USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 16 ASN : amide:sc= 0.175 K(o=1.4,f=-6!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= -0.29 USER MOD Set 3.2: A 40 ASN : amide:sc= -1.07 K(o=-1.5,f=-2.2!) USER MOD Set 3.3: A 59 GLN : amide:sc= -0.173 K(o=-1.5,f=-2.7) USER MOD Single : A 9 MET CE :methyl -127:sc= -0.125 (180deg=-0.294) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.42! C(o=-2!,f=-1.4!) USER MOD Single : A 21 THR OG1 : rot 82:sc= -0.721 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc=-0.00128 (180deg=-0.00128) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 39 ASN : amide:sc= -0.86 K(o=-0.86,f=-1.9) USER MOD Single : A 52 ASN : amide:sc= -4.28! C(o=-4.3!,f=-11!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -23:sc= 0.927 USER MOD Single : A 68 GLN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -3.54 X(o=-3.5,f=-3.6) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -116:sc= -0.243 (180deg=-0.943) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0865 USER MOD ----------------------------------------------------------------- ATOM 129 N MET A 9 2.793 12.783 5.058 1.00 1.00 N ATOM 130 CA MET A 9 2.505 11.360 4.920 1.00 1.00 C ATOM 131 C MET A 9 2.614 10.931 3.460 1.00 1.00 C ATOM 132 O MET A 9 2.195 11.654 2.558 1.00 1.00 O ATOM 133 CB MET A 9 1.098 11.059 5.440 1.00 1.00 C ATOM 134 CG MET A 9 0.069 11.404 4.363 1.00 1.00 C ATOM 135 SD MET A 9 -1.560 11.608 5.126 1.00 1.00 S ATOM 136 CE MET A 9 -2.543 11.047 3.715 1.00 1.00 C ATOM 0 HA MET A 9 3.235 10.802 5.506 1.00 1.00 H new ATOM 0 HB2 MET A 9 1.017 10.006 5.711 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.902 11.637 6.343 1.00 1.00 H new ATOM 0 HG2 MET A 9 0.359 12.320 3.849 1.00 1.00 H new ATOM 0 HG3 MET A 9 0.034 10.615 3.612 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.294 11.799 3.473 1.00 1.00 H new ATOM 0 HE2 MET A 9 -1.891 10.896 2.855 1.00 1.00 H new ATOM 0 HE3 MET A 9 -3.037 10.108 3.966 1.00 1.00 H new ATOM 146 N ASP A 10 3.180 9.749 3.237 1.00 1.00 N ATOM 147 CA ASP A 10 3.340 9.234 1.883 1.00 1.00 C ATOM 148 C ASP A 10 3.772 7.772 1.912 1.00 1.00 C ATOM 149 O ASP A 10 4.660 7.362 1.165 1.00 1.00 O ATOM 150 CB ASP A 10 4.383 10.061 1.129 1.00 1.00 C ATOM 151 CG ASP A 10 5.740 9.934 1.813 1.00 1.00 C ATOM 152 OD1 ASP A 10 5.919 10.554 2.849 1.00 1.00 O ATOM 153 OD2 ASP A 10 6.580 9.220 1.292 1.00 1.00 O ATOM 0 H ASP A 10 3.533 9.134 3.971 1.00 1.00 H new ATOM 0 HA ASP A 10 2.380 9.307 1.372 1.00 1.00 H new ATOM 0 HB2 ASP A 10 4.453 9.719 0.096 1.00 1.00 H new ATOM 0 HB3 ASP A 10 4.078 11.107 1.099 1.00 1.00 H new ATOM 158 N THR A 11 3.141 6.991 2.782 1.00 1.00 N ATOM 159 CA THR A 11 3.469 5.576 2.901 1.00 1.00 C ATOM 160 C THR A 11 2.254 4.785 3.371 1.00 1.00 C ATOM 161 O THR A 11 1.632 5.122 4.378 1.00 1.00 O ATOM 162 CB THR A 11 4.617 5.391 3.897 1.00 1.00 C ATOM 163 OG1 THR A 11 5.650 6.322 3.603 1.00 1.00 O ATOM 164 CG2 THR A 11 5.169 3.967 3.795 1.00 1.00 C ATOM 0 H THR A 11 2.405 7.311 3.411 1.00 1.00 H new ATOM 0 HA THR A 11 3.773 5.206 1.922 1.00 1.00 H new ATOM 0 HB THR A 11 4.247 5.560 4.908 1.00 1.00 H new ATOM 0 HG1 THR A 11 6.386 6.206 4.240 1.00 1.00 H new ATOM 0 HG21 THR A 11 5.986 3.842 4.506 1.00 1.00 H new ATOM 0 HG22 THR A 11 4.377 3.253 4.022 1.00 1.00 H new ATOM 0 HG23 THR A 11 5.538 3.791 2.784 1.00 1.00 H new ATOM 172 N ILE A 12 1.927 3.727 2.636 1.00 1.00 N ATOM 173 CA ILE A 12 0.788 2.885 2.985 1.00 1.00 C ATOM 174 C ILE A 12 1.268 1.554 3.550 1.00 1.00 C ATOM 175 O ILE A 12 2.112 0.884 2.954 1.00 1.00 O ATOM 176 CB ILE A 12 -0.075 2.634 1.747 1.00 1.00 C ATOM 177 CG1 ILE A 12 0.783 2.786 0.488 1.00 1.00 C ATOM 178 CG2 ILE A 12 -1.219 3.649 1.708 1.00 1.00 C ATOM 179 CD1 ILE A 12 0.033 2.208 -0.713 1.00 1.00 C ATOM 0 H ILE A 12 2.431 3.433 1.799 1.00 1.00 H new ATOM 0 HA ILE A 12 0.195 3.399 3.741 1.00 1.00 H new ATOM 0 HB ILE A 12 -0.485 1.625 1.789 1.00 1.00 H new ATOM 0 HG12 ILE A 12 1.012 3.838 0.316 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.734 2.270 0.619 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.834 3.470 0.826 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -1.830 3.543 2.604 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.809 4.658 1.666 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.643 2.316 -1.610 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.173 1.152 -0.539 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.907 2.744 -0.847 1.00 1.00 H new ATOM 191 N ILE A 13 0.727 1.178 4.705 1.00 1.00 N ATOM 192 CA ILE A 13 1.111 -0.077 5.343 1.00 1.00 C ATOM 193 C ILE A 13 0.041 -1.142 5.121 1.00 1.00 C ATOM 194 O ILE A 13 -1.152 -0.841 5.091 1.00 1.00 O ATOM 195 CB ILE A 13 1.334 0.144 6.846 1.00 1.00 C ATOM 196 CG1 ILE A 13 2.449 -0.784 7.335 1.00 1.00 C ATOM 197 CG2 ILE A 13 0.051 -0.153 7.630 1.00 1.00 C ATOM 198 CD1 ILE A 13 2.560 -0.693 8.858 1.00 1.00 C ATOM 0 H ILE A 13 0.028 1.718 5.214 1.00 1.00 H new ATOM 0 HA ILE A 13 2.041 -0.424 4.893 1.00 1.00 H new ATOM 0 HB ILE A 13 1.614 1.185 7.009 1.00 1.00 H new ATOM 0 HG12 ILE A 13 2.239 -1.811 7.036 1.00 1.00 H new ATOM 0 HG13 ILE A 13 3.396 -0.505 6.874 1.00 1.00 H new ATOM 0 HG21 ILE A 13 0.228 0.009 8.693 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -0.745 0.510 7.290 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -0.244 -1.189 7.465 1.00 1.00 H new ATOM 0 HD11 ILE A 13 3.354 -1.354 9.205 1.00 1.00 H new ATOM 0 HD12 ILE A 13 2.790 0.333 9.145 1.00 1.00 H new ATOM 0 HD13 ILE A 13 1.615 -0.993 9.310 1.00 1.00 H new ATOM 210 N LEU A 14 0.479 -2.386 4.964 1.00 1.00 N ATOM 211 CA LEU A 14 -0.448 -3.489 4.743 1.00 1.00 C ATOM 212 C LEU A 14 -0.645 -4.285 6.029 1.00 1.00 C ATOM 213 O LEU A 14 0.287 -4.446 6.817 1.00 1.00 O ATOM 214 CB LEU A 14 0.086 -4.411 3.645 1.00 1.00 C ATOM 215 CG LEU A 14 0.632 -3.571 2.489 1.00 1.00 C ATOM 216 CD1 LEU A 14 1.125 -4.498 1.375 1.00 1.00 C ATOM 217 CD2 LEU A 14 -0.479 -2.670 1.945 1.00 1.00 C ATOM 0 H LEU A 14 1.463 -2.655 4.985 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.408 -3.076 4.432 1.00 1.00 H new ATOM 0 HB2 LEU A 14 0.872 -5.052 4.045 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.709 -5.066 3.288 1.00 1.00 H new ATOM 0 HG LEU A 14 1.459 -2.956 2.845 1.00 1.00 H new ATOM 0 HD11 LEU A 14 1.514 -3.901 0.550 1.00 1.00 H new ATOM 0 HD12 LEU A 14 1.915 -5.143 1.761 1.00 1.00 H new ATOM 0 HD13 LEU A 14 0.297 -5.112 1.019 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -0.091 -2.071 1.121 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -1.305 -3.286 1.589 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.834 -2.011 2.737 1.00 1.00 H new ATOM 229 N ARG A 15 -1.864 -4.777 6.229 1.00 1.00 N ATOM 230 CA ARG A 15 -2.185 -5.553 7.422 1.00 1.00 C ATOM 231 C ARG A 15 -2.794 -6.894 7.032 1.00 1.00 C ATOM 232 O ARG A 15 -3.478 -6.999 6.017 1.00 1.00 O ATOM 233 CB ARG A 15 -3.165 -4.763 8.298 1.00 1.00 C ATOM 234 CG ARG A 15 -4.016 -5.712 9.147 1.00 1.00 C ATOM 235 CD ARG A 15 -4.668 -4.925 10.288 1.00 1.00 C ATOM 236 NE ARG A 15 -3.839 -4.996 11.485 1.00 1.00 N ATOM 237 CZ ARG A 15 -4.053 -4.192 12.522 1.00 1.00 C ATOM 238 NH1 ARG A 15 -5.028 -3.326 12.484 1.00 1.00 N ATOM 239 NH2 ARG A 15 -3.290 -4.271 13.578 1.00 1.00 N ATOM 0 H ARG A 15 -2.643 -4.653 5.583 1.00 1.00 H new ATOM 0 HA ARG A 15 -1.270 -5.740 7.984 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -2.614 -4.082 8.946 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.811 -4.151 7.669 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -4.782 -6.182 8.530 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -3.396 -6.513 9.550 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -4.803 -3.885 9.991 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -5.659 -5.328 10.498 1.00 1.00 H new ATOM 0 HE ARG A 15 -3.080 -5.676 11.528 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -5.625 -3.266 11.659 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -5.193 -2.709 13.279 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -2.529 -4.950 13.608 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.455 -3.654 14.373 1.00 1.00 H new ATOM 253 N ASN A 16 -2.537 -7.911 7.852 1.00 1.00 N ATOM 254 CA ASN A 16 -3.059 -9.253 7.609 1.00 1.00 C ATOM 255 C ASN A 16 -2.316 -9.933 6.462 1.00 1.00 C ATOM 256 O ASN A 16 -2.931 -10.409 5.508 1.00 1.00 O ATOM 257 CB ASN A 16 -4.550 -9.180 7.288 1.00 1.00 C ATOM 258 CG ASN A 16 -5.221 -10.520 7.570 1.00 1.00 C ATOM 259 OD1 ASN A 16 -4.790 -11.264 8.451 1.00 1.00 O ATOM 260 ND2 ASN A 16 -6.265 -10.870 6.869 1.00 1.00 N ATOM 0 H ASN A 16 -1.968 -7.830 8.694 1.00 1.00 H new ATOM 0 HA ASN A 16 -2.909 -9.845 8.512 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -5.019 -8.398 7.885 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -4.690 -8.909 6.242 