USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 729 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 42 HIS : no HE2:sc= -0.473 K(o=-0.26,f=-1.7) USER MOD Set 1.2: A 57 SER OG : rot -123:sc= 0.216 USER MOD Single : A 9 HIS : no HE2:sc= 0.227 K(o=0.23,f=-1.2) USER MOD Single : A 11 HIS : no HD1:sc= -0.697 K(o=-0.7,f=0.06) USER MOD Single : A 21 GLN : amide:sc= 0.281 K(o=0.28,f=-0.34) USER MOD Single : A 24 ASN : amide:sc= 0.0333 X(o=0.033,f=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.0532 K(o=0.053,f=-0.72) USER MOD Single : A 29 TYR OH : rot -150:sc= 0.195 USER MOD Single : A 33 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.21) USER MOD Single : A 34 ASN : amide:sc= -2.52! C(o=-2.5!,f=-8.3!) USER MOD Single : A 37 SER OG : rot -21:sc= 0.176 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 175:sc= -1.13 (180deg=-1.14) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 67 ASN : amide:sc= 0.225 X(o=0.22,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= -0.0813 (180deg=-0.27) USER MOD Single : A 79 HIS : no HD1:sc= -2.58! K(o=-2.6!,f=-1.3) USER MOD Single : A 95 TYR OH : rot -48:sc= 1.04 USER MOD Single : A 98 MET CE :methyl -142:sc= -0.616 (180deg=-0.782) USER MOD Single : A 105 LYS NZ :NH3+ 165:sc= -0.0249 (180deg=-0.243) USER MOD Single : A 107 HIS : no HD1:sc= -0.268 X(o=-0.27,f=0.02) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -5.606 9.686 -3.265 1.00 0.00 N ATOM 63 CA PHE A 5 -4.247 9.411 -2.781 1.00 0.00 C ATOM 64 C PHE A 5 -3.888 10.466 -1.727 1.00 0.00 C ATOM 65 O PHE A 5 -4.065 11.668 -1.956 1.00 0.00 O ATOM 66 CB PHE A 5 -3.214 9.403 -3.947 1.00 0.00 C ATOM 67 CG PHE A 5 -1.758 9.311 -3.478 1.00 0.00 C ATOM 68 CD1 PHE A 5 -1.331 8.244 -2.689 1.00 0.00 C ATOM 69 CD2 PHE A 5 -0.833 10.307 -3.794 1.00 0.00 C ATOM 70 CE1 PHE A 5 -0.034 8.181 -2.228 1.00 0.00 C ATOM 71 CE2 PHE A 5 0.466 10.235 -3.340 1.00 0.00 C ATOM 72 CZ PHE A 5 0.865 9.174 -2.555 1.00 0.00 C ATOM 0 HA PHE A 5 -4.215 8.417 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.429 8.561 -4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.340 10.310 -4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.026 7.457 -2.436 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.139 11.145 -4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.279 7.353 -1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.172 11.010 -3.599 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.882 9.121 -2.196 1.00 0.00 H new ATOM 82 N GLU A 6 -3.382 9.992 -0.585 1.00 0.00 N ATOM 83 CA GLU A 6 -3.040 10.820 0.577 1.00 0.00 C ATOM 84 C GLU A 6 -1.916 10.125 1.386 1.00 0.00 C ATOM 85 O GLU A 6 -1.665 8.926 1.187 1.00 0.00 O ATOM 86 CB GLU A 6 -4.310 11.023 1.454 1.00 0.00 C ATOM 87 CG GLU A 6 -4.919 9.715 1.991 1.00 0.00 C ATOM 88 CD GLU A 6 -6.219 9.915 2.772 1.00 0.00 C ATOM 89 OE1 GLU A 6 -6.160 10.213 3.983 1.00 0.00 O ATOM 90 OE2 GLU A 6 -7.309 9.772 2.174 1.00 0.00 O ATOM 0 H GLU A 6 -3.194 9.000 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.682 11.797 0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.057 11.666 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.064 11.548 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.108 9.043 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.190 9.224 2.636 1.00 0.00 H new ATOM 97 N PRO A 7 -1.184 10.873 2.273 1.00 0.00 N ATOM 98 CA PRO A 7 -0.210 10.273 3.215 1.00 0.00 C ATOM 99 C PRO A 7 -0.844 9.181 4.111 1.00 0.00 C ATOM 100 O PRO A 7 -1.559 9.482 5.076 1.00 0.00 O ATOM 101 CB PRO A 7 0.293 11.489 4.040 1.00 0.00 C ATOM 102 CG PRO A 7 0.088 12.659 3.127 1.00 0.00 C ATOM 103 CD PRO A 7 -1.189 12.358 2.378 1.00 0.00 C ATOM 0 HA PRO A 7 0.596 9.750 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.270 11.603 4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.342 11.377 4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.004 13.588 3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.928 12.776 2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.065 12.720 2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.200 12.830 1.396 1.00 0.00 H new ATOM 111 N GLY A 8 -0.611 7.909 3.740 1.00 0.00 N ATOM 112 CA GLY A 8 -1.037 6.755 4.540 1.00 0.00 C ATOM 113 C GLY A 8 -2.179 5.948 3.938 1.00 0.00 C ATOM 114 O GLY A 8 -2.505 4.878 4.466 1.00 0.00 O ATOM 0 H GLY A 8 -0.124 7.657 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.181 6.095 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.339 7.106 5.527 1.00 0.00 H new ATOM 118 N HIS A 9 -2.783 6.426 2.829 1.00 0.00 N ATOM 119 CA HIS A 9 -3.996 5.800 2.248 1.00 0.00 C ATOM 120 C HIS A 9 -4.183 6.174 0.757 1.00 0.00 C ATOM 121 O HIS A 9 -3.729 7.219 0.307 1.00 0.00 O ATOM 122 CB HIS A 9 -5.233 6.208 3.097 1.00 0.00 C ATOM 123 CG HIS A 9 -6.579 5.765 2.576 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.549 6.657 2.176 1.00 0.00 N ATOM 125 CD2 HIS A 9 -7.127 4.530 2.430 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.624 6.001 1.811 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.406 4.705 1.957 1.00 0.00 N ATOM 0 H HIS A 9 -2.452 7.243 2.316 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.881 4.717 2.277 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.106 5.805 4.102 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.242 7.294 3.188 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -7.447 7.672 2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.647 3.587 2.645 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.539 6.447 1.450 1.00 0.00 H new ATOM 136 N LEU A 10 -4.835 5.269 0.010 1.00 0.00 N ATOM 137 CA LEU A 10 -5.166 5.414 -1.418 1.00 0.00 C ATOM 138 C LEU A 10 -6.519 4.690 -1.655 1.00 0.00 C ATOM 139 O LEU A 10 -6.848 3.750 -0.933 1.00 0.00 O ATOM 140 CB LEU A 10 -3.985 4.822 -2.269 1.00 0.00 C ATOM 141 CG LEU A 10 -4.013 5.027 -3.834 1.00 0.00 C ATOM 142 CD1 LEU A 10 -2.582 5.008 -4.432 1.00 0.00 C ATOM 143 CD2 LEU A 10 -4.900 3.978 -4.553 1.00 0.00 C ATOM 0 H LEU A 10 -5.159 4.383 0.398 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.282 6.454 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.057 5.253 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.940 3.750 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.455 6.009 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.637 5.152 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.992 5.810 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.111 4.049 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.885 4.164 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.516 2.978 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.924 4.054 -4.186 1.00 0.00 H new ATOM 155 N HIS A 11 -7.329 5.164 -2.618 1.00 0.00 N ATOM 156 CA HIS A 11 -8.664 4.583 -2.917 1.00 0.00 C ATOM 157 C HIS A 11 -8.782 4.246 -4.422 1.00 0.00 C ATOM 158 O HIS A 11 -8.328 5.017 -5.276 1.00 0.00 O ATOM 159 CB HIS A 11 -9.767 5.587 -2.468 1.00 0.00 C ATOM 160 CG HIS A 11 -11.201 5.084 -2.479 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.272 5.926 -2.289 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.738 3.844 -2.625 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.391 5.238 -2.319 1.00 0.00 C ATOM 164 NE2 HIS A 11 -13.096 3.973 -2.522 1.00 0.00 N ATOM 0 H HIS A 11 -7.085 5.956 -3.212 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.794 3.651 -2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.532 5.919 -1.457 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.710 6.464 -3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.193 2.926 -2.792 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.385 5.643 -2.197 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -13.771 3.211 -2.591 1.00 0.00 H new ATOM 173 N LEU A 12 -9.408 3.085 -4.720 1.00 0.00 N ATOM 174 CA LEU A 12 -9.680 2.584 -6.086 1.00 0.00 C ATOM 175 C LEU A 12 -11.187 2.295 -6.199 1.00 0.00 C ATOM 176 O LEU A 12 -11.775 1.705 -5.279 1.00 0.00 O ATOM 177 CB LEU A 12 -8.888 1.276 -6.384 1.00 0.00 C ATOM 178 CG LEU A 12 -7.332 1.379 -6.390 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.681 -0.013 -6.603 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.844 2.398 -7.454 1.00 0.00 C ATOM 0 H LEU A 12 -9.748 2.453 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.365 3.339 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.176 0.529 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.207 0.900 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.017 1.745 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.596 0.089 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.983 -0.683 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.007 -0.425 -7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.755 2.450 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.176 2.079 -8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.257 3.382 -7.232 1.00 0.00 H new ATOM 192 N VAL A 13 -11.806 2.722 -7.316 1.00 0.00 N ATOM 193 CA VAL A 13 -13.239 2.495 -7.604 1.00 0.00 C ATOM 194 C VAL A 13 -13.444 2.105 -9.091 1.00 0.00 C ATOM 195 O VAL A 13 -12.899 2.748 -9.996 1.00 0.00 O ATOM 196 CB VAL A 13 -14.123 