USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.57 F(o=-2.1,f=-0.57) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.089 (180deg=-0.246) USER MOD Single : A 25 MET CE :methyl -107:sc=-0.00129 (180deg=-1.21!) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.24 (180deg=-0.839) USER MOD Single : A 30 ASN : amide:sc= -0.599 K(o=-0.6,f=-2.4!) USER MOD Single : A 31 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.24) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.63 X(o=-3.6,f=-3.6!) USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= 2.13 (180deg=1.35) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.54) USER MOD Single : A 47 CYS SG : rot -30:sc= -1.59 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0503) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.727 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.679 -0.866 -8.752 1.00 0.00 N ATOM 119 CA TRP A 12 -6.493 -0.126 -8.335 1.00 0.00 C ATOM 120 C TRP A 12 -5.683 0.329 -9.544 1.00 0.00 C ATOM 121 O TRP A 12 -5.440 -0.448 -10.468 1.00 0.00 O ATOM 122 CB TRP A 12 -5.625 -0.989 -7.419 1.00 0.00 C ATOM 123 CG TRP A 12 -6.010 -0.895 -5.974 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.072 -1.503 -5.367 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.338 -0.146 -4.955 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.101 -1.178 -4.032 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.047 -0.347 -3.754 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.206 0.672 -4.939 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.660 0.242 -2.554 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.823 1.257 -3.747 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.547 1.039 -2.567 1.00 0.00 C ATOM 0 HA TRP A 12 -6.820 0.758 -7.787 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.694 -2.029 -7.739 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.583 -0.690 -7.530 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.784 -2.145 -5.863 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.794 -1.502 -3.358 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.640 0.844 -5.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.218 0.076 -1.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.951 1.893 -3.724 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.221 1.509 -1.651 1.00 0.00 H new ATOM 142 N ARG A 13 -5.267 1.591 -9.531 1.00 0.00 N ATOM 143 CA ARG A 13 -4.484 2.148 -10.627 1.00 0.00 C ATOM 144 C ARG A 13 -3.000 2.184 -10.273 1.00 0.00 C ATOM 145 O ARG A 13 -2.633 2.361 -9.112 1.00 0.00 O ATOM 146 CB ARG A 13 -4.972 3.558 -10.965 1.00 0.00 C ATOM 147 CG ARG A 13 -6.462 3.633 -11.259 1.00 0.00 C ATOM 148 CD ARG A 13 -6.872 5.027 -11.708 1.00 0.00 C ATOM 149 NE ARG A 13 -8.265 5.320 -11.381 1.00 0.00 N ATOM 150 CZ ARG A 13 -8.787 6.540 -11.418 1.00 0.00 C ATOM 151 NH1 ARG A 13 -8.037 7.576 -11.766 1.00 0.00 N ATOM 152 NH2 ARG A 13 -10.064 6.727 -11.107 1.00 0.00 N ATOM 0 H ARG A 13 -5.459 2.247 -8.774 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.617 1.506 -11.497 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.741 4.223 -10.133 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.421 3.927 -11.830 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.718 2.910 -12.034 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.024 3.357 -10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.225 5.765 -11.234 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.725 5.119 -12.784 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.870 4.545 -11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.056 7.437 -12.006 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.441 8.512 -11.793 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.645 5.933 -10.839 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.464 7.665 -11.136 1.00 0.00 H new ATOM 166 N ASN A 14 -2.152 2.013 -11.282 1.00 0.00 N ATOM 167 CA ASN A 14 -0.708 2.024 -11.077 1.00 0.00 C ATOM 168 C ASN A 14 -0.319 3.036 -10.003 1.00 0.00 C ATOM 169 O ASN A 14 0.340 2.694 -9.021 1.00 0.00 O ATOM 170 CB ASN A 14 0.011 2.351 -12.387 1.00 0.00 C ATOM 171 CG ASN A 14 1.520 2.278 -12.251 1.00 0.00 C ATOM 172 OD1 ASN A 14 2.093 3.215 -11.504 1.00 0.00 O flip ATOM 173 ND2 ASN A 14 2.163 1.391 -12.812 1.00 0.00 N flip ATOM 0 H ASN A 14 -2.440 1.865 -12.249 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.405 1.032 -10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.316 1.656 -13.161 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.274 3.351 -12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.681 0.691 -13.377 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.178 1.356 -12.712 1.00 0.00 H new ATOM 180 N THR A 15 -0.732 4.284 -10.197 1.00 0.00 N ATOM 181 CA THR A 15 -0.427 5.347 -9.247 1.00 0.00 C ATOM 182 C THR A 15 -0.798 4.937 -7.826 1.00 0.00 C ATOM 183 O THR A 15 0.052 4.910 -6.937 1.00 0.00 O ATOM 184 CB THR A 15 -1.168 6.649 -9.604 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.558 6.380 -9.816 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.573 7.286 -10.851 1.00 0.00 C ATOM 0 H THR A 15 -1.279 4.584 -11.004 1.00 0.00 H new ATOM 0 HA THR A 15 0.647 5.523 -9.303 1.00 0.00 H new ATOM 0 HB THR A 15 -1.056 7.344 -8.772 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.022 7.213 -10.041 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.113 8.204 -11.083 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.478 7.517 -10.675 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.657 6.594 -11.689 1.00 0.00 H new ATOM 194 N GLU A 16 -2.072 4.618 -7.621 1.00 0.00 N ATOM 195 CA GLU A 16 -2.554 4.209 -6.307 1.00 0.00 C ATOM 196 C GLU A 16 -1.620 3.179 -5.681 1.00 0.00 C ATOM 197 O GLU A 16 -1.206 3.319 -4.530 1.00 0.00 O ATOM 198 CB GLU A 16 -3.968 3.633 -6.415 1.00 0.00 C ATOM 199 CG GLU A 16 -5.062 4.684 -6.325 1.00 0.00 C ATOM 200 CD GLU A 16 -5.539 4.909 -4.903 1.00 0.00 C ATOM 201 OE1 GLU A 16 -5.346 4.007 -4.062 1.00 0.00 O ATOM 202 OE2 GLU A 