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -6.726 -11.762 7.051 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -6.620 -10.252 6.140 1.00 1.00 H new ATOM 267 N ILE A 17 -0.992 -9.986 6.565 1.00 1.00 N ATOM 268 CA ILE A 17 -0.178 -10.620 5.533 1.00 1.00 C ATOM 269 C ILE A 17 0.081 -12.082 5.888 1.00 1.00 C ATOM 270 O ILE A 17 0.707 -12.382 6.903 1.00 1.00 O ATOM 271 CB ILE A 17 1.160 -9.885 5.392 1.00 1.00 C ATOM 272 CG1 ILE A 17 0.915 -8.388 5.151 1.00 1.00 C ATOM 273 CG2 ILE A 17 1.957 -10.472 4.225 1.00 1.00 C ATOM 274 CD1 ILE A 17 -0.011 -8.180 3.948 1.00 1.00 C ATOM 0 H ILE A 17 -0.462 -9.601 7.347 1.00 1.00 H new ATOM 0 HA ILE A 17 -0.718 -10.571 4.588 1.00 1.00 H new ATOM 0 HB ILE A 17 1.729 -10.009 6.313 1.00 1.00 H new ATOM 0 HG12 ILE A 17 0.472 -7.939 6.040 1.00 1.00 H new ATOM 0 HG13 ILE A 17 1.865 -7.882 4.978 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.906 -9.945 4.131 1.00 1.00 H new ATOM 0 HG22 ILE A 17 2.146 -11.530 4.409 1.00 1.00 H new ATOM 0 HG23 ILE A 17 1.387 -10.360 3.303 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -0.173 -7.113 3.793 1.00 1.00 H new ATOM 0 HD12 ILE A 17 0.447 -8.610 3.058 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -0.967 -8.668 4.136 1.00 1.00 H new ATOM 286 N ALA A 18 -0.403 -12.987 5.044 1.00 1.00 N ATOM 287 CA ALA A 18 -0.213 -14.415 5.283 1.00 1.00 C ATOM 288 C ALA A 18 1.267 -14.783 5.183 1.00 1.00 C ATOM 289 O ALA A 18 2.066 -14.028 4.629 1.00 1.00 O ATOM 290 CB ALA A 18 -1.011 -15.226 4.259 1.00 1.00 C ATOM 0 H ALA A 18 -0.924 -12.762 4.197 1.00 1.00 H new ATOM 0 HA ALA A 18 -0.567 -14.647 6.287 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.864 -16.290 4.444 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -2.070 -14.985 4.349 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.668 -14.981 3.254 1.00 1.00 H new ATOM 296 N PRO A 19 1.643 -15.923 5.706 1.00 1.00 N ATOM 297 CA PRO A 19 3.059 -16.397 5.672 1.00 1.00 C ATOM 298 C PRO A 19 3.495 -16.807 4.267 1.00 1.00 C ATOM 299 O PRO A 19 4.632 -17.229 4.061 1.00 1.00 O ATOM 300 CB PRO A 19 3.062 -17.603 6.613 1.00 1.00 C ATOM 301 CG PRO A 19 1.656 -18.102 6.621 1.00 1.00 C ATOM 302 CD PRO A 19 0.761 -16.887 6.386 1.00 1.00 C ATOM 0 HA PRO A 19 3.757 -15.615 5.970 1.00 1.00 H new ATOM 0 HB2 PRO A 19 3.750 -18.373 6.263 1.00 1.00 H new ATOM 0 HB3 PRO A 19 3.384 -17.319 7.615 1.00 1.00 H new ATOM 0 HG2 PRO A 19 1.506 -18.850 5.843 1.00 1.00 H new ATOM 0 HG3 PRO A 19 1.420 -18.579 7.572 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -0.103 -17.140 5.772 1.00 1.00 H new ATOM 0 HD3 PRO A 19 0.378 -16.485 7.324 1.00 1.00 H new ATOM 310 N HIS A 20 2.582 -16.685 3.307 1.00 1.00 N ATOM 311 CA HIS A 20 2.881 -17.053 1.925 1.00 1.00 C ATOM 312 C HIS A 20 2.998 -15.811 1.046 1.00 1.00 C ATOM 313 O HIS A 20 2.843 -15.889 -0.172 1.00 1.00 O ATOM 314 CB HIS A 20 1.773 -17.954 1.379 1.00 1.00 C ATOM 315 CG HIS A 20 2.141 -18.415 -0.004 1.00 1.00 C ATOM 316 ND1 HIS A 20 1.684 -18.048 -1.245 1.00 1.00 N flip ATOM 317 CD2 HIS A 20 3.111 -19.379 -0.227 1.00 1.00 C flip ATOM 318 CE1 HIS A 20 2.358 -18.773 -2.225 1.00 1.00 C flip ATOM 319 NE2 HIS A 20 3.207 -19.560 -1.557 1.00 1.00 N flip ATOM 0 H HIS A 20 1.635 -16.337 3.458 1.00 1.00 H new ATOM 0 HA HIS A 20 3.832 -17.585 1.911 1.00 1.00 H new ATOM 0 HB2 HIS A 20 1.631 -18.813 2.035 1.00 1.00 H new ATOM 0 HB3 HIS A 20 0.828 -17.412 1.354 1.00 1.00 H new ATOM 0 HD2 HIS A 20 3.686 -19.892 0.530 1.00 1.00 H new ATOM 0 HE1 HIS A 20 2.223 -18.712 -3.295 1.00 1.00 H new ATOM 0 HE2 HIS A 20 3.849 -20.217 -2.001 1.00 1.00 H new ATOM 327 N THR A 21 3.268 -14.671 1.669 1.00 1.00 N ATOM 328 CA THR A 21 3.400 -13.422 0.926 1.00 1.00 C ATOM 329 C THR A 21 4.829 -13.233 0.429 1.00 1.00 C ATOM 330 O THR A 21 5.788 -13.449 1.170 1.00 1.00 O ATOM 331 CB THR A 21 3.001 -12.244 1.816 1.00 1.00 C ATOM 332 OG1 THR A 21 1.672 -12.436 2.277 1.00 1.00 O ATOM 333 CG2 THR A 21 3.085 -10.944 1.014 1.00 1.00 C ATOM 0 H THR A 21 3.399 -14.584 2.677 1.00 1.00 H new ATOM 0 HA THR A 21 2.738 -13.465 0.061 1.00 1.00 H new ATOM 0 HB THR A 21 3.678 -12.183 2.668 1.00 1.00 H new ATOM 0 HG1 THR A 21 1.677 -13.044 3.045 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.800 -10.105 1.649 1.00 1.00 H new ATOM 0 HG22 THR A 21 4.106 -10.801 0.659 1.00 1.00 H new ATOM 0 HG23 THR A 21 2.409 -10.999 0.161 1.00 1.00 H new ATOM 341 N VAL A 22 4.959 -12.825 -0.829 1.00 1.00 N ATOM 342 CA VAL A 22 6.275 -12.604 -1.422 1.00 1.00 C ATOM 343 C VAL A 22 6.292 -11.292 -2.201 1.00 1.00 C ATOM 344 O VAL A 22 5.293 -10.908 -2.809 1.00 1.00 O ATOM 345 CB VAL A 22 6.626 -13.762 -2.357 1.00 1.00 C ATOM 346 CG1 VAL A 22 7.552 -14.740 -1.633 1.00 1.00 C ATOM 347 CG2 VAL A 22 5.346 -14.487 -2.773 1.00 1.00 C ATOM 0 H VAL A 22 4.175 -12.641 -1.455 1.00 1.00 H new ATOM 0 HA VAL A 22 7.013 -12.549 -0.622 1.00 1.00 H new ATOM 0 HB VAL A 22 7.129 -13.373 -3.243 1.00 1.00 H new ATOM 0 HG11 VAL A 22 7.802 -15.565 -2.299 1.00 1.00 H new ATOM 0 HG12 VAL A 22 8.465 -14.224 -1.336 1.00 1.00 H new ATOM 0 HG13 VAL A 22 7.050 -15.129 -0.747 1.00 1.00 H new ATOM 0 HG21 VAL A 22 5.596 -15.313 -3.440 1.00 1.00 H new ATOM 0 HG22 VAL A 22 4.843 -14.875 -1.887 1.00 1.00 H new ATOM 0 HG23 VAL A 22 4.685 -13.791 -3.289 1.00 1.00 H new ATOM 357 N VAL A 23 7.432 -10.611 -2.177 1.00 1.00 N ATOM 358 CA VAL A 23 7.566 -9.341 -2.885 1.00 1.00 C ATOM 359 C VAL A 23 7.278 -9.523 -4.372 1.00 1.00 C ATOM 360 O VAL A 23 6.946 -8.564 -5.070 1.00 1.00 O ATOM 361 CB VAL A 23 8.979 -8.790 -2.702 1.00 1.00 C ATOM 362 CG1 VAL A 23 9.084 -7.420 -3.374 1.00 1.00 C ATOM 363 CG2 VAL A 23 9.281 -8.648 -1.207 1.00 1.00 C ATOM 0 H VAL A 23 8.270 -10.912 -1.680 1.00 1.00 H new ATOM 0 HA VAL A 23 6.844 -8.637 -2.470 1.00 1.00 H new ATOM 0 HB VAL A 23 9.697 -9.473 -3.156 1.00 1.00 H new ATOM 0 HG11 VAL A 23 10.092 -7.027 -3.243 1.00 1.00 H new ATOM 0 HG12 VAL A 23 8.868 -7.519 -4.438 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.366 -6.736 -2.920 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.289 -8.255 -1.075 1.00 1.00 H new ATOM 0 HG22 VAL A 23 8.563 -7.964 -0.754 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.206 -9.623 -0.726 1.00 1.00 H new ATOM 373 N ASP A 24 7.405 -10.755 -4.850 1.00 1.00 N ATOM 374 CA ASP A 24 7.157 -11.051 -6.257 1.00 1.00 C ATOM 375 C ASP A 24 5.686 -10.839 -6.601 1.00 1.00 C ATOM 376 O ASP A 24 5.359 -10.205 -7.604 1.00 1.00 O ATOM 377 CB ASP A 24 7.553 -12.496 -6.563 1.00 1.00 C ATOM 378 CG ASP A 24 8.377 -12.551 -7.845 1.00 1.00 C ATOM 379 OD1 ASP A 24 8.017 -11.862 -8.786 1.00 1.00 O ATOM 380 OD2 ASP A 24 9.355 -13.279 -7.867 1.00 1.00 O ATOM 0 H ASP A 24 7.677 -11.562 -4.288 1.00 1.00 H new ATOM 0 HA ASP A 24 7.759 -10.373 -6.862 1.00 1.00 H new ATOM 0 HB2 ASP A 24 8.128 -12.908 -5.733 1.00 1.00 H new ATOM 0 HB3 ASP A 24 6.660 -13.112 -6.668 1.00 1.00 H new ATOM 385 N SER A 25 4.804 -11.379 -5.766 1.00 1.00 N ATOM 386 CA SER A 25 3.369 -11.245 -5.996 1.00 1.00 C ATOM 387 C SER A 25 2.921 -9.803 -5.782 1.00 1.00 C ATOM 388 O SER A 25 2.117 -9.272 -6.549 1.00 1.00 O ATOM 389 CB SER A 25 2.602 -12.166 -5.048 1.00 1.00 C ATOM 390 OG SER A 25 2.551 -13.473 -5.603 1.00 1.00 O ATOM 0 H SER A 25 5.054 -11.909 -4.931 1.00 1.00 H new ATOM 0 HA SER A 25 3.158 -11.527 -7.028 1.00 1.00 H new ATOM 0 HB2 SER A 25 3.089 -12.191 -4.073 1.00 1.00 H new ATOM 0 HB3 SER A 25 1.593 -11.786 -4.890 1.00 1.00 H new ATOM 0 HG SER A 25 2.061 -14.067 -4.997 1.00 1.00 H new ATOM 396 N ILE A 26 3.443 -9.175 -4.733 1.00 1.00 N ATOM 397 CA ILE A 26 3.086 -7.795 -4.427 1.00 1.00 C ATOM 398 C ILE A 26 3.447 -6.873 -5.588 1.00 1.00 C ATOM 399 O ILE A 26 2.853 -5.808 -5.757 1.00 1.00 O ATOM 400 CB ILE A 26 3.816 -7.335 -3.164 1.00 1.00 C ATOM 401 CG1 ILE A 26 3.321 -8.147 -1.958 1.00 1.00 C ATOM 402 CG2 ILE A 26 3.555 -5.843 -2.933 1.00 1.00 C ATOM 403 CD1 ILE A 26 2.107 -7.464 -1.317 1.00 1.00 C ATOM 0 H ILE A 26 4.109 -9.596 -4.085 1.00 1.00 H new ATOM 0 HA ILE A 26 2.009 -7.748 -4.264 1.00 1.00 H new ATOM 0 HB ILE A 26 4.887 -7.494 -3.286 1.00 1.00 H new ATOM 0 HG12 ILE A 26 3.054 -9.155 -2.275 1.00 1.00 H new ATOM 0 HG13 ILE A 26 4.121 -8.245 -1.224 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.076 -5.518 -2.033 1.00 1.00 H new ATOM 0 HG22 ILE A 26 3.918 -5.273 -3.788 1.00 1.00 H new ATOM 0 HG23 ILE A 26 2.485 -5.675 -2.813 1.00 1.00 H new ATOM 0 HD11 ILE A 26 1.768 -8.051 -0.464 1.00 1.00 H new ATOM 0 HD12 ILE A 26 2.386 -6.465 -0.982 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.303 -7.389 -2.049 1.00 1.00 H new ATOM 415 N MET A 27 4.426 -7.289 -6.385 1.00 1.00 N ATOM 416 CA MET A 27 4.860 -6.491 -7.526 1.00 1.00 C ATOM 417 C MET A 27 3.846 -6.577 -8.663 1.00 1.00 C ATOM 418 O MET A 27 3.293 -5.564 -9.094 1.00 1.00 O ATOM 419 CB MET A 27 6.222 -6.983 -8.021 1.00 1.00 C ATOM 