3.759 -7.263 1.00 0.00 C ATOM 197 CG1 VAL A 13 -14.288 3.951 -5.733 1.00 0.00 C ATOM 198 CG2 VAL A 13 -13.541 5.035 -7.916 1.00 0.00 C ATOM 0 H VAL A 13 -11.323 3.239 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.563 1.675 -6.963 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.114 3.582 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.902 4.831 -5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.770 3.072 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.308 4.086 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.168 5.890 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.530 5.205 -7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.514 4.910 -8.998 1.00 0.00 H new ATOM 307 N GLN A 21 -19.890 -3.020 -12.565 1.00 0.00 N ATOM 308 CA GLN A 21 -19.565 -3.973 -11.487 1.00 0.00 C ATOM 309 C GLN A 21 -19.065 -3.157 -10.299 1.00 0.00 C ATOM 310 O GLN A 21 -18.414 -2.136 -10.498 1.00 0.00 O ATOM 311 CB GLN A 21 -18.469 -4.973 -11.944 1.00 0.00 C ATOM 312 CG GLN A 21 -18.071 -6.036 -10.891 1.00 0.00 C ATOM 313 CD GLN A 21 -16.957 -6.985 -11.355 1.00 0.00 C ATOM 314 OE1 GLN A 21 -16.809 -7.266 -12.544 1.00 0.00 O ATOM 315 NE2 GLN A 21 -16.172 -7.491 -10.414 1.00 0.00 N ATOM 0 HA GLN A 21 -20.447 -4.555 -11.220 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -18.817 -5.485 -12.841 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -17.579 -4.410 -12.224 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.748 -5.529 -9.982 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -18.951 -6.624 -10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -16.320 -7.239 -9.437 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.420 -8.132 -10.667 1.00 0.00 H new ATOM 324 N ASP A 22 -19.364 -3.603 -9.086 1.00 0.00 N ATOM 325 CA ASP A 22 -19.047 -2.853 -7.869 1.00 0.00 C ATOM 326 C ASP A 22 -17.712 -3.320 -7.283 1.00 0.00 C ATOM 327 O ASP A 22 -17.690 -4.236 -6.473 1.00 0.00 O ATOM 328 CB ASP A 22 -20.202 -3.028 -6.845 1.00 0.00 C ATOM 329 CG ASP A 22 -20.015 -2.178 -5.573 1.00 0.00 C ATOM 330 OD1 ASP A 22 -20.273 -0.958 -5.626 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.606 -2.725 -4.520 1.00 0.00 O ATOM 0 H ASP A 22 -19.832 -4.493 -8.914 1.00 0.00 H new ATOM 0 HA ASP A 22 -18.947 -1.794 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -21.145 -2.758 -7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -20.276 -4.079 -6.565 1.00 0.00 H new ATOM 336 N ILE A 23 -16.586 -2.726 -7.728 1.00 0.00 N ATOM 337 CA ILE A 23 -15.267 -2.970 -7.097 1.00 0.00 C ATOM 338 C ILE A 23 -14.913 -1.700 -6.307 1.00 0.00 C ATOM 339 O ILE A 23 -15.020 -0.574 -6.816 1.00 0.00 O ATOM 340 CB ILE A 23 -14.104 -3.441 -8.122 1.00 0.00 C ATOM 341 CG1 ILE A 23 -13.192 -2.284 -8.703 1.00 0.00 C ATOM 342 CG2 ILE A 23 -14.723 -4.270 -9.279 1.00 0.00 C ATOM 343 CD1 ILE A 23 -12.025 -1.815 -7.832 1.00 0.00 C ATOM 0 H ILE A 23 -16.560 -2.078 -8.516 1.00 0.00 H new ATOM 0 HA ILE A 23 -15.339 -3.829 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.428 -4.050 -7.522 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.788 -2.619 -9.659 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.828 -1.423 -8.910 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.935 -4.583 -9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -15.220 -5.150 -8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -15.449 -3.660 -9.816 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.483 -1.021 -8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.408 -1.437 -6.884 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.352 -2.652 -7.644 1.00 0.00 H new ATOM 355 N ASN A 24 -14.561 -1.905 -5.044 1.00 0.00 N ATOM 356 CA ASN A 24 -14.136 -0.845 -4.116 1.00 0.00 C ATOM 357 C ASN A 24 -12.937 -1.378 -3.349 1.00 0.00 C ATOM 358 O ASN A 24 -12.984 -2.507 -2.849 1.00 0.00 O ATOM 359 CB ASN A 24 -15.272 -0.473 -3.130 1.00 0.00 C ATOM 360 CG ASN A 24 -16.514 0.083 -3.820 1.00 0.00 C ATOM 361 OD1 ASN A 24 -16.643 1.292 -4.007 1.00 0.00 O ATOM 362 ND2 ASN A 24 -17.433 -0.788 -4.205 1.00 0.00 N ATOM 0 H ASN A 24 -14.560 -2.832 -4.619 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.883 0.058 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.549 -1.357 -2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.899 0.264 -2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -18.280 -0.463 -4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.295 -1.784 -4.035 1.00 0.00 H new ATOM 369 N ILE A 25 -11.857 -0.587 -3.266 1.00 0.00 N ATOM 370 CA ILE A 25 -10.575 -1.027 -2.682 1.00 0.00 C ATOM 371 C ILE A 25 -9.926 0.155 -1.956 1.00 0.00 C ATOM 372 O ILE A 25 -9.911 1.269 -2.472 1.00 0.00 O ATOM 373 CB ILE A 25 -9.560 -1.562 -3.773 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.174 -2.739 -4.593 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.209 -1.991 -3.134 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.322 -3.231 -5.738 1.00 0.00 C ATOM 0 H ILE A 25 -11.845 0.376 -3.601 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.795 -1.847 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.363 -0.737 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.364 -3.573 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.139 -2.422 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.537 -2.353 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.756 -1.136 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.385 -2.785 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.833 -4.049 -6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.152 -2.416 -6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.365 -3.584 -5.354 1.00 0.00 H new ATOM 388 N HIS A 26 -9.409 -0.104 -0.759 1.00 0.00 N ATOM 389 CA HIS A 26 -8.600 0.846 0.010 1.00 0.00 C ATOM 390 C HIS A 26 -7.183 0.262 0.053 1.00 0.00 C ATOM 391 O HIS A 26 -7.033 -0.954 0.173 1.00 0.00 O ATOM 392 CB HIS A 26 -9.142 1.012 1.463 1.00 0.00 C ATOM 393 CG HIS A 26 -10.631 1.213 1.606 1.00 0.00 C ATOM 394 ND1 HIS A 26 -11.301 0.955 2.780 1.00 0.00 N ATOM 395 CD2 HIS A 26 -11.574 1.650 0.738 1.00 0.00 C ATOM 396 CE1 HIS A 26 -12.576 1.220 2.628 1.00 0.00 C ATOM 397 NE2 HIS A 26 -12.771 1.643 1.401 1.00 0.00 N ATOM 0 H HIS A 26 -9.541 -0.997 -0.284 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.626 1.832 -0.455 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.860 0.128 2.036 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -8.637 1.863 1.921 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.871 0.610 3.638 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.412 1.949 -0.287 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.338 1.109 3.385 1.00 0.00 H new ATOM 406 N ILE A 27 -6.159 1.107 -0.083 1.00 0.00 N ATOM 407 CA ILE A 27 -4.754 0.707 0.067 1.00 0.00 C ATOM 408 C ILE A 27 -4.116 1.661 1.085 1.00 0.00 C ATOM 409 O ILE A 27 -3.870 2.827 0.784 1.00 0.00 O ATOM 410 CB ILE A 27 -3.968 0.767 -1.306 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.668 -0.112 -2.400 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.482 0.343 -1.118 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.040 -0.036 -3.786 1.00 0.00 C ATOM 0 H ILE A 27 -6.280 2.096 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.705 -0.328 0.406 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.982 1.801 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.659 -1.151 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.713 0.190 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.965 0.393 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.999 1.016 -0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.440 -0.677 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.594 -0.677 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.073 0.993 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.003 -0.369 -3.735 1.00 0.00 H new ATOM 425 N ARG A 28 -3.876 1.153 2.290 1.00 0.00 N ATOM 426 CA ARG A 28 -3.213 1.883 3.374 1.00 0.00 C ATOM 427 C ARG A 28 -1.738 1.479 3.391 1.00 0.00 C ATOM 428 O ARG A 28 -1.418 0.314 3.145 1.00 0.00 O ATOM 429 CB ARG A 28 -3.854 1.539 4.755 1.00 0.00 C ATOM 430 CG ARG A 28 -5.391 1.681 4.821 1.00 0.00 C ATOM 431 CD ARG A 28 -5.969 1.246 6.191 1.00 0.00 C ATOM 432 NE ARG A 28 -7.385 0.829 6.107 1.00 0.00 N ATOM 433 CZ ARG A 28 -8.179 0.562 7.161 1.00 0.00 C ATOM 434 NH1 ARG A 28 -7.794 0.838 8.401 1.00 0.00 N ATOM 435 NH2 ARG A 28 -9.371 0.035 6.965 1.00 0.00 N ATOM 0 H ARG A 28 -4.141 0.203 2.549 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.323 2.954 3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.588 0.514 5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.413 2.186 5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.665 2.718 4.627 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.842 1.079 4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.375 0.422 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.879 2.071 6.897 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.793 0.736 5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.881 1.261 8.569 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.411 0.628 