USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 408 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 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 30 TYR OH : rot 30:sc= -0.696 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 18:sc= 0.677 USER MOD Single : A 37 HIS : no HE2:sc= -0.647 K(o=-0.65,f=-2.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0859 K(o=-0.086,f=-1.3!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= -0.858 (180deg=-2.7!) USER MOD Single : A 48 TYR OH : rot -154:sc= 0.25 USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= -0.0289 (180deg=-0.245) USER MOD Single : A 52 THR OG1 : rot 123:sc= 1.2 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.6!) USER MOD Single : A 62 LYS NZ :NH3+ 141:sc= -0.356 (180deg=-1.7) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N LYS A 12 -8.017 7.612 10.434 1.00 0.00 N ATOM 133 CA LYS A 12 -6.699 8.076 10.018 1.00 0.00 C ATOM 134 C LYS A 12 -6.597 8.132 8.497 1.00 0.00 C ATOM 135 O LYS A 12 -5.971 9.034 7.939 1.00 0.00 O ATOM 136 CB LYS A 12 -5.612 7.156 10.578 1.00 0.00 C ATOM 137 CG LYS A 12 -4.293 7.863 10.841 1.00 0.00 C ATOM 138 CD LYS A 12 -3.335 6.983 11.626 1.00 0.00 C ATOM 139 CE LYS A 12 -1.904 7.488 11.526 1.00 0.00 C ATOM 140 NZ LYS A 12 -0.915 6.410 11.800 1.00 0.00 N ATOM 0 HA LYS A 12 -6.554 9.082 10.412 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.968 6.711 11.507 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.443 6.338 9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.835 8.145 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.477 8.785 11.393 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.640 6.955 12.672 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.388 5.961 11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.731 7.895 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.757 8.304 12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.048 6.794 11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.063 6.039 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.038 5.642 11.109 1.00 0.00 H new ATOM 154 N PHE A 13 -7.218 7.164 7.831 1.00 0.00 N ATOM 155 CA PHE A 13 -7.198 7.104 6.374 1.00 0.00 C ATOM 156 C PHE A 13 -8.611 7.189 5.806 1.00 0.00 C ATOM 157 O PHE A 13 -9.413 6.269 5.967 1.00 0.00 O ATOM 158 CB PHE A 13 -6.524 5.813 5.905 1.00 0.00 C ATOM 159 CG PHE A 13 -5.217 5.535 6.591 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.108 6.328 6.346 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.099 4.480 7.482 1.00 0.00 C ATOM 162 CE1 PHE A 13 -2.905 6.074 6.976 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.898 4.221 8.115 1.00 0.00 C ATOM 164 CZ PHE A 13 -2.800 5.020 7.863 1.00 0.00 C ATOM 0 H PHE A 13 -7.741 6.411 8.277 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.627 7.957 6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.201 4.976 6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.356 5.871 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.185 7.154 5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.955 3.853 7.684 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.047 6.699 6.775 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.818 3.395 8.806 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.861 4.821 8.358 1.00 0.00 H new ATOM 174 N ALA A 14 -8.910 8.301 5.142 1.00 0.00 N ATOM 175 CA ALA A 14 -10.226 8.506 4.549 1.00 0.00 C ATOM 176 C ALA A 14 -10.528 7.441 3.500 1.00 0.00 C ATOM 177 O ALA A 14 -9.617 6.896 2.875 1.00 0.00 O ATOM 178 CB ALA A 14 -10.317 9.895 3.935 1.00 0.00 C ATOM 0 H ALA A 14 -8.259 9.073 5.001 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.971 8.420 5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.305 10.035 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.154 10.646 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.557 10.001 3.161 1.00 0.00 H new ATOM 184 N ASP A 15 -11.810 7.148 3.313 1.00 0.00 N ATOM 185 CA ASP A 15 -12.231 6.148 2.339 1.00 0.00 C ATOM 186 C ASP A 15 -11.852 6.573 0.924 1.00 0.00 C ATOM 187 O ASP A 15 -12.051 7.724 0.536 1.00 0.00 O ATOM 188 CB ASP A 15 -13.742 5.922 2.429 1.00 0.00 C ATOM 189 CG ASP A 15 -14.112 4.904 3.490 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.263 4.046 3.810 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.251 4.964 3.999 1.00 0.00 O ATOM 0 H ASP A 15 -12.576 7.589 3.823 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.717 5.215 2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.236 6.868 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.115 5.586 1.461 1.00 0.00 H new ATOM 196 N GLY A 16 -11.303 5.637 0.157 1.00 0.00 N ATOM 197 CA GLY A 16 -10.903 5.934 -1.206 1.00 0.00 C ATOM 198 C GLY A 16 -9.525 6.561 -1.282 1.00 0.00 C ATOM 199 O GLY A 16 -8.956 6.694 -2.365 1.00 0.00 O ATOM 0 H GLY A 16 -11.128 4.677 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.914 5.016 -1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.631 6.609 -1.656 1.00 0.00 H new ATOM 203 N GLU A 17 -8.989 6.950 -0.130 1.00 0.00 N ATOM 204 CA GLU A 17 -7.670 7.569 -0.072 1.00 0.00 C ATOM 205 C GLU A 17 -6.586 6.581 -0.493 1.00 0.00 C ATOM 206 O GLU A 17 -6.656 5.393 -0.176 1.00 0.00 O ATOM 207 CB GLU A 17 -7.385 8.084 1.341 1.00 0.00 C ATOM 208 CG GLU A 17 -6.404 9.243 1.380 1.00 0.00 C ATOM 209 CD GLU A 17 -6.716 10.307 0.346 1.00 0.00 C ATOM 210 OE1 GLU A 17 -7.911 10.618 0.156 1.00 0.00 O ATOM 211 OE2 GLU A 17 -5.765 10.830 -0.273 1.00 0.00 O ATOM 0 H GLU A 17 -9.447 6.848 0.775 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.661 8.409 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.323 8.397 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.992 7.266 1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.417 9.692 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.395 8.866 1.214 1.00 0.00 H new ATOM 218 N VAL A 18 -5.584 7.080 -1.209 1.00 0.00 N ATOM 219 CA VAL A 18 -4.484 6.243 -1.674 1.00 0.00 C ATOM 220 C VAL A 18 -3.293 6.325 -0.727 1.00 0.00 C ATOM 221 O VAL A 18 -2.561 7.316 -0.716 1.00 0.00 O ATOM 222 CB VAL A 18 -4.030 6.647 -3.089 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.916 5.732 -3.574 1.00 0.00 C ATOM 224 CG2 VAL A 18 -5.207 6.623 -4.052 1.00 0.00 C ATOM 0 H VAL A 18 -5.511 8.061 