16 -6.105 5.989 -4.632 1.00 0.00 O ATOM 0 H GLU A 16 -2.788 4.635 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.576 5.090 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.063 3.102 -7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.114 2.900 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.692 5.624 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.906 4.378 -6.943 1.00 0.00 H new ATOM 209 N ASP A 17 -1.292 2.144 -6.446 1.00 0.00 N ATOM 210 CA ASP A 17 -0.406 1.089 -5.967 1.00 0.00 C ATOM 211 C ASP A 17 0.968 1.651 -5.616 1.00 0.00 C ATOM 212 O ASP A 17 1.541 1.313 -4.581 1.00 0.00 O ATOM 213 CB ASP A 17 -0.267 -0.008 -7.024 1.00 0.00 C ATOM 214 CG ASP A 17 -1.308 -1.099 -6.866 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.510 -0.768 -6.810 1.00 0.00 O ATOM 216 OD2 ASP A 17 -0.920 -2.285 -6.798 1.00 0.00 O ATOM 0 H ASP A 17 -1.626 2.013 -7.401 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.845 0.661 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.356 0.434 -8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.728 -0.447 -6.959 1.00 0.00 H new ATOM 221 N GLU A 18 1.491 2.509 -6.487 1.00 0.00 N ATOM 222 CA GLU A 18 2.799 3.116 -6.268 1.00 0.00 C ATOM 223 C GLU A 18 2.839 3.856 -4.934 1.00 0.00 C ATOM 224 O GLU A 18 3.691 3.583 -4.087 1.00 0.00 O ATOM 225 CB GLU A 18 3.135 4.080 -7.408 1.00 0.00 C ATOM 226 CG GLU A 18 3.847 3.418 -8.575 1.00 0.00 C ATOM 227 CD GLU A 18 5.036 2.585 -8.137 1.00 0.00 C ATOM 228 OE1 GLU A 18 6.029 3.173 -7.661 1.00 0.00 O ATOM 229 OE2 GLU A 18 4.973 1.345 -8.270 1.00 0.00 O ATOM 0 H GLU A 18 1.030 2.799 -7.349 1.00 0.00 H new ATOM 0 HA GLU A 18 3.542 2.319 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.214 4.538 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.761 4.884 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.142 2.784 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.183 4.185 -9.273 1.00 0.00 H new ATOM 236 N ILE A 19 1.914 4.792 -4.754 1.00 0.00 N ATOM 237 CA ILE A 19 1.844 5.570 -3.524 1.00 0.00 C ATOM 238 C ILE A 19 1.773 4.660 -2.302 1.00 0.00 C ATOM 239 O ILE A 19 2.457 4.889 -1.303 1.00 0.00 O ATOM 240 CB ILE A 19 0.624 6.510 -3.521 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.695 7.476 -4.705 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.549 7.276 -2.209 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.662 7.936 -5.191 1.00 0.00 C ATOM 0 H ILE A 19 1.202 5.030 -5.445 1.00 0.00 H new ATOM 0 HA ILE A 19 2.754 6.169 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.280 5.909 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.284 8.347 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.222 6.992 -5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.318 7.936 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.457 6.572 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.455 7.869 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.535 8.618 -6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.246 7.073 -5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.183 8.449 -4.383 1.00 0.00 H new ATOM 255 N LEU A 20 0.943 3.627 -2.388 1.00 0.00 N ATOM 256 CA LEU A 20 0.784 2.680 -1.289 1.00 0.00 C ATOM 257 C LEU A 20 2.092 1.947 -1.008 1.00 0.00 C ATOM 258 O LEU A 20 2.620 2.000 0.103 1.00 0.00 O ATOM 259 CB LEU A 20 -0.319 1.671 -1.615 1.00 0.00 C ATOM 260 CG LEU A 20 -0.624 0.637 -0.531 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.423 1.267 0.599 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.375 -0.548 -1.121 1.00 0.00 C ATOM 0 H LEU A 20 0.370 3.423 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 20 0.504 3.240 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.235 2.221 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.042 1.141 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 20 0.321 0.277 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.630 0.516 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.849 2.082 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.363 1.656 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.584 -1.274 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.313 -0.204 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.766 -1.016 -1.895 1.00 0.00 H new ATOM 274 N LYS A 21 2.612 1.266 -2.023 1.00 0.00 N ATOM 275 CA LYS A 21 3.861 0.525 -1.887 1.00 0.00 C ATOM 276 C LYS A 21 4.887 1.328 -1.095 1.00 0.00 C ATOM 277 O LYS A 21 5.370 0.882 -0.055 1.00 0.00 O ATOM 278 CB LYS A 21 4.424 0.178 -3.267 1.00 0.00 C ATOM 279 CG LYS A 21 3.670 -0.938 -3.969 1.00 0.00 C ATOM 280 CD LYS A 21 3.723 -0.784 -5.480 1.00 0.00 C ATOM 281 CE LYS A 21 5.100 -1.129 -6.027 1.00 0.00 C ATOM 282 NZ LYS A 21 6.023 0.039 -5.983 1.00 0.00 N ATOM 0 H LYS A 21 2.188 1.212 -2.949 1.00 0.00 H new ATOM 0 HA LYS A 21 3.650 -0.397 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.402 1.070 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.469 -0.112 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.096 -1.900 -3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.631 -0.940 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.975 -1.431 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.469 0.240 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.525 -1.950 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.005 -1.478 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.799 -0.106 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.502 0.903 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.414 0.137 -5.024 1.00 0.00 H new ATOM 296 N ALA A 22 5.215 2.516 -1.594 1.00 0.00 N ATOM 297 CA ALA A 22 6.181 3.383 -0.930 1.00 0.00 C ATOM 298 C ALA A 22 5.823 3.580 0.539 1.00 0.00 C ATOM 299 O ALA A 22 6.563 3.164 1.429 1.00 0.00 O ATOM 300 CB ALA A 22 6.260 4.726 -1.641 1.00 0.00 C ATOM 0 H ALA A 22 4.826 2.900 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 22 7.158 2.901 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.985 5.364 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.571 