9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.689 -0.169 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.976 -0.169 7.761 1.00 0.00 H new ATOM 449 N TYR A 29 -0.849 2.435 3.659 1.00 0.00 N ATOM 450 CA TYR A 29 0.550 2.143 3.985 1.00 0.00 C ATOM 451 C TYR A 29 0.875 2.835 5.313 1.00 0.00 C ATOM 452 O TYR A 29 0.743 4.054 5.439 1.00 0.00 O ATOM 453 CB TYR A 29 1.518 2.555 2.825 1.00 0.00 C ATOM 454 CG TYR A 29 1.595 4.053 2.459 1.00 0.00 C ATOM 455 CD1 TYR A 29 0.728 4.616 1.516 1.00 0.00 C ATOM 456 CD2 TYR A 29 2.555 4.896 3.040 1.00 0.00 C ATOM 457 CE1 TYR A 29 0.810 5.953 1.179 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.634 6.230 2.703 1.00 0.00 C ATOM 459 CZ TYR A 29 1.764 6.750 1.770 1.00 0.00 C ATOM 460 OH TYR A 29 1.837 8.078 1.437 1.00 0.00 O ATOM 0 H TYR A 29 -1.075 3.430 3.657 1.00 0.00 H new ATOM 0 HA TYR A 29 0.696 1.069 4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.521 2.221 3.090 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.225 2.005 1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.018 3.994 1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.245 4.491 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.128 6.372 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.374 6.864 3.168 1.00 0.00 H new ATOM 0 HH TYR A 29 2.763 8.387 1.524 1.00 0.00 H new ATOM 470 N GLU A 30 1.235 2.035 6.327 1.00 0.00 N ATOM 471 CA GLU A 30 1.510 2.527 7.683 1.00 0.00 C ATOM 472 C GLU A 30 2.905 2.050 8.101 1.00 0.00 C ATOM 473 O GLU A 30 3.122 0.850 8.269 1.00 0.00 O ATOM 474 CB GLU A 30 0.433 1.981 8.668 1.00 0.00 C ATOM 475 CG GLU A 30 -1.031 2.198 8.215 1.00 0.00 C ATOM 476 CD GLU A 30 -2.060 1.639 9.210 1.00 0.00 C ATOM 477 OE1 GLU A 30 -2.196 0.403 9.302 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.734 2.429 9.911 1.00 0.00 O ATOM 0 H GLU A 30 1.344 1.026 6.229 1.00 0.00 H new ATOM 0 HA GLU A 30 1.475 3.616 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.600 0.913 8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.573 2.458 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.208 3.265 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.179 1.724 7.245 1.00 0.00 H new ATOM 485 N VAL A 31 3.845 2.988 8.269 1.00 0.00 N ATOM 486 CA VAL A 31 5.211 2.675 8.701 1.00 0.00 C ATOM 487 C VAL A 31 5.217 2.460 10.225 1.00 0.00 C ATOM 488 O VAL A 31 4.870 3.368 10.989 1.00 0.00 O ATOM 489 CB VAL A 31 6.234 3.810 8.303 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.679 3.462 8.750 1.00 0.00 C ATOM 491 CG2 VAL A 31 6.181 4.092 6.781 1.00 0.00 C ATOM 0 H VAL A 31 3.680 3.982 8.110 1.00 0.00 H new ATOM 0 HA VAL A 31 5.532 1.766 8.192 1.00 0.00 H new ATOM 0 HB VAL A 31 5.937 4.717 8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.354 4.267 8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.706 3.341 9.833 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.994 2.534 8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.894 4.877 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.435 3.184 6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.177 4.413 6.505 1.00 0.00 H new ATOM 501 N ARG A 32 5.585 1.247 10.640 1.00 0.00 N ATOM 502 CA ARG A 32 5.757 0.855 12.049 1.00 0.00 C ATOM 503 C ARG A 32 7.207 0.351 12.197 1.00 0.00 C ATOM 504 O ARG A 32 7.844 0.000 11.199 1.00 0.00 O ATOM 505 CB ARG A 32 4.683 -0.232 12.413 1.00 0.00 C ATOM 506 CG ARG A 32 4.356 -0.411 13.929 1.00 0.00 C ATOM 507 CD ARG A 32 5.247 -1.420 14.677 1.00 0.00 C ATOM 508 NE ARG A 32 4.751 -1.669 16.052 1.00 0.00 N ATOM 509 CZ ARG A 32 5.436 -1.463 17.192 1.00 0.00 C ATOM 510 NH1 ARG A 32 6.681 -1.021 17.177 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.862 -1.709 18.356 1.00 0.00 N ATOM 0 H ARG A 32 5.778 0.485 9.990 1.00 0.00 H new ATOM 0 HA ARG A 32 5.603 1.683 12.741 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.758 0.015 11.892 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.023 -1.191 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.442 0.559 14.420 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.317 -0.727 14.025 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.278 -2.359 14.125 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.269 -1.042 14.721 1.00 0.00 H new ATOM 0 HE ARG A 32 3.801 -2.030 16.142 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.143 -0.828 16.288 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.180 -0.872 18.054 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.903 -2.054 18.389 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.378 -1.554 19.222 1.00 0.00 H new ATOM 525 N GLN A 33 7.758 0.353 13.415 1.00 0.00 N ATOM 526 CA GLN A 33 9.162 -0.038 13.652 1.00 0.00 C ATOM 527 C GLN A 33 9.226 -1.421 14.335 1.00 0.00 C ATOM 528 O GLN A 33 8.651 -1.609 15.405 1.00 0.00 O ATOM 529 CB GLN A 33 9.877 1.036 14.520 1.00 0.00 C ATOM 530 CG GLN A 33 9.735 2.499 14.029 1.00 0.00 C ATOM 531 CD GLN A 33 10.380 2.774 12.668 1.00 0.00 C ATOM 532 OE1 GLN A 33 11.558 3.102 12.585 1.00 0.00 O ATOM 533 NE2 GLN A 33 9.609 2.666 11.594 1.00 0.00 N ATOM 0 H GLN A 33 7.254 0.622 14.260 1.00 0.00 H new ATOM 0 HA GLN A 33 9.675 -0.106 12.693 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.488 0.974 15.536 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.938 0.790 14.569 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.676 2.749 13.973 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.181 3.163 14.770 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.632 2.391 11.693 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.993 2.858 10.669 1.00 0.00 H new ATOM 542 N ASN A 34 9.906 -2.386 13.694 1.00 0.00 N ATOM 543 CA ASN A 34 10.198 -3.711 14.278 1.00 0.00 C ATOM 544 C ASN A 34 11.662 -3.733 14.755 1.00 0.00 C ATOM 545 O ASN A 34 12.527 -3.121 14.126 1.00 0.00 O ATOM 546 CB ASN A 34 9.933 -4.845 13.236 1.00 0.00 C ATOM 547 CG ASN A 34 10.921 -4.877 12.062 1.00 0.00 C ATOM 548 OD1 ASN A 34 11.839 -5.664 12.049 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.779 -3.991 11.102 1.00 0.00 N ATOM 0 H ASN A 34 10.272 -2.270 12.749 1.00 0.00 H new ATOM 0 HA ASN A 34 9.539 -3.888 15.128 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.967 -5.806 13.748 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.924 -4.729 12.841 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.448 -3.961 10.333 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.000 -3.333 11.126 1.00 0.00 H new ATOM 556 N ALA A 35 11.939 -4.441 15.858 1.00 0.00 N ATOM 557 CA ALA A 35 13.305 -4.559 16.431 1.00 0.00 C ATOM 558 C ALA A 35 14.266 -5.354 15.516 1.00 0.00 C ATOM 559 O ALA A 35 15.491 -5.266 15.663 1.00 0.00 O ATOM 560 CB ALA A 35 13.225 -5.208 17.824 1.00 0.00 C ATOM 0 H ALA A 35 11.230 -4.951 16.385 1.00 0.00 H new ATOM 0 HA ALA A 35 13.716 -3.553 16.515 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.227 -5.294 18.243 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.610 -4.590 18.478 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.781 -6.200 17.738 1.00 0.00 H new ATOM 566 N GLU A 36 13.692 -6.122 14.576 1.00 0.00 N ATOM 567 CA GLU A 36 14.441 -7.048 13.704 1.00 0.00 C ATOM 568 C GLU A 36 15.255 -6.312 12.610 1.00 0.00 C ATOM 569 O GLU A 36 16.442 -6.606 12.414 1.00 0.00 O ATOM 570 CB GLU A 36 13.443 -8.076 13.090 1.00 0.00 C ATOM 571 CG GLU A 36 13.997 -8.962 11.960 1.00 0.00 C ATOM 572 CD GLU A 36 12.980 -9.996 11.441 1.00 0.00 C ATOM 573 OE1 GLU A 36 12.877 -11.090 12.031 1.00 0.00 O ATOM 574 OE2 GLU A 36 12.274 -9.715 10.446 1.00 0.00 O ATOM 0 H GLU A 36 12.688 -6.119 14.397 1.00 0.00 H new ATOM 0 HA GLU A 36 15.180 -7.574 14.309 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.082 -8.724 13.889 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.580 -7.531 12.707 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.314 -8.327 11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.884 -9.484 12.319 1.00 0.00 H new ATOM 581 N SER A 37 14.620 -5.354 11.920 1.00 0.00 N ATOM 582 CA SER A 37 15.205 -4.670 10.737 1.00 0.00 C ATOM 583 C SER A 37 14.993 -3.139 10.802 1.00 0.00 C ATOM 584 O SER A 37 15.541 -2.395 9.976 1.00 0.00 O ATOM 585 CB SER A 37 14.586 -5.262 9.445 1.00 0.00 C ATOM 586 OG SER A 37 15.199 -4.744 8.270 1.00 0.00 O ATOM 0 H SER A 37 13.685 -5.025 12.159 1.00 0.00 H new ATOM 0 HA SER A 37 16.282 -4.841 10.732 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.689 -6.347 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.518 -5.044 9.422 1.00 0.00 H new ATOM 0 HG SER A 37 15.643 -3.896 8.479 1.00 0.00 H new ATOM 592 N GLY A 38 14.198 -2.679 11.787 1.00 0.00 N ATOM 593 CA GLY A 38 13.920 -1.253 11.981 1.00 0.00 C ATOM 594 C GLY A 38 12.601 -0.853 11.337 1.00 0.00 C ATOM 595 O GLY A 38 11.568 -1.425 11.655 1.00 0.00 O ATOM 0 H GLY A 38 13.735 -3.286 12.464 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.889 -1.028 13.047 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.730 -0.661 11.554 1.00 0.00 H new ATOM 599 N ALA A 39 12.639 0.130 10.436 1.00 0.00 N ATOM 600 CA ALA A 39 11.441 0.591 9.714 1.00 0.00 C ATOM 601 C ALA A 39 10.872 -0.511 8.782 1.00 0.00 C ATOM 602 O ALA A 