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.855 5.218 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.641 7.665 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.608 6.033 -4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.065 5.803 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.275 4.703 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.869 6.911 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.627 5.618 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.970 7.323 -3.712 1.00 0.00 H new ATOM 234 N VAL A 19 -3.102 5.277 0.069 1.00 0.00 N ATOM 235 CA VAL A 19 -1.997 5.230 1.019 1.00 0.00 C ATOM 236 C VAL A 19 -1.111 4.015 0.772 1.00 0.00 C ATOM 237 O VAL A 19 -1.318 3.267 -0.184 1.00 0.00 O ATOM 238 CB VAL A 19 -2.508 5.192 2.472 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.246 6.477 2.812 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.402 3.980 2.690 1.00 0.00 C ATOM 0 H VAL A 19 -3.698 4.449 0.074 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.413 6.138 0.870 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.650 5.107 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.600 6.432 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.571 7.325 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.097 6.596 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.754 3.969 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.257 4.032 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.836 3.070 2.490 1.00 0.00 H new ATOM 250 N ARG A 20 -0.123 3.823 1.639 1.00 0.00 N ATOM 251 CA ARG A 20 0.796 2.698 1.514 1.00 0.00 C ATOM 252 C ARG A 20 0.530 1.656 2.597 1.00 0.00 C ATOM 253 O ARG A 20 0.314 1.995 3.760 1.00 0.00 O ATOM 254 CB ARG A 20 2.244 3.183 1.603 1.00 0.00 C ATOM 255 CG ARG A 20 2.593 4.251 0.579 1.00 0.00 C ATOM 256 CD ARG A 20 4.066 4.203 0.203 1.00 0.00 C ATOM 257 NE ARG A 20 4.502 5.430 -0.458 1.00 0.00 N ATOM 258 CZ ARG A 20 4.189 5.741 -1.711 1.00 0.00 C ATOM 259 NH1 ARG A 20 3.441 4.919 -2.434 1.00 0.00 N ATOM 260 NH2 ARG A 20 4.624 6.876 -2.242 1.00 0.00 N ATOM 0 H ARG A 20 0.062 4.432 2.436 1.00 0.00 H new ATOM 0 HA ARG A 20 0.634 2.235 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.425 3.577 2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.912 2.332 1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.984 4.113 -0.314 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.351 5.235 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.664 4.042 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.245 3.353 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 20 5.078 6.084 0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.105 4.046 -2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.202 5.160 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.199 7.511 -1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.383 7.114 -3.204 1.00 0.00 H new ATOM 274 N GLY A 21 0.548 0.386 2.206 1.00 0.00 N ATOM 275 CA GLY A 21 0.307 -0.686 3.154 1.00 0.00 C ATOM 276 C GLY A 21 1.364 -1.771 3.084 1.00 0.00 C ATOM 277 O GLY A 21 1.657 -2.292 2.007 1.00 0.00 O ATOM 0 H GLY A 21 0.725 0.080 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.279 -0.275 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.672 -1.124 2.961 1.00 0.00 H new ATOM 281 N ARG A 22 1.937 -2.111 4.233 1.00 0.00 N ATOM 282 CA ARG A 22 2.969 -3.139 4.297 1.00 0.00 C ATOM 283 C ARG A 22 2.372 -4.525 4.068 1.00 0.00 C ATOM 284 O ARG A 22 1.633 -5.039 4.908 1.00 0.00 O ATOM 285 CB ARG A 22 3.679 -3.095 5.651 1.00 0.00 C ATOM 286 CG ARG A 22 5.002 -3.844 5.670 1.00 0.00 C ATOM 287 CD ARG A 22 5.661 -3.778 7.039 1.00 0.00 C ATOM 288 NE ARG A 22 7.115 -3.883 6.952 1.00 0.00 N ATOM 289 CZ ARG A 22 7.933 -3.610 7.963 1.00 0.00 C ATOM 290 NH1 ARG A 22 7.442 -3.217 9.130 1.00 0.00 N ATOM 291 NH2 ARG A 22 9.245 -3.729 7.806 1.00 0.00 N ATOM 0 H ARG A 22 1.704 -1.690 5.132 1.00 0.00 H new ATOM 0 HA ARG A 22 3.694 -2.940 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.856 -2.055 5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.021 -3.517 6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.835 -4.886 5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.672 -3.420 4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.394 -2.840 7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.276 -4.583 7.666 1.00 0.00 H new ATOM 0 HE ARG A 22 7.525 -4.182 6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.434 -3.123 9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.072 -3.008 9.904 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.626 -4.030 6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.873 -3.519 8.582 1.00 0.00 H new ATOM 305 N TRP A 23 2.697 -5.122 2.928 1.00 0.00 N ATOM 306 CA TRP A 23 2.192 -6.448 2.589 1.00 0.00 C ATOM 307 C TRP A 23 2.654 -7.483 3.608 1.00 0.00 C ATOM 308 O TRP A 23 3.789 -7.457 4.084 1.00 0.00 O ATOM 309 CB TRP A 23 2.656 -6.850 1.188 1.00 0.00 C ATOM 310 CG TRP A 23 2.164 -8.201 0.764 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.599 -9.412 1.221 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.145 -8.477 -0.203 1.00 0.00 C ATOM 313 NE1 TRP A 23 1.911 -10.424 0.596 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.013 -9.877 -0.281 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.329 -7.678 -1.009 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.100 -10.492 -1.134 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.576 -8.290 -1.854 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.686 -9.686 -1.911 1.00 0.00 C ATOM 0 H TRP A 23 3.308 -4.710 2.222 1.00 0.00 H new ATOM 0 HA TRP A 23 1.103 -6.410 2.606 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.312 -6.104 0.471 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.746 -6.842 1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.370 -9.553 1.964 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.047 -11.422 0.759 1.00 0.00 H new ATOM 0 HE3 TRP A 23 0.405 -6.601 -0.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.015 -11.568 -1.