.127 0.434 8.706 1.00 0.00 O ATOM 304 CB VAL A 23 -4.977 -0.923 5.704 1.00 0.00 C ATOM 305 CG1 VAL A 23 -6.429 -0.579 5.364 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.034 -0.495 4.579 1.00 0.00 C ATOM 0 H VAL A 23 -2.964 -1.646 6.941 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.497 0.780 6.868 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.905 -2.006 5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.698 -1.037 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.086 -0.957 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.539 0.503 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.351 -0.955 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.059 0.590 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.019 -0.814 4.814 1.00 0.00 H new ATOM 316 N ARG A 24 -5.826 -1.792 8.441 1.00 0.00 N ATOM 317 CA ARG A 24 -6.777 -2.157 9.477 1.00 0.00 C ATOM 318 C ARG A 24 -6.342 -1.577 10.824 1.00 0.00 C ATOM 319 O ARG A 24 -7.181 -1.223 11.652 1.00 0.00 O ATOM 320 CB ARG A 24 -6.901 -3.677 9.600 1.00 0.00 C ATOM 321 CG ARG A 24 -5.881 -4.231 10.596 1.00 0.00 C ATOM 322 CD ARG A 24 -5.719 -5.744 10.430 1.00 0.00 C ATOM 323 NE ARG A 24 -6.068 -6.432 11.693 1.00 0.00 N ATOM 324 CZ ARG A 24 -5.252 -6.502 12.766 1.00 0.00 C ATOM 325 NH1 ARG A 24 -4.032 -5.926 12.739 1.00 0.00 N ATOM 326 NH2 ARG A 24 -5.666 -7.144 13.844 1.00 0.00 N ATOM 0 H ARG A 24 -5.376 -2.582 7.978 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.747 -1.746 9.197 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.909 -3.938 9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.749 -4.138 8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.919 -3.740 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.201 -4.005 11.613 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.360 -6.100 9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.692 -5.980 10.150 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.982 -6.881 11.757 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.719 -5.432 11.903 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.422 -5.984 13.555 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.589 -7.577 13.857 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.062 -7.207 14.664 1.00 0.00 H new ATOM 336 N GLN A 25 -5.032 -1.497 11.003 1.00 0.00 N ATOM 337 CA GLN A 25 -4.476 -0.966 12.236 1.00 0.00 C ATOM 338 C GLN A 25 -5.237 0.289 12.665 1.00 0.00 C ATOM 339 O GLN A 25 -5.917 0.287 13.689 1.00 0.00 O ATOM 340 CB GLN A 25 -2.981 -0.675 12.083 1.00 0.00 C ATOM 341 CG GLN A 25 -2.206 -1.114 13.327 1.00 0.00 C ATOM 342 CD GLN A 25 -2.427 -2.601 13.615 1.00 0.00 C ATOM 343 OE1 GLN A 25 -2.052 -3.470 12.845 1.00 0.00 O ATOM 344 NE2 GLN A 25 -3.053 -2.843 14.762 1.00 0.00 N ATOM 0 H GLN A 25 -4.339 -1.791 10.315 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.588 -1.719 13.016 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.594 -1.195 11.207 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.830 0.391 11.914 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.143 -0.922 13.184 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.524 -0.522 14.186 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.340 -2.068 15.360 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.247 -3.804 15.044 1.00 0.00 H new ATOM 351 N PHE A 26 -5.097 1.332 11.858 1.00 0.00 N ATOM 352 CA PHE A 26 -5.764 2.592 12.142 1.00 0.00 C ATOM 353 C PHE A 26 -6.831 2.896 11.088 1.00 0.00 C ATOM 354 O PHE A 26 -7.966 3.228 11.427 1.00 0.00 O ATOM 355 CB PHE A 26 -4.694 3.684 12.097 1.00 0.00 C ATOM 356 CG PHE A 26 -3.396 3.314 12.818 1.00 0.00 C ATOM 357 CD1 PHE A 26 -2.397 2.685 12.142 1.00 0.00 C ATOM 358 CD2 PHE A 26 -3.242 3.614 14.136 1.00 0.00 C ATOM 359 CE1 PHE A 26 -1.193 2.342 12.812 1.00 0.00 C ATOM 360 CE2 PHE A 26 -2.037 3.271 14.805 1.00 0.00 C ATOM 361 CZ PHE A 26 -1.038 2.643 14.129 1.00 0.00 C ATOM 0 H PHE A 26 -4.532 1.330 11.009 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.255 2.543 13.114 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.467 3.913 11.056 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.098 4.593 12.542 