420 CG MET A 27 7.335 -6.339 -7.190 1.00 1.00 C ATOM 421 SD MET A 27 7.888 -4.818 -8.002 1.00 1.00 S ATOM 422 CE MET A 27 9.539 -4.756 -7.265 1.00 1.00 C ATOM 0 H MET A 27 4.930 -8.167 -6.263 1.00 1.00 H new ATOM 0 HA MET A 27 4.941 -5.453 -7.205 1.00 1.00 H new ATOM 0 HB2 MET A 27 6.278 -8.069 -7.943 1.00 1.00 H new ATOM 0 HB3 MET A 27 6.349 -6.732 -9.074 1.00 1.00 H new ATOM 0 HG2 MET A 27 6.973 -6.117 -6.186 1.00 1.00 H new ATOM 0 HG3 MET A 27 8.170 -7.031 -7.082 1.00 1.00 H new ATOM 0 HE1 MET A 27 10.069 -3.878 -7.634 1.00 1.00 H new ATOM 0 HE2 MET A 27 9.451 -4.698 -6.180 1.00 1.00 H new ATOM 0 HE3 MET A 27 10.093 -5.655 -7.536 1.00 1.00 H new ATOM 432 N THR A 28 3.612 -7.792 -9.146 1.00 1.00 N ATOM 433 CA THR A 28 2.667 -8.002 -10.237 1.00 1.00 C ATOM 434 C THR A 28 1.237 -7.704 -9.789 1.00 1.00 C ATOM 435 O THR A 28 0.373 -7.397 -10.608 1.00 1.00 O ATOM 436 CB THR A 28 2.754 -9.448 -10.730 1.00 1.00 C ATOM 437 OG1 THR A 28 4.109 -9.879 -10.689 1.00 1.00 O ATOM 438 CG2 THR A 28 2.233 -9.535 -12.165 1.00 1.00 C ATOM 0 H THR A 28 4.060 -8.641 -8.802 1.00 1.00 H new ATOM 0 HA THR A 28 2.927 -7.320 -11.046 1.00 1.00 H new ATOM 0 HB THR A 28 2.148 -10.087 -10.088 1.00 1.00 H new ATOM 0 HG1 THR A 28 4.167 -10.806 -11.003 1.00 1.00 H new ATOM 0 HG21 THR A 28 2.296 -10.566 -12.513 1.00 1.00 H new ATOM 0 HG22 THR A 28 1.195 -9.205 -12.196 1.00 1.00 H new ATOM 0 HG23 THR A 28 2.836 -8.896 -12.810 1.00 1.00 H new ATOM 446 N ALA A 29 0.996 -7.806 -8.486 1.00 1.00 N ATOM 447 CA ALA A 29 -0.336 -7.554 -7.944 1.00 1.00 C ATOM 448 C ALA A 29 -0.653 -6.061 -7.933 1.00 1.00 C ATOM 449 O ALA A 29 -1.804 -5.662 -8.116 1.00 1.00 O ATOM 450 CB ALA A 29 -0.431 -8.106 -6.520 1.00 1.00 C ATOM 0 H ALA A 29 1.698 -8.059 -7.791 1.00 1.00 H new ATOM 0 HA ALA A 29 -1.062 -8.056 -8.584 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -1.427 -7.915 -6.121 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -0.245 -9.180 -6.533 1.00 1.00 H new ATOM 0 HB3 ALA A 29 0.312 -7.617 -5.890 1.00 1.00 H new ATOM 456 N LEU A 30 0.367 -5.241 -7.709 1.00 1.00 N ATOM 457 CA LEU A 30 0.177 -3.792 -7.666 1.00 1.00 C ATOM 458 C LEU A 30 0.638 -3.138 -8.967 1.00 1.00 C ATOM 459 O LEU A 30 0.695 -1.912 -9.069 1.00 1.00 O ATOM 460 CB LEU A 30 0.959 -3.198 -6.490 1.00 1.00 C ATOM 461 CG LEU A 30 0.253 -3.538 -5.170 1.00 1.00 C ATOM 462 CD1 LEU A 30 1.151 -3.138 -3.998 1.00 1.00 C ATOM 463 CD2 LEU A 30 -1.079 -2.780 -5.063 1.00 1.00 C ATOM 0 H LEU A 30 1.327 -5.549 -7.555 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.887 -3.594 -7.538 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.975 -3.592 -6.481 1.00 1.00 H new ATOM 0 HB3 LEU A 30 1.037 -2.117 -6.603 1.00 1.00 H new ATOM 0 HG LEU A 30 0.056 -4.610 -5.144 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.652 -3.378 -3.059 1.00 1.00 H new ATOM 0 HD12 LEU A 30 2.093 -3.683 -4.059 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.349 -2.067 -4.040 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -1.567 -3.032 -4.121 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -0.891 -1.707 -5.098 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -1.726 -3.062 -5.894 1.00 1.00 H new ATOM 475 N SER A 31 0.975 -3.960 -9.955 1.00 1.00 N ATOM 476 CA SER A 31 1.439 -3.448 -11.240 1.00 1.00 C ATOM 477 C SER A 31 0.367 -2.597 -11.927 1.00 1.00 C ATOM 478 O SER A 31 0.634 -1.459 -12.311 1.00 1.00 O ATOM 479 CB SER A 31 1.845 -4.605 -12.154 1.00 1.00 C ATOM 480 OG SER A 31 3.252 -4.577 -12.349 1.00 1.00 O ATOM 0 H SER A 31 0.936 -4.977 -9.892 1.00 1.00 H new ATOM 0 HA SER A 31 2.305 -2.813 -11.050 1.00 1.00 H new ATOM 0 HB2 SER A 31 1.546 -5.555 -11.712 1.00 1.00 H new ATOM 0 HB3 SER A 31 1.332 -4.524 -13.112 1.00 1.00 H new ATOM 0 HG SER A 31 3.516 -5.318 -12.933 1.00 1.00 H new ATOM 486 N PRO A 32 -0.827 -3.114 -12.099 1.00 1.00 N ATOM 487 CA PRO A 32 -1.927 -2.360 -12.766 1.00 1.00 C ATOM 488 C PRO A 32 -2.553 -1.319 -11.843 1.00 1.00 C ATOM 489 O PRO A 32 -3.411 -0.540 -12.261 1.00 1.00 O ATOM 490 CB PRO A 32 -2.937 -3.446 -13.130 1.00 1.00 C ATOM 491 CG PRO A 32 -2.731 -4.532 -12.127 1.00 1.00 C ATOM 492 CD PRO A 32 -1.267 -4.460 -11.683 1.00 1.00 C ATOM 0 HA PRO A 32 -1.573 -1.794 -13.628 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -3.957 -3.063 -13.090 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -2.773 -3.811 -14.144 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -3.399 -4.402 -11.276 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -2.955 -5.506 -12.562 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.171 -4.595 -10.606 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.669 -5.238 -12.157 1.00 1.00 H new ATOM 500 N TYR A 33 -2.118 -1.313 -10.589 1.00 1.00 N ATOM 501 CA TYR A 33 -2.644 -0.363 -9.616 1.00 1.00 C ATOM 502 C TYR A 33 -1.688 0.815 -9.439 1.00 1.00 C ATOM 503 O TYR A 33 -2.110 1.919 -9.094 1.00 1.00 O ATOM 504 CB TYR A 33 -2.860 -1.058 -8.271 1.00 1.00 C ATOM 505 CG TYR A 33 -3.970 -2.071 -8.406 1.00 1.00 C ATOM 506 CD1 TYR A 33 -3.683 -3.380 -8.810 1.00 1.00 C ATOM 507 CD2 TYR A 33 -5.290 -1.699 -8.129 1.00 1.00 C ATOM 508 CE1 TYR A 33 -4.715 -4.317 -8.937 1.00 1.00 C ATOM 509 CE2 TYR A 33 -6.324 -2.635 -8.255 1.00 1.00 C ATOM 510 CZ TYR A 33 -6.036 -3.945 -8.659 1.00 1.00 C ATOM 511 OH TYR A 33 -7.054 -4.868 -8.783 1.00 1.00 O ATOM 0 H TYR A 33 -1.409 -1.949 -10.224 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.597 0.014 -9.986 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -1.941 -1.549 -7.951 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.113 -0.324 -7.506 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -2.664 -3.667 -9.024 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -5.512 -0.689 -7.818 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.492 -5.327 -9.249 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -7.343 -2.347 -8.041 1.00 1.00 H new ATOM 0 HH TYR A 33 -7.908 -4.446 -8.552 1.00 1.00 H new ATOM 521 N ALA A 34 -0.402 0.575 -9.679 1.00 1.00 N ATOM 522 CA ALA A 34 0.597 1.626 -9.545 1.00 1.00 C ATOM 523 C ALA A 34 2.001 1.062 -9.740 1.00 1.00 C ATOM 524 O ALA A 34 2.167 -0.127 -10.013 1.00 1.00 O ATOM 525 CB ALA A 34 0.493 2.272 -8.163 1.00 1.00 C ATOM 0 H ALA A 34 -0.031 -0.331 -9.965 1.00 1.00 H new ATOM 0 HA ALA A 34 0.410 2.377 -10.313 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.244 3.057 -8.071 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.500 2.703 -8.037 1.00 1.00 H new ATOM 0 HB3 ALA A 34 0.661 1.517 -7.395 1.00 1.00 H new ATOM 531 N SER A 35 3.003 1.925 -9.598 1.00 1.00 N ATOM 532 CA SER A 35 4.394 1.512 -9.758 1.00 1.00 C ATOM 533 C SER A 35 5.142 1.641 -8.435 1.00 1.00 C ATOM 534 O SER A 35 5.065 2.673 -7.769 1.00 1.00 O ATOM 535 CB SER A 35 5.076 2.377 -10.817 1.00 1.00 C ATOM 536 OG SER A 35 4.228 3.470 -11.147 1.00 1.00 O ATOM 0 H SER A 35 2.878 2.912 -9.373 1.00 1.00 H new ATOM 0 HA SER A 35 4.412 0.469 -10.075 1.00 1.00 H new ATOM 0 HB2 SER A 35 6.032 2.743 -10.443 1.00 1.00 H new ATOM 0 HB3 SER A 35 5.287 1.784 -11.707 1.00 1.00 H new ATOM 0 HG SER A 35 4.663 4.028 -11.825 1.00 1.00 H new ATOM 542 N LEU A 36 5.863 0.586 -8.065 1.00 1.00 N ATOM 543 CA LEU A 36 6.624 0.585 -6.819 1.00 1.00 C ATOM 544 C LEU A 36 8.121 0.557 -7.110 1.00 1.00 C ATOM 545 O LEU A 36 8.537 0.561 -8.268 1.00 1.00 O ATOM 546 CB LEU A 36 6.243 -0.628 -5.966 1.00 1.00 C ATOM 547 CG LEU A 36 5.435 -1.625 -6.802 1.00 1.00 C ATOM 548 CD1 LEU A 36 5.328 -2.951 -6.048 1.00 1.00 C ATOM 549 CD2 LEU A 36 4.026 -1.076 -7.047 1.00 1.00 C ATOM 0 H LEU A 36 5.936 -0.275 -8.607 1.00 1.00 H new ATOM 0 HA LEU A 36 6.386 1.497 -6.271 1.00 1.00 H new ATOM 0 HB2 LEU A 36 7.142 -1.109 -5.581 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.659 -0.307 -5.103 1.00 1.00 H new ATOM 0 HG LEU A 36 5.937 -1.779 -7.757 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.753 -3.662 -6.642 1.00 1.00 H new ATOM 0 HD12 LEU A 36 6.327 -3.350 -5.871 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.828 -2.787 -5.093 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.456 -1.789 -7.642 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.526 -0.919 -6.092 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.093 -0.129 -7.582 1.00 1.00 H new ATOM 561 N ALA A 37 8.924 0.528 -6.051 1.00 1.00 N ATOM 562 CA ALA A 37 10.373 0.499 -6.208 1.00 1.00 C ATOM 563 C ALA A 37 11.011 -0.347 -5.108 1.00 1.00 C ATOM 564 O ALA A 37 10.735 -0.152 -3.924 1.00 1.00 O ATOM 565 CB ALA A 37 10.933 1.925 -6.167 1.00 1.00 C ATOM 0 H ALA A 37 8.600 0.524 -5.084 1.00 1.00 H new ATOM 0 HA ALA A 37 10.611 0.051 -7.173 1.00 1.00 H new ATOM 0 HB1 ALA A 37 12.016 1.894 -6.285 1.00 1.00 H new ATOM 0 HB2 ALA A 37 10.496 2.511 -6.976 1.00 1.00 H new ATOM 0 HB3 ALA A 37 10.685 2.386 -5.211 1.00 1.00 H new ATOM 571 N