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.210 -7.682 -2.482 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.405 -10.134 -2.581 1.00 0.00 H new ATOM 329 N PRO A 24 1.756 -8.419 3.951 1.00 0.00 N ATOM 330 CA PRO A 24 2.050 -9.482 4.917 1.00 0.00 C ATOM 331 C PRO A 24 3.048 -10.499 4.373 1.00 0.00 C ATOM 332 O PRO A 24 2.714 -11.310 3.511 1.00 0.00 O ATOM 333 CB PRO A 24 0.687 -10.139 5.147 1.00 0.00 C ATOM 334 CG PRO A 24 -0.084 -9.856 3.904 1.00 0.00 C ATOM 335 CD PRO A 24 0.384 -8.511 3.423 1.00 0.00 C ATOM 0 HA PRO A 24 2.509 -9.092 5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.788 -11.211 5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.190 -9.724 6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.095 -10.623 3.151 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.156 -9.848 4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.367 -8.445 2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.247 -7.707 3.801 1.00 0.00 H new ATOM 343 N GLY A 25 4.274 -10.450 4.884 1.00 0.00 N ATOM 344 CA GLY A 25 5.301 -11.373 4.438 1.00 0.00 C ATOM 345 C GLY A 25 6.383 -10.688 3.627 1.00 0.00 C ATOM 346 O GLY A 25 7.552 -11.068 3.692 1.00 0.00 O ATOM 0 H GLY A 25 4.574 -9.788 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.752 -11.857 5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.843 -12.159 3.837 1.00 0.00 H new ATOM 350 N SER A 26 5.993 -9.676 2.858 1.00 0.00 N ATOM 351 CA SER A 26 6.938 -8.940 2.026 1.00 0.00 C ATOM 352 C SER A 26 7.778 -7.987 2.870 1.00 0.00 C ATOM 353 O SER A 26 8.985 -7.858 2.666 1.00 0.00 O ATOM 354 CB SER A 26 6.194 -8.158 0.942 1.00 0.00 C ATOM 355 OG SER A 26 6.990 -8.015 -0.221 1.00 0.00 O ATOM 0 H SER A 26 5.030 -9.347 2.794 1.00 0.00 H new ATOM 0 HA SER A 26 7.604 -9.661 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.266 -8.672 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.920 -7.174 1.322 1.00 0.00 H new ATOM 0 HG SER A 26 6.491 -7.513 -0.899 1.00 0.00 H new ATOM 361 N SER A 27 7.130 -7.320 3.820 1.00 0.00 N ATOM 362 CA SER A 27 7.815 -6.375 4.694 1.00 0.00 C ATOM 363 C SER A 27 8.148 -5.088 3.947 1.00 0.00 C ATOM 364 O SER A 27 9.097 -4.382 4.293 1.00 0.00 O ATOM 365 CB SER A 27 9.095 -7.000 5.252 1.00 0.00 C ATOM 366 OG SER A 27 9.434 -6.433 6.506 1.00 0.00 O ATOM 0 H SER A 27 6.131 -7.417 4.004 1.00 0.00 H new ATOM 0 HA SER A 27 7.147 -6.132 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.961 -8.076 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.914 -6.850 4.548 1.00 0.00 H new ATOM 0 HG SER A 27 10.255 -6.850 6.842 1.00 0.00 H new ATOM 372 N LEU A 28 7.362 -4.787 2.919 1.00 0.00 N ATOM 373 CA LEU A 28 7.572 -3.584 2.121 1.00 0.00 C ATOM 374 C LEU A 28 6.254 -2.856 1.876 1.00 0.00 C ATOM 375 O LEU A 28 5.234 -3.479 1.582 1.00 0.00 O ATOM 376 CB LEU A 28 8.225 -3.943 0.785 1.00 0.00 C ATOM 377 CG LEU A 28 9.616 -4.573 0.865 1.00 0.00 C ATOM 378 CD1 LEU A 28 10.047 -5.091 -0.498 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.627 -3.569 1.401 1.00 0.00 C ATOM 0 H LEU A 28 6.573 -5.360 2.618 1.00 0.00 H new ATOM 0 HA LEU A 28 8.235 -2.920 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.566 -4.631 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.292 -3.038 0.182 1.00 0.00 H new ATOM 0 HG LEU A 28 9.572 -5.417 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.039 -5.536 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.338 -5.844 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.074 -4.265 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.611 -4.035 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.668 -2.705 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.327 -3.247 2.398 1.00 0.00 H new ATOM 391 N TYR A 29 6.284 -1.534 1.998 1.00 0.00 N ATOM 392 CA TYR A 29 5.092 -0.720 1.790 1.00 0.00 C ATOM 393 C TYR A 29 4.876 -0.439 0.306 1.00 0.00 C ATOM 394 O TYR A 29 5.778 0.035 -0.385 1.00 0.00 O ATOM 395 CB TYR A 29 5.208 0.598 2.559 1.00 0.00 C ATOM 396 CG TYR A 29 5.483 0.416 4.034 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.782 0.279 4.508 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.443 0.382 4.955 1.00 0.00 C ATOM 399 CE1 TYR A 29 7.037 0.112 5.855 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.689 0.216 6.305 1.00 0.00 C ATOM 401 CZ TYR A 29 5.988 0.081 6.749 1.00 0.00 C ATOM 402 OH TYR A 29 6.238 -0.084 8.092 1.00 0.00 O ATOM 0 H TYR A 29 7.121 -1.003 2.240 1.00 0.00 H new ATOM 0 HA TYR A 29 4.233 -1.277 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.007 1.196 2.120 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.284 1.163 2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.607 0.304 3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.425 0.487 4.610 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.053 0.006 6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.869 0.192 7.008 1.00 0.00 H new ATOM 0 HH TYR A 29 5.391 -0.082 8.585 1.00 0.00 H new ATOM 412 N TYR A 30 3.674 -0.734 -0.176 1.00 0.00 N ATOM 413 CA TYR A 30 3.338 -0.515 -1.578 1.00 0.00 C ATOM 414 C TYR A 30 2.105 0.373 -1.710 1.00 0.00 C ATOM 415 O TYR A 30 1.346 0.547 -0.757 1.00 0.00 O ATOM 416 CB TYR A 30 3.095 -1.852 -2.280 1.00 0.00 C ATOM 417 CG TYR A 30 4.297 -2.769 -2.269 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.274 -2.677 -3.252 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.454 -3.729 -1.277 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.374 -3.513 -3.247 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.551 -4.569 -1.263 1.00 0.00 C ATOM 422 CZ TYR A 30 6.508 -4.457 -2.250 1.00 0.00 C ATOM 423 OH TYR A 30 7.602 -5.292 -2.240 1.00 0.00 O ATOM 0 H TYR A 30 2.916 -1.125 0.383 1.00 0.00 H new ATOM 0 HA TYR A 30 4.179 -0.010 -2.053 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.258 -2.358 -1.799 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.802 -1.663 -3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.172 -1.939 -4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.706 -3.820 -0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.124 -3.428 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.659 -5.309 -0.484 1.00 0.00 H new ATOM 0 HH TYR A 30 8.368 -4.833 -2.644 1.00 0.00 H new ATOM 433 N GLU A 31 1.912 0.933 -2.900 1.00 0.00 N ATOM 434 CA GLU A 31 0.771 1.804 -3.158 1.00 0.00 C ATOM 435 C GLU A 31 -0.537 1.022 -3.090 1.00 0.00 C ATOM 436 O GLU A 31 -0.823 0.191 -3.952 1.00 0.00 O ATOM 437 CB GLU A 31 0.909 2.470 -4.529 1.00 0.00 C ATOM 438 CG GLU A 31 -0.254 3.381 -4.883 1.00 0.00 C ATOM 439 CD GLU A 31 0.135 