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.520 2.447 11.096 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.035 4.113 14.673 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.400 1.842 12.276 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.914 3.509 15.851 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.122 2.383 14.638 1.00 0.00 H new ATOM 370 N GLY A 27 -6.429 2.771 9.832 1.00 0.00 N ATOM 371 CA GLY A 27 -7.337 3.028 8.727 1.00 0.00 C ATOM 372 C GLY A 27 -6.577 3.532 7.498 1.00 0.00 C ATOM 373 O GLY A 27 -5.788 4.470 7.594 1.00 0.00 O ATOM 0 H GLY A 27 -5.487 2.495 9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.877 2.115 8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.081 3.766 9.027 1.00 0.00 H new ATOM 377 N GLN A 28 -6.841 2.885 6.373 1.00 0.00 N ATOM 378 CA GLN A 28 -6.192 3.256 5.127 1.00 0.00 C ATOM 379 C GLN A 28 -6.432 4.736 4.823 1.00 0.00 C ATOM 380 O GLN A 28 -5.589 5.393 4.213 1.00 0.00 O ATOM 381 CB GLN A 28 -6.674 2.373 3.974 1.00 0.00 C ATOM 382 CG GLN A 28 -8.177 2.111 4.075 1.00 0.00 C ATOM 383 CD GLN A 28 -8.863 2.316 2.723 1.00 0.00 C ATOM 384 OE1 GLN A 28 -8.637 3.291 2.025 1.00 0.00 O ATOM 385 NE2 GLN A 28 -9.711 1.347 2.393 1.00 0.00 N ATOM 0 H GLN A 28 -7.495 2.106 6.298 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.119 3.098 5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.449 2.856 3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.135 1.426 3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.349 1.093 4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.617 2.780 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.854 0.558 3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.219 1.393 1.509 1.00 0.00 H new ATOM 392 N GLN A 29 -7.585 5.218 5.262 1.00 0.00 N ATOM 393 CA GLN A 29 -7.948 6.608 5.044 1.00 0.00 C ATOM 394 C GLN A 29 -6.724 7.509 5.224 1.00 0.00 C ATOM 395 O GLN A 29 -6.481 8.401 4.413 1.00 0.00 O ATOM 396 CB GLN A 29 -9.083 7.031 5.978 1.00 0.00 C ATOM 397 CG GLN A 29 -10.354 7.349 5.187 1.00 0.00 C ATOM 398 CD GLN A 29 -10.315 8.775 4.635 1.00 0.00 C ATOM 399 OE1 GLN A 29 -9.293 9.442 4.639 1.00 0.00 O ATOM 400 NE2 GLN A 29 -11.480 9.205 4.162 1.00 0.00 N ATOM 0 H GLN A 29 -8.281 4.670 5.768 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.306 6.714 4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.286 6.234 6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.779 7.906 6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.462 6.640 4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.226 7.228 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.297 8.596 4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.557 10.144 3.772 1.00 0.00 H new ATOM 407 N ASP A 30 -5.986 7.244 6.293 1.00 0.00 N ATOM 408 CA ASP A 30 -4.794 8.021 6.590 1.00 0.00 C ATOM 409 C ASP A 30 -3.573 7.322 5.988 1.00 0.00 C ATOM 410 O ASP A 30 -2.781 6.719 6.710 1.00 0.00 O ATOM 411 CB ASP A 30 -4.576 8.139 8.099 1.00 0.00 C ATOM 412 CG ASP A 30 -5.293 9.314 8.766 1.00 0.00 C ATOM 413 OD1 ASP A 30 -6.522 9.304 8.931 1.00 0.00 O ATOM 414 OD2 ASP A 30 -4.524 10.285 9.131 1.00 0.00 O ATOM 0 H ASP A 30 -6.190 6.503 6.963 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.925 9.017 6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.908 7.215 8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.507 8.229 8.290 1.00 0.00 H new ATOM 419 N TRP A 31 -3.459 7.427 4.672 1.00 0.00 N ATOM 420 CA TRP A 31 -2.349 6.814 3.966 1.00 0.00 C ATOM 421 C TRP A 31 -1.073 7.573 4.339 1.00 0.00 C ATOM 422 O TRP A 31 -0.052 6.962 4.653 1.00 0.00 O ATOM 423 CB TRP A 31 -2.606 6.784 2.458 1.00 0.00 C ATOM 424 CG TRP A 31 -3.727 5.831 2.037 1.00 0.00 C ATOM 425 CD1 TRP A 31 -5.014 6.122 1.806 1.00 0.00 C ATOM 426 CD2 TRP A 31 -3.607 4.412 1.805 1.00 0.00 C ATOM 427 NE1 TRP A 31 -5.730 5.000 1.443 1.00 0.00 N ATOM 428 CE2 TRP A 31 -4.846 3.927 1.443 1.00 0.00 C ATOM 429 CE3 TRP A 31 -2.488 3.566 1.898 1.00 0.00 C ATOM 430 CZ2 TRP A 31 -5.085 2.579 1.145 1.00 0.00 C ATOM 431 CZ3 TRP A 31 -2.743 2.223 1.597 1.00 0.00 C ATOM 432 CH2 TRP A 31 -3.985 1.718 1.231 1.00 0.00 C ATOM 0 H TRP A 31 -4.118 7.928 4.077 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.234 5.771 4.262 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -2.854 7.791 2.122 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.687 6.495 1.949 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.438 7.111 1.893 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.724 4.964 1.217 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.509 3.924 2.