39 11.605 -1.105 7.986 1.00 0.00 O ATOM 603 CB ALA A 39 11.756 1.873 8.913 1.00 0.00 C ATOM 0 H ALA A 39 13.492 0.629 10.184 1.00 0.00 H new ATOM 0 HA ALA A 39 10.675 0.818 10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.861 2.201 8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.083 2.657 9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.547 1.667 8.192 1.00 0.00 H new ATOM 609 N TYR A 40 9.562 -0.772 8.912 1.00 0.00 N ATOM 610 CA TYR A 40 8.800 -1.643 7.991 1.00 0.00 C ATOM 611 C TYR A 40 7.426 -1.007 7.772 1.00 0.00 C ATOM 612 O TYR A 40 7.013 -0.144 8.549 1.00 0.00 O ATOM 613 CB TYR A 40 8.672 -3.120 8.514 1.00 0.00 C ATOM 614 CG TYR A 40 7.566 -3.399 9.563 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.729 -3.049 10.899 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.363 -4.032 9.208 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.756 -3.315 11.840 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.385 -4.295 10.150 1.00 0.00 C ATOM 619 CZ TYR A 40 5.588 -3.931 11.465 1.00 0.00 C ATOM 620 OH TYR A 40 4.628 -4.202 12.415 1.00 0.00 O ATOM 0 H TYR A 40 8.993 -0.383 9.664 1.00 0.00 H new ATOM 0 HA TYR A 40 9.340 -1.719 7.047 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.498 -3.770 7.656 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.630 -3.411 8.945 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.640 -2.557 11.207 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.199 -4.319 8.180 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.913 -3.039 12.872 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.467 -4.783 9.857 1.00 0.00 H new ATOM 0 HH TYR A 40 3.861 -4.639 11.990 1.00 0.00 H new ATOM 630 N VAL A 41 6.719 -1.417 6.715 1.00 0.00 N ATOM 631 CA VAL A 41 5.384 -0.881 6.407 1.00 0.00 C ATOM 632 C VAL A 41 4.341 -2.011 6.434 1.00 0.00 C ATOM 633 O VAL A 41 4.516 -3.042 5.777 1.00 0.00 O ATOM 634 CB VAL A 41 5.333 -0.165 5.003 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.005 0.603 4.819 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.538 0.772 4.780 1.00 0.00 C ATOM 0 H VAL A 41 7.048 -2.121 6.054 1.00 0.00 H new ATOM 0 HA VAL A 41 5.157 -0.138 7.171 1.00 0.00 H new ATOM 0 HB VAL A 41 5.388 -0.949 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.997 1.087 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.169 -0.094 4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.910 1.358 5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.457 1.241 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.548 1.542 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.462 0.195 4.831 1.00 0.00 H new ATOM 646 N HIS A 42 3.271 -1.796 7.211 1.00 0.00 N ATOM 647 CA HIS A 42 2.050 -2.597 7.160 1.00 0.00 C ATOM 648 C HIS A 42 1.172 -2.022 6.042 1.00 0.00 C ATOM 649 O HIS A 42 0.639 -0.911 6.176 1.00 0.00 O ATOM 650 CB HIS A 42 1.309 -2.549 8.539 1.00 0.00 C ATOM 651 CG HIS A 42 -0.149 -2.997 8.526 1.00 0.00 C ATOM 652 ND1 HIS A 42 -1.145 -2.313 9.186 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.767 -4.053 7.932 1.00 0.00 C ATOM 654 CE1 HIS A 42 -2.297 -2.929 9.009 1.00 0.00 C ATOM 655 NE2 HIS A 42 -2.096 -3.981 8.250 1.00 0.00 N ATOM 0 H HIS A 42 3.233 -1.047 7.903 1.00 0.00 H new ATOM 0 HA HIS A 42 2.280 -3.643 6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.855 -3.174 9.245 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.352 -1.528 8.918 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -1.012 -1.460 9.729 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.296 -4.809 7.322 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.247 -2.620 9.420 1.00 0.00 H new ATOM 664 N PHE A 43 1.058 -2.758 4.932 1.00 0.00 N ATOM 665 CA PHE A 43 0.152 -2.398 3.836 1.00 0.00 C ATOM 666 C PHE A 43 -1.161 -3.158 4.045 1.00 0.00 C ATOM 667 O PHE A 43 -1.181 -4.391 4.031 1.00 0.00 O ATOM 668 CB PHE A 43 0.760 -2.746 2.459 1.00 0.00 C ATOM 669 CG PHE A 43 2.097 -2.074 2.148 1.00 0.00 C ATOM 670 CD1 PHE A 43 2.141 -0.793 1.603 1.00 0.00 C ATOM 671 CD2 PHE A 43 3.305 -2.733 2.377 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.350 -0.188 1.306 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.508 -2.129 2.080 1.00 0.00 C ATOM 674 CZ PHE A 43 4.533 -0.857 1.541 1.00 0.00 C ATOM 0 H PHE A 43 1.587 -3.614 4.768 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.019 -1.322 3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.893 -3.826 2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.045 -2.471 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.219 -0.265 1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.298 -3.730 2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.367 0.809 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.434 -2.652 2.269 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.477 -0.388 1.304 1.00 0.00 H new ATOM 684 N ASP A 44 -2.237 -2.417 4.264 1.00 0.00 N ATOM 685 CA ASP A 44 -3.567 -2.970 4.554 1.00 0.00 C ATOM 686 C ASP A 44 -4.477 -2.700 3.352 1.00 0.00 C ATOM 687 O ASP A 44 -4.440 -1.602 2.813 1.00 0.00 O ATOM 688 CB ASP A 44 -4.118 -2.288 5.829 1.00 0.00 C ATOM 689 CG ASP A 44 -5.438 -2.891 6.316 1.00 0.00 C ATOM 690 OD1 ASP A 44 -5.394 -3.887 7.074 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.522 -2.385 5.948 1.00 0.00 O ATOM 0 H ASP A 44 -2.218 -1.397 4.247 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.518 -4.045 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.376 -2.366 6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.263 -1.226 5.631 1.00 0.00 H new ATOM 696 N MET A 45 -5.257 -3.696 2.889 1.00 0.00 N ATOM 697 CA MET A 45 -6.236 -3.500 1.798 1.00 0.00 C ATOM 698 C MET A 45 -7.614 -4.048 2.205 1.00 0.00 C ATOM 699 O MET A 45 -7.718 -5.193 2.615 1.00 0.00 O ATOM 700 CB MET A 45 -5.746 -4.198 0.495 1.00 0.00 C ATOM 701 CG MET A 45 -4.447 -3.624 -0.098 1.00 0.00 C ATOM 702 SD MET A 45 -3.939 -4.461 -1.616 1.00 0.00 S ATOM 703 CE MET A 45 -5.341 -4.146 -2.689 1.00 0.00 C ATOM 0 H MET A 45 -5.229 -4.648 3.254 1.00 0.00 H new ATOM 0 HA MET A 45 -6.328 -2.430 1.609 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.597 -5.258 0.702 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.533 -4.128 -0.256 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.585 -2.562 -0.303 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.649 -3.705 0.640 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.128 -4.528 -3.687 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.224 -4.645 -2.290 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.524 -3.073 -2.742 1.00 0.00 H new ATOM 713 N ASP A 46 -8.674 -3.232 2.051 1.00 0.00 N ATOM 714 CA ASP A 46 -10.067 -3.644 2.361 1.00 0.00 C ATOM 715 C ASP A 46 -11.051 -2.887 1.445 1.00 0.00 C ATOM 716 O ASP A 46 -10.740 -1.802 0.977 1.00 0.00 O ATOM 717 CB ASP A 46 -10.412 -3.403 3.870 1.00 0.00 C ATOM 718 CG ASP A 46 -10.679 -1.930 4.250 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.730 -1.137 4.316 1.00 0.00 O ATOM 720 OD2 ASP A 46 -11.846 -1.556 4.473 1.00 0.00 O ATOM 0 H ASP A 46 -8.596 -2.274 1.711 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.160 -4.714 2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.292 -3.994 4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.589 -3.777 4.480 1.00 0.00 H new ATOM 725 N GLY A 47 -12.223 -3.471 1.183 1.00 0.00 N ATOM 726 CA GLY A 47 -13.253 -2.828 0.351 1.00 0.00 C ATOM 727 C GLY A 47 -14.380 -3.789 0.047 1.00 0.00 C ATOM 728 O GLY A 47 -14.682 -4.621 0.892 1.00 0.00 O ATOM 0 H GLY A 47 -12.486 -4.391 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.646 -1.951 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.807 -2.478 -0.580 1.00 0.00 H new ATOM 732 N GLU A 48 -15.002 -3.704 -1.152 1.00 0.00 N ATOM 733 CA GLU A 48 -16.014 -4.691 -1.588 1.00 0.00 C ATOM 734 C GLU A 48 -16.079 -4.816 -3.131 1.00 0.00 C ATOM 735 O GLU A 48 -16.464 -3.883 -3.845 1.00 0.00 O ATOM 736 CB GLU A 48 -17.400 -4.350 -0.981 1.00 0.00 C ATOM 737 CG GLU A 48 -17.921 -2.921 -1.264 1.00 0.00 C ATOM 738 CD GLU A 48 -19.074 -2.508 -0.335 1.00 0.00 C ATOM 739 OE1 GLU A 48 -20.204 -2.992 -0.521 1.00 0.00 O ATOM 740 OE2 GLU A 48 -18.848 -1.706 0.597 1.00 0.00 O ATOM 0 H GLU A 48 -14.821 -2.965 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.709 -5.668 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.129 -5.065 -1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.349 -4.491 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.100 -2.212 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.256 -2.861 -2.299 1.00 0.00 H new ATOM 747 N ILE A 49 -15.603 -5.979 -3.613 1.00 0.00 N ATOM 748 CA ILE A 49 -15.637 -6.325 -5.060 1.00 0.00 C ATOM 749 C ILE A 49 -16.775 -7.304 -5.380 1.00 0.00 C ATOM 750 O ILE A 49 -16.882 -8.354 -4.749 1.00 0.00 O ATOM 751 CB ILE A 49 -14.271 -6.902 -5.576 1.00 0.00 C ATOM 752 CG1 ILE A 49 -13.109 -5.885 -5.305 1.00 0.00 C ATOM 753 CG2 ILE A 49 -14.362 -7.266 -7.084 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.743 -6.317 -5.814 1.00 0.00 C ATOM 0 H ILE A 49 -15.188 -6.702 -3.025 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.820 -5.389 -5.587 