4.469 -5.865 1.00 0.00 C ATOM 440 OE1 GLU A 31 1.193 5.100 -5.664 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.620 4.688 -6.836 1.00 0.00 O ATOM 0 H GLU A 31 2.530 0.799 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 31 0.754 2.575 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.833 3.049 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.999 1.697 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.061 2.785 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.641 3.840 -3.973 1.00 0.00 H new ATOM 448 N VAL A 32 -1.329 1.293 -2.057 1.00 0.00 N ATOM 449 CA VAL A 32 -2.607 0.616 -1.875 1.00 0.00 C ATOM 450 C VAL A 32 -3.723 1.616 -1.591 1.00 0.00 C ATOM 451 O VAL A 32 -3.478 2.699 -1.061 1.00 0.00 O ATOM 452 CB VAL A 32 -2.542 -0.405 -0.723 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.527 -1.494 -1.032 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.207 0.292 0.587 1.00 0.00 C ATOM 0 H VAL A 32 -1.107 1.977 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.822 0.090 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.521 -0.873 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.495 -2.206 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.816 -2.011 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.542 -1.046 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.165 -0.444 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.240 0.788 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.975 1.032 0.812 1.00 0.00 H new ATOM 464 N GLU A 33 -4.948 1.243 -1.947 1.00 0.00 N ATOM 465 CA GLU A 33 -6.102 2.108 -1.731 1.00 0.00 C ATOM 466 C GLU A 33 -6.922 1.633 -0.535 1.00 0.00 C ATOM 467 O GLU A 33 -6.880 0.458 -0.169 1.00 0.00 O ATOM 468 CB GLU A 33 -6.981 2.147 -2.983 1.00 0.00 C ATOM 469 CG GLU A 33 -8.431 2.497 -2.698 1.00 0.00 C ATOM 470 CD GLU A 33 -9.244 2.691 -3.963 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.744 3.360 -4.892 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.379 2.175 -4.025 1.00 0.00 O ATOM 0 H GLU A 33 -5.167 0.349 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.736 3.113 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.571 2.876 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.941 1.175 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.881 1.705 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.470 3.409 -2.102 1.00 0.00 H new ATOM 479 N ILE A 34 -7.666 2.553 0.069 1.00 0.00 N ATOM 480 CA ILE A 34 -8.495 2.229 1.222 1.00 0.00 C ATOM 481 C ILE A 34 -9.907 1.843 0.793 1.00 0.00 C ATOM 482 O ILE A 34 -10.620 2.638 0.178 1.00 0.00 O ATOM 483 CB ILE A 34 -8.575 3.409 2.209 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.176 3.786 2.700 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.478 3.058 3.382 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.567 2.763 3.634 1.00 0.00 C ATOM 0 H ILE A 34 -7.711 3.530 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.024 1.381 1.720 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.002 4.268 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.520 3.916 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.226 4.748 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.524 3.902 4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.480 2.833 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.078 2.187 3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.576 3.096 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.201 2.650 4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.485 1.805 3.121 1.00 0.00 H new ATOM 498 N LEU A 35 -10.306 0.620 1.121 1.00 0.00 N ATOM 499 CA LEU A 35 -11.634 0.129 0.772 1.00 0.00 C ATOM 500 C LEU A 35 -12.602 0.299 1.938 1.00 0.00 C ATOM 501 O LEU A 35 -13.683 0.868 1.784 1.00 0.00 O ATOM 502 CB LEU A 35 -11.564 -1.344 0.363 1.00 0.00 C ATOM 503 CG LEU A 35 -10.616 -1.676 -0.789 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.697 -3.154 -1.138 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.935 -0.821 -2.006 1.00 0.00 C ATOM 0 H LEU A 35 -9.729 -0.050 1.628 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.001 0.716 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.265 -1.928 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.566 -1.672 0.088 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.597 -1.454 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.015 -3.372 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.418 -3.749 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.716 -3.402 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.250 -1.071 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.960 -1.011 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.824 0.233 -1.750 1.00 0.00 H new ATOM 517 N SER A 36 -12.207 -0.197 3.106 1.00 0.00 N ATOM 518 CA SER A 36 -13.040 -0.101 4.299 1.00 0.00 C ATOM 519 C SER A 36 -12.191 -0.194 5.564 1.00 0.00 C ATOM 520 O SER A 36 -10.964 -0.283 5.497 1.00 0.00 O ATOM 521 CB SER A 36 -14.097 -1.208 4.299 1.00 0.00 C ATOM 522 OG SER A 36 -15.158 -0.899 3.412 1.00 0.00 O ATOM 0 H SER A 36 -11.315 -0.670 3.252 1.00 0.00 H new ATOM 0 HA SER A 36 -13.538 0.868 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.639 -2.153 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.489 -1.341 5.307 1.00 0.00 H new ATOM 0 HG SER A 36 -14.867 -0.206 2.783 1.00 0.00 H new ATOM 528 N HIS A 37 -12.853 -0.172 6.716 1.00 0.00 N ATOM 529 CA HIS A 37 -12.160 -0.253 7.997 1.00 0.00 C ATOM 530 C HIS A 37 -12.978 -1.053 9.007 1.00 0.00 C ATOM 531 O HIS A 37 -14.165 -0.792 9.204 1.00 0.00 O ATOM 532 CB HIS A 37 -11.884 1.148 8.542 1.00 0.00 C ATOM 533 CG HIS A 37 -11.716 1.190 10.030 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.696 0.538 10.690 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.444 1.813 10.986 1.00 0.00 C ATOM 536 CE1 HIS A 37 -10.805 0.756 11.989 1.00 0.00 C ATOM 537 NE2 HIS A 37 -11.857 1.528 12.195 1.00 0.00 N ATOM 0 H HIS A 37 -13.868 -0.099 6.789 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.211 -0.765 7.837 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.982 1.541 8.072 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.704 1.807 8.259 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.971 -0.025 10.245 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.323 