VAL A 38 11.857 -1.290 -5.509 1.00 1.00 N ATOM 572 CA VAL A 38 12.525 -2.170 -4.555 1.00 1.00 C ATOM 573 C VAL A 38 13.163 -1.374 -3.416 1.00 1.00 C ATOM 574 O VAL A 38 13.147 -1.804 -2.264 1.00 1.00 O ATOM 575 CB VAL A 38 13.603 -2.983 -5.271 1.00 1.00 C ATOM 576 CG1 VAL A 38 14.070 -4.126 -4.367 1.00 1.00 C ATOM 577 CG2 VAL A 38 13.027 -3.564 -6.565 1.00 1.00 C ATOM 0 H VAL A 38 12.096 -1.465 -6.485 1.00 1.00 H new ATOM 0 HA VAL A 38 11.775 -2.837 -4.130 1.00 1.00 H new ATOM 0 HB VAL A 38 14.448 -2.336 -5.504 1.00 1.00 H new ATOM 0 HG11 VAL A 38 14.839 -4.704 -4.880 1.00 1.00 H new ATOM 0 HG12 VAL A 38 14.480 -3.716 -3.444 1.00 1.00 H new ATOM 0 HG13 VAL A 38 13.225 -4.773 -4.133 1.00 1.00 H new ATOM 0 HG21 VAL A 38 13.795 -4.144 -7.077 1.00 1.00 H new ATOM 0 HG22 VAL A 38 12.181 -4.210 -6.329 1.00 1.00 H new ATOM 0 HG23 VAL A 38 12.694 -2.752 -7.212 1.00 1.00 H new ATOM 587 N ASN A 39 13.736 -0.221 -3.750 1.00 1.00 N ATOM 588 CA ASN A 39 14.394 0.615 -2.749 1.00 1.00 C ATOM 589 C ASN A 39 13.386 1.472 -1.983 1.00 1.00 C ATOM 590 O ASN A 39 13.772 2.292 -1.151 1.00 1.00 O ATOM 591 CB ASN A 39 15.418 1.524 -3.429 1.00 1.00 C ATOM 592 CG ASN A 39 16.118 2.392 -2.389 1.00 1.00 C ATOM 593 OD1 ASN A 39 16.393 1.933 -1.280 1.00 1.00 O ATOM 594 ND2 ASN A 39 16.431 3.623 -2.685 1.00 1.00 N ATOM 0 H ASN A 39 13.759 0.154 -4.698 1.00 1.00 H new ATOM 0 HA ASN A 39 14.892 -0.044 -2.038 1.00 1.00 H new ATOM 0 HB2 ASN A 39 16.152 0.922 -3.965 1.00 1.00 H new ATOM 0 HB3 ASN A 39 14.923 2.155 -4.167 1.00 1.00 H new ATOM 0 HD21 ASN A 39 16.905 4.208 -1.997 1.00 1.00 H new ATOM 0 HD22 ASN A 39 16.202 4.000 -3.604 1.00 1.00 H new ATOM 601 N ASN A 40 12.101 1.284 -2.273 1.00 1.00 N ATOM 602 CA ASN A 40 11.049 2.053 -1.605 1.00 1.00 C ATOM 603 C ASN A 40 10.125 1.134 -0.805 1.00 1.00 C ATOM 604 O ASN A 40 9.159 1.596 -0.197 1.00 1.00 O ATOM 605 CB ASN A 40 10.223 2.822 -2.647 1.00 1.00 C ATOM 606 CG ASN A 40 10.000 4.276 -2.231 1.00 1.00 C ATOM 607 OD1 ASN A 40 10.286 4.665 -1.100 1.00 1.00 O ATOM 608 ND2 ASN A 40 9.486 5.106 -3.099 1.00 1.00 N ATOM 0 H ASN A 40 11.762 0.611 -2.961 1.00 1.00 H new ATOM 0 HA ASN A 40 11.524 2.755 -0.919 1.00 1.00 H new ATOM 0 HB2 ASN A 40 10.734 2.793 -3.610 1.00 1.00 H new ATOM 0 HB3 ASN A 40 9.260 2.330 -2.782 1.00 1.00 H new ATOM 0 HD21 ASN A 40 9.321 6.078 -2.839 1.00 1.00 H new ATOM 0 HD22 ASN A 40 9.249 4.782 -4.037 1.00 1.00 H new ATOM 615 N ILE A 41 10.424 -0.164 -0.809 1.00 1.00 N ATOM 616 CA ILE A 41 9.610 -1.126 -0.083 1.00 1.00 C ATOM 617 C ILE A 41 10.495 -2.074 0.720 1.00 1.00 C ATOM 618 O ILE A 41 11.475 -2.609 0.204 1.00 1.00 O ATOM 619 CB ILE A 41 8.749 -1.920 -1.065 1.00 1.00 C ATOM 620 CG1 ILE A 41 9.628 -2.861 -1.893 1.00 1.00 C ATOM 621 CG2 ILE A 41 8.020 -0.955 -2.000 1.00 1.00 C ATOM 622 CD1 ILE A 41 8.810 -3.433 -3.051 1.00 1.00 C ATOM 0 H ILE A 41 11.219 -0.568 -1.304 1.00 1.00 H new ATOM 0 HA ILE A 41 8.962 -0.587 0.608 1.00 1.00 H new ATOM 0 HB ILE A 41 8.023 -2.509 -0.505 1.00 1.00 H new ATOM 0 HG12 ILE A 41 10.495 -2.323 -2.277 1.00 1.00 H new ATOM 0 HG13 ILE A 41 10.006 -3.669 -1.266 1.00 1.00 H new ATOM 0 HG21 ILE A 41 7.406 -1.521 -2.700 1.00 1.00 H new ATOM 0 HG22 ILE A 41 7.384 -0.291 -1.414 1.00 1.00 H new ATOM 0 HG23 ILE A 41 8.750 -0.363 -2.553 1.00 1.00 H new ATOM 0 HD11 ILE A 41 9.435 -4.103 -3.642 1.00 1.00 H new ATOM 0 HD12 ILE A 41 7.957 -3.985 -2.656 1.00 1.00 H new ATOM 0 HD13 ILE A 41 8.454 -2.619 -3.682 1.00 1.00 H new ATOM 634 N ARG A 42 10.140 -2.272 1.987 1.00 1.00 N ATOM 635 CA ARG A 42 10.907 -3.155 2.858 1.00 1.00 C ATOM 636 C ARG A 42 9.979 -4.106 3.603 1.00 1.00 C ATOM 637 O ARG A 42 9.307 -3.713 4.556 1.00 1.00 O ATOM 638 CB ARG A 42 11.711 -2.328 3.864 1.00 1.00 C ATOM 639 CG ARG A 42 12.731 -3.228 4.564 1.00 1.00 C ATOM 640 CD ARG A 42 13.530 -2.406 5.577 1.00 1.00 C ATOM 641 NE ARG A 42 14.861 -2.978 5.752 1.00 1.00 N ATOM 642 CZ ARG A 42 15.814 -2.791 4.845 1.00 1.00 C ATOM 643 NH1 ARG A 42 15.570 -2.080 3.779 1.00 1.00 N ATOM 644 NH2 ARG A 42 16.994 -3.320 5.019 1.00 1.00 N ATOM 0 H ARG A 42 9.332 -1.836 2.430 1.00 1.00 H new ATOM 0 HA ARG A 42 11.591 -3.740 2.242 1.00 1.00 H new ATOM 0 HB2 ARG A 42 12.221 -1.511 3.354 1.00 1.00 H new ATOM 0 HB3 ARG A 42 11.042 -1.878 4.598 1.00 1.00 H new ATOM 0 HG2 ARG A 42 12.221 -4.049 5.068 1.00 1.00 H new ATOM 0 HG3 ARG A 42 13.403 -3.673 3.830 1.00 1.00 H new ATOM 0 HD2 ARG A 42 13.612 -1.374 5.235 1.00 1.00 H new ATOM 0 HD3 ARG A 42 13.007 -2.385 6.533 1.00 1.00 H new ATOM 0 HE ARG A 42 15.063 -3.531 6.585 1.00 1.00 H new ATOM 0 HH11 ARG A 42 14.647 -1.667 3.641 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.302 -1.937 3.083 1.00 1.00 H new ATOM 0 HH21 ARG A 42 17.185 -3.877 5.852 1.00 1.00 H new ATOM 0 HH22 ARG A 42 17.725 -3.176 4.322 1.00 1.00 H new ATOM 658 N LEU A 43 9.949 -5.359 3.166 1.00 1.00 N ATOM 659 CA LEU A 43 9.099 -6.357 3.807 1.00 1.00 C ATOM 660 C LEU A 43 9.816 -6.960 5.010 1.00 1.00 C ATOM 661 O LEU A 43 10.734 -7.764 4.857 1.00 1.00 O ATOM 662 CB LEU A 43 8.745 -7.461 2.804 1.00 1.00 C ATOM 663 CG LEU A 43 7.687 -8.403 3.395 1.00 1.00 C ATOM 664 CD1 LEU A 43 6.662 -8.755 2.316 1.00 1.00 C ATOM 665 CD2 LEU A 43 8.360 -9.687 3.883 1.00 1.00 C ATOM 0 H LEU A 43 10.497 -5.707 2.379 1.00 1.00 H new ATOM 0 HA LEU A 43 8.182 -5.875 4.147 1.00 1.00 H new ATOM 0 HB2 LEU A 43 8.371 -7.017 1.882 1.00 1.00 H new ATOM 0 HB3 LEU A 43 9.640 -8.026 2.545 1.00 1.00 H new ATOM 0 HG LEU A 43 7.190 -7.909 4.230 1.00 1.00 H new ATOM 0 HD11 LEU A 43 5.909 -9.424 2.733 1.00 1.00 H new ATOM 0 HD12 LEU A 43 6.181 -7.844 1.961 1.00 1.00 H new ATOM 0 HD13 LEU A 43 7.164 -9.248 1.484 1.00 1.00 H new ATOM 0 HD21 LEU A 43 7.608 -10.355 4.302 1.00 1.00 H new ATOM 0 HD22 LEU A 43 8.856 -10.179 3.046 1.00 1.00 H new ATOM 0 HD23 LEU A 43 9.096 -9.443 4.649 1.00 1.00 H new ATOM 677 N ILE A 44 9.395 -6.558 6.205 1.00 1.00 N ATOM 678 CA ILE A 44 10.010 -7.061 7.427 1.00 1.00 C ATOM 679 C ILE A 44 9.869 -8.575 7.514 1.00 1.00 C ATOM 680 O ILE A 44 8.803 -9.124 7.237 1.00 1.00 O ATOM 681 CB ILE A 44 9.352 -6.411 8.645 1.00 1.00 C ATOM 682 CG1 ILE A 44 10.084 -6.850 9.916 1.00 1.00 C ATOM 683 CG2 ILE A 44 7.887 -6.844 8.727 1.00 1.00 C ATOM 684 CD1 ILE A 44 10.624 -5.619 10.646 1.00 1.00 C ATOM 0 H ILE A 44 8.637 -5.891 6.352 1.00 1.00 H new ATOM 0 HA ILE A 44 11.070 -6.810 7.410 1.00 1.00 H new ATOM 0 HB ILE A 44 9.406 -5.326 8.550 1.00 1.00 H new ATOM 0 HG12 ILE A 44 9.406 -7.403 10.566 1.00 1.00 H new ATOM 0 HG13 ILE A 44 10.903 -7.524 9.662 1.00 1.00 H new ATOM 0 HG21 ILE A 44 7.419 -6.380 9.595 1.00 1.00 H new ATOM 0 HG22 ILE A 44 7.364 -6.532 7.823 1.00 1.00 H new ATOM 0 HG23 ILE A 44 7.833 -7.929 8.821 1.00 1.00 H new ATOM 0 HD11 ILE A 44 11.145 -5.932 11.551 1.00 1.00 H new ATOM 0 HD12 ILE A 44 11.316 -5.085 9.995 1.00 1.00 H new ATOM 0 HD13 ILE A 44 9.796 -4.962 10.913 1.00 1.00 H new ATOM 817 N ASN A 52 7.369 -13.044 6.747 1.00 1.00 N ATOM 818 CA ASN A 52 6.706 -11.816 7.186 1.00 1.00 C ATOM 819 C ASN A 52 6.033 -11.989 8.547 1.00 1.00 C ATOM 820 O ASN A 52 5.413 -13.017 8.817 1.00 1.00 O ATOM 821 CB ASN A 52 5.651 -11.412 6.156 1.00 1.00 C ATOM 822 CG ASN A 52 4.315 -12.054 6.510 1.00 1.00 C ATOM 823 OD1 ASN A 52 3.477 -11.428 7.159 1.00 1.00 O ATOM 824 ND2 ASN A 52 4.064 -13.273 6.117 1.00 1.00 N ATOM 0 HA ASN A 52 7.468 -11.042 7.280 1.00 1.00 H new ATOM 0 HB2 ASN A 52 5.549 -10.327 6.132 1.00 1.00 H new ATOM 0 HB3 ASN A 52 5.963 -11.725 5.160 1.00 1.00 H new ATOM 0 HD21 ASN A 52 3.171 -13.710 6.347 1.00 1.00 H new ATOM 0 HD22 ASN A 52 4.760 -13.789 5.579 1.00 1.00 H new ATOM 831 N ARG A 53 6.151 -10.969 9.399 1.00 1.00 N ATOM 832 CA ARG A 53 5.540 -11.015 10.726 1.00 1.00 C ATOM 833 C ARG A 53 4.084 -10.560 10.659 1.00 1.00 C ATOM 834 O ARG A 53 3.548 -10.027 11.629 1.00 1.00 O ATOM 835 CB ARG A 53 6.302 -10.105 11.694 1.00 1.00 C ATOM 836 CG ARG A 53 6.412 -10.783 13.064 1.00 1.00 C ATOM 837 CD ARG A 53 7.181 -9.874 14.024 1.00 1.00 C ATOM 838 NE ARG A 53 6.694 -8.503 13.924 1.00 1.00 N ATOM 839 CZ ARG A 53 7.458 -7.475 14.283 1.00 1.00 C ATOM 840 NH1 ARG A 53 8.665 -7.685 14.729 1.00 1.00 N ATOM 841 NH2 ARG A 53 6.998 -6.258 14.187 1.00 1.00 N ATOM 0 H ARG A 53 6.660 -10.109 9.195 1.00 1.00 H new ATOM 0 HA ARG A 53 5.582 -12.044 11.082 1.00 1.00 H new ATOM 0 HB2 ARG A 53 7.297 -9.893 11.302 1.00 1.00 H new ATOM 0 HB3 ARG A 53 5.787 -9.149 11.791 1.00 1.00 H new ATOM 0 HG2 ARG A 53 5.418 -10.989 13.460 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.922 -11.741 12.967 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.066 -10.234 15.046 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.246 -9.907 13.792 1.00 1.00 H new ATOM 0 HE ARG A 53 5.752 -8.330 13.573 1.00 1.00 H new ATOM 0 HH11 ARG A 53 9.023 -8.637 14.802 1.00 1.00 H new ATOM 0 HH12 ARG A 53 9.251 -6.897 