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.052 -7.818 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.367 -4.931 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.041 -5.712 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.405 -7.664 -7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -15.139 -8.016 -7.231 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.607 -6.373 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.007 -5.548 -5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.455 -7.253 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.786 -6.460 -6.894 1.00 0.00 H new ATOM 766 N ASP A 50 -17.587 -6.926 -6.399 1.00 0.00 N ATOM 767 CA ASP A 50 -18.867 -7.575 -6.761 1.00 0.00 C ATOM 768 C ASP A 50 -19.882 -7.342 -5.613 1.00 0.00 C ATOM 769 O ASP A 50 -20.869 -8.061 -5.455 1.00 0.00 O ATOM 770 CB ASP A 50 -18.662 -9.088 -7.122 1.00 0.00 C ATOM 771 CG ASP A 50 -19.917 -9.792 -7.680 1.00 0.00 C ATOM 772 OD1 ASP A 50 -20.413 -9.371 -8.749 1.00 0.00 O ATOM 773 OD2 ASP A 50 -20.419 -10.756 -7.054 1.00 0.00 O ATOM 0 H ASP A 50 -17.361 -6.139 -7.007 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.275 -7.125 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.861 -9.167 -7.856 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.330 -9.619 -6.230 1.00 0.00 H new ATOM 778 N GLY A 51 -19.630 -6.261 -4.836 1.00 0.00 N ATOM 779 CA GLY A 51 -20.394 -5.950 -3.628 1.00 0.00 C ATOM 780 C GLY A 51 -19.969 -6.781 -2.420 1.00 0.00 C ATOM 781 O GLY A 51 -20.560 -6.656 -1.343 1.00 0.00 O ATOM 0 H GLY A 51 -18.890 -5.588 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.276 -4.892 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.453 -6.118 -3.822 1.00 0.00 H new ATOM 785 N LYS A 52 -18.925 -7.619 -2.601 1.00 0.00 N ATOM 786 CA LYS A 52 -18.467 -8.600 -1.605 1.00 0.00 C ATOM 787 C LYS A 52 -17.279 -8.049 -0.801 1.00 0.00 C ATOM 788 O LYS A 52 -16.175 -7.915 -1.360 1.00 0.00 O ATOM 789 CB LYS A 52 -18.070 -9.913 -2.323 1.00 0.00 C ATOM 790 CG LYS A 52 -19.210 -10.535 -3.165 1.00 0.00 C ATOM 791 CD LYS A 52 -18.855 -11.919 -3.757 1.00 0.00 C ATOM 792 CE LYS A 52 -17.660 -11.881 -4.727 1.00 0.00 C ATOM 793 NZ LYS A 52 -17.472 -13.182 -5.421 1.00 0.00 N ATOM 0 H LYS A 52 -18.371 -7.629 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.279 -8.801 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.217 -9.717 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.744 -10.639 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -20.099 -10.632 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.463 -9.855 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.630 -12.608 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.725 -12.316 -4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.816 -11.094 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.753 -11.628 -4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.658 -13.117 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.298 -13.929 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.328 -13.412 -5.966 1.00 0.00 H new ATOM 807 N PRO A 53 -17.478 -7.731 0.525 1.00 0.00 N ATOM 808 CA PRO A 53 -16.422 -7.144 1.377 1.00 0.00 C ATOM 809 C PRO A 53 -15.219 -8.094 1.567 1.00 0.00 C ATOM 810 O PRO A 53 -15.390 -9.314 1.668 1.00 0.00 O ATOM 811 CB PRO A 53 -17.153 -6.840 2.714 1.00 0.00 C ATOM 812 CG PRO A 53 -18.316 -7.780 2.732 1.00 0.00 C ATOM 813 CD PRO A 53 -18.748 -7.915 1.289 1.00 0.00 C ATOM 0 HA PRO A 53 -15.979 -6.253 0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.498 -7.004 3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.482 -5.802 2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.033 -8.746 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.126 -7.391 3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.196 -8.889 1.094 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.490 -7.163 1.020 1.00 0.00 H new ATOM 821 N PHE A 54 -14.009 -7.512 1.615 1.00 0.00 N ATOM 822 CA PHE A 54 -12.748 -8.267 1.755 1.00 0.00 C ATOM 823 C PHE A 54 -11.763 -7.471 2.606 1.00 0.00 C ATOM 824 O PHE A 54 -11.861 -6.245 2.680 1.00 0.00 O ATOM 825 CB PHE A 54 -12.120 -8.597 0.365 1.00 0.00 C ATOM 826 CG PHE A 54 -11.502 -7.413 -0.403 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.298 -6.540 -1.142 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.119 -7.185 -0.383 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.736 -5.481 -1.836 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.563 -6.125 -1.075 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.372 -5.273 -1.799 1.00 0.00 C ATOM 0 H PHE A 54 -13.875 -6.502 1.558 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.971 -9.213 2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.347 -9.352 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.891 -9.046 -0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.367 -6.691 -1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.479 -7.847 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.367 -4.816 -2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.495 -5.964 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.938 -4.443 -2.337 1.00 0.00 H new ATOM 841 N SER A 55 -10.821 -8.180 3.243 1.00 0.00 N ATOM 842 CA SER A 55 -9.744 -7.567 4.028 1.00 0.00 C ATOM 843 C SER A 55 -8.482 -8.450 3.965 1.00 0.00 C ATOM 844 O SER A 55 -8.547 -9.667 4.171 1.00 0.00 O ATOM 845 CB SER A 55 -10.192 -7.349 5.490 1.00 0.00 C ATOM 846 OG SER A 55 -11.287 -6.445 5.579 1.00 0.00 O ATOM 0 H SER A 55 -10.786 -9.199 3.227 1.00 0.00 H new ATOM 0 HA SER A 55 -9.508 -6.592 3.603 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.474 -8.306 5.930 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.355 -6.964 6.073 1.00 0.00 H new ATOM 0 HG SER A 55 -11.543 -6.333 6.518 1.00 0.00 H new ATOM 852 N ASP A 56 -7.346 -7.807 3.669 1.00 0.00 N ATOM 853 CA ASP A 56 -6.019 -8.434 3.517 1.00 0.00 C ATOM 854 C ASP A 56 -4.949 -7.498 4.100 1.00 0.00 C ATOM 855 O ASP A 56 -5.186 -6.296 4.267 1.00 0.00 O ATOM 856 CB ASP A 56 -5.689 -8.708 2.018 1.00 0.00 C ATOM 857 CG ASP A 56 -6.575 -9.786 1.371 1.00 0.00 C ATOM 858 OD1 ASP A 56 -6.259 -10.989 1.519 1.00 0.00 O ATOM 859 OD2 ASP A 56 -7.582 -9.447 0.708 1.00 0.00 O ATOM 0 H ASP A 56 -7.320 -6.798 3.522 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.029 -9.386 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.796 -7.779 1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.645 -9.012 1.936 1.00 0.00 H new ATOM 864 N SER A 57 -3.773 -8.060 4.408 1.00 0.00 N ATOM 865 CA SER A 57 -2.592 -7.292 4.841 1.00 0.00 C ATOM 866 C SER A 57 -1.306 -8.008 4.382 1.00 0.00 C ATOM 867 O SER A 57 -1.213 -9.241 4.452 1.00 0.00 O ATOM 868 CB SER A 57 -2.585 -7.105 6.383 1.00 0.00 C ATOM 869 OG SER A 57 -3.734 -6.407 6.853 1.00 0.00 O ATOM 0 H SER A 57 -3.610 -9.066 4.364 1.00 0.00 H new ATOM 0 HA SER A 57 -2.635 -6.304 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.535 -8.082 6.864 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.688 -6.560 6.676 1.00 0.00 H new ATOM 0 HG SER A 57 -3.453 -5.607 7.345 1.00 0.00 H new ATOM 875 N PHE A 58 -0.333 -7.223 3.901 1.00 0.00 N ATOM 876 CA PHE A 58 1.019 -7.691 3.552 1.00 0.00 C ATOM 877 C PHE A 58 2.027 -6.664 4.081 1.00 0.00 C ATOM 878 O PHE A 58 1.840 -5.456 3.914 1.00 0.00 O ATOM 879 CB PHE A 58 1.179 -7.929 2.018 1.00 0.00 C ATOM 880 CG PHE A 58 0.862 -6.735 1.104 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.450 -6.458 0.715 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.880 -5.901 0.624 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.734 -5.392 -0.122 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.592 -4.838 -0.213 1.00 0.00 C ATOM 885 CZ PHE A 58 0.285 -4.581 -0.584 1.00 0.00 C ATOM 0 H PHE A 58 -0.464 -6.224 3.740 1.00 0.00 H new ATOM 0 HA PHE A 58 1.202 -8.660 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.205 -8.243 1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.533 -8.759 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.255 -7.084 1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.904 -6.091 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.755 -5.194 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.390 -4.208 -0.577 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.061 -3.748 -1.234 1.00 0.00 H new ATOM 895 N GLU A 59 3.077 -7.148 4.753 1.00 0.00 N ATOM 896 CA GLU A 59 4.065 -6.293 5.427 1.00 0.00 C ATOM 897 C GLU A 59 5.412 -6.449 4.724 1.00 0.00 C ATOM 898 O GLU A 59 5.910 -7.567 4.565 1.00 0.00 O ATOM 899 CB GLU A 59 4.189 -6.630 6.948 1.00 0.00 C ATOM 900 CG GLU A 59 2.945 -6.287 7.808 1.00 0.00 C ATOM 901 CD GLU A 59 1.732 -7.212 7.578 1.00 0.00 C ATOM 902 OE1 GLU A 59 1.808 -8.400 7.943 1.00 0.00 O ATOM 903 OE2 GLU A 59 0.699 -6.758 7.048 1.00 0.00 O ATOM 0 H GLU A 59 3.268 -8.146 4.846 1.00 0.00 H new ATOM 0 HA GLU A 59 3.732 -5.257 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.399 -7.695 7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.048 -6.095 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.224 -6.330 