2.421 10.828 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.146 0.369 12.752 1.00 0.00 H new ATOM 546 N ASP A 38 -12.335 -2.026 9.643 1.00 0.00 N ATOM 547 CA ASP A 38 -13.003 -2.864 10.632 1.00 0.00 C ATOM 548 C ASP A 38 -12.535 -2.518 12.042 1.00 0.00 C ATOM 549 O ASP A 38 -11.407 -2.829 12.426 1.00 0.00 O ATOM 550 CB ASP A 38 -12.739 -4.342 10.342 1.00 0.00 C ATOM 551 CG ASP A 38 -13.660 -4.896 9.273 1.00 0.00 C ATOM 552 OD1 ASP A 38 -13.703 -4.314 8.169 1.00 0.00 O ATOM 553 OD2 ASP A 38 -14.337 -5.911 9.540 1.00 0.00 O ATOM 0 H ASP A 38 -11.352 -2.254 9.491 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.075 -2.675 10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.703 -4.468 10.026 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.865 -4.917 11.259 1.00 0.00 H new ATOM 558 N SER A 39 -13.408 -1.872 12.808 1.00 0.00 N ATOM 559 CA SER A 39 -13.082 -1.478 14.174 1.00 0.00 C ATOM 560 C SER A 39 -12.885 -2.705 15.060 1.00 0.00 C ATOM 561 O SER A 39 -12.105 -2.679 16.013 1.00 0.00 O ATOM 562 CB SER A 39 -14.188 -0.592 14.750 1.00 0.00 C ATOM 563 OG SER A 39 -14.069 -0.478 16.158 1.00 0.00 O ATOM 0 H SER A 39 -14.346 -1.610 12.506 1.00 0.00 H new ATOM 0 HA SER A 39 -12.150 -0.914 14.151 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.139 0.398 14.296 1.00 0.00 H new ATOM 0 HB3 SER A 39 -15.162 -1.010 14.497 1.00 0.00 H new ATOM 0 HG SER A 39 -14.786 0.094 16.502 1.00 0.00 H new ATOM 569 N THR A 40 -13.597 -3.780 14.739 1.00 0.00 N ATOM 570 CA THR A 40 -13.503 -5.017 15.504 1.00 0.00 C ATOM 571 C THR A 40 -12.053 -5.346 15.840 1.00 0.00 C ATOM 572 O THR A 40 -11.708 -5.560 17.002 1.00 0.00 O ATOM 573 CB THR A 40 -14.123 -6.200 14.738 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.443 -5.862 14.299 1.00 0.00 O ATOM 575 CG2 THR A 40 -14.177 -7.443 15.615 1.00 0.00 C ATOM 0 H THR A 40 -14.246 -3.819 13.953 1.00 0.00 H new ATOM 0 HA THR A 40 -14.060 -4.861 16.428 1.00 0.00 H new ATOM 0 HB THR A 40 -13.496 -6.412 13.872 1.00 0.00 H new ATOM 0 HG1 THR A 40 -15.829 -6.619 13.811 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.619 -8.266 15.053 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.168 -7.715 15.923 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.784 -7.240 16.497 1.00 0.00 H new ATOM 583 N SER A 41 -11.207 -5.385 14.815 1.00 0.00 N ATOM 584 CA SER A 41 -9.794 -5.692 15.001 1.00 0.00 C ATOM 585 C SER A 41 -8.918 -4.553 14.487 1.00 0.00 C ATOM 586 O SER A 41 -7.719 -4.727 14.274 1.00 0.00 O ATOM 587 CB SER A 41 -9.433 -6.992 14.281 1.00 0.00 C ATOM 588 OG SER A 41 -10.021 -8.111 14.923 1.00 0.00 O ATOM 0 H SER A 41 -11.476 -5.208 13.847 1.00 0.00 H new ATOM 0 HA SER A 41 -9.612 -5.814 16.069 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.771 -6.944 13.246 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.350 -7.110 14.258 1.00 0.00 H new ATOM 0 HG SER A 41 -9.777 -8.929 14.443 1.00 0.00 H new ATOM 594 N GLN A 42 -9.528 -3.389 14.290 1.00 0.00 N ATOM 595 CA GLN A 42 -8.805 -2.221 13.800 1.00 0.00 C ATOM 596 C GLN A 42 -8.059 -2.545 12.510 1.00 0.00 C ATOM 597 O GLN A 42 -7.022 -1.949 12.213 1.00 0.00 O ATOM 598 CB GLN A 42 -7.822 -1.722 14.860 1.00 0.00 C ATOM 599 CG GLN A 42 -8.476 -0.891 15.953 1.00 0.00 C ATOM 600 CD GLN A 42 -8.629 0.566 15.565 1.00 0.00 C ATOM 601 OE1 GLN A 42 -7.801 1.118 14.839 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.693 1.199 16.047 1.00 0.00 N ATOM 0 H GLN A 42 -10.521 -3.229 14.462 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.532 -1.436 13.591 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.325 -2.579 15.315 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.049 -1.126 14.375 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.457 -1.307 16.183 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.880 -0.960 16.863 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.354 0.703 16.645 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.849 2.181 15.819 1.00 0.00 H new ATOM 611 N LEU A 43 -8.591 -3.493 11.747 1.00 0.00 N ATOM 612 CA LEU A 43 -7.975 -3.897 10.488 1.00 0.00 C ATOM 613 C LEU A 43 -8.575 -3.126 9.316 1.00 0.00 C ATOM 614 O LEU A 43 -9.795 -3.061 9.162 1.00 0.00 O ATOM 615 CB LEU A 43 -8.153 -5.400 10.269 1.00 0.00 C ATOM 616 CG LEU A 43 -7.307 -6.313 11.157 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.828 -7.741 11.106 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.846 -6.262 10.734 1.00 0.00 C ATOM 0 H LEU A 43 -9.448 -3.996 11.978 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.911 -3.668 10.543 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.203 -5.647 10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.923 -5.625 9.228 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.381 -5.958 12.185 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.213 -8.376 11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.860 -7.765 11.457 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.785 -8.108 10.080 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.258 -6.918 11.376 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.755 -6.592 9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.477 -5.240 10.823 1.00 0.00 H new ATOM 630 N TYR A 44 -7.710 -2.546 8.491 1.00 0.00 N ATOM 631 CA TYR A 44 -8.154 -1.780 7.333 1.00 0.00 C ATOM 632 C TYR A 44 -8.072 -2.619 6.061 1.00 0.00 C ATOM 633 O TYR A 44 -7.057 -3.261 5.790 1.00 0.00 O ATOM 634 CB TYR A 44 -7.309 -0.515 7.178 1.00 0.00 C ATOM 635 CG TYR A 44 -7.701 0.596 8.127 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.427 0.503 9.486 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.347 1.736 7.664 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.784 1.515 10.357 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.706 2.753 8.528 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.423 2.637 9.873 1.00 0.00 C ATOM 641 OH TYR A 44 -8.781 3.647 10.736 1.00 0.00 O ATOM 0 H TYR A 44 -6.697 -2.592 8.603 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.194 -1.497 7.493 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.261 -0.766 7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.396 -0.154 6.153 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.927 -0.375 9.868 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.572 