4.573 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.281 5.205 -1.624 1.00 0.00 H new ATOM 306 N ALA A 23 4.684 4.219 0.785 1.00 0.00 N ATOM 307 CA ALA A 23 4.228 4.471 2.146 1.00 0.00 C ATOM 308 C ALA A 23 4.413 3.237 3.024 1.00 0.00 C ATOM 309 O ALA A 23 5.041 3.304 4.081 1.00 0.00 O ATOM 310 CB ALA A 23 2.769 4.904 2.143 1.00 0.00 C ATOM 0 H ALA A 23 4.060 4.572 0.059 1.00 0.00 H new ATOM 0 HA ALA A 23 4.834 5.276 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.442 5.089 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.662 5.817 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.157 4.117 1.703 1.00 0.00 H new ATOM 316 N VAL A 24 3.862 2.112 2.580 1.00 0.00 N ATOM 317 CA VAL A 24 3.967 0.863 3.325 1.00 0.00 C ATOM 318 C VAL A 24 5.412 0.579 3.719 1.00 0.00 C ATOM 319 O VAL A 24 5.674 -0.063 4.737 1.00 0.00 O ATOM 320 CB VAL A 24 3.426 -0.325 2.508 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.435 -1.596 3.344 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.026 -0.024 1.994 1.00 0.00 C ATOM 0 H VAL A 24 3.338 2.040 1.708 1.00 0.00 H new ATOM 0 HA VAL A 24 3.364 0.979 4.225 1.00 0.00 H new ATOM 0 HB VAL A 24 4.078 -0.480 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.049 -2.425 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.455 -1.818 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.807 -1.457 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.659 -0.874 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.360 0.158 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.055 0.860 1.357 1.00 0.00 H new ATOM 332 N MET A 25 6.347 1.061 2.908 1.00 0.00 N ATOM 333 CA MET A 25 7.767 0.860 3.173 1.00 0.00 C ATOM 334 C MET A 25 8.285 1.892 4.170 1.00 0.00 C ATOM 335 O MET A 25 9.267 1.652 4.873 1.00 0.00 O ATOM 336 CB MET A 25 8.568 0.944 1.873 1.00 0.00 C ATOM 337 CG MET A 25 8.201 -0.131 0.863 1.00 0.00 C ATOM 338 SD MET A 25 9.192 -1.626 1.049 1.00 0.00 S ATOM 339 CE MET A 25 8.053 -2.866 0.435 1.00 0.00 C ATOM 0 H MET A 25 6.147 1.594 2.061 1.00 0.00 H new ATOM 0 HA MET A 25 7.893 -0.133 3.605 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.411 1.924 1.422 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.630 0.866 2.105 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.146 -0.383 0.973 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.331 0.263 -0.145 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.671 -3.454 1.269 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.223 -2.377 -0.074 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.572 -3.522 -0.264 1.00 0.00 H new ATOM 349 N LYS A 26 7.619 3.040 4.227 1.00 0.00 N ATOM 350 CA LYS A 26 8.011 4.109 5.138 1.00 0.00 C ATOM 351 C LYS A 26 7.269 3.991 6.465 1.00 0.00 C ATOM 352 O LYS A 26 7.882 3.807 7.517 1.00 0.00 O ATOM 353 CB LYS A 26 7.734 5.474 4.505 1.00 0.00 C ATOM 354 CG LYS A 26 8.175 6.645 5.367 1.00 0.00 C ATOM 355 CD LYS A 26 7.392 7.905 5.039 1.00 0.00 C ATOM 356 CE LYS A 26 8.090 8.733 3.971 1.00 0.00 C ATOM 357 NZ LYS A 26 7.348 9.988 3.668 1.00 0.00 N ATOM 0 H LYS A 26 6.804 3.254 3.652 1.00 0.00 H new ATOM 0 HA LYS A 26 9.080 4.016 5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.244 5.529 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.666 5.563 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.039 6.395 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.239 6.828 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.393 7.635 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.269 8.503 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.098 8.979 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.190 8.142 3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.856 10.524 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.394 9.753 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.275 10.565 4.530 1.00 0.00 H new ATOM 371 N TYR A 27 5.946 4.097 6.409 1.00 0.00 N ATOM 372 CA TYR A 27 5.120 4.003 7.607 1.00 0.00 C ATOM 373 C TYR A 27 5.055 2.566 8.114 1.00 0.00 C ATOM 374 O TYR A 27 5.008 2.321 9.318 1.00 0.00 O ATOM 375 CB TYR A 27 3.709 4.519 7.321 1.00 0.00 C ATOM 376 CG TYR A 27 3.684 5.826 6.562 1.00 0.00 C ATOM 377 CD1 TYR A 27 4.632 6.812 6.806 1.00 0.00 C ATOM 378 CD2 TYR A 27 2.712 6.077 5.601 1.00 0.00 C ATOM 379 CE1 TYR A 27 4.613 8.008 6.116 1.00 0.00 C ATOM 380 CE2 TYR A 27 2.686 7.269 4.905 1.00 0.00 C ATOM 381 CZ TYR A 27 3.639 8.232 5.166 1.00 0.00 C ATOM 382 OH TYR A 27 3.616 9.422 4.475 1.00 0.00 O ATOM 0 H TYR A 27 5.423 4.248 5.547 1.00 0.00 H new ATOM 0 HA TYR A 27 5.576 4.621 8.380 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.165 3.767 6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.180 4.647 8.265 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.397 6.640 7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.964 5.326 5.395 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.357 8.764 6.319 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.924 7.447 4.160 1.00 0.00 H new ATOM 0 HH TYR A 27 2.867 9.419 3.842 1.00 0.00 H new ATOM 392 N GLY A 28 5.054 1.617 7.182 1.00 0.00 N ATOM 393 CA GLY A 28 4.996 0.214 7.552 1.00 0.00 C ATOM 394 C GLY A 28 3.602 -0.364 7.415 1.00 0.00 C ATOM 395 O GLY A 28 2.664 0.338 7.035 1.00 0.00 O ATOM 0 H GLY A 28 5.092 1.794 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.684 -0.353 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.334 0.099 8.582 1.00 0.00 H new ATOM 399 N LYS A 29 3.463 -1.649 7.724 1.00 0.00 N ATOM 400 CA LYS A 29 2.173 -2.323 7.633 1.00 0.00 C ATOM 401 C LYS A 29 1.412 -2.220 8.951 1.00 0.00 C ATOM 402 O LYS A 29 0.812 -3.191 9.410 1.00 0.00 O ATOM 403 CB LYS A 29 2.368 -3.794 7.259 1.00 0.00 C ATOM 404 CG LYS A 29 2.991 -3.994 5.888 1.00 0.00 C ATOM 405 CD LYS A 29 4.506 -4.072 5.970 1.00 0.00 C ATOM 406 CE LYS A 29 4.982 -5.506 6.149 1.00 0.00 C ATOM 407 NZ LYS A 29 4.878 -5.951 7.566 1.00 0.00 N ATOM 0 H LYS A 29 4.228 -2.245 8.040 1.00 0.00 H new ATOM 0 HA LYS A 29 