15.004 1.00 1.00 H new ATOM 0 HH21 ARG A 53 6.054 -6.096 13.837 1.00 1.00 H new ATOM 0 HH22 ARG A 53 7.583 -5.469 14.462 1.00 1.00 H new ATOM 855 N GLY A 54 3.451 -10.774 9.512 1.00 1.00 N ATOM 856 CA GLY A 54 2.057 -10.379 9.337 1.00 1.00 C ATOM 857 C GLY A 54 1.938 -8.887 9.039 1.00 1.00 C ATOM 858 O GLY A 54 0.886 -8.286 9.256 1.00 1.00 O ATOM 0 H GLY A 54 3.875 -11.215 8.696 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.614 -10.951 8.522 1.00 1.00 H new ATOM 0 HA3 GLY A 54 1.493 -10.618 10.238 1.00 1.00 H new ATOM 862 N PHE A 55 3.020 -8.290 8.541 1.00 1.00 N ATOM 863 CA PHE A 55 3.014 -6.865 8.223 1.00 1.00 C ATOM 864 C PHE A 55 4.065 -6.538 7.164 1.00 1.00 C ATOM 865 O PHE A 55 5.124 -7.163 7.111 1.00 1.00 O ATOM 866 CB PHE A 55 3.293 -6.047 9.488 1.00 1.00 C ATOM 867 CG PHE A 55 2.329 -6.455 10.574 1.00 1.00 C ATOM 868 CD1 PHE A 55 1.013 -5.977 10.558 1.00 1.00 C ATOM 869 CD2 PHE A 55 2.750 -7.312 11.599 1.00 1.00 C ATOM 870 CE1 PHE A 55 0.119 -6.354 11.568 1.00 1.00 C ATOM 871 CE2 PHE A 55 1.855 -7.688 12.608 1.00 1.00 C ATOM 872 CZ PHE A 55 0.539 -7.210 12.593 1.00 1.00 C ATOM 0 H PHE A 55 3.902 -8.765 8.351 1.00 1.00 H new ATOM 0 HA PHE A 55 2.031 -6.609 7.829 1.00 1.00 H new ATOM 0 HB2 PHE A 55 4.319 -6.208 9.819 1.00 1.00 H new ATOM 0 HB3 PHE A 55 3.189 -4.983 9.276 1.00 1.00 H new ATOM 0 HD1 PHE A 55 0.687 -5.318 9.767 1.00 1.00 H new ATOM 0 HD2 PHE A 55 3.764 -7.683 11.611 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -0.896 -5.984 11.556 1.00 1.00 H new ATOM 0 HE2 PHE A 55 2.180 -8.348 13.399 1.00 1.00 H new ATOM 0 HZ PHE A 55 -0.151 -7.501 13.371 1.00 1.00 H new ATOM 882 N ALA A 56 3.764 -5.549 6.324 1.00 1.00 N ATOM 883 CA ALA A 56 4.690 -5.141 5.269 1.00 1.00 C ATOM 884 C ALA A 56 4.637 -3.630 5.065 1.00 1.00 C ATOM 885 O ALA A 56 3.573 -3.019 5.163 1.00 1.00 O ATOM 886 CB ALA A 56 4.334 -5.848 3.959 1.00 1.00 C ATOM 0 H ALA A 56 2.893 -5.019 6.353 1.00 1.00 H new ATOM 0 HA ALA A 56 5.700 -5.421 5.569 1.00 1.00 H new ATOM 0 HB1 ALA A 56 5.029 -5.539 3.178 1.00 1.00 H new ATOM 0 HB2 ALA A 56 4.401 -6.927 4.098 1.00 1.00 H new ATOM 0 HB3 ALA A 56 3.318 -5.583 3.667 1.00 1.00 H new ATOM 892 N PHE A 57 5.793 -3.035 4.781 1.00 1.00 N ATOM 893 CA PHE A 57 5.871 -1.592 4.566 1.00 1.00 C ATOM 894 C PHE A 57 6.092 -1.279 3.089 1.00 1.00 C ATOM 895 O PHE A 57 6.963 -1.860 2.443 1.00 1.00 O ATOM 896 CB PHE A 57 7.020 -1.006 5.388 1.00 1.00 C ATOM 897 CG PHE A 57 6.468 -0.353 6.634 1.00 1.00 C ATOM 898 CD1 PHE A 57 5.660 0.785 6.527 1.00 1.00 C ATOM 899 CD2 PHE A 57 6.764 -0.884 7.895 1.00 1.00 C ATOM 900 CE1 PHE A 57 5.147 1.391 7.679 1.00 1.00 C ATOM 901 CE2 PHE A 57 6.252 -0.278 9.048 1.00 1.00 C ATOM 902 CZ PHE A 57 5.442 0.860 8.940 1.00 1.00 C ATOM 0 H PHE A 57 6.683 -3.526 4.695 1.00 1.00 H new ATOM 0 HA PHE A 57 4.929 -1.145 4.883 1.00 1.00 H new ATOM 0 HB2 PHE A 57 7.725 -1.792 5.659 1.00 1.00 H new ATOM 0 HB3 PHE A 57 7.570 -0.275 4.795 1.00 1.00 H new ATOM 0 HD1 PHE A 57 5.432 1.196 5.554 1.00 1.00 H new ATOM 0 HD2 PHE A 57 7.388 -1.762 7.978 1.00 1.00 H new ATOM 0 HE1 PHE A 57 4.523 2.269 7.595 1.00 1.00 H new ATOM 0 HE2 PHE A 57 6.481 -0.688 10.021 1.00 1.00 H new ATOM 0 HZ PHE A 57 5.045 1.327 9.829 1.00 1.00 H new ATOM 912 N VAL A 58 5.294 -0.355 2.562 1.00 1.00 N ATOM 913 CA VAL A 58 5.408 0.032 1.158 1.00 1.00 C ATOM 914 C VAL A 58 5.294 1.547 1.010 1.00 1.00 C ATOM 915 O VAL A 58 4.333 2.153 1.484 1.00 1.00 O ATOM 916 CB VAL A 58 4.306 -0.643 0.335 1.00 1.00 C ATOM 917 CG1 VAL A 58 4.895 -1.183 -0.968 1.00 1.00 C ATOM 918 CG2 VAL A 58 3.698 -1.798 1.134 1.00 1.00 C ATOM 0 H VAL A 58 4.566 0.137 3.081 1.00 1.00 H new ATOM 0 HA VAL A 58 6.383 -0.289 0.792 1.00 1.00 H new ATOM 0 HB VAL A 58 3.531 0.089 0.108 1.00 1.00 H new ATOM 0 HG11 VAL A 58 4.109 -1.663 -1.551 1.00 1.00 H new ATOM 0 HG12 VAL A 58 5.323 -0.361 -1.542 1.00 1.00 H new ATOM 0 HG13 VAL A 58 5.674 -1.911 -0.741 1.00 1.00 H new ATOM 0 HG21 VAL A 58 2.915 -2.275 0.545 1.00 1.00 H new ATOM 0 HG22 VAL A 58 4.474 -2.528 1.366 1.00 1.00 H new ATOM 0 HG23 VAL A 58 3.272 -1.415 2.061 1.00 1.00 H new ATOM 928 N GLN A 59 6.280 2.152 0.349 1.00 1.00 N ATOM 929 CA GLN A 59 6.280 3.597 0.141 1.00 1.00 C ATOM 930 C GLN A 59 6.054 3.916 -1.332 1.00 1.00 C ATOM 931 O GLN A 59 6.392 3.119 -2.206 1.00 1.00 O ATOM 932 CB GLN A 59 7.613 4.189 0.596 1.00 1.00 C ATOM 933 CG GLN A 59 7.563 5.714 0.483 1.00 1.00 C ATOM 934 CD GLN A 59 8.806 6.326 1.120 1.00 1.00 C ATOM 935 OE1 GLN A 59 9.704 6.782 0.413 1.00 1.00 O ATOM 936 NE2 GLN A 59 8.913 6.357 2.419 1.00 1.00 N ATOM 0 H GLN A 59 7.084 1.666 -0.049 1.00 1.00 H new ATOM 0 HA GLN A 59 5.473 4.035 0.728 1.00 1.00 H new ATOM 0 HB2 GLN A 59 7.819 3.897 1.626 1.00 1.00 H new ATOM 0 HB3 GLN A 59 8.425 3.795 -0.016 1.00 1.00 H new ATOM 0 HG2 GLN A 59 7.500 6.007 -0.565 1.00 1.00 H new ATOM 0 HG3 GLN A 59 6.668 6.094 0.975 1.00 1.00 H new ATOM 0 HE21 GLN A 59 8.166 5.978 3.001 1.00 1.00 H new ATOM 0 HE22 GLN A 59 9.743 6.760 2.853 1.00 1.00 H new ATOM 945 N LEU A 60 5.477 5.086 -1.601 1.00 1.00 N ATOM 946 CA LEU A 60 5.207 5.501 -2.976 1.00 1.00 C ATOM 947 C LEU A 60 6.117 6.664 -3.364 1.00 1.00 C ATOM 948 O LEU A 60 6.747 7.283 -2.505 1.00 1.00 O ATOM 949 CB LEU A 60 3.738 5.925 -3.124 1.00 1.00 C ATOM 950 CG LEU A 60 2.849 4.726 -3.493 1.00 1.00 C ATOM 951 CD1 LEU A 60 3.207 4.205 -4.890 1.00 1.00 C ATOM 952 CD2 LEU A 60 3.030 3.597 -2.475 1.00 1.00 C ATOM 0 H LEU A 60 5.189 5.759 -0.891 1.00 1.00 H new ATOM 0 HA LEU A 60 5.404 4.657 -3.637 1.00 1.00 H new ATOM 0 HB2 LEU A 60 3.388 6.367 -2.191 1.00 1.00 H new ATOM 0 HB3 LEU A 60 3.654 6.694 -3.892 1.00 1.00 H new ATOM 0 HG LEU A 60 1.811 5.058 -3.486 1.00 1.00 H new ATOM 0 HD11 LEU A 60 2.569 3.356 -5.136 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.056 4.997 -5.623 1.00 1.00 H new ATOM 0 HD13 LEU A 60 4.251 3.891 -4.905 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.395 2.755 -2.749 1.00 1.00 H new ATOM 0 HD22 LEU A 60 4.072 3.278 -2.467 1.00 1.00 H new ATOM 0 HD23 LEU A 60 2.752 3.953 -1.483 1.00 1.00 H new ATOM 964 N SER A 61 6.189 6.953 -4.660 1.00 1.00 N ATOM 965 CA SER A 61 7.033 8.038 -5.150 1.00 1.00 C ATOM 966 C SER A 61 6.603 9.379 -4.564 1.00 1.00 C ATOM 967 O SER A 61 7.439 10.233 -4.268 1.00 1.00 O ATOM 968 CB SER A 61 6.966 8.103 -6.676 1.00 1.00 C ATOM 969 OG SER A 61 7.648 9.265 -7.126 1.00 1.00 O ATOM 0 H SER A 61 5.676 6.454 -5.387 1.00 1.00 H new ATOM 0 HA SER A 61 8.057 7.836 -4.835 1.00 1.00 H new ATOM 0 HB2 SER A 61 7.418 7.211 -7.110 1.00 1.00 H new ATOM 0 HB3 SER A 61 5.927 8.126 -7.005 1.00 1.00 H new ATOM 0 HG SER A 61 7.608 9.309 -8.104 1.00 1.00 H new ATOM 975 N SER A 62 5.298 9.558 -4.404 1.00 1.00 N ATOM 976 CA SER A 62 4.763 10.801 -3.858 1.00 1.00 C ATOM 977 C SER A 62 3.702 10.513 -2.802 1.00 1.00 C ATOM 978 O SER A 62 3.428 9.356 -2.482 1.00 1.00 O ATOM 979 CB SER A 62 4.152 11.643 -4.979 1.00 1.00 C ATOM 980 OG SER A 62 5.015 11.615 -6.109 1.00 1.00 O ATOM 0 H SER A 62 4.592 8.862 -4.643 1.00 1.00 H new ATOM 0 HA SER A 62 5.581 11.351 -3.393 1.00 1.00 H new ATOM 0 HB2 SER A 62 3.169 11.255 -5.247 1.00 1.00 H new ATOM 0 HB3 SER A 62 4.008 12.669 -4.642 1.00 1.00 H new ATOM 0 HG SER A 62 4.627 12.152 -6.831 1.00 1.00 H new ATOM 986 N ALA A 63 3.110 11.573 -2.260 1.00 1.00 N ATOM 987 CA ALA A 63 2.082 11.423 -1.238 1.00 1.00 C ATOM 988 C ALA A 63 0.746 11.046 -1.869 1.00 1.00 C ATOM 989 O ALA A 63 0.078 10.115 -1.420 1.00 1.00 O ATOM 990 CB ALA A 63 1.930 12.728 -0.455 1.00 1.00 C ATOM 0 H ALA A 63 3.323 12.539 -2.510 1.00 1.00 H new ATOM 0 HA ALA A 63 2.386 10.626 -0.560 1.00 1.00 H new ATOM 0 HB1 ALA A 63 1.160 12.608 0.307 1.00 1.00 H new ATOM 0 HB2 ALA A 63 2.877 12.978 0.023 1.00 1.00 H new ATOM 0 HB3 ALA A 63 1.644 13.530 -1.136 1.00 1.00 H new ATOM 996 N MET A 64 0.360 11.777 -2.909 1.00 1.00 N ATOM 997 CA MET A 64 -0.902 11.511 -3.590 1.00 1.00 C ATOM 998 C MET A 64 -0.984 10.051 -4.021 1.00 1.00 C ATOM 999 O MET A 64 -2.017 9.404 -3.858 1.00 1.00 O ATOM 1000 CB MET A 64 -1.035 12.415 -4.818 1.00 1.00 C ATOM 1001 CG MET A 64 -2.375 12.150 -5.505 1.00 1.00 C ATOM 1002 SD MET A 64 -3.243 13.718 -5.760 1.00 1.00 S ATOM 1003 CE MET A 64 -4.667 13.046 -6.653 1.00 1.00 C ATOM 0 H MET A 64 0.898 12.552 -3.297 1.00 1.00 H new ATOM 0 HA MET A 64 -1.716 11.719 -2.896 1.00 1.00 H new ATOM 0 HB2 MET A 64 -0.967 13.462 -4.521 1.00 1.00 H new ATOM 0 HB3 MET A 64 -0.215 12.227 -5.512 1.00 1.00 H new ATOM 0 HG2 MET A 64 -2.213 11.652 -6.461 1.00 1.00 H new ATOM 0 HG3 MET A 64 -2.982 11.481 -4.895 1.00 1.00 H new ATOM 0 HE1 MET A 64 -5.348 13.856 -6.914 1.00 1.00 H new ATOM 0 HE2 MET A 64 -4.326 12.551 -7.562 1.00 1.00 H new ATOM 0 HE3 MET A 64 -5.186 12.326 -6.021 1.00 1.00 H new ATOM 1013 N ASP A 65 0.112 9.537 -4.571 1.00 1.00 N ATOM 1014 CA ASP A 65 0.150 8.150 -5.021 1.00 