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.065 2.223 0.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.916 1.530 1.653 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -4.101 0.666 1.014 1.00 0.00 H new ATOM 442 N LYS A 32 -1.173 8.893 4.292 1.00 0.00 N ATOM 443 CA LYS A 32 -0.041 9.742 4.622 1.00 0.00 C ATOM 444 C LYS A 32 0.711 9.141 5.812 1.00 0.00 C ATOM 445 O LYS A 32 1.926 8.955 5.753 1.00 0.00 O ATOM 446 CB LYS A 32 -0.500 11.184 4.848 1.00 0.00 C ATOM 447 CG LYS A 32 -0.383 12.004 3.562 1.00 0.00 C ATOM 448 CD LYS A 32 0.172 13.400 3.852 1.00 0.00 C ATOM 449 CE LYS A 32 -0.958 14.425 3.972 1.00 0.00 C ATOM 450 NZ LYS A 32 -0.947 15.348 2.815 1.00 0.00 N ATOM 0 H LYS A 32 -2.021 9.396 4.030 1.00 0.00 H new ATOM 0 HA LYS A 32 0.661 9.783 3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.533 11.190 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.102 11.643 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.268 11.489 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.362 12.088 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.750 13.381 4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.854 13.697 3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.918 13.912 4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.847 14.991 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.720 16.037 2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.037 15.851 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.076 14.806 1.937 1.00 0.00 H new ATOM 459 N PHE A 33 -0.042 8.855 6.864 1.00 0.00 N ATOM 460 CA PHE A 33 0.539 8.281 8.066 1.00 0.00 C ATOM 461 C PHE A 33 1.113 6.890 7.785 1.00 0.00 C ATOM 462 O PHE A 33 2.262 6.610 8.125 1.00 0.00 O ATOM 463 CB PHE A 33 -0.590 8.156 9.091 1.00 0.00 C ATOM 464 CG PHE A 33 -0.235 7.293 10.304 1.00 0.00 C ATOM 465 CD1 PHE A 33 1.006 7.369 10.853 1.00 0.00 C ATOM 466 CD2 PHE A 33 -1.162 6.450 10.833 1.00 0.00 C ATOM 467 CE1 PHE A 33 1.335 6.568 11.979 1.00 0.00 C ATOM 468 CE2 PHE A 33 -0.833 5.649 11.959 1.00 0.00 C ATOM 469 CZ PHE A 33 0.408 5.726 12.508 1.00 0.00 C ATOM 0 H PHE A 33 -1.049 9.010 6.909 1.00 0.00 H new ATOM 0 HA PHE A 33 1.349 8.914 8.428 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.867 9.153 9.435 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.467 7.733 8.601 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.742 8.039 10.433 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.148 6.390 10.397 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.321 6.628 12.415 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.569 4.979 12.379 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.658 5.118 13.365 1.00 0.00 H new ATOM 478 N LEU A 34 0.287 6.057 7.170 1.00 0.00 N ATOM 479 CA LEU A 34 0.699 4.703 6.841 1.00 0.00 C ATOM 480 C LEU A 34 2.091 4.738 6.206 1.00 0.00 C ATOM 481 O LEU A 34 3.049 4.215 6.773 1.00 0.00 O ATOM 482 CB LEU A 34 -0.357 4.018 5.970 1.00 0.00 C ATOM 483 CG LEU A 34 -1.713 3.769 6.633 1.00 0.00 C ATOM 484 CD1 LEU A 34 -2.772 3.403 5.592 1.00 0.00 C ATOM 485 CD2 LEU A 34 -1.600 2.711 7.732 1.00 0.00 C ATOM 0 H LEU A 34 -0.665 6.293 6.891 1.00 0.00 H new ATOM 0 HA LEU A 34 0.775 4.098 7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.516 4.627 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.042 3.061 5.634 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.036 4.695 7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.727 3.231 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.877 4.219 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.468 2.498 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.578 2.553 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.245 1.775 7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.897 