1.588 -1.831 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.999 -4.271 8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.402 -4.299 7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.602 -4.909 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.703 -3.172 5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.942 -3.653 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.858 -3.464 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.390 -6.167 5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.017 -5.589 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.514 -6.759 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.148 -5.169 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.899 -6.237 7.769 1.00 0.00 H new ATOM 421 N ASN A 30 1.439 -1.035 9.554 1.00 0.00 N ATOM 422 CA ASN A 30 0.750 -0.806 10.819 1.00 0.00 C ATOM 423 C ASN A 30 -0.064 0.484 10.768 1.00 0.00 C ATOM 424 O ASN A 30 -1.125 0.584 11.384 1.00 0.00 O ATOM 425 CB ASN A 30 1.758 -0.741 11.968 1.00 0.00 C ATOM 426 CG ASN A 30 2.944 0.148 11.648 1.00 0.00 C ATOM 427 OD1 ASN A 30 3.670 -0.091 10.683 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.145 1.180 12.458 1.00 0.00 N ATOM 0 H ASN A 30 1.930 -0.220 9.187 1.00 0.00 H new ATOM 0 HA ASN A 30 0.068 -1.639 10.990 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.260 -0.369 12.864 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.112 -1.747 12.194 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.927 1.814 12.292 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.517 1.340 13.246 1.00 0.00 H new ATOM 435 N GLN A 31 0.440 1.467 10.030 1.00 0.00 N ATOM 436 CA GLN A 31 -0.240 2.750 9.900 1.00 0.00 C ATOM 437 C GLN A 31 -1.181 2.748 8.700 1.00 0.00 C ATOM 438 O GLN A 31 -1.303 3.748 7.993 1.00 0.00 O ATOM 439 CB GLN A 31 0.781 3.881 9.760 1.00 0.00 C ATOM 440 CG GLN A 31 1.825 3.898 10.865 1.00 0.00 C ATOM 441 CD GLN A 31 2.639 5.177 10.879 1.00 0.00 C ATOM 442 OE1 GLN A 31 3.867 5.145 10.803 1.00 0.00 O ATOM 443 NE2 GLN A 31 1.957 6.312 10.977 1.00 0.00 N ATOM 0 H GLN A 31 1.317 1.400 9.513 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.830 2.912 10.802 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.284 3.788 8.798 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.255 4.836 9.754 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.331 3.776 11.829 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.495 3.047 10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.939 6.292 11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.451 7.204 10.992 1.00 0.00 H new ATOM 452 N TRP A 32 -1.843 1.619 8.476 1.00 0.00 N ATOM 453 CA TRP A 32 -2.774 1.486 7.361 1.00 0.00 C ATOM 454 C TRP A 32 -3.799 2.615 7.371 1.00 0.00 C ATOM 455 O TRP A 32 -4.203 3.108 6.318 1.00 0.00 O ATOM 456 CB TRP A 32 -3.485 0.134 7.420 1.00 0.00 C ATOM 457 CG TRP A 32 -2.574 -1.028 7.159 1.00 0.00 C ATOM 458 CD1 TRP A 32 -2.330 -2.082 7.993 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.786 -1.252 5.985 1.00 0.00 C ATOM 460 NE1 TRP A 32 -1.437 -2.947 7.407 1.00 0.00 N ATOM 461 CE2 TRP A 32 -1.089 -2.461 6.175 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.603 -0.549 4.790 1.00 0.00 C ATOM 463 CZ2 TRP A 32 -0.224 -2.980 5.215 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.744 -1.066 3.839 1.00 0.00 C ATOM 465 CH2 TRP A 32 -0.063 -2.271 4.056 1.00 0.00 C ATOM 0 H TRP A 32 -1.753 0.782 9.052 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.203 1.546 6.435 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.942 0.015 8.402 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.293 0.124 6.689 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.773 -2.216 8.969 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.090 -3.811 7.823 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.123 0.381 4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.301 -3.909 5.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.595 -0.532 2.912 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.602 -2.648 3.293 1.00 0.00 H new ATOM 476 N SER A 33 -4.217 3.019 8.566 1.00 0.00 N ATOM 477 CA SER A 33 -5.198 4.087 8.712 1.00 0.00 C ATOM 478 C SER A 33 -4.685 5.385 8.095 1.00 0.00 C ATOM 479 O SER A 33 -5.419 6.087 7.399 1.00 0.00 O ATOM 480 CB SER A 33 -5.528 4.307 10.190 1.00 0.00 C ATOM 481 OG SER A 33 -6.516 3.393 10.634 1.00 0.00 O ATOM 0 H SER A 33 -3.891 2.622 9.447 1.00 0.00 H new ATOM 0 HA SER A 33 -6.104 3.788 8.185 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.625 4.190 10.789 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.879 5.328 10.339 1.00 0.00 H new ATOM 0 HG SER A 33 -6.708 3.553 11.582 1.00 0.00 H new ATOM 487 N ARG A 34 -3.420 5.696 8.356 1.00 0.00 N ATOM 488 CA ARG A 34 -2.808 6.910 7.828 1.00 0.00 C ATOM 489 C ARG A 34 -2.572 6.790 6.326 1.00 0.00 C ATOM 490 O ARG A 34 -2.972 7.662 5.554 1.00 0.00 O ATOM 491 CB ARG A 34 -1.484 7.191 8.542 1.00 0.00 C ATOM 492 CG ARG A 34 -0.907 8.563 8.237 1.00 0.00 C ATOM 493 CD ARG A 34 0.578 8.627 8.558 1.00 0.00 C ATOM 494 NE ARG A 34 0.999 9.973 8.939 1.00 0.00 N ATOM 495 CZ ARG A 34 1.162 10.965 8.071 1.00 0.00 C ATOM 496 NH1 ARG A 34 0.941 10.763 6.779 1.00 0.00 N ATOM 497 NH2 ARG A 34 1.547 12.162 8.495 1.00 0.00 N ATOM 0 H ARG A 34 -2.799 5.125 8.929 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.492 7.739 8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.635 7.101 9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.758 6.429 8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.063 8.799 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.438 9.319 8.815 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.804 7.934 9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.151 8.300 7.690 1.00 0.00 H new ATOM 0 HE ARG A 34 1.178 10.161 9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.645 9.844 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.067 11.527 6.115 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.718 12.321 