1.00 C ATOM 1015 C ASP A 65 -0.356 7.217 -3.926 1.00 1.00 C ATOM 1016 O ASP A 65 -1.116 6.286 -4.194 1.00 1.00 O ATOM 1017 CB ASP A 65 1.578 7.765 -5.405 1.00 1.00 C ATOM 1018 CG ASP A 65 1.817 8.057 -6.883 1.00 1.00 C ATOM 1019 OD1 ASP A 65 1.907 9.225 -7.227 1.00 1.00 O ATOM 1020 OD2 ASP A 65 1.906 7.111 -7.648 1.00 1.00 O ATOM 0 H ASP A 65 0.979 10.055 -4.715 1.00 1.00 H new ATOM 0 HA ASP A 65 -0.498 8.052 -5.892 1.00 1.00 H new ATOM 0 HB2 ASP A 65 2.290 8.322 -4.796 1.00 1.00 H new ATOM 0 HB3 ASP A 65 1.745 6.707 -5.203 1.00 1.00 H new ATOM 1025 N ALA A 66 0.071 7.470 -2.694 1.00 1.00 N ATOM 1026 CA ALA A 66 -0.345 6.642 -1.567 1.00 1.00 C ATOM 1027 C ALA A 66 -1.855 6.727 -1.370 1.00 1.00 C ATOM 1028 O ALA A 66 -2.522 5.712 -1.170 1.00 1.00 O ATOM 1029 CB ALA A 66 0.364 7.098 -0.290 1.00 1.00 C ATOM 0 H ALA A 66 0.700 8.235 -2.451 1.00 1.00 H new ATOM 0 HA ALA A 66 -0.074 5.608 -1.782 1.00 1.00 H new ATOM 0 HB1 ALA A 66 0.047 6.474 0.545 1.00 1.00 H new ATOM 0 HB2 ALA A 66 1.442 7.008 -0.421 1.00 1.00 H new ATOM 0 HB3 ALA A 66 0.109 8.137 -0.083 1.00 1.00 H new ATOM 1035 N SER A 67 -2.389 7.942 -1.432 1.00 1.00 N ATOM 1036 CA SER A 67 -3.823 8.144 -1.260 1.00 1.00 C ATOM 1037 C SER A 67 -4.583 7.623 -2.475 1.00 1.00 C ATOM 1038 O SER A 67 -5.715 7.153 -2.357 1.00 1.00 O ATOM 1039 CB SER A 67 -4.121 9.631 -1.067 1.00 1.00 C ATOM 1040 OG SER A 67 -3.713 10.345 -2.225 1.00 1.00 O ATOM 0 H SER A 67 -1.856 8.795 -1.599 1.00 1.00 H new ATOM 0 HA SER A 67 -4.148 7.593 -0.377 1.00 1.00 H new ATOM 0 HB2 SER A 67 -5.186 9.780 -0.890 1.00 1.00 H new ATOM 0 HB3 SER A 67 -3.596 10.008 -0.189 1.00 1.00 H new ATOM 0 HG SER A 67 -3.032 9.829 -2.704 1.00 1.00 H new ATOM 1046 N GLN A 68 -3.953 7.711 -3.640 1.00 1.00 N ATOM 1047 CA GLN A 68 -4.572 7.250 -4.873 1.00 1.00 C ATOM 1048 C GLN A 68 -4.712 5.731 -4.870 1.00 1.00 C ATOM 1049 O GLN A 68 -5.801 5.199 -5.075 1.00 1.00 O ATOM 1050 CB GLN A 68 -3.722 7.683 -6.068 1.00 1.00 C ATOM 1051 CG GLN A 68 -4.533 8.617 -6.968 1.00 1.00 C ATOM 1052 CD GLN A 68 -3.753 8.928 -8.240 1.00 1.00 C ATOM 1053 OE1 GLN A 68 -4.187 8.574 -9.336 1.00 1.00 O ATOM 1054 NE2 GLN A 68 -2.625 9.580 -8.160 1.00 1.00 N ATOM 0 H GLN A 68 -3.016 8.097 -3.755 1.00 1.00 H new ATOM 0 HA GLN A 68 -5.566 7.692 -4.949 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.821 8.189 -5.721 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -3.399 6.808 -6.633 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -5.486 8.153 -7.221 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -4.759 9.541 -6.436 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -2.268 9.872 -7.250 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -2.100 9.798 -9.007 1.00 1.00 H new ATOM 1063 N LEU A 69 -3.601 5.039 -4.637 1.00 1.00 N ATOM 1064 CA LEU A 69 -3.613 3.580 -4.612 1.00 1.00 C ATOM 1065 C LEU A 69 -4.570 3.077 -3.536 1.00 1.00 C ATOM 1066 O LEU A 69 -5.046 1.944 -3.593 1.00 1.00 O ATOM 1067 CB LEU A 69 -2.203 3.044 -4.337 1.00 1.00 C ATOM 1068 CG LEU A 69 -1.936 1.807 -5.201 1.00 1.00 C ATOM 1069 CD1 LEU A 69 -0.511 1.311 -4.949 1.00 1.00 C ATOM 1070 CD2 LEU A 69 -2.927 0.699 -4.837 1.00 1.00 C ATOM 0 H LEU A 69 -2.688 5.460 -4.464 1.00 1.00 H new ATOM 0 HA LEU A 69 -3.950 3.221 -5.584 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -1.463 3.815 -4.552 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -2.101 2.790 -3.282 1.00 1.00 H new ATOM 0 HG LEU A 69 -2.055 2.069 -6.252 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -0.318 0.431 -5.562 1.00 1.00 H new ATOM 0 HD12 LEU A 69 0.199 2.097 -5.208 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -0.397 1.052 -3.896 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -2.734 -0.179 -5.454 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -2.810 0.437 -3.786 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -3.944 1.049 -5.012 1.00 1.00 H new ATOM 1082 N LEU A 70 -4.850 3.929 -2.557 1.00 1.00 N ATOM 1083 CA LEU A 70 -5.755 3.552 -1.475 1.00 1.00 C ATOM 1084 C LEU A 70 -7.206 3.727 -1.915 1.00 1.00 C ATOM 1085 O LEU A 70 -8.066 2.920 -1.574 1.00 1.00 O ATOM 1086 CB LEU A 70 -5.484 4.411 -0.229 1.00 1.00 C ATOM 1087 CG LEU A 70 -5.032 3.530 0.947 1.00 1.00 C ATOM 1088 CD1 LEU A 70 -4.423 4.415 2.035 1.00 1.00 C ATOM 1089 CD2 LEU A 70 -6.234 2.782 1.530 1.00 1.00 C ATOM 0 H LEU A 70 -4.470 4.873 -2.488 1.00 1.00 H new ATOM 0 HA LEU A 70 -5.581 2.504 -1.229 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -4.716 5.152 -0.451 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -6.386 4.959 0.045 1.00 1.00 H new ATOM 0 HG LEU A 70 -4.294 2.811 0.592 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -4.101 3.794 2.871 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -3.565 4.951 1.630 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -5.168 5.131 2.381 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -5.906 2.160 2.363 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -6.973 3.501 1.883 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -6.679 2.152 0.760 1.00 1.00 H new ATOM 1101 N GLN A 71 -7.471 4.779 -2.681 1.00 1.00 N ATOM 1102 CA GLN A 71 -8.821 5.035 -3.161 1.00 1.00 C ATOM 1103 C GLN A 71 -9.105 4.198 -4.406 1.00 1.00 C ATOM 1104 O GLN A 71 -10.246 3.810 -4.660 1.00 1.00 O ATOM 1105 CB GLN A 71 -8.986 6.519 -3.482 1.00 1.00 C ATOM 1106 CG GLN A 71 -10.345 6.751 -4.141 1.00 1.00 C ATOM 1107 CD GLN A 71 -10.974 8.031 -3.600 1.00 1.00 C ATOM 1108 OE1 GLN A 71 -12.122 8.019 -3.154 1.00 1.00 O ATOM 1109 NE2 GLN A 71 -10.285 9.139 -3.605 1.00 1.00 N ATOM 0 H GLN A 71 -6.775 5.462 -2.980 1.00 1.00 H new ATOM 0 HA GLN A 71 -9.531 4.758 -2.382 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -8.907 7.110 -2.570 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -8.187 6.849 -4.146 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -10.227 6.823 -5.222 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -11.002 5.903 -3.948 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -9.334 9.147 -3.975 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -10.697 9.997 -3.239 1.00 1.00 H new ATOM 1118 N ILE A 72 -8.059 3.922 -5.177 1.00 1.00 N ATOM 1119 CA ILE A 72 -8.203 3.131 -6.393 1.00 1.00 C ATOM 1120 C ILE A 72 -8.418 1.661 -6.049 1.00 1.00 C ATOM 1121 O ILE A 72 -9.161 0.956 -6.731 1.00 1.00 O ATOM 1122 CB ILE A 72 -6.950 3.279 -7.261 1.00 1.00 C ATOM 1123 CG1 ILE A 72 -6.897 4.695 -7.840 1.00 1.00 C ATOM 1124 CG2 ILE A 72 -6.996 2.265 -8.406 1.00 1.00 C ATOM 1125 CD1 ILE A 72 -5.520 4.945 -8.456 1.00 1.00 C ATOM 0 H ILE A 72 -7.107 4.232 -4.983 1.00 1.00 H new ATOM 0 HA ILE A 72 -9.071 3.494 -6.944 1.00 1.00 H new ATOM 0 HB ILE A 72 -6.064 3.099 -6.652 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -7.673 4.819 -8.596 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -7.095 5.427 -7.057 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -6.104 2.372 -9.023 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -7.036 1.256 -7.997 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -7.882 2.444 -9.015 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -5.483 5.953 -8.868 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.753 4.838 -7.689 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.340 4.221 -9.251 1.00 1.00 H new ATOM 1137 N LEU A 73 -7.762 1.206 -4.986 1.00 1.00 N ATOM 1138 CA LEU A 73 -7.887 -0.183 -4.560 1.00 1.00 C ATOM 1139 C LEU A 73 -9.142 -0.379 -3.712 1.00 1.00 C ATOM 1140 O LEU A 73 -9.790 -1.423 -3.782 1.00 1.00 O ATOM 1141 CB LEU A 73 -6.652 -0.592 -3.752 1.00 1.00 C ATOM 1142 CG LEU A 73 -6.614 -2.115 -3.596 1.00 1.00 C ATOM 1143 CD1 LEU A 73 -5.913 -2.745 -4.803 1.00 1.00 C ATOM 1144 CD2 LEU A 73 -5.845 -2.476 -2.323 1.00 1.00 C ATOM 0 H LEU A 73 -7.143 1.774 -4.408 1.00 1.00 H new ATOM 0 HA LEU A 73 -7.966 -0.809 -5.449 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -5.748 -0.246 -4.253 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -6.675 -0.117 -2.771 1.00 1.00 H new ATOM 0 HG LEU A 73 -7.634 -2.494 -3.532 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.889 -3.828 -4.685 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -6.456 -2.490 -5.713 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -4.894 -2.365 -4.871 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -5.817 -3.560 -2.210 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.827 -2.092 -2.391 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -6.343 -2.034 -1.460 1.00 1.00 H new ATOM 1156 N GLN A 74 -9.483 0.631 -2.916 1.00 1.00 N ATOM 1157 CA GLN A 74 -10.669 0.547 -2.066 1.00 1.00 C ATOM 1158 C GLN A 74 -11.928 0.837 -2.878 1.00 1.00 C ATOM 1159 O GLN A 74 -13.044 0.605 -2.412 1.00 1.00 O ATOM 1160 CB GLN A 74 -10.577 1.541 -0.903 1.00 1.00 C ATOM 1161 CG GLN A 74 -9.463 1.116 0.057 