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.647 -5.260 7.599 1.00 0.00 H new ATOM 910 N LEU A 60 5.986 -5.322 4.294 1.00 0.00 N ATOM 911 CA LEU A 60 7.265 -5.282 3.578 1.00 0.00 C ATOM 912 C LEU A 60 8.189 -4.288 4.311 1.00 0.00 C ATOM 913 O LEU A 60 7.780 -3.142 4.529 1.00 0.00 O ATOM 914 CB LEU A 60 7.054 -4.843 2.100 1.00 0.00 C ATOM 915 CG LEU A 60 6.069 -5.696 1.232 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.871 -5.074 -0.173 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.543 -7.164 1.131 1.00 0.00 C ATOM 0 H LEU A 60 5.571 -4.401 4.435 1.00 0.00 H new ATOM 0 HA LEU A 60 7.716 -6.274 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.697 -3.813 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.026 -4.843 1.606 1.00 0.00 H new ATOM 0 HG LEU A 60 5.101 -5.692 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.182 -5.691 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.461 -4.069 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.831 -5.024 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.840 -7.732 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.530 -7.197 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.594 -7.599 2.129 1.00 0.00 H new ATOM 929 N PRO A 61 9.434 -4.705 4.724 1.00 0.00 N ATOM 930 CA PRO A 61 10.421 -3.792 5.368 1.00 0.00 C ATOM 931 C PRO A 61 10.885 -2.675 4.417 1.00 0.00 C ATOM 932 O PRO A 61 10.612 -2.739 3.232 1.00 0.00 O ATOM 933 CB PRO A 61 11.581 -4.751 5.753 1.00 0.00 C ATOM 934 CG PRO A 61 11.465 -5.884 4.784 1.00 0.00 C ATOM 935 CD PRO A 61 9.979 -6.086 4.597 1.00 0.00 C ATOM 0 HA PRO A 61 10.010 -3.255 6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.549 -4.256 5.672 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.485 -5.097 6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.953 -5.647 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.940 -6.785 5.171 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.750 -6.522 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.564 -6.754 5.352 1.00 0.00 H new ATOM 943 N ARG A 62 11.554 -1.642 4.964 1.00 0.00 N ATOM 944 CA ARG A 62 12.183 -0.541 4.169 1.00 0.00 C ATOM 945 C ARG A 62 13.035 -1.066 2.972 1.00 0.00 C ATOM 946 O ARG A 62 13.191 -0.378 1.956 1.00 0.00 O ATOM 947 CB ARG A 62 13.041 0.354 5.114 1.00 0.00 C ATOM 948 CG ARG A 62 13.675 1.602 4.449 1.00 0.00 C ATOM 949 CD ARG A 62 14.392 2.518 5.451 1.00 0.00 C ATOM 950 NE ARG A 62 14.945 3.719 4.790 1.00 0.00 N ATOM 951 CZ ARG A 62 15.424 4.804 5.415 1.00 0.00 C ATOM 952 NH1 ARG A 62 15.382 4.917 6.736 1.00 0.00 N ATOM 953 NH2 ARG A 62 15.939 5.784 4.705 1.00 0.00 N ATOM 0 H ARG A 62 11.680 -1.537 5.971 1.00 0.00 H new ATOM 0 HA ARG A 62 11.380 0.050 3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.415 0.683 5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.838 -0.255 5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.385 1.280 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.897 2.170 3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.695 2.820 6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.197 1.967 5.938 1.00 0.00 H new ATOM 0 HE ARG A 62 14.964 3.723 3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.979 4.168 7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.753 5.753 7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.971 5.714 3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.306 6.614 5.171 1.00 0.00 H new ATOM 967 N ASP A 63 13.537 -2.304 3.109 1.00 0.00 N ATOM 968 CA ASP A 63 14.323 -3.001 2.069 1.00 0.00 C ATOM 969 C ASP A 63 13.474 -3.363 0.818 1.00 0.00 C ATOM 970 O ASP A 63 13.967 -3.277 -0.313 1.00 0.00 O ATOM 971 CB ASP A 63 14.949 -4.288 2.670 1.00 0.00 C ATOM 972 CG ASP A 63 15.923 -5.013 1.716 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.026 -4.482 1.471 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.597 -6.114 1.215 1.00 0.00 O ATOM 0 H ASP A 63 13.409 -2.859 3.955 1.00 0.00 H new ATOM 0 HA ASP A 63 15.104 -2.317 1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.479 -4.029 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.149 -4.974 2.947 1.00 0.00 H new ATOM 979 N THR A 64 12.195 -3.752 1.026 1.00 0.00 N ATOM 980 CA THR A 64 11.329 -4.327 -0.040 1.00 0.00 C ATOM 981 C THR A 64 9.953 -3.615 -0.123 1.00 0.00 C ATOM 982 O THR A 64 9.097 -4.027 -0.912 1.00 0.00 O ATOM 983 CB THR A 64 11.098 -5.860 0.196 1.00 0.00 C ATOM 984 OG1 THR A 64 10.470 -6.054 1.465 1.00 0.00 O ATOM 985 CG2 THR A 64 12.406 -6.672 0.150 1.00 0.00 C ATOM 0 H THR A 64 11.732 -3.678 1.932 1.00 0.00 H new ATOM 0 HA THR A 64 11.854 -4.173 -0.983 1.00 0.00 H new ATOM 0 HB THR A 64 10.461 -6.220 -0.613 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.323 -7.011 1.614 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.186 -7.726 0.320 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.875 -6.552 -0.827 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.084 -6.314 0.925 1.00 0.00 H new ATOM 993 N ALA A 65 9.769 -2.540 0.678 1.00 0.00 N ATOM 994 CA ALA A 65 8.497 -1.773 0.769 1.00 0.00 C ATOM 995 C ALA A 65 8.034 -1.252 -0.601 1.00 0.00 C ATOM 996 O ALA A 65 6.851 -1.274 -0.921 1.00 0.00 O ATOM 997 CB ALA A 65 8.650 -0.606 1.763 1.00 0.00 C ATOM 0 H ALA A 65 10.503 -2.175 1.285 1.00 0.00 H new ATOM 0 HA ALA A 65 7.729 -2.457 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.713 -0.052 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.901 -0.998 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.444 0.059 1.424 1.00 0.00 H new ATOM 1003 N PHE A 66 9.016 -0.821 -1.389 1.00 0.00 N ATOM 1004 CA PHE A 66 8.824 -0.202 -2.719 1.00 0.00 C ATOM 1005 C PHE A 66 8.365 -1.197 -3.817 1.00 0.00 C ATOM 1006 O PHE A 66 8.170 -0.793 -4.969 1.00 0.00 O ATOM 1007 CB PHE A 66 10.137 0.501 -3.130 1.00 0.00 C ATOM 1008 CG PHE A 66 10.700 1.401 -2.030 1.00 0.00 C ATOM 1009 CD1 PHE A 66 10.013 2.543 -1.622 1.00 0.00 C ATOM 1010 CD2 PHE A 66 11.893 1.080 -1.379 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.503 3.335 -0.611 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.378 1.871 -0.364 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.685 2.997 0.020 1.00 0.00 C ATOM 0 H PHE A 66 9.998 -0.890 -1.122 1.00 0.00 H new ATOM 0 HA PHE A 66 8.010 0.518 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.880 -0.252 -3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 66 9.959 1.097 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.085 2.809 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.442 0.199 -1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.964 4.221 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.301 1.609 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.066 3.618 0.817 1.00 0.00 H new ATOM 1023 N ASN A 67 8.184 -2.482 -3.459 1.00 0.00 N ATOM 1024 CA ASN A 67 7.634 -3.522 -4.370 1.00 0.00 C ATOM 1025 C ASN A 67 6.106 -3.653 -4.201 1.00 0.00 C ATOM 1026 O ASN A 67 5.469 -4.462 -4.893 1.00 0.00 O ATOM 1027 CB ASN A 67 8.312 -4.895 -4.089 1.00 0.00 C ATOM 1028 CG ASN A 67 9.797 -4.915 -4.451 1.00 0.00 C ATOM 1029 OD1 ASN A 67 10.174 -5.258 -5.569 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.648 -4.519 -3.515 1.00 0.00 N ATOM 0 H ASN A 67 8.413 -2.836 -2.530 1.00 0.00 H new ATOM 0 HA ASN A 67 7.844 -3.218 -5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.198 -5.141 -3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.796 -5.671 -4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.648 -4.493 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.303 -4.241 -2.597 1.00 0.00 H new ATOM 1037 N PHE A 68 5.543 -2.839 -3.281 1.00 0.00 N ATOM 1038 CA PHE A 68 4.133 -2.921 -2.855 1.00 0.00 C ATOM 1039 C PHE A 68 3.128 -2.851 -4.011 1.00 0.00 C ATOM 1040 O PHE A 68 2.087 -3.477 -3.919 1.00 0.00 O ATOM 1041 CB PHE A 68 3.800 -1.818 -1.819 1.00 0.00 C ATOM 1042 CG PHE A 68 3.721 -0.384 -2.376 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.876 0.350 -2.649 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.486 0.222 -2.624 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.802 1.635 -3.149 1.00 0.00 C ATOM 1046 CE2 PHE A 68 2.417 1.503 -3.126 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.572 2.209 -3.388 1.00 0.00 C ATOM 0 H PHE A 68 6.063 -2.099 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 68 4.029 -3.907 -2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.846 -2.060 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.555 -1.842 -1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.843 -0.094 -2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.575 -0.321 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.706 2.189 -3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.455 1.956 -3.315 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.513 3.213 -3.781 1.00 0.00 H new ATOM 1057 N ALA A 69 3.427 -2.078 -5.084 1.00 0.00 N ATOM 1058 CA ALA A 69 2.484 -1.871 -6.214 1.00 0.00 C ATOM 1059 C ALA A 69 2.069 -3.184 -6.881 1.00 0.00 C ATOM 1060 O ALA A 69 0.932 -3.322 -7.327 1.00 0.00 O ATOM 1061 CB ALA A 69 3.096 -0.932 -7.263 1.00 0.00 C ATOM 0 H ALA A 69 4.314 -1.587 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 