1.829 6.612 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.564 1.428 11.411 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.205 3.634 8.152 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.221 4.365 10.235 1.00 0.00 H new ATOM 651 N THR A 45 -9.150 -2.607 5.282 1.00 0.00 N ATOM 652 CA THR A 45 -9.203 -3.366 4.039 1.00 0.00 C ATOM 653 C THR A 45 -8.702 -2.533 2.865 1.00 0.00 C ATOM 654 O THR A 45 -9.396 -1.636 2.386 1.00 0.00 O ATOM 655 CB THR A 45 -10.633 -3.850 3.737 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.176 -4.519 4.881 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.645 -4.790 2.541 1.00 0.00 C ATOM 0 H THR A 45 -9.998 -2.080 5.491 1.00 0.00 H new ATOM 0 HA THR A 45 -8.554 -4.232 4.170 1.00 0.00 H new ATOM 0 HB THR A 45 -11.245 -2.979 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.086 -4.822 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.666 -5.119 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.259 -4.269 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.019 -5.657 2.753 1.00 0.00 H new ATOM 665 N VAL A 46 -7.492 -2.834 2.405 1.00 0.00 N ATOM 666 CA VAL A 46 -6.898 -2.114 1.285 1.00 0.00 C ATOM 667 C VAL A 46 -6.778 -3.009 0.057 1.00 0.00 C ATOM 668 O VAL A 46 -6.787 -4.236 0.166 1.00 0.00 O ATOM 669 CB VAL A 46 -5.504 -1.566 1.645 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.587 -0.650 2.856 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.532 -2.709 1.896 1.00 0.00 C ATOM 0 H VAL A 46 -6.903 -3.572 2.791 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.561 -1.279 1.059 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.133 -0.982 0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.593 -0.273 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.249 0.187 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.978 -1.207 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.552 -2.304 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.896 -3.321 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.451 -3.321 0.998 1.00 0.00 H new ATOM 681 N LYS A 47 -6.666 -2.389 -1.112 1.00 0.00 N ATOM 682 CA LYS A 47 -6.542 -3.128 -2.363 1.00 0.00 C ATOM 683 C LYS A 47 -5.266 -2.739 -3.101 1.00 0.00 C ATOM 684 O LYS A 47 -4.959 -1.556 -3.249 1.00 0.00 O ATOM 685 CB LYS A 47 -7.759 -2.870 -3.255 1.00 0.00 C ATOM 686 CG LYS A 47 -8.051 -3.999 -4.228 1.00 0.00 C ATOM 687 CD LYS A 47 -9.263 -3.692 -5.090 1.00 0.00 C ATOM 688 CE LYS A 47 -8.889 -2.845 -6.297 1.00 0.00 C ATOM 689 NZ LYS A 47 -8.657 -1.422 -5.925 1.00 0.00 N ATOM 0 H LYS A 47 -6.659 -1.375 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.493 -4.190 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.634 -2.710 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.598 -1.950 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.183 -4.165 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.221 -4.923 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.718 -4.624 -5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.011 -3.168 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.990 -3.250 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.684 -2.901 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.045 -0.802 -6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.128 -1.219 -5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.636 -1.250 -5.830 1.00 0.00 H new ATOM 703 N TYR A 48 -4.526 -3.741 -3.563 1.00 0.00 N ATOM 704 CA TYR A 48 -3.282 -3.503 -4.286 1.00 0.00 C ATOM 705 C TYR A 48 -3.535 -3.402 -5.787 1.00 0.00 C ATOM 706 O TYR A 48 -4.502 -3.960 -6.305 1.00 0.00 O ATOM 707 CB TYR A 48 -2.280 -4.623 -4.000 1.00 0.00 C ATOM 708 CG TYR A 48 -1.744 -4.611 -2.586 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.453 -5.205 -1.549 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.531 -4.005 -2.287 1.00 0.00 C ATOM 711 CE1 TYR A 48 -1.968 -5.196 -0.256 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.037 -3.992 -0.997 1.00 0.00 C ATOM 713 CZ TYR A 48 -0.760 -4.588 0.015 1.00 0.00 C ATOM 714 OH TYR A 48 -0.272 -4.576 1.302 1.00 0.00 O ATOM 0 H TYR A 48 -4.766 -4.726 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.866 -2.556 -3.942 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.758 -5.584 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.446 -4.539 -4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.399 -5.682 -1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.036 -3.535 -3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.531 -5.662 0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.909 -3.518 -0.782 1.00 0.00 H new ATOM 0 HH TYR A 48 0.323 -3.806 1.419 1.00 0.00 H new ATOM 724 N LYS A 49 -2.657 -2.685 -6.480 1.00 0.00 N ATOM 725 CA LYS A 49 -2.780 -2.510 -7.923 1.00 0.00 C ATOM 726 C LYS A 49 -3.214 -3.810 -8.593 1.00 0.00 C ATOM 727 O LYS A 49 -4.254 -3.863 -9.251 1.00 0.00 O ATOM 728 CB LYS A 49 -1.451 -2.037 -8.516 1.00 0.00 C ATOM 729 CG LYS A 49 -1.608 -1.234 -9.796 1.00 0.00 C ATOM 730 CD LYS A 49 -0.465 -0.250 -9.979 1.00 0.00 C ATOM 731 CE LYS A 49 -0.732 1.056 -9.247 1.00 0.00 C ATOM 732 NZ LYS A 49 -1.806 1.851 -9.903 1.00 0.00 N ATOM 0 H LYS A 49 -1.852 -2.215 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.543 -1.754 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.929 -1.429 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.823 -2.905 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.647 -1.911 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.555 -0.694 -9.774 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.460 -0.693 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.322 -0.050 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.016 0.843 -8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.184 1.645 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.734 2.845 -9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.701 1.791 -10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.735 1.474 -9.627 1.00 0.00 H new ATOM 746 N ASP A 50 -2.413 -4.855 -8.421 1.00 0.00 N ATOM 747 CA ASP A 50 -2.716 -6.156 -9.008 1.00 0.00 C ATOM 748 C ASP A 50 -4.190 -6.503 -8.828 1.00 0.00 C ATOM 749 O ASP A 50 -4.808 -7.107 -9.704 1.00 0.00 O ATOM 750 CB ASP A 50 -1.843 -7.240 -8.375 1.00 0.00 C ATOM 751 CG ASP A 50 -1.789 -7.132 -6.864 1.00 0.00 C ATOM 752 OD1 ASP A 50 -1.295 -6.102 -6.360 1.00 0.00 O ATOM 753 OD2 ASP A 50 -2.242 -8.078 -6.185 1.00 0.00 O ATOM 0 H ASP A 50 -1.549 -4.827 -7.880 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.501 -6.105 -10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.229 -8.221 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.833 -7.169 -8.778 1.00 0.00 H new ATOM 758 N GLY A 51 -4.748 -6.118 -7.684 1.00 0.00 N ATOM 759 CA GLY A 51 -6.145 -6.398 -7.409 1.00 0.00 C ATOM 760 C GLY A 51 -6.327 -7.358 -6.249 1.00 0.00 C ATOM 761 O GLY A 51 -7.215 -8.211 -6.272 1.00 0.00 O ATOM 0 H GLY A 51 -4.257 -5.617 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.663 -5.465 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.611 -6.818 -8.301 1.00 0.00 H new ATOM 765 N THR A 52 -5.482 -7.220 -5.232 1.00 0.00 N ATOM 766 CA THR A 52 -5.551 -8.083 -4.059 1.00 0.00 C ATOM 767 C THR A 52 -6.000 -7.304 -2.828 1.00 0.00 C ATOM 768 O THR A 52 -5.496 -6.216 -2.554 1.00 0.00 O ATOM 769 CB THR A 52 -4.191 -8.744 -3.767 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.779 -9.535 -4.887 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.269 -9.617 -2.524 1.00 0.00 C ATOM 0 H THR A 52 -4.742 -6.519 -5.197 1.00 0.00 H new ATOM 0 HA THR A 52 -6.283 -8.859 -4.281 1.00 0.00 H new ATOM 0 HB THR A 52 -3.459 -7.955 -3.592 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.904 -9.225 -5.202 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.297 -10.073 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.553 -9.006 -1.667 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.014 -10.399 -2.675 1.00 0.00 H new ATOM 779 N GLU A 53 -6.951 -7.869 -2.090 1.00 0.00 N ATOM 780 CA GLU A 53 -7.467 -7.225 -0.888 1.00 0.00 C ATOM 781 C GLU A 53 -6.938 -7.913 0.367 1.00 0.00 C ATOM 782 O GLU A 53 -7.020 -9.134 0.501 1.00 0.00 O ATOM 783 CB GLU A 53 -8.997 -7.246 -0.889 1.00 0.00 C ATOM 784 CG GLU A 53 -9.617 -6.391 -1.981 1.00 0.00 C ATOM 785 CD GLU A 53 -11.082 -6.709 -2.209 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.387 -7.859 -2.590 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.924 -5.809 -2.008 1.00 0.00 O ATOM 0 H GLU A 53 -7.379 -8.770 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.125 -6.190 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.338 -8.275 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.357 -6.900 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.514 -5.339 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.068 -6.541 -2.910 1.00 0.00 H new ATOM 794 N LEU A 54 -6.395 -7.120 1.284 1.00 0.00 N ATOM 795 CA LEU A 54 -5.852 -7.651 2.530 1.00 0.00 C ATOM 796 C LEU A 54 -6.249 -6.776 3.714 1.00 0.00 C ATOM 797 O LEU A 54 -6.816 -5.698 3.539 1.00 0.00 O ATOM 798 CB LEU A 54 -4.328 -7.751 2.443 1.00 0.00 C ATOM 799 CG LEU A 54 -3.774 -8.549 1.262 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.264 -8.389 1.171 1.00 0.00 C ATOM 801 CD2 LEU A 54 -4.150 -10.018 1.387 1.00 0.00 C ATOM 0 H LEU A 54 -6.319 -6.107 1.189 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.267 -8.647 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.920 -6.741 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.960 -8.202 3.365 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.216 -8.159 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.888 -8.964 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.017 -7.336 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.804 -8.752 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.747 -10.570 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.737 -10.422 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.236 -10.116 1.401 1.00 0.00 H new ATOM 813 N GLU A 55 -5.944 -7.247 4.920 1.00 0.00 N ATOM 814 CA GLU A 55 -6.269 -6.506 6.133 1.00 0.00 C ATOM 815 C GLU A 55 -5.000 -6.052 6.849 1.00 0.00 C ATOM 816 O GLU A 55 -4.215 -6.873 7.325 1.00 0.00 O ATOM 817 CB GLU A 55 -7.117 -7.366 7.071 1.00 0.00 C ATOM 818 CG GLU A 55 -8.606 -7.310 6.770 1.00 0.00 C ATOM 819 CD GLU A 55 -9.355 -8.517 7.300 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.255 -9.597 6.681 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.040 -8.381 8.335 1.00 0.00 O ATOM 0 H GLU A 55 -5.473 -8.137 5.082 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.840 -5.623 5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.780 -8.401 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.950 -7.041 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.027 -6.405 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.752 -7.241 5.692 1.00 0.00 H new ATOM 828 N LEU A 56 -4.805 -4.740 6.921 1.00 0.00 N ATOM 829 CA LEU A 56 -3.632 -4.175 7.578 1.00 0.00 C ATOM 830 C LEU A 56 -4.040 -3.212 8.688 1.00 0.00 C ATOM 831 O LEU A 56 -4.857 -2.315 8.477 1.00 0.00 O ATOM 832 CB LEU A 56 -2.750 -3.453 6.558 1.00 0.00 C ATOM 833 CG LEU A 56 -2.468 -4.209 5.260 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.693 -3.332 4.289 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.706 -5.495 5.545 1.00 0.00 C ATOM 0 H LEU A 56 -5.445 -4.047 6.532 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.066 -4.993 8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.223 -2.504 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.797 -3.219 7.033 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.421 -4.470 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.501 -3.887 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.276 -2.440 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.745 -3.039 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.514 -6.019 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.758 -5.257 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.299 -6.131 6.202 1.00 0.00 H new ATOM 847 N LYS A 57 -3.464 -3.400 9.870 1.00 0.00 N ATOM 848 CA LYS A 57 -3.764 -2.546 11.013 1.00 0.00 C ATOM 849 C LYS A 57 -3.460 -1.086 10.695 1.00 0.00 C ATOM 850 O LYS A 57 -2.768 -0.784 9.724 1.00 0.00 O ATOM 851 CB LYS A 57 -2.957 -2.992 12.235 1.00 0.00 C ATOM 852 CG LYS A 57 -3.268 -4.409 12.685 1.00 0.00 C ATOM 853 CD LYS A 57 -2.788 -4.660 14.105 1.00 0.00 C ATOM 854 CE LYS A 57 -3.599 -5.753 14.782 1.00 0.00 C ATOM 855 NZ LYS A 57 -2.814 -6.456 15.835 1.00 0.00 N ATOM 0 H LYS A 57 -2.786 -4.137 10.062 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.827 -2.638 11.235 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.894 -2.918 12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.153 -2.307 13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.342 -4.583 12.627 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.793 -5.119 12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.735 -4.943 14.090 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.862 -3.739 14.683 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.494 -5.318 15.226 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.931 -6.474 14.