9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.672 12.923 7.828 1.00 0.00 H new ATOM 511 N ILE A 35 -1.921 5.706 5.918 1.00 0.00 N ATOM 512 CA ILE A 35 -1.633 5.473 4.509 1.00 0.00 C ATOM 513 C ILE A 35 -2.846 5.789 3.640 1.00 0.00 C ATOM 514 O ILE A 35 -2.744 6.521 2.657 1.00 0.00 O ATOM 515 CB ILE A 35 -1.199 4.017 4.256 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.174 3.755 4.878 1.00 0.00 C ATOM 517 CG2 ILE A 35 -1.175 3.723 2.764 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.433 2.296 5.178 1.00 0.00 C ATOM 0 H ILE A 35 -1.583 4.975 6.544 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.813 6.139 4.240 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.923 3.351 4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.946 4.121 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.261 4.328 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.866 2.690 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.171 3.874 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.470 4.394 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.425 2.185 5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.317 1.930 5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.379 1.719 4.255 1.00 0.00 H new ATOM 530 N ALA A 36 -3.994 5.232 4.012 1.00 0.00 N ATOM 531 CA ALA A 36 -5.228 5.457 3.270 1.00 0.00 C ATOM 532 C ALA A 36 -5.399 6.932 2.924 1.00 0.00 C ATOM 533 O ALA A 36 -5.865 7.275 1.837 1.00 0.00 O ATOM 534 CB ALA A 36 -6.423 4.958 4.068 1.00 0.00 C ATOM 0 H ALA A 36 -4.095 4.622 4.823 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.169 4.896 2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.338 5.133 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.313 3.891 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.476 5.493 5.016 1.00 0.00 H new ATOM 540 N SER A 37 -5.020 7.802 3.856 1.00 0.00 N ATOM 541 CA SER A 37 -5.137 9.241 3.651 1.00 0.00 C ATOM 542 C SER A 37 -4.443 9.663 2.359 1.00 0.00 C ATOM 543 O SER A 37 -4.939 10.520 1.626 1.00 0.00 O ATOM 544 CB SER A 37 -4.534 9.996 4.837 1.00 0.00 C ATOM 545 OG SER A 37 -4.853 11.376 4.778 1.00 0.00 O ATOM 0 H SER A 37 -4.630 7.535 4.760 1.00 0.00 H new ATOM 0 HA SER A 37 -6.196 9.488 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.907 9.573 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.451 9.869 4.840 1.00 0.00 H new ATOM 0 HG SER A 37 -4.458 11.836 5.548 1.00 0.00 H new ATOM 551 N LEU A 38 -3.294 9.056 2.087 1.00 0.00 N ATOM 552 CA LEU A 38 -2.530 9.369 0.883 1.00 0.00 C ATOM 553 C LEU A 38 -3.348 9.079 -0.371 1.00 0.00 C ATOM 554 O LEU A 38 -3.369 9.876 -1.309 1.00 0.00 O ATOM 555 CB LEU A 38 -1.231 8.562 0.856 1.00 0.00 C ATOM 556 CG LEU A 38 -0.332 8.696 2.086 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.775 7.653 2.055 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.256 10.098 2.166 1.00 0.00 C ATOM 0 H LEU A 38 -2.870 8.345 2.683 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.290 10.432 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.483 7.509 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.659 8.862 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.938 8.526 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.404 7.764 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.335 6.656 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.380 7.791 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.893 10.176 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.847 10.296 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.551 10.827 2.236 1.00 0.00 H new ATOM 570 N LEU A 39 -4.022 7.934 -0.380 1.00 0.00 N ATOM 571 CA LEU A 39 -4.844 7.539 -1.518 1.00 0.00 C ATOM 572 C LEU A 39 -6.255 8.105 -1.393 1.00 0.00 C ATOM 573 O LEU A 39 -6.757 8.311 -0.288 1.00 0.00 O ATOM 574 CB LEU A 39 -4.901 6.014 -1.627 1.00 0.00 C ATOM 575 CG LEU A 39 -3.559 5.285 -1.559 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.759 3.834 -1.152 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.837 5.372 -2.895 1.00 0.00 C ATOM 0 H LEU A 39 -4.015 7.263 0.388 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.389 7.944 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.538 5.636 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.385 5.755 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.942 5.770 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.793 3.332 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.233 3.793 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.395 3.335 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.884 4.848 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.450 4.913 -3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.659 6.418 -3.145 1.00 0.00 H new ATOM 589 N HIS A 40 -6.892 8.351 -2.534 1.00 0.00 N ATOM 590 CA HIS A 40 -8.247 8.891 -2.552 1.00 0.00 C ATOM 591 C HIS A 40 -9.267 7.788 -2.816 1.00 0.00 C ATOM 592 O HIS A 40 -9.054 6.923 -3.667 1.00 0.00 O ATOM 593 CB HIS A 40 -8.370 9.982 -3.616 1.00 0.00 C ATOM 594 CG HIS A 40 -9.757 10.530 -3.754 1.00 0.00 C ATOM 595 ND1 HIS A 40 -10.402 10.648 -4.967 1.00 0.00 N ATOM 596 CD2 HIS A 40 -10.624 10.991 -2.822 1.00 0.00 C ATOM 597 CE1 HIS A 40 -11.605 11.160 -4.775 1.00 0.00 C ATOM 598 NE2 HIS A 40 -11.764 11.377 -3.482 1.00 0.00 N ATOM 0 H HIS A 40 -6.492 8.185 -3.457 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.452 9.325 -1.573 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.689 10.797 -3.370 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.050 9.579 -4.577 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.451 11.045 -1.757 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.334 11.366 -5.545 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.598 11.768 -3.045 1.00 0.00 H new ATOM 607 N ARG A 41 -10.374 7.823 -2.082 1.00 0.00 N ATOM 608 CA ARG A 41 -11.426 6.826 -2.236 1.00 0.00 C ATOM 609 C ARG A 41 -10.947 5.454 -1.768 1.00 0.00 C ATOM 610 O ARG A 41 -11.324 4.427 -2.332 1.00 0.00 O ATOM 611 CB ARG A 41 -11.876 6.749 -3.696 1.00 0.00 C ATOM 612 CG ARG A 41 -12.227 8.101 -4.297 1.00 0.00 C ATOM 613 CD ARG A 41 -13.692 8.444 -4.077 1.00 0.00 C ATOM 614 NE ARG A 41 -13.962 8.831 -2.695 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.119 9.343 -2.288 1.00 0.00 C ATOM 616 NH1 ARG A 41 -16.107 9.528 -3.152 1.00 0.00 N ATOM 617 NH2 ARG A 41 -15.288 9.670 -1.013 1.00 0.00 N ATOM 0 H ARG A 41 -10.566 8.532 -1.374 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.271 7.128 -1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.083 6.292 -4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.744 6.093 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.600 8.873 -3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.010 8.093 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.978 9.258 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.309 7.585 -4.340 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.222 8.701 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.981 9.277 -4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.994 9.921 -2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.530 9.528 -0.345 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.176 10.063 -0.701 1.00 0.00 H new ATOM 631 N LYS A 42 -10.114 5.446 -0.733 1.00 0.00 N ATOM 632 CA LYS A 42 -9.584 4.202 -0.187 1.00 0.00 C ATOM 633 C LYS A 42 -9.627 4.215 1.337 1.00 0.00 C ATOM 634 O LYS A 42 -9.546 5.273 1.961 1.00 0.00 O ATOM 635 CB LYS A 42 -8.147 3.983 -0.666 1.00 0.00 C ATOM 636 CG LYS A 42 -8.042 3.653 -2.145 1.00 0.00 C ATOM 637 CD LYS A 42 -8.572 2.261 -2.445 1.00 0.00 C ATOM 638 CE LYS A 42 -8.695 2.023 -3.942 1.00 0.00 C ATOM 639 NZ LYS A 42 -7.388 2.182 -4.638 1.00 0.00 N ATOM 0 H LYS A 42 -9.791 6.287 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.208 3.382 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.564 4.881 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.700 3.173 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.601 4.389 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.001 3.723 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.906 1.515 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.546 2.132 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.081 1.019 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.418 2.722 -4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.547 2.564 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.785 2.836 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.918 1.257 -4.709 1.00 0.00 H new ATOM 653 N SER A 43 -9.753 3.033 1.931 1.00 0.00 N ATOM 654 CA SER A 43 -9.808 2.908 3.383 1.00 0.00 C ATOM 655 C SER A 43 -8.769 1.910 3.883 1.00 0.00 C ATOM 656 O SER A 43 -8.368 1.000 3.159 1.00 0.00 O ATOM 657 CB SER A 43 -11.206 2.472 3.825 1.00 0.00 C ATOM 658 OG SER A 43 -12.171 3.462 3.517 1.00 0.00 O ATOM 0 H SER A 43 -9.819 2.148 1.429 1.00 0.00 H new ATOM 0 HA SER A 43 -9.585 3.883 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.471 1.536 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.208 2.279 4.898 1.00 0.00 H new ATOM 0 HG SER A 43 -13.056 3.158 3.808 1.00 0.00 H new ATOM 664 N ALA A 44 -8.337 2.088 5.128 1.00 0.00 N ATOM 665 CA ALA A 44 -7.347 1.202 5.726 1.00 0.00 C ATOM 666 C ALA A 44 -7.565 -0.242 5.289 1.00 0.00 C ATOM 667 O ALA A 44 -6.627 -0.928 4.884 1.00 0.00 O ATOM 668 CB ALA A 44 -7.392 1.309 7.243 1.00 0.00 C ATOM 0 H ALA A 44 -8.658 2.838 5.741 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.362 1.513 5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.647 0.642 7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.178 2.335 7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.383 1.027 7.598 1.00 0.00 H new ATOM 674 N LYS A 45 -8.810 -0.699 5.374 1.00 0.00 N ATOM 675 CA LYS A 45 -9.154 -2.062 4.987 1.00 0.00 C ATOM 676 C LYS A 45 -8.591 -2.394 3.608 1.00 0.00 C ATOM 677 O LYS A 45 -7.836 -3.353 3.452 1.00 0.00 O ATOM 678 CB LYS A 45 -10.673 -2.246 4.987 1.00 0.00 C ATOM 679 CG LYS A 45 -11.111 -3.685 5.201 1.00 0.00 C ATOM 680 CD LYS A 45 -11.245 -4.429 3.883 1.00 0.00 C ATOM 681 CE LYS A 45 -11.355 -5.931 4.099 1.00 0.00 C ATOM 682 NZ LYS A 45 -11.731 -6.645 2.848 1.00 0.00 N ATOM 0 H LYS A 45 -9.598 -0.144 5.708 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.712 -2.743 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.106 -1.623 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.074 -1.890 4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.387 -4.196 5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.065 -3.701 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.126 -4.072 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.382 -4.213 3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.403 -6.316 4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.098 -6.134 4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.796 -7.666 3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.651 -6.296 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.009 -6.473 2.120 1.00 0.00 H new ATOM 696 N GLN A 46 -8.962 -1.594 2.614 1.00 0.00 N ATOM 697 CA GLN A 46 -8.493 -1.804 1.250 1.00 0.00 C ATOM 698 C GLN A 46 -6.969 -1.828 1.196 1.00 0.00 C ATOM 699 O GLN A 46 -6.369 -2.815 0.768 1.00 0.00 O ATOM 700 CB GLN A 46 -9.031 -0.707 0.329 1.00 0.00 C ATOM 701 CG GLN A 46 -10.474 -0.923 -0.097 1.00 0.00 C ATOM 702 CD GLN A 46 -10.776 -2.373 -0.421 1.00 0.00 C ATOM 703 OE1 GLN A 46 -11.632 -2.997 0.207 1.00 0.00 O ATOM 704 NE2 GLN A 46 -10.073 -2.918 -1.407 1.00 0.00 N ATOM 0 H GLN A 46 -9.586 -0.795 2.728 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.865 -2.770 0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.951 0.254 0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.403 -0.651 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.138 -0.587 0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.687 -0.307 -0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.373 -2.364 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.233 -3.890 -1.670 1.00 0.00 H new ATOM 713 N CYS A 47 -6.350 -0.737 1.631 1.00 0.00 N ATOM 714 CA CYS A 47 -4.895 -0.632 1.631 1.00 0.00 C ATOM 715 C CYS A 47 -4.259 -1.894 2.206 1.00 0.00 C ATOM 716 O CYS A 47 -3.238 -2.370 1.710 1.00 0.00 O ATOM 717 CB CYS A 47 -4.450 0.590 2.436 1.00 0.00 C ATOM 718 SG CYS A 47 -4.963 2.170 1.722 1.00 0.00 S ATOM 0 H CYS A 47 -6.832 0.088 1.988 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.564 -0.518 0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.852 0.512 3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.364 0.578 2.523 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.036 2.058 0.429 1.00 0.00 H new ATOM 724 N LYS A 48 -4.869 -2.431 3.257 1.00 0.00 N ATOM 725 CA LYS A 48 -4.364 -3.637 3.902 1.00 0.00 C ATOM 726 C LYS A 48 -4.565 -4.857 3.008 1.00 0.00 C ATOM 727 O LYS A 48 -3.697 -5.726 2.924 1.00 0.00 O ATOM 728 CB LYS A 48 -5.066 -3.855 5.245 1.00 0.00 C ATOM 729 CG LYS A 48 -4.345 -4.832 6.156 1.00 0.00 C ATOM 730 CD LYS A 48 -4.802 -4.691 7.598 1.00 0.00 C ATOM 731 CE LYS A 48 -4.296 -5.839 8.459 1.00 0.00 C ATOM 732 NZ LYS A 48 -5.038 -7.102 8.191 1.00 0.00 N ATOM 0 H LYS A 48 -5.715 -2.049 3.681 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.296 -3.506 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.160 -2.897 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.077 -4.220 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.526 -5.851 5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.270 -4.662 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.443 -3.745 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.891 -4.660 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.234 -5.994 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.397 -5.575 9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.785 -7.812 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.061 -6.919 8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.787 -7.458 7.247 1.00 0.00 H new ATOM 746 N ALA A 49 -5.713 -4.913 2.341 1.00 0.00 N ATOM 747 CA ALA A 49 -6.025 -6.024 1.451 1.00 0.00 C ATOM 748 C ALA A 49 -5.205 -5.946 0.167 1.00 0.00 C ATOM 749 O ALA A 49 -4.367 -6.808 -0.098 1.00 0.00 O ATOM 750 CB ALA A 49 -7.512 -6.042 1.130 1.00 0.00 C ATOM 0 H ALA A 49 -6.442 -4.202 2.400 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.764 -6.951 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.730 -6.877 0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.082 -6.154 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.790 -5.107 0.643 1.00 0.00 H new ATOM 756 N ARG A 50 -5.453 -4.909 -0.625 1.00 0.00 N ATOM 757 CA ARG A 50 -4.739 -4.720 -1.882 1.00 0.00 C ATOM 758 C ARG A 50 -3.249 -4.998 -1.708 1.00 0.00 C ATOM 759 O ARG A 50 -2.590 -5.500 -2.619 1.00 0.00 O ATOM 760 CB ARG A 50 -4.947 -3.296 -2.402 1.00 0.00 C ATOM 761 CG ARG A 50 -3.938 -2.882 -3.462 1.00 0.00 C ATOM 762 CD ARG A 50 -3.992 -3.802 -4.672 1.00 0.00 C ATOM 763 NE ARG A 50 -3.592 -3.116 -5.898 1.00 0.00 N ATOM 764 CZ ARG A 50 -3.939 -3.523 -7.114 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.690 -4.605 -7.265 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.536 -2.846 -8.182 1.00 0.00 N ATOM 0 H ARG A 50 -6.143 -4.187 -0.419 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.140 -5.427 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.952 -3.212 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.888 -2.600 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.136 -1.857 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.935 -2.897 -3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.339 -4.658 -4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.004 -4.191 -4.787 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.015 -2.279 -5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.003 -5.127 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.955 -4.915 -8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.959 -2.012 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.803 -3.159 -9.115 1.00 0.00 H new ATOM 780 N TRP A 51 -2.725 -4.667 -0.534 1.00 0.00 N ATOM 781 CA TRP A 51 -1.312 -4.880 -0.240 1.00 0.00 C ATOM 782 C TRP A 51 -1.021 -6.359 -0.008 1.00 0.00 C ATOM 783 O TRP A 51 -0.378 -7.011 -0.830 1.00 0.00 O ATOM 784 CB TRP A 51 -0.896 -4.067 0.987 1.00 0.00 C ATOM 785 CG TRP A 51 0.390 -4.531 1.599 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.538 -5.460 2.589 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.709 -4.087 1.263 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.869 -5.620 2.889 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.608 -4.789 2.089 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.218 -3.165 0.344 1.00 0.00 C ATOM 791 CZ2 TRP A 51 3.986 -4.597 2.022 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.585 -2.975 0.279 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.456 -3.688 1.113 1.00 0.00 C ATOM 0 H TRP A 51 -3.257 -4.250 0.230 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.733 -4.546 -1.101 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.798 -3.019 0.703 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.687 -4.122 1.735 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.272 -5.991 3.066 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.246 -6.255 3.593 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.555 -2.611 -0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.659 -5.146 2.