1.00 1.00 C ATOM 1162 CD GLN A 74 -9.192 2.234 1.059 1.00 1.00 C ATOM 1163 OE1 GLN A 74 -9.092 3.398 0.677 1.00 1.00 O ATOM 1164 NE2 GLN A 74 -9.072 1.946 2.326 1.00 1.00 N ATOM 0 H GLN A 74 -8.964 1.506 -2.841 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.721 -0.465 -1.665 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -10.378 2.543 -1.284 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -11.529 1.584 -0.374 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -9.751 0.206 0.583 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.556 0.888 -0.502 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -9.156 0.979 2.639 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -8.895 2.688 3.003 1.00 1.00 H new ATOM 1173 N SER A 75 -11.742 1.342 -4.094 1.00 1.00 N ATOM 1174 CA SER A 75 -12.873 1.655 -4.958 1.00 1.00 C ATOM 1175 C SER A 75 -13.581 0.373 -5.373 1.00 1.00 C ATOM 1176 O SER A 75 -14.791 0.363 -5.604 1.00 1.00 O ATOM 1177 CB SER A 75 -12.392 2.402 -6.202 1.00 1.00 C ATOM 1178 OG SER A 75 -13.341 2.235 -7.247 1.00 1.00 O ATOM 0 H SER A 75 -10.828 1.541 -4.500 1.00 1.00 H new ATOM 0 HA SER A 75 -13.570 2.288 -4.408 1.00 1.00 H new ATOM 0 HB2 SER A 75 -12.264 3.461 -5.977 1.00 1.00 H new ATOM 0 HB3 SER A 75 -11.419 2.022 -6.515 1.00 1.00 H new ATOM 0 HG SER A 75 -13.036 2.714 -8.046 1.00 1.00 H new ATOM 1184 N LEU A 76 -12.815 -0.708 -5.459 1.00 1.00 N ATOM 1185 CA LEU A 76 -13.372 -2.001 -5.840 1.00 1.00 C ATOM 1186 C LEU A 76 -14.223 -2.559 -4.703 1.00 1.00 C ATOM 1187 O LEU A 76 -13.850 -2.467 -3.534 1.00 1.00 O ATOM 1188 CB LEU A 76 -12.247 -2.987 -6.170 1.00 1.00 C ATOM 1189 CG LEU A 76 -11.378 -2.433 -7.307 1.00 1.00 C ATOM 1190 CD1 LEU A 76 -9.969 -3.022 -7.208 1.00 1.00 C ATOM 1191 CD2 LEU A 76 -11.991 -2.820 -8.657 1.00 1.00 C ATOM 0 H LEU A 76 -11.812 -0.716 -5.271 1.00 1.00 H new ATOM 0 HA LEU A 76 -13.996 -1.864 -6.723 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -11.634 -3.161 -5.285 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -12.669 -3.949 -6.460 1.00 1.00 H new ATOM 0 HG LEU A 76 -11.328 -1.347 -7.225 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -9.352 -2.628 -8.016 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -9.528 -2.750 -6.249 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -10.022 -4.108 -7.288 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -11.373 -2.426 -9.464 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -12.041 -3.906 -8.736 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -12.996 -2.404 -8.733 1.00 1.00 H new ATOM 1203 N HIS A 77 -15.370 -3.133 -5.053 1.00 1.00 N ATOM 1204 CA HIS A 77 -16.264 -3.697 -4.045 1.00 1.00 C ATOM 1205 C HIS A 77 -15.548 -4.754 -3.202 1.00 1.00 C ATOM 1206 O HIS A 77 -15.503 -4.638 -1.978 1.00 1.00 O ATOM 1207 CB HIS A 77 -17.509 -4.305 -4.702 1.00 1.00 C ATOM 1208 CG HIS A 77 -18.707 -3.456 -4.374 1.00 1.00 C ATOM 1209 ND1 HIS A 77 -19.092 -2.382 -5.162 1.00 1.00 N ATOM 1210 CD2 HIS A 77 -19.613 -3.508 -3.345 1.00 1.00 C ATOM 1211 CE1 HIS A 77 -20.186 -1.838 -4.599 1.00 1.00 C ATOM 1212 NE2 HIS A 77 -20.546 -2.485 -3.489 1.00 1.00 N ATOM 0 H HIS A 77 -15.700 -3.220 -6.014 1.00 1.00 H new ATOM 0 HA HIS A 77 -16.575 -2.885 -3.388 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -17.374 -4.362 -5.782 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -17.662 -5.324 -4.346 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -19.604 -4.233 -2.544 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -20.709 -0.981 -4.997 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -21.335 -2.275 -2.878 1.00 1.00 H new ATOM 1220 N PRO A 78 -14.986 -5.771 -3.815 1.00 1.00 N ATOM 1221 CA PRO A 78 -14.262 -6.844 -3.069 1.00 1.00 C ATOM 1222 C PRO A 78 -12.870 -6.383 -2.605 1.00 1.00 C ATOM 1223 O PRO A 78 -12.005 -6.126 -3.440 1.00 1.00 O ATOM 1224 CB PRO A 78 -14.136 -7.967 -4.100 1.00 1.00 C ATOM 1225 CG PRO A 78 -14.127 -7.285 -5.424 1.00 1.00 C ATOM 1226 CD PRO A 78 -14.972 -6.018 -5.270 1.00 1.00 C ATOM 0 HA PRO A 78 -14.786 -7.140 -2.160 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -13.222 -8.541 -3.947 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -14.968 -8.667 -4.023 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -13.109 -7.037 -5.725 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -14.539 -7.934 -6.197 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -14.536 -5.179 -5.813 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -15.980 -6.161 -5.660 1.00 1.00 H new ATOM 1234 N PRO A 79 -12.628 -6.268 -1.314 1.00 1.00 N ATOM 1235 CA PRO A 79 -11.297 -5.827 -0.797 1.00 1.00 C ATOM 1236 C PRO A 79 -10.147 -6.583 -1.461 1.00 1.00 C ATOM 1237 O PRO A 79 -10.364 -7.410 -2.345 1.00 1.00 O ATOM 1238 CB PRO A 79 -11.358 -6.140 0.699 1.00 1.00 C ATOM 1239 CG PRO A 79 -12.808 -6.134 1.050 1.00 1.00 C ATOM 1240 CD PRO A 79 -13.572 -6.537 -0.211 1.00 1.00 C ATOM 0 HA PRO A 79 -11.109 -4.774 -1.006 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -10.906 -7.108 0.916 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -10.811 -5.396 1.278 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -13.011 -6.830 1.864 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -13.119 -5.146 1.391 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -13.860 -7.588 -0.182 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -14.489 -5.958 -0.322 1.00 1.00 H new ATOM 1248 N LEU A 80 -8.924 -6.301 -1.024 1.00 1.00 N ATOM 1249 CA LEU A 80 -7.756 -6.968 -1.583 1.00 1.00 C ATOM 1250 C LEU A 80 -7.672 -8.396 -1.062 1.00 1.00 C ATOM 1251 O LEU A 80 -7.642 -8.617 0.147 1.00 1.00 O ATOM 1252 CB LEU A 80 -6.488 -6.196 -1.206 1.00 1.00 C ATOM 1253 CG LEU A 80 -5.268 -6.806 -1.910 1.00 1.00 C ATOM 1254 CD1 LEU A 80 -5.405 -6.659 -3.430 1.00 1.00 C ATOM 1255 CD2 LEU A 80 -4.004 -6.078 -1.448 1.00 1.00 C ATOM 0 H LEU A 80 -8.718 -5.622 -0.292 1.00 1.00 H new ATOM 0 HA LEU A 80 -7.847 -6.995 -2.669 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -6.594 -5.148 -1.488 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -6.345 -6.222 -0.126 1.00 1.00 H new ATOM 0 HG LEU A 80 -5.205 -7.865 -1.658 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -4.533 -7.095 -3.918 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.305 -7.174 -3.766 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -5.474 -5.602 -3.689 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -3.134 -6.508 -1.945 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -4.081 -5.020 -1.700 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.895 -6.187 -0.369 1.00 1.00 H new ATOM 1267 N LYS A 81 -7.645 -9.359 -1.979 1.00 1.00 N ATOM 1268 CA LYS A 81 -7.576 -10.768 -1.598 1.00 1.00 C ATOM 1269 C LYS A 81 -6.373 -11.447 -2.239 1.00 1.00 C ATOM 1270 O LYS A 81 -6.291 -11.569 -3.462 1.00 1.00 O ATOM 1271 CB LYS A 81 -8.862 -11.485 -2.025 1.00 1.00 C ATOM 1272 CG LYS A 81 -9.028 -12.793 -1.235 1.00 1.00 C ATOM 1273 CD LYS A 81 -7.938 -13.795 -1.625 1.00 1.00 C ATOM 1274 CE LYS A 81 -8.465 -15.216 -1.415 1.00 1.00 C ATOM 1275 NZ LYS A 81 -7.326 -16.135 -1.139 1.00 1.00 N ATOM 0 H LYS A 81 -7.670 -9.192 -2.985 1.00 1.00 H new ATOM 0 HA LYS A 81 -7.468 -10.825 -0.515 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -9.722 -10.837 -1.855 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -8.830 -11.698 -3.093 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -8.977 -12.588 -0.166 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -10.011 -13.221 -1.431 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -7.650 -13.651 -2.666 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -7.045 -13.632 -1.022 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.170 -15.234 -0.584 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -9.007 -15.548 -2.300 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -7.253 -16.836 -1.