3.050 8.492 1.00 0.00 H new ATOM 496 N ALA A 35 2.158 5.359 5.038 1.00 0.00 N ATOM 497 CA ALA A 35 3.416 5.468 4.320 1.00 0.00 C ATOM 498 C ALA A 35 4.543 5.759 5.315 1.00 0.00 C ATOM 499 O ALA A 35 5.622 5.177 5.222 1.00 0.00 O ATOM 500 CB ALA A 35 3.298 6.548 3.243 1.00 0.00 C ATOM 0 H ALA A 35 1.361 5.792 4.571 1.00 0.00 H new ATOM 0 HA ALA A 35 3.653 4.530 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.242 6.630 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.504 6.281 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.063 7.504 3.711 1.00 0.00 H new ATOM 506 N SER A 36 4.252 6.658 6.243 1.00 0.00 N ATOM 507 CA SER A 36 5.225 7.032 7.255 1.00 0.00 C ATOM 508 C SER A 36 5.861 5.778 7.858 1.00 0.00 C ATOM 509 O SER A 36 7.080 5.705 8.004 1.00 0.00 O ATOM 510 CB SER A 36 4.582 7.882 8.352 1.00 0.00 C ATOM 511 OG SER A 36 5.492 8.839 8.889 1.00 0.00 O ATOM 0 H SER A 36 3.355 7.139 6.315 1.00 0.00 H new ATOM 0 HA SER A 36 6.000 7.631 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.711 8.397 7.947 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.225 7.233 9.151 1.00 0.00 H new ATOM 0 HG SER A 36 5.043 9.363 9.585 1.00 0.00 H new ATOM 516 N HIS A 37 5.006 4.823 8.194 1.00 0.00 N ATOM 517 CA HIS A 37 5.468 3.577 8.779 1.00 0.00 C ATOM 518 C HIS A 37 6.540 2.955 7.882 1.00 0.00 C ATOM 519 O HIS A 37 7.492 2.348 8.372 1.00 0.00 O ATOM 520 CB HIS A 37 4.295 2.632 9.042 1.00 0.00 C ATOM 521 CG HIS A 37 3.487 2.981 10.268 1.00 0.00 C ATOM 522 ND1 HIS A 37 3.726 2.416 11.510 1.00 0.00 N ATOM 523 CD2 HIS A 37 2.444 3.844 10.433 1.00 0.00 C ATOM 524 CE1 HIS A 37 2.859 2.923 12.373 1.00 0.00 C ATOM 525 NE2 HIS A 37 2.064 3.807 11.704 1.00 0.00 N ATOM 0 H HIS A 37 3.995 4.888 8.072 1.00 0.00 H new ATOM 0 HA HIS A 37 5.924 3.775 9.749 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.637 2.636 8.173 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.677 1.617 9.148 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.002 4.455 9.660 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.793 2.679 13.423 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.303 4.350 12.113 1.00 0.00 H new ATOM 532 N PHE A 38 6.351 3.128 6.582 1.00 0.00 N ATOM 533 CA PHE A 38 7.290 2.592 5.611 1.00 0.00 C ATOM 534 C PHE A 38 8.452 3.560 5.378 1.00 0.00 C ATOM 535 O PHE A 38 8.294 4.771 5.526 1.00 0.00 O ATOM 536 CB PHE A 38 6.523 2.410 4.299 1.00 0.00 C ATOM 537 CG PHE A 38 5.644 1.157 4.261 1.00 0.00 C ATOM 538 CD1 PHE A 38 6.199 -0.056 3.993 1.00 0.00 C ATOM 539 CD2 PHE A 38 4.309 1.257 4.496 1.00 0.00 C ATOM 540 CE1 PHE A 38 5.384 -1.217 3.958 1.00 0.00 C ATOM 541 CE2 PHE A 38 3.493 0.095 4.460 1.00 0.00 C ATOM 542 CZ PHE A 38 4.048 -1.118 4.192 1.00 0.00 C ATOM 0 H PHE A 38 5.561 3.632 6.178 1.00 0.00 H new ATOM 0 HA PHE A 38 7.703 1.651 5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.897 3.286 4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.236 2.366 3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.260 -0.135 3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.869 2.220 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.825 -2.180 3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.432 0.174 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.428 -2.002 4.165 1.00 0.00 H new ATOM 551 N PRO A 39 9.622 2.975 5.007 1.00 0.00 N ATOM 552 CA PRO A 39 10.810 3.774 4.753 1.00 0.00 C ATOM 553 C PRO A 39 10.706 4.497 3.409 1.00 0.00 C ATOM 554 O PRO A 39 10.214 5.622 3.343 1.00 0.00 O ATOM 555 CB PRO A 39 11.966 2.788 4.810 1.00 0.00 C ATOM 556 CG PRO A 39 11.348 1.410 4.631 1.00 0.00 C ATOM 557 CD PRO A 39 9.846 1.545 4.822 1.00 0.00 C ATOM 0 HA PRO A 39 10.947 4.570 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.694 2.994 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.493 2.859 5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.573 1.016 3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.763 0.708 5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.301 1.168 3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.504 0.976 5.686 1.00 0.00 H new ATOM 562 N ASN A 40 11.178 3.821 2.372 1.00 0.00 N ATOM 563 