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.402 -7.194 16.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.973 -6.893 15.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.518 -5.773 16.561 1.00 0.00 H new ATOM 869 N GLU A 58 -3.982 -0.184 11.522 1.00 0.00 N ATOM 870 CA GLU A 58 -3.765 1.245 11.328 1.00 0.00 C ATOM 871 C GLU A 58 -2.275 1.563 11.246 1.00 0.00 C ATOM 872 O GLU A 58 -1.861 2.468 10.522 1.00 0.00 O ATOM 873 CB GLU A 58 -4.405 2.040 12.467 1.00 0.00 C ATOM 874 CG GLU A 58 -4.741 3.474 12.095 1.00 0.00 C ATOM 875 CD GLU A 58 -4.803 4.391 13.302 1.00 0.00 C ATOM 876 OE1 GLU A 58 -3.741 4.900 13.716 1.00 0.00 O ATOM 877 OE2 GLU A 58 -5.915 4.598 13.832 1.00 0.00 O ATOM 0 H GLU A 58 -4.557 -0.418 12.331 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.233 1.533 10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.316 1.533 12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.728 2.044 13.321 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.993 3.849 11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.700 3.496 11.577 1.00 0.00 H new ATOM 884 N ASN A 59 -1.473 0.811 11.994 1.00 0.00 N ATOM 885 CA ASN A 59 -0.029 1.013 12.007 1.00 0.00 C ATOM 886 C ASN A 59 0.607 0.478 10.728 1.00 0.00 C ATOM 887 O ASN A 59 1.444 1.140 10.115 1.00 0.00 O ATOM 888 CB ASN A 59 0.592 0.325 13.225 1.00 0.00 C ATOM 889 CG ASN A 59 0.297 1.061 14.517 1.00 0.00 C ATOM 890 OD1 ASN A 59 -0.717 1.749 14.636 1.00 0.00 O ATOM 891 ND2 ASN A 59 1.185 0.920 15.494 1.00 0.00 N ATOM 0 H ASN A 59 -1.799 0.057 12.598 1.00 0.00 H new ATOM 0 HA ASN A 59 0.162 2.084 12.066 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.213 -0.694 13.296 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.671 0.255 13.088 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.040 1.392 16.387 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.012 0.340 15.352 1.00 0.00 H new ATOM 898 N ASP A 60 0.203 -0.724 10.331 1.00 0.00 N ATOM 899 CA ASP A 60 0.732 -1.347 9.123 1.00 0.00 C ATOM 900 C ASP A 60 0.581 -0.420 7.921 1.00 0.00 C ATOM 901 O ASP A 60 1.320 -0.530 6.943 1.00 0.00 O ATOM 902 CB ASP A 60 0.018 -2.673 8.854 1.00 0.00 C ATOM 903 CG ASP A 60 0.388 -3.745 9.859 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.092 -3.560 11.058 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.974 -4.768 9.448 1.00 0.00 O ATOM 0 H ASP A 60 -0.488 -1.286 10.828 1.00 0.00 H new ATOM 0 HA ASP A 60 1.794 -1.539 9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.060 -2.513 8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.266 -3.019 7.851 1.00 0.00 H new ATOM 910 N ILE A 61 -0.382 0.492 8.002 1.00 0.00 N ATOM 911 CA ILE A 61 -0.630 1.438 6.921 1.00 0.00 C ATOM 912 C ILE A 61 0.040 2.779 7.200 1.00 0.00 C ATOM 913 O ILE A 61 -0.025 3.299 8.313 1.00 0.00 O ATOM 914 CB ILE A 61 -2.138 1.666 6.707 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.843 0.336 6.432 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.370 2.641 5.562 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.351 0.420 6.524 1.00 0.00 C ATOM 0 H ILE A 61 -1.003 0.596 8.805 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.205 1.002 6.017 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.557 2.097 7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.567 -0.013 5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.485 -0.409 7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.441 2.791 5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.897 3.595 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.939 2.236 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.783 -0.559 6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.637 0.739 7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.720 1.141 5.795 1.00 0.00 H new ATOM 929 N LYS A 62 0.684 3.335 6.179 1.00 0.00 N ATOM 930 CA LYS A 62 1.365 4.618 6.311 1.00 0.00 C ATOM 931 C LYS A 62 0.952 5.570 5.194 1.00 0.00 C ATOM 932 O LYS A 62 0.340 5.158 4.208 1.00 0.00 O ATOM 933 CB LYS A 62 2.882 4.417 6.290 1.00 0.00 C ATOM 934 CG LYS A 62 3.414 3.671 7.501 1.00 0.00 C ATOM 935 CD LYS A 62 4.851 4.058 7.808 1.00 0.00 C ATOM 936 CE LYS A 62 5.817 3.468 6.791 1.00 0.00 C ATOM 937 NZ LYS A 62 5.851 4.263 5.533 1.00 0.00 N ATOM 0 H LYS A 62 0.749 2.917 5.251 1.00 0.00 H new ATOM 0 HA LYS A 62 1.076 5.059 7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.155 3.870 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.368 5.391 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.786 3.885 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.356 2.597 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.944 5.144 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.117 3.712 8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.817 3.427 7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.525 2.443 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.828 4.313 5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.248 3.808 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.501 5.224 5.720 1.00 0.00 H new ATOM 951 N SER A 63 1.291 6.846 5.354 1.00 0.00 N ATOM 952 CA SER A 63 0.953 7.857 4.360 1.00 0.00 C ATOM 953 C SER A 63 2.008 8.959 4.326 1.00 0.00 C ATOM 954 O SER A 63 2.550 9.347 5.360 1.00 0.00 O ATOM 955 CB SER A 63 -0.420 8.459 4.661 1.00 0.00 C ATOM 956 OG SER A 63 -0.345 9.399 5.719 1.00 0.00 O ATOM 0 H SER A 63 1.799 7.203 6.163 1.00 0.00 H new ATOM 0 HA SER A 63 0.924 7.375 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.812 8.944 3.767 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.119 7.665 4.925 1.00 0.00 H new ATOM 0 HG SER A 63 -1.236 9.770 5.890 1.00 0.00 H new