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -6.443 -15.588 -1.086 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -7.485 -16.624 -0.235 1.00 1.00 H new ATOM 1289 N ILE A 82 -5.452 -11.901 -1.397 1.00 1.00 N ATOM 1290 CA ILE A 82 -4.254 -12.585 -1.867 1.00 1.00 C ATOM 1291 C ILE A 82 -4.263 -14.024 -1.362 1.00 1.00 C ATOM 1292 O ILE A 82 -4.591 -14.272 -0.203 1.00 1.00 O ATOM 1293 CB ILE A 82 -3.005 -11.858 -1.353 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -3.023 -10.412 -1.859 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -1.746 -12.564 -1.867 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -1.851 -9.635 -1.252 1.00 1.00 C ATOM 0 H ILE A 82 -5.513 -11.807 -0.383 1.00 1.00 H new ATOM 0 HA ILE A 82 -4.239 -12.585 -2.957 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.000 -11.868 -0.263 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -2.957 -10.397 -2.947 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -3.966 -9.935 -1.591 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.861 -12.044 -1.499 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.736 -13.594 -1.511 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -1.744 -12.557 -2.957 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -1.869 -8.607 -1.615 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -1.937 -9.637 -0.165 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -0.912 -10.107 -1.543 1.00 1.00 H new ATOM 1308 N ASP A 83 -3.918 -14.965 -2.246 1.00 1.00 N ATOM 1309 CA ASP A 83 -3.901 -16.383 -1.885 1.00 1.00 C ATOM 1310 C ASP A 83 -3.498 -16.569 -0.426 1.00 1.00 C ATOM 1311 O ASP A 83 -2.325 -16.444 -0.071 1.00 1.00 O ATOM 1312 CB ASP A 83 -2.920 -17.137 -2.784 1.00 1.00 C ATOM 1313 CG ASP A 83 -3.445 -17.169 -4.216 1.00 1.00 C ATOM 1314 OD1 ASP A 83 -4.396 -17.891 -4.461 1.00 1.00 O ATOM 1315 OD2 ASP A 83 -2.886 -16.469 -5.045 1.00 1.00 O ATOM 0 H ASP A 83 -3.649 -14.771 -3.210 1.00 1.00 H new ATOM 0 HA ASP A 83 -4.906 -16.781 -2.022 1.00 1.00 H new ATOM 0 HB2 ASP A 83 -1.943 -16.654 -2.757 1.00 1.00 H new ATOM 0 HB3 ASP A 83 -2.783 -18.154 -2.415 1.00 1.00 H new ATOM 1320 N GLY A 84 -4.484 -16.861 0.417 1.00 1.00 N ATOM 1321 CA GLY A 84 -4.232 -17.056 1.839 1.00 1.00 C ATOM 1322 C GLY A 84 -5.398 -16.533 2.672 1.00 1.00 C ATOM 1323 O GLY A 84 -5.988 -17.271 3.460 1.00 1.00 O ATOM 0 H GLY A 84 -5.460 -16.967 0.141 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -4.079 -18.116 2.044 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -3.315 -16.541 2.125 1.00 1.00 H new ATOM 1327 N LYS A 85 -5.722 -15.256 2.493 1.00 1.00 N ATOM 1328 CA LYS A 85 -6.819 -14.645 3.236 1.00 1.00 C ATOM 1329 C LYS A 85 -7.071 -13.220 2.751 1.00 1.00 C ATOM 1330 O LYS A 85 -6.373 -12.722 1.867 1.00 1.00 O ATOM 1331 CB LYS A 85 -6.492 -14.626 4.730 1.00 1.00 C ATOM 1332 CG LYS A 85 -4.981 -14.483 4.921 1.00 1.00 C ATOM 1333 CD LYS A 85 -4.698 -13.790 6.256 1.00 1.00 C ATOM 1334 CE LYS A 85 -3.229 -13.986 6.632 1.00 1.00 C ATOM 1335 NZ LYS A 85 -2.963 -13.342 7.948 1.00 1.00 N ATOM 0 H LYS A 85 -5.245 -14.629 1.845 1.00 1.00 H new ATOM 0 HA LYS A 85 -7.718 -15.237 3.068 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -7.010 -13.799 5.216 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -6.843 -15.544 5.202 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -4.507 -15.464 4.901 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -4.553 -13.905 4.102 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -4.926 -12.727 6.181 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -5.341 -14.200 7.034 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -2.994 -15.049 6.681 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -2.586 -13.553 5.866 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -1.996 -12.958 7.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -3.643 -12.570 8.101 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -3.063 -14.047 8.706 1.00 1.00 H new ATOM 1349 N THR A 86 -8.074 -12.570 3.334 1.00 1.00 N ATOM 1350 CA THR A 86 -8.413 -11.204 2.955 1.00 1.00 C ATOM 1351 C THR A 86 -7.307 -10.236 3.368 1.00 1.00 C ATOM 1352 O THR A 86 -6.713 -10.375 4.436 1.00 1.00 O ATOM 1353 CB THR A 86 -9.729 -10.789 3.616 1.00 1.00 C ATOM 1354 OG1 THR A 86 -10.478 -11.952 3.944 1.00 1.00 O ATOM 1355 CG2 THR A 86 -10.534 -9.915 2.655 1.00 1.00 C ATOM 0 H THR A 86 -8.663 -12.965 4.067 1.00 1.00 H new ATOM 0 HA THR A 86 -8.522 -11.168 1.871 1.00 1.00 H new ATOM 0 HB THR A 86 -9.517 -10.223 4.523 1.00 1.00 H new ATOM 0 HG1 THR A 86 -11.321 -11.689 4.369 1.00 1.00 H new ATOM 0 HG21 THR A 86 -11.471 -9.621 3.128 1.00 1.00 H new ATOM 0 HG22 THR A 86 -9.958 -9.024 2.405 1.00 1.00 H new ATOM 0 HG23 THR A 86 -10.748 -10.476 1.745 1.00 1.00 H new ATOM 1363 N ILE A 87 -7.042 -9.255 2.507 1.00 1.00 N ATOM 1364 CA ILE A 87 -6.007 -8.259 2.777 1.00 1.00 C ATOM 1365 C ILE A 87 -6.606 -6.854 2.810 1.00 1.00 C ATOM 1366 O ILE A 87 -7.430 -6.498 1.963 1.00 1.00 O ATOM 1367 CB ILE A 87 -4.930 -8.330 1.695 1.00 1.00 C ATOM 1368 CG1 ILE A 87 -4.232 -9.695 1.758 1.00 1.00 C ATOM 1369 CG2 ILE A 87 -3.908 -7.209 1.909 1.00 1.00 C ATOM 1370 CD1 ILE A 87 -3.045 -9.642 2.726 1.00 1.00 C ATOM 0 H ILE A 87 -7.528 -9.129 1.619 1.00 1.00 H new ATOM 0 HA ILE A 87 -5.565 -8.473 3.750 1.00 1.00 H new ATOM 0 HB ILE A 87 -5.390 -8.207 0.715 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -4.940 -10.458 2.081 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -3.887 -9.981 0.764 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -3.142 -7.263 1.136 1.00 1.00 H new ATOM 0 HG22 ILE A 87 -4.411 -6.243 1.855 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -3.444 -7.322 2.889 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.560 -10.617 2.760 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -2.330 -8.893 2.385 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -3.400 -9.378 3.722 1.00 1.00 H new ATOM 1382 N GLY A 88 -6.182 -6.062 3.796 1.00 1.00 N ATOM 1383 CA GLY A 88 -6.679 -4.696 3.942 1.00 1.00 C ATOM 1384 C GLY A 88 -5.559 -3.679 3.741 1.00 1.00 C ATOM 1385 O GLY A 88 -4.386 -4.040 3.653 1.00 1.00 O ATOM 0 H GLY A 88 -5.500 -6.342 4.501 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.473 -4.515 3.217 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.116 -4.569 4.932 1.00 1.00 H new ATOM 1389 N VAL A 89 -5.936 -2.402 3.673 1.00 1.00 N ATOM 1390 CA VAL A 89 -4.963 -1.329 3.488 1.00 1.00 C ATOM 1391 C VAL A 89 -5.166 -0.239 4.535 1.00 1.00 C ATOM 1392 O VAL A 89 -6.299 0.109 4.870 1.00 1.00 O ATOM 1393 CB VAL A 89 -5.108 -0.725 2.089 1.00 1.00 C ATOM 1394 CG1 VAL A 89 -3.909 0.177 1.791 1.00 1.00 C ATOM 1395 CG2 VAL A 89 -5.166 -1.846 1.051 1.00 1.00 C ATOM 0 H VAL A 89 -6.904 -2.088 3.743 1.00 1.00 H new ATOM 0 HA VAL A 89 -3.963 -1.748 3.601 1.00 1.00 H new ATOM 0 HB VAL A 89 -6.025 -0.138 2.045 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -4.015 0.606 0.794 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -3.865 0.979 2.528 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -2.992 -0.410 1.838 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -5.269 -1.415 0.055 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -4.249 -2.434 1.099 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -6.021 -2.490 1.258 1.00 1.00 H new ATOM 1405 N ASP A 90 -4.063 0.296 5.049 1.00 1.00 N ATOM 1406 CA ASP A 90 -4.136 1.345 6.061 1.00 1.00 C ATOM 1407 C ASP A 90 -2.994 2.342 5.882 1.00 1.00 C ATOM 1408 O ASP A 90 -1.931 1.994 5.367 1.00 1.00 O ATOM 1409 CB ASP A 90 -4.064 0.725 7.459 1.00 1.00 C ATOM 1410 CG ASP A 90 -4.717 -0.653 7.450 1.00 1.00 C ATOM 1411 OD1 ASP A 90 -4.027 -1.608 7.132 1.00 1.00 O ATOM 1412 OD2 ASP A 90 -5.893 -0.732 7.759 1.00 1.00 O ATOM 0 H ASP A 90 -3.116 0.024 4.785 1.00 1.00 H new ATOM 0 HA ASP A 90 -5.083 1.872 5.946 1.00 1.00 H new ATOM 0 HB2 ASP A 90 -3.025 0.642 7.777 1.00 1.00 H new ATOM 0 HB3 ASP A 90 -4.567 1.371 8.179 1.00 1.00 H new ATOM 1417 N PHE A 91 -3.219 3.580 6.313 1.00 1.00 N ATOM 1418 CA PHE A 91 -2.197 4.616 6.196 1.00 1.00 C ATOM 1419 C PHE A 91 -1.070 4.368 7.194 1.00 1.00 C ATOM 1420 O PHE A 91 -1.164 3.481 8.041 1.00 1.00 O ATOM 1421 CB PHE A 91 -2.819 5.989 6.458 1.00 1.00 C ATOM 1422 CG PHE A 91 -3.354 6.562 5.166 1.00 1.00 C ATOM 1423 CD1 PHE A 91 -2.473 6.881 4.126 1.00 1.00 C ATOM 1424 CD2 PHE A 91 -4.729 6.778 5.011 1.00 1.00 C ATOM 1425 CE1 PHE A 91 -2.967 7.415 2.930 1.00 1.00 C ATOM 1426 CE2 PHE A 91 -5.223 7.311 3.814 1.00 1.00 C ATOM 1427 CZ PHE A 91 -4.342 7.629 2.774 1.00 1.00 C ATOM 0 H PHE A 91 -4.091 3.889 6.743 1.00 1.00 H new ATOM 0 HA PHE A 91 -1.787 4.588 5.186 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -3.623 5.901 7.188 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -2.074 6.661 6.884 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -1.413 6.715 4.246 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -5.408 6.534 5.814 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -2.288 7.662 2.128 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -6.283 7.477 3.693 1.00 1.00 H new ATOM 0 HZ PHE A 91 -4.723 8.040 1.851 1.00 1.00 H new ATOM 1437 N ALA A 92 -0.008 5.160 7.087 1.00 1.00 N ATOM 1438 CA ALA A 92 1.131 5.018 7.986 1.00 1.00 C ATOM 1439 C ALA A 92 1.110 6.109 9.053 1.00 1.00 C ATOM 1440 O ALA A 92 1.876 7.071 8.987 1.00 1.00 O ATOM 1441 CB ALA A 92 2.437 5.104 7.193 1.00 1.00 C ATOM 0 H ALA A 92 0.088 5.901 6.393 1.00 1.00 H new ATOM 0 HA ALA A 92 1.066 4.045 8.474 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.283 4.997 7.872 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.465 4.307 6.450 1.00 1.00 H new ATOM 0 HB3 ALA A 92 2.495 6.070 6.691 1.00 1.00 H new