CA ASN A 40 11.145 4.386 1.033 1.00 0.00 C ATOM 564 C ASN A 40 9.769 4.136 0.413 1.00 0.00 C ATOM 565 O ASN A 40 9.642 3.354 -0.528 1.00 0.00 O ATOM 566 CB ASN A 40 12.195 3.733 0.134 1.00 0.00 C ATOM 567 CG ASN A 40 13.530 4.476 0.220 1.00 0.00 C ATOM 568 OD1 ASN A 40 14.052 4.745 1.289 1.00 0.00 O ATOM 569 ND2 ASN A 40 14.052 4.789 -0.963 1.00 0.00 N ATOM 0 H ASN A 40 11.585 2.888 2.431 1.00 0.00 H new ATOM 0 HA ASN A 40 11.352 5.453 1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.334 2.693 0.428 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.843 3.728 -0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.942 5.284 -1.013 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.562 4.534 -1.820 1.00 0.00 H new ATOM 575 N ARG A 41 8.773 4.814 0.966 1.00 0.00 N ATOM 576 CA ARG A 41 7.412 4.674 0.478 1.00 0.00 C ATOM 577 C ARG A 41 6.632 5.971 0.703 1.00 0.00 C ATOM 578 O ARG A 41 7.092 6.859 1.418 1.00 0.00 O ATOM 579 CB ARG A 41 6.690 3.525 1.183 1.00 0.00 C ATOM 580 CG ARG A 41 7.481 2.221 1.060 1.00 0.00 C ATOM 581 CD ARG A 41 7.481 1.715 -0.385 1.00 0.00 C ATOM 582 NE ARG A 41 8.588 0.751 -0.583 1.00 0.00 N ATOM 583 CZ ARG A 41 9.162 0.494 -1.778 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.740 1.128 -2.892 1.00 0.00 N ATOM 585 NH2 ARG A 41 10.144 -0.387 -1.839 1.00 0.00 N ATOM 0 H ARG A 41 8.882 5.461 1.747 1.00 0.00 H new ATOM 0 HA ARG A 41 7.463 4.456 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.549 3.771 2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.698 3.395 0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.506 2.380 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.047 1.465 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.527 1.238 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.590 2.553 -1.073 1.00 0.00 H new ATOM 0 HE ARG A 41 8.938 0.250 0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.982 1.808 -2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.180 0.928 -3.790 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.457 -0.861 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.589 -0.594 -2.733 1.00 0.00 H new ATOM 595 N THR A 42 5.465 6.038 0.079 1.00 0.00 N ATOM 596 CA THR A 42 4.618 7.212 0.201 1.00 0.00 C ATOM 597 C THR A 42 3.144 6.823 0.065 1.00 0.00 C ATOM 598 O THR A 42 2.823 5.792 -0.525 1.00 0.00 O ATOM 599 CB THR A 42 5.074 8.235 -0.841 1.00 0.00 C ATOM 600 OG1 THR A 42 4.365 9.422 -0.495 1.00 0.00 O ATOM 601 CG2 THR A 42 4.576 7.900 -2.248 1.00 0.00 C ATOM 0 H THR A 42 5.086 5.298 -0.512 1.00 0.00 H new ATOM 0 HA THR A 42 4.713 7.666 1.187 1.00 0.00 H new ATOM 0 HB THR A 42 6.163 8.288 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.603 10.139 -1.120 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.928 8.657 -2.948 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.959 6.924 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.486 7.879 -2.253 1.00 0.00 H new ATOM 609 N ASP A 43 2.289 7.666 0.622 1.00 0.00 N ATOM 610 CA ASP A 43 0.857 7.423 0.571 1.00 0.00 C ATOM 611 C ASP A 43 0.465 7.008 -0.849 1.00 0.00 C ATOM 612 O ASP A 43 -0.325 6.083 -1.033 1.00 0.00 O ATOM 613 CB ASP A 43 0.070 8.686 0.928 1.00 0.00 C ATOM 614 CG ASP A 43 0.456 9.934 0.132 1.00 0.00 C ATOM 615 OD1 ASP A 43 1.626 10.347 0.120 1.00 0.00 O ATOM 616 OD2 ASP A 43 -0.515 10.499 -0.502 1.00 0.00 O ATOM 0 H ASP A 43 2.560 8.519 1.111 1.00 0.00 H new ATOM 0 HA ASP A 43 0.623 6.637 1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.991 8.490 0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.207 8.893 1.989 1.00 0.00 H new ATOM 621 N GLN A 44 1.036 7.712 -1.816 1.00 0.00 N ATOM 622 CA GLN A 44 0.757 7.426 -3.213 1.00 0.00 C ATOM 623 C GLN A 44 1.097 5.971 -3.537 1.00 0.00 C ATOM 624 O GLN A 44 0.253 5.227 -4.034 1.00 0.00 O ATOM 625 CB GLN A 44 1.517 8.385 -4.131 1.00 0.00 C ATOM 626 CG GLN A 44 0.562 9.110 -5.081 1.00 0.00 C ATOM 627 CD GLN A 44 1.329 9.790 -6.216 1.00 0.00 C ATOM 628 OE1 GLN A 44 1.517 9.242 -7.289 1.00 0.00 O ATOM 629 NE2 GLN A 44 1.760 11.014 -5.920 1.00 0.00 N ATOM 0 H GLN A 44 1.690 8.479 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.308 7.576 -3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.061 9.114 -3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.258 7.831 -4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.153 8.400 -5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.011 9.854 -4.528 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.568 11.414 -5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.282 11.552 -6.612 1.00 0.00 H new ATOM 636 N GLN A 45 2.337 5.607 -3.243 1.00 0.00 N ATOM 637 CA GLN A 45 2.800 4.253 -3.497 1.00 0.00 C ATOM 638 C GLN A 45 1.964 3.248 -2.702 1.00 0.00 C ATOM 639 O GLN A 45 1.559 2.216 -3.232 1.00 0.00 O ATOM 640 CB GLN A 45 4.288 4.112 -3.167 1.00 0.00 C ATOM 641 CG GLN A 45 5.141 4.963 -4.109 1.00 0.00 C ATOM 642 CD GLN A 45 5.578 4.156 -5.333 1.00 0.00 C ATOM 643 OE1 GLN A 45 4.809 3.421 -5.931 1.00 0.00 O ATOM 644 NE2 GLN A 45 6.852 4.333 -5.670 1.00 0.00 N ATOM 0 H GLN A 45 3.035 6.226 -2.831 1.00 0.00 H new ATOM 0 HA GLN A 45 2.675 4.040 -4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.466 4.416 -2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.584 3.066 -3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.574 5.837 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.020 5.330 -3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.441 4.964 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.241 3.838 -6.473 1.00 0.00 H new ATOM 651 N CYS A 46 1.731 3.587 -1.442 1.00 0.00 N ATOM 652 CA CYS A 46 0.950 2.727 -0.568 1.00 0.00 C ATOM 653 C CYS A 46 -0.453 2.587 -1.161 1.00 0.00 C ATOM 654 O CYS A 46 -0.883 1.484 -1.495 1.00 0.00 O ATOM 655 CB CYS A 46 0.914 3.261 0.865 1.00 0.00 C ATOM 656 SG CYS A 46 2.443 2.780 1.750 1.00 0.00 S ATOM 0 H CYS A 46 2.069 4.445 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 46 1.417 1.744 -0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.816 4.347 0.855 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.042 2.867 1.387 1.00 0.00 H new ATOM 0 HG CYS A 46 2.243 2.851 3.033 1.00 0.00 H new ATOM 661 N GLN A 47 -1.130 3.721 -1.271 1.00 0.00 N ATOM 662 CA GLN A 47 -2.476 3.739 -1.818 1.00 0.00 C ATOM 663 C GLN A 47 -2.499 3.070 -3.194 1.00 0.00 C ATOM 664 O GLN A 47 -3.350 2.224 -3.462 1.00 0.00 O ATOM 665 CB GLN A 47 -3.018 5.168 -1.893 1.00 0.00 C ATOM 666 CG GLN A 47 -4.533 5.169 -2.102 1.00 0.00 C ATOM 667 CD GLN A 47 -5.223 6.104 -1.107 1.00 0.00 C ATOM 668 OE1 GLN A 47 -4.631 7.023 -0.567 1.00 0.00 O ATOM 669 NE2 GLN A 47 -6.506 5.820 -0.897 1.00 0.00 N ATOM 0 H GLN A 47 -0.771 4.634 -0.991 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.126 3.174 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.774 5.702 -0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.534 5.702 -2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.763 5.482 -3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.921 4.157 -1.984 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.941 5.035 -1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.055 6.387 -0.251 1.00 0.00 H new ATOM 676 N TYR A 48 -1.554 3.475 -4.029 1.00 0.00 N ATOM 677 CA TYR A 48 -1.456 2.926 -5.371 1.00 0.00 C ATOM 678 C TYR A 48 -1.270 1.408 -5.330 1.00 0.00 C ATOM 679 O TYR A 48 -2.121 0.661 -5.809 1.00 0.00 O ATOM 680 CB TYR A 48 -0.215 3.563 -5.997 1.00 0.00 C ATOM 681 CG TYR A 48 0.125 3.026 -7.389 1.00 0.00 C ATOM 682 CD1 TYR A 48 0.818 1.840 -7.521 1.00 0.00 C ATOM 683 CD2 TYR A 48 -0.261 3.729 -8.513 1.00 0.00 C ATOM 684 CE1 TYR A 48 1.138 1.335 -8.832 1.00 0.00 C ATOM 685 CE2 TYR A 48 0.059 3.224 -9.823 1.00 0.00 C ATOM 686 CZ TYR A 48 0.742 2.052 -9.918 1.00 0.00 C ATOM 687 OH TYR A 48 1.044 1.575 -11.155 1.00 0.00 O ATOM 0 H TYR A 48 -0.849 4.177 -3.803 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.364 3.133 -5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.365 4.641 -6.061 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.637 3.399 -5.337 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.120 1.290 -6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.803 4.658 -8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.680 0.408 -8.950 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.237 3.764 -10.710 1.00 0.00 H