69 1.588 -1.417 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.391 -0.793 -8.082 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.315 0.032 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.018 -1.368 -7.648 1.00 0.00 H new ATOM 1067 N SER A 70 2.997 -4.145 -6.913 1.00 0.00 N ATOM 1068 CA SER A 70 2.781 -5.443 -7.557 1.00 0.00 C ATOM 1069 C SER A 70 1.833 -6.308 -6.697 1.00 0.00 C ATOM 1070 O SER A 70 0.972 -7.013 -7.227 1.00 0.00 O ATOM 1071 CB SER A 70 4.145 -6.131 -7.775 1.00 0.00 C ATOM 1072 OG SER A 70 5.023 -5.294 -8.522 1.00 0.00 O ATOM 0 H SER A 70 3.921 -4.044 -6.492 1.00 0.00 H new ATOM 0 HA SER A 70 2.306 -5.307 -8.529 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.595 -6.369 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.001 -7.075 -8.301 1.00 0.00 H new ATOM 0 HG SER A 70 5.882 -5.749 -8.647 1.00 0.00 H new ATOM 1078 N ASP A 71 2.011 -6.233 -5.356 1.00 0.00 N ATOM 1079 CA ASP A 71 1.149 -6.938 -4.376 1.00 0.00 C ATOM 1080 C ASP A 71 -0.246 -6.286 -4.287 1.00 0.00 C ATOM 1081 O ASP A 71 -1.250 -6.962 -4.372 1.00 0.00 O ATOM 1082 CB ASP A 71 1.804 -6.943 -2.975 1.00 0.00 C ATOM 1083 CG ASP A 71 3.204 -7.559 -2.961 1.00 0.00 C ATOM 1084 OD1 ASP A 71 3.316 -8.798 -3.079 1.00 0.00 O ATOM 1085 OD2 ASP A 71 4.197 -6.808 -2.861 1.00 0.00 O ATOM 0 H ASP A 71 2.754 -5.684 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 71 1.034 -7.965 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.862 -5.919 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.165 -7.495 -2.285 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.260 -4.966 -4.054 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.473 -4.105 -4.088 1.00 0.00 C ATOM 1092 C ALA A 72 -2.330 -4.312 -5.362 1.00 0.00 C ATOM 1093 O ALA A 72 -3.545 -4.132 -5.328 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.069 -2.626 -3.933 1.00 0.00 C ATOM 0 H ALA A 72 0.588 -4.445 -3.830 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.102 -4.402 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.961 -2.000 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.556 -2.487 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.404 -2.343 -4.749 1.00 0.00 H new ATOM 1100 N THR A 73 -1.677 -4.672 -6.480 1.00 0.00 N ATOM 1101 CA THR A 73 -2.385 -5.058 -7.720 1.00 0.00 C ATOM 1102 C THR A 73 -2.844 -6.536 -7.650 1.00 0.00 C ATOM 1103 O THR A 73 -3.967 -6.850 -8.047 1.00 0.00 O ATOM 1104 CB THR A 73 -1.521 -4.818 -9.001 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.166 -3.428 -9.081 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.261 -5.222 -10.300 1.00 0.00 C ATOM 0 H THR A 73 -0.660 -4.705 -6.554 1.00 0.00 H new ATOM 0 HA THR A 73 -3.261 -4.415 -7.797 1.00 0.00 H new ATOM 0 HB THR A 73 -0.633 -5.445 -8.916 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.486 -3.225 -8.405 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.617 -5.035 -11.159 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.514 -6.281 -10.260 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.174 -4.634 -10.397 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.973 -7.423 -7.121 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.234 -8.884 -7.056 1.00 0.00 C ATOM 1116 C ARG A 74 -3.452 -9.207 -6.152 1.00 0.00 C ATOM 1117 O ARG A 74 -4.287 -10.034 -6.506 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.966 -9.648 -6.573 1.00 0.00 C ATOM 1119 CG ARG A 74 -1.095 -11.191 -6.607 1.00 0.00 C ATOM 1120 CD ARG A 74 0.170 -11.925 -6.115 1.00 0.00 C ATOM 1121 NE ARG A 74 1.341 -11.704 -6.987 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.490 -12.405 -6.927 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.663 -13.354 -6.019 1.00 0.00 N ATOM 1124 NH2 ARG A 74 3.466 -12.141 -7.776 1.00 0.00 N ATOM 0 H ARG A 74 -1.072 -7.151 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.477 -9.222 -8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.121 -9.353 -7.194 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.736 -9.337 -5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.942 -11.491 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.315 -11.507 -7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.408 -11.591 -5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.036 -12.994 -6.057 1.00 0.00 H new ATOM 0 HE ARG A 74 1.275 -10.965 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.920 -13.563 -5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.539 -13.876 -5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.349 -11.408 -8.475 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.337 -12.670 -7.733 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.541 -8.519 -5.000 1.00 0.00 N ATOM 1139 CA VAL A 75 -4.666 -8.627 -4.043 1.00 0.00 C ATOM 1140 C VAL A 75 -5.954 -8.035 -4.657 1.00 0.00 C ATOM 1141 O VAL A 75 -7.050 -8.602 -4.506 1.00 0.00 O ATOM 1142 CB VAL A 75 -4.329 -7.883 -2.687 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -5.518 -7.918 -1.695 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -3.047 -8.460 -2.028 1.00 0.00 C ATOM 0 H VAL A 75 -2.823 -7.860 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.824 -9.684 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.142 -6.839 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.243 -7.396 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.382 -7.429 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.767 -8.953 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.844 -7.927 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.193 -9.519 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.203 -8.340 -2.707 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.782 -6.915 -5.386 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.882 -6.162 -6.010 1.00 0.00 C ATOM 1156 C ALA A 76 -7.597 -7.011 -7.071 1.00 0.00 C ATOM 1157 O ALA A 76 -8.825 -7.121 -7.085 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.332 -4.872 -6.648 1.00 0.00 C ATOM 0 H ALA A 76 -4.864 -6.505 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.606 -5.904 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.149 -4.317 -7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.864 -4.257 -5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.593 -5.128 -7.408 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.782 -7.648 -7.920 1.00 0.00 N ATOM 1165 CA GLN A 77 -7.264 -8.417 -9.077 1.00 0.00 C ATOM 1166 C GLN A 77 -7.778 -9.802 -8.633 1.00 0.00 C ATOM 1167 O GLN A 77 -8.725 -10.332 -9.223 1.00 0.00 O ATOM 1168 CB GLN A 77 -6.163 -8.546 -10.165 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.940 -9.384 -9.756 1.00 0.00 C ATOM 1170 CD GLN A 77 -3.897 -9.541 -10.859 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -3.745 -8.681 -11.727 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -3.150 -10.635 -10.818 1.00 0.00 N ATOM 0 H GLN A 77 -5.766 -7.646 -7.825 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.098 -7.874 -9.521 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.605 -8.988 -11.058 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.825 -7.547 -10.439 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.469 -8.921 -8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.277 -10.373 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.301 -11.329 -10.086 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.424 -10.783 -11.519 1.00 0.00 H new ATOM 1181 N LYS A 78 -7.144 -10.358 -7.576 1.00 0.00 N ATOM 1182 CA LYS A 78 -7.494 -11.664 -6.973 1.00 0.00 C ATOM 1183 C LYS A 78 -8.992 -11.770 -6.623 1.00 0.00 C ATOM 1184 O LYS A 78 -9.652 -12.749 -6.979 1.00 0.00 O ATOM 1185 CB LYS A 78 -6.655 -11.831 -5.679 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.947 -13.095 -4.833 1.00 0.00 C ATOM 1187 CD LYS A 78 -6.428 -12.964 -3.378 1.00 0.00 C ATOM 1188 CE LYS A 78 -7.086 -11.782 -2.627 1.00 0.00 C ATOM 1189 NZ LYS A 78 -6.686 -11.715 -1.205 1.00 0.00 N ATOM 0 H LYS A 78 -6.360 -9.903 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.278 -12.448 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.600 -11.839 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.815 -10.954 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.021 -13.279 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.482 -13.961 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.626 -13.890 -2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.347 -12.827 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.816 -10.848 -3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.170 -11.875 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.352 -11.109 -0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.697 -12.671 -0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.727 -11.318 -1.132 1.00 0.00 H new ATOM 1203 N HIS A 79 -9.520 -10.730 -5.949 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.895 -10.751 -5.397 1.00 0.00 C ATOM 1205 C HIS A 79 -11.974 -10.438 -6.473 1.00 0.00 C ATOM 1206 O HIS A 79 -13.136 -10.192 -6.138 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.998 -9.795 -4.164 1.00 0.00 C ATOM 1208 CG HIS