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.989 -2.265 -0.427 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.520 -3.517 1.037 1.00 0.00 H new ATOM 804 N TYR A 52 -1.499 -6.881 1.116 1.00 0.00 N ATOM 805 CA TYR A 52 -1.288 -8.283 1.457 1.00 0.00 C ATOM 806 C TYR A 52 -1.828 -9.198 0.362 1.00 0.00 C ATOM 807 O TYR A 52 -1.530 -10.391 0.333 1.00 0.00 O ATOM 808 CB TYR A 52 -1.962 -8.612 2.791 1.00 0.00 C ATOM 809 CG TYR A 52 -1.238 -8.046 3.991 1.00 0.00 C ATOM 810 CD1 TYR A 52 0.144 -8.142 4.103 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.935 -7.415 5.014 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.809 -7.627 5.198 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.278 -6.896 6.112 1.00 0.00 C ATOM 814 CZ TYR A 52 0.094 -7.004 6.200 1.00 0.00 C ATOM 815 OH TYR A 52 0.753 -6.489 7.293 1.00 0.00 O ATOM 0 H TYR A 52 -2.035 -6.355 1.806 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.215 -8.451 1.548 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.982 -8.227 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.031 -9.695 2.896 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.707 -8.628 3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.010 -7.329 4.949 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.883 -7.711 5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.836 -6.408 6.898 1.00 0.00 H new ATOM 0 HH TYR A 52 0.104 -6.083 7.905 1.00 0.00 H new ATOM 825 N GLU A 53 -2.624 -8.627 -0.537 1.00 0.00 N ATOM 826 CA GLU A 53 -3.206 -9.391 -1.634 1.00 0.00 C ATOM 827 C GLU A 53 -2.164 -9.675 -2.712 1.00 0.00 C ATOM 828 O GLU A 53 -1.982 -10.819 -3.128 1.00 0.00 O ATOM 829 CB GLU A 53 -4.390 -8.633 -2.240 1.00 0.00 C ATOM 830 CG GLU A 53 -5.718 -8.944 -1.572 1.00 0.00 C ATOM 831 CD GLU A 53 -6.907 -8.516 -2.409 1.00 0.00 C ATOM 832 OE1 GLU A 53 -6.852 -8.682 -3.646 1.00 0.00 O ATOM 833 OE2 GLU A 53 -7.892 -8.014 -1.829 1.00 0.00 O ATOM 0 H GLU A 53 -2.880 -7.640 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.558 -10.342 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.199 -7.562 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.461 -8.875 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.781 -10.015 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.760 -8.443 -0.605 1.00 0.00 H new ATOM 840 N TRP A 54 -1.484 -8.626 -3.160 1.00 0.00 N ATOM 841 CA TRP A 54 -0.461 -8.762 -4.190 1.00 0.00 C ATOM 842 C TRP A 54 0.848 -8.117 -3.746 1.00 0.00 C ATOM 843 O TRP A 54 1.928 -8.668 -3.962 1.00 0.00 O ATOM 844 CB TRP A 54 -0.937 -8.129 -5.499 1.00 0.00 C ATOM 845 CG TRP A 54 -2.423 -8.199 -5.685 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.282 -7.146 -5.821 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.224 -9.384 -5.754 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.568 -7.605 -5.971 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.559 -8.974 -5.934 1.00 0.00 C ATOM 850 CE3 TRP A 54 -2.942 -10.751 -5.684 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.608 -9.883 -6.042 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -3.984 -11.652 -5.791 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.304 -11.215 -5.970 1.00 0.00 C ATOM 0 H TRP A 54 -1.622 -7.672 -2.826 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.284 -9.825 -4.352 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.623 -7.085 -5.525 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.449 -8.630 -6.335 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.993 -6.105 -5.812 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.396 -7.021 -6.091 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.928 -11.097 -5.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.626 -9.548 -6.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.778 -12.711 -5.736 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.096 -11.944 -6.053 1.00 0.00 H new ATOM 864 N LEU A 55 0.744 -6.946 -3.126 1.00 0.00 N ATOM 865 CA LEU A 55 1.921 -6.226 -2.652 1.00 0.00 C ATOM 866 C LEU A 55 2.336 -6.714 -1.267 1.00 0.00 C ATOM 867 O LEU A 55 1.874 -6.195 -0.251 1.00 0.00 O ATOM 868 CB LEU A 55 1.641 -4.722 -2.612 1.00 0.00 C ATOM 869 CG LEU A 55 0.639 -4.199 -3.643 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.569 -2.681 -3.595 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.014 -4.674 -5.039 1.00 0.00 C ATOM 0 H LEU A 55 -0.142 -6.476 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 55 2.739 -6.419 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.275 -4.467 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.584 -4.193 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.346 -4.596 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.149 -2.326 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.253 -2.363 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.552 -2.264 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.291 -4.293 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.008 -4.306 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.012 -5.764 -5.065 1.00 0.00 H new ATOM 883 N ASP A 56 3.211 -7.712 -1.236 1.00 0.00 N ATOM 884 CA ASP A 56 3.692 -8.268 0.024 1.00 0.00 C ATOM 885 C ASP A 56 4.834 -9.251 -0.217 1.00 0.00 C ATOM 886 O ASP A 56 4.817 -10.041 -1.161 1.00 0.00 O ATOM 887 CB ASP A 56 2.551 -8.964 0.767 1.00 0.00 C ATOM 888 CG ASP A 56 2.917 -9.307 2.198 1.00 0.00 C ATOM 889 OD1 ASP A 56 2.922 -8.390 3.045 1.00 0.00 O ATOM 890 OD2 ASP A 56 3.196 -10.493 2.471 1.00 0.00 O ATOM 0 H ASP A 56 3.602 -8.153 -2.068 1.00 0.00 H new ATOM 0 HA ASP A 56 4.066 -7.447 0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.672 -8.319 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.278 -9.876 0.236 1.00 0.00 H new ATOM 895 N PRO A 57 5.851 -9.203 0.656 1.00 0.00 N ATOM 896 CA PRO A 57 7.020 -10.082 0.559 1.00 0.00 C ATOM 897 C PRO A 57 6.682 -11.533 0.883 1.00 0.00 C ATOM 898 O PRO A 57 7.038 -12.445 0.136 1.00 0.00 O ATOM 899 CB PRO A 57 7.981 -9.510 1.604 1.00 0.00 C ATOM 900 CG PRO A 57 7.103 -8.822 2.591 1.00 0.00 C ATOM 901 CD PRO A 57 5.938 -8.286 1.805 1.00 0.00 C ATOM 0 HA PRO A 57 7.431 -10.105 -0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.566 -10.299 2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.689 -8.815 1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.767 -9.514 3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.638 -8.017 3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.020 -8.291 2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.107 -7.257 1.486 1.00 0.00 H new