new ATOM 0 HH TYR A 48 0.698 2.189 -11.836 1.00 0.00 H new ATOM 696 N ARG A 49 -0.150 0.997 -4.752 1.00 0.00 N ATOM 697 CA ARG A 49 0.159 -0.418 -4.642 1.00 0.00 C ATOM 698 C ARG A 49 -1.037 -1.179 -4.064 1.00 0.00 C ATOM 699 O ARG A 49 -1.204 -2.370 -4.325 1.00 0.00 O ATOM 700 CB ARG A 49 1.380 -0.648 -3.750 1.00 0.00 C ATOM 701 CG ARG A 49 1.614 -2.141 -3.513 1.00 0.00 C ATOM 702 CD ARG A 49 2.191 -2.811 -4.762 1.00 0.00 C ATOM 703 NE ARG A 49 2.094 -4.282 -4.638 1.00 0.00 N ATOM 704 CZ ARG A 49 2.921 -5.150 -5.259 1.00 0.00 C ATOM 705 NH1 ARG A 49 3.915 -4.700 -6.054 1.00 0.00 N ATOM 706 NH2 ARG A 49 2.744 -6.446 -5.077 1.00 0.00 N ATOM 0 H ARG A 49 0.554 1.620 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 49 0.380 -0.788 -5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.262 -0.208 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.237 -0.143 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.297 -2.277 -2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.674 -2.621 -3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.650 -2.476 -5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.232 -2.517 -4.894 1.00 0.00 H new ATOM 0 HE ARG A 49 1.356 -4.664 -4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.046 -3.697 -6.189 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.535 -5.363 -6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.991 -6.778 -4.474 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.360 -7.115 -5.539 1.00 0.00 H new ATOM 716 N TRP A 50 -1.837 -0.461 -3.290 1.00 0.00 N ATOM 717 CA TRP A 50 -3.011 -1.054 -2.673 1.00 0.00 C ATOM 718 C TRP A 50 -4.127 -1.089 -3.719 1.00 0.00 C ATOM 719 O TRP A 50 -4.603 -2.162 -4.086 1.00 0.00 O ATOM 720 CB TRP A 50 -3.405 -0.295 -1.404 1.00 0.00 C ATOM 721 CG TRP A 50 -4.838 -0.561 -0.940 1.00 0.00 C ATOM 722 CD1 TRP A 50 -5.980 -0.163 -1.517 1.00 0.00 C ATOM 723 CD2 TRP A 50 -5.239 -1.306 0.229 1.00 0.00 C ATOM 724 NE1 TRP A 50 -7.083 -0.594 -0.809 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.617 -1.312 0.288 1.00 0.00 C ATOM 726 CE3 TRP A 50 -4.462 -1.954 1.205 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.339 -1.951 1.303 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.198 -2.587 2.214 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.587 -2.602 2.287 1.00 0.00 C ATOM 0 H TRP A 50 -1.695 0.526 -3.076 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.804 -2.074 -2.350 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.718 -0.567 -0.602 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.283 0.774 -1.580 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.031 0.422 -2.423 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.059 -0.419 -1.046 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.382 -1.963 1.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.419 -1.942 1.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.649 -3.100 2.990 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.082 -3.113 3.099 1.00 0.00 H new ATOM 739 N LEU A 51 -4.511 0.096 -4.169 1.00 0.00 N ATOM 740 CA LEU A 51 -5.563 0.213 -5.165 1.00 0.00 C ATOM 741 C LEU A 51 -5.127 -0.501 -6.446 1.00 0.00 C ATOM 742 O LEU A 51 -5.924 -0.672 -7.368 1.00 0.00 O ATOM 743 CB LEU A 51 -5.939 1.681 -5.377 1.00 0.00 C ATOM 744 CG LEU A 51 -6.822 2.310 -4.298 1.00 0.00 C ATOM 745 CD1 LEU A 51 -6.998 3.811 -4.538 1.00 0.00 C ATOM 746 CD2 LEU A 51 -8.166 1.585 -4.198 1.00 0.00 C ATOM 0 H LEU A 51 -4.113 0.984 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.472 -0.278 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.021 2.263 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.452 1.769 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.320 2.194 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.630 4.233 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.024 4.299 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.466 3.972 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.775 2.052 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.685 1.647 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.997 0.538 -3.945 1.00 0.00 H new ATOM 757 N ARG A 52 -3.863 -0.899 -6.463 1.00 0.00 N ATOM 758 CA ARG A 52 -3.313 -1.591 -7.617 1.00 0.00 C ATOM 759 C ARG A 52 -3.199 -3.089 -7.331 1.00 0.00 C ATOM 760 O ARG A 52 -3.597 -3.914 -8.154 1.00 0.00 O ATOM 761 CB ARG A 52 -1.932 -1.042 -7.980 1.00 0.00 C ATOM 762 CG ARG A 52 -2.046 0.319 -8.669 1.00 0.00 C ATOM 763 CD ARG A 52 -3.080 0.277 -9.797 1.00 0.00 C ATOM 764 NE ARG A 52 -2.939 -0.979 -10.566 1.00 0.00 N ATOM 765 CZ ARG A 52 -3.903 -1.493 -11.359 1.00 0.00 C ATOM 766 NH1 ARG A 52 -5.088 -0.862 -11.495 1.00 0.00 N ATOM 767 NH2 ARG A 52 -3.669 -2.623 -12.001 1.00 0.00 N ATOM 0 H ARG A 52 -3.205 -0.756 -5.697 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.989 -1.428 -8.456 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.326 -0.948 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.419 -1.744 -8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.329 1.078 -7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.075 0.610 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.086 0.348 -9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.946 1.134 -10.457 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.058 -1.488 -10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.261 0.011 -10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.811 -1.258 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.771 -3.094 -11.894 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.387 -3.025 -12.604 1.00 0.00 H new ATOM 777 N VAL A 53 -2.656 -3.399 -6.164 1.00 0.00 N ATOM 778 CA VAL A 53 -2.484 -4.784 -5.760 1.00 0.00 C ATOM 779 C VAL A 53 -3.465 -5.106 -4.630 1.00 0.00 C ATOM 780 O VAL A 53 -4.333 -5.965 -4.783 1.00 0.00 O ATOM 781 CB VAL A 53 -1.026 -5.042 -5.376 1.00 0.00 C ATOM 782 CG1 VAL A 53 -0.810 -6.507 -4.995 1.00 0.00 C ATOM 783 CG2 VAL A 53 -0.081 -4.622 -6.504 1.00 0.00 C ATOM 0 H VAL A 53 -2.329 -2.713 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.710 -5.454 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.796 -4.433 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.235 -6.663 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.445 -6.759 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.066 -7.145 -5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.950 -4.816 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.312 -5.192 -7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.206 -3.558 -6.707 1.00 0.00 H new ATOM 793 N LEU A 54 -3.295 -4.399 -3.522 1.00 0.00 N ATOM 794 CA LEU A 54 -4.155 -4.599 -2.368 1.00 0.00 C ATOM 795 C LEU A 54 -5.524 -3.973 -2.642 1.00 0.00 C ATOM 796 O LEU A 54 -5.895 -2.985 -2.010 1.00 0.00 O ATOM 797 CB LEU A 54 -3.480 -4.072 -1.100 1.00 0.00 C ATOM 798 CG LEU A 54 -1.956 -4.206 -1.046 1.00 0.00 C ATOM 799 CD1 LEU A 54 -1.413 -3.742 0.307 1.00 0.00 C ATOM 800 CD2 LEU A 54 -1.519 -5.634 -1.380 1.00 0.00 C ATOM 0 H LEU A 54 -2.575 -3.687 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.320 -5.663 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.737 -3.019 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.902 -4.597 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.528 -3.552 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.328 -3.847 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.678 -2.697 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.846 -4.351 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.432 -5.702 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.956 -6.326 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.857 -5.893 -2.383 1.00 0.00 H new ATOM 811 N SER A 55 -6.235 -4.572 -3.585 1.00 0.00 N ATOM 812 CA SER A 55 -7.554 -4.086 -3.950 1.00 0.00 C ATOM 813 C SER A 55 -8.595 -5.187 -3.743 1.00 0.00 C ATOM 814 O SER A 55 -9.568 -4.998 -3.014 1.00 0.00 O ATOM 815 CB SER A 55 -7.580 -3.598 -5.400 1.00 0.00 C ATOM 816 OG SER A 55 -7.931 -2.219 -5.494 1.00 0.00 O ATOM 0 H SER A 55 -5.922 -5.390 -4.108 1.00 0.00 H new ATOM 0 HA SER A 55 -7.796 -3.241 -3.306 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.601 -3.754 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.293 -4.193 -5.970 1.00 0.00 H new ATOM 0 HG SER A 55 -7.935 -1.946 -6.435 1.00 0.00 H new