A 79 -12.158 -10.116 -3.237 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -12.122 -11.163 -2.345 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -13.383 -9.548 -3.085 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -13.263 -11.232 -1.694 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -14.050 -10.262 -2.122 1.00 0.00 N ATOM 0 H HIS A 79 -9.016 -9.861 -5.772 1.00 0.00 H new ATOM 0 HA HIS A 79 -11.102 -11.766 -5.059 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.068 -9.845 -3.598 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.101 -8.769 -4.518 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.762 -8.692 -3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.514 -11.960 -0.937 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.997 -10.075 -1.792 1.00 0.00 H new ATOM 1221 N GLY A 80 -11.596 -10.481 -7.767 1.00 0.00 N ATOM 1222 CA GLY A 80 -12.560 -10.411 -8.875 1.00 0.00 C ATOM 1223 C GLY A 80 -12.465 -9.119 -9.656 1.00 0.00 C ATOM 1224 O GLY A 80 -13.477 -8.457 -9.908 1.00 0.00 O ATOM 0 H GLY A 80 -10.625 -10.564 -8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.392 -11.251 -9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.570 -10.517 -8.479 1.00 0.00 H new ATOM 1228 N LEU A 81 -11.244 -8.778 -10.069 1.00 0.00 N ATOM 1229 CA LEU A 81 -10.954 -7.537 -10.804 1.00 0.00 C ATOM 1230 C LEU A 81 -9.867 -7.803 -11.866 1.00 0.00 C ATOM 1231 O LEU A 81 -9.092 -8.756 -11.758 1.00 0.00 O ATOM 1232 CB LEU A 81 -10.508 -6.433 -9.797 1.00 0.00 C ATOM 1233 CG LEU A 81 -10.072 -5.060 -10.398 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -11.222 -4.374 -11.170 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -9.482 -4.140 -9.309 1.00 0.00 C ATOM 0 H LEU A 81 -10.420 -9.356 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.849 -7.189 -11.320 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.331 -6.254 -9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.677 -6.825 -9.210 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.284 -5.257 -11.125 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.874 -3.422 -11.571 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.544 -5.017 -11.989 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.060 -4.199 -10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.187 -3.191 -9.756 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.232 -3.961 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.610 -4.618 -8.862 1.00 0.00 H new ATOM 1466 N TYR A 95 4.541 7.475 -9.763 1.00 0.00 N ATOM 1467 CA TYR A 95 4.831 6.416 -8.795 1.00 0.00 C ATOM 1468 C TYR A 95 6.144 6.721 -8.085 1.00 0.00 C ATOM 1469 O TYR A 95 6.321 6.342 -6.940 1.00 0.00 O ATOM 1470 CB TYR A 95 4.900 5.046 -9.511 1.00 0.00 C ATOM 1471 CG TYR A 95 5.157 3.853 -8.577 1.00 0.00 C ATOM 1472 CD1 TYR A 95 4.162 3.398 -7.714 1.00 0.00 C ATOM 1473 CD2 TYR A 95 6.391 3.191 -8.548 1.00 0.00 C ATOM 1474 CE1 TYR A 95 4.389 2.343 -6.857 1.00 0.00 C ATOM 1475 CE2 TYR A 95 6.620 2.133 -7.690 1.00 0.00 C ATOM 1476 CZ TYR A 95 5.615 1.707 -6.854 1.00 0.00 C ATOM 1477 OH TYR A 95 5.833 0.641 -6.004 1.00 0.00 O ATOM 0 HA TYR A 95 4.033 6.373 -8.054 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.963 4.880 -10.043 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.690 5.081 -10.261 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.196 3.881 -7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.180 3.515 -9.211 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.608 2.013 -6.188 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.583 1.643 -7.676 1.00 0.00 H new ATOM 0 HH TYR A 95 5.537 0.878 -5.100 1.00 0.00 H new ATOM 1487 N ASP A 96 7.065 7.375 -8.809 1.00 0.00 N ATOM 1488 CA ASP A 96 8.347 7.847 -8.266 1.00 0.00 C ATOM 1489 C ASP A 96 8.121 8.940 -7.192 1.00 0.00 C ATOM 1490 O ASP A 96 8.912 9.070 -6.260 1.00 0.00 O ATOM 1491 CB ASP A 96 9.244 8.375 -9.416 1.00 0.00 C ATOM 1492 CG ASP A 96 10.700 8.637 -8.987 1.00 0.00 C ATOM 1493 OD1 ASP A 96 11.001 9.736 -8.465 1.00 0.00 O ATOM 1494 OD2 ASP A 96 11.552 7.739 -9.167 1.00 0.00 O ATOM 0 H ASP A 96 6.939 7.593 -9.797 1.00 0.00 H new ATOM 0 HA ASP A 96 8.854 7.011 -7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.238 7.652 -10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.816 9.299 -9.805 1.00 0.00 H new ATOM 1499 N ALA A 97 7.030 9.718 -7.339 1.00 0.00 N ATOM 1500 CA ALA A 97 6.641 10.749 -6.355 1.00 0.00 C ATOM 1501 C ALA A 97 6.141 10.092 -5.052 1.00 0.00 C ATOM 1502 O ALA A 97 6.554 10.480 -3.953 1.00 0.00 O ATOM 1503 CB ALA A 97 5.570 11.682 -6.954 1.00 0.00 C ATOM 0 H ALA A 97 6.398 9.651 -8.137 1.00 0.00 H new ATOM 0 HA ALA A 97 7.517 11.350 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.292 12.437 -6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.969 12.171 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.690 11.099 -7.225 1.00 0.00 H new ATOM 1509 N MET A 98 5.246 9.093 -5.202 1.00 0.00 N ATOM 1510 CA MET A 98 4.748 8.262 -4.074 1.00 0.00 C ATOM 1511 C MET A 98 5.898 7.470 -3.407 1.00 0.00 C ATOM 1512 O MET A 98 5.932 7.310 -2.195 1.00 0.00 O ATOM 1513 CB MET A 98 3.642 7.297 -4.583 1.00 0.00 C ATOM 1514 CG MET A 98 3.010 6.408 -3.493 1.00 0.00 C ATOM 1515 SD MET A 98 1.626 5.418 -4.106 1.00 0.00 S ATOM 1516 CE MET A 98 0.965 4.729 -2.582 1.00 0.00 C ATOM 0 H MET A 98 4.846 8.836 -6.105 1.00 0.00 H new ATOM 0 HA MET A 98 4.326 8.924 -3.318 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.855 7.885 -5.054 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.066 6.655 -5.355 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.773 5.744 -3.086 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.665 7.038 -2.673 1.00 0.00 H new ATOM 0 HE1 MET A 98 0.644 3.702 -2.756 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.736 4.743 -1.812 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.113 5.324 -2.253 1.00 0.00 H new ATOM 1526 N PHE A 99 6.804 6.975 -4.253 1.00 0.00 N ATOM 1527 CA PHE A 99 8.053 6.279 -3.861 1.00 0.00 C ATOM 1528 C PHE A 99 8.859 7.150 -2.885 1.00 0.00 C ATOM 1529 O PHE A 99 9.260 6.691 -1.812 1.00 0.00 O ATOM 1530 CB PHE A 99 8.884 5.962 -5.140 1.00 0.00 C ATOM 1531 CG PHE A 99 10.187 5.175 -4.949 1.00 0.00 C ATOM 1532 CD1 PHE A 99 11.353 5.798 -4.486 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.255 3.818 -5.266 1.00 0.00 C ATOM 1534 CE1 PHE A 99 12.526 5.090 -4.336 1.00 0.00 C ATOM 1535 CE2 PHE A 99 11.433 3.115 -5.114 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.567 3.749 -4.650 1.00 0.00 C ATOM 0 H PHE A 99 6.694 7.045 -5.265 1.00 0.00 H new ATOM 0 HA PHE A 99 7.811 5.344 -3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.248 5.403 -5.826 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.127 6.906 -5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.333 6.850 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.375 3.312 -5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 99 13.413 5.587 -3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.467 2.064 -5.359 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.486 3.195 -4.533 1.00 0.00 H new ATOM 1546 N GLU A 100 9.066 8.416 -3.289 1.00 0.00 N ATOM 1547 CA GLU A 100 9.804 9.415 -2.504 1.00 0.00 C ATOM 1548 C GLU A 100 9.079 9.771 -1.201 1.00 0.00 C ATOM 1549 O GLU A 100 9.721 10.056 -0.185 1.00 0.00 O ATOM 1550 CB GLU A 100 10.050 10.685 -3.347 1.00 0.00 C ATOM 1551 CG GLU A 100 11.104 10.526 -4.456 1.00 0.00 C ATOM 1552 CD GLU A 100 12.525 10.349 -3.900 1.00 0.00 C ATOM 1553 OE1 GLU A 100 13.190 11.371 -3.619 1.00 0.00 O ATOM 1554 OE2 GLU A 100 12.982 9.197 -3.720 1.00 0.00 O ATOM 0 H GLU A 100 8.721 8.775 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 100 10.763 8.974 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.108 10.991 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.360 11.491 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.849 9.664 -5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.078 11.401 -5.105 1.00 0.00 H new ATOM 1561 N ASP A 101 7.744 9.763 -1.252 1.00 0.00 N ATOM 1562 CA ASP A 101 6.896 10.078 -0.097 1.00 0.00 C ATOM 1563 C ASP A 101 7.062 8.991 0.992 1.00 0.00 C ATOM 1564 O ASP A 101 7.295 9.299 2.164 1.00 0.00 O ATOM 1565 CB ASP A 101 5.414 10.200 -0.551 1.00 0.00 C ATOM 1566 CG ASP A 101 4.489 10.796 0.525 1.00 0.00 C ATOM 1567 OD1 ASP A 101 4.003 10.041 1.389 1.00 0.00 O ATOM 1568 OD2 ASP A 101 4.247 12.025 0.506 1.00 0.00 O ATOM 0 H ASP A 101 7.219 9.538 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 101 7.201 11.033 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.366 10.822 -1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.045 9.213 -0.830 1.00 0.00 H new ATOM 1573 N ILE A 102 6.934 7.722 0.569 1.00 0.00 N ATOM 1574 CA ILE A 102 7.098 6.542 1.448 1.00 0.00 C ATOM 1575 C ILE A 102 8.550 6.404 1.972 1.00 0.00 C ATOM 1576 O ILE A 102 8.743 6.073 3.138 1.00 0.00 O ATOM 1577 CB ILE A 102 6.648 5.214 0.712 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.167 5.349 0.221 1.00 0.00 C ATOM 1579 CG2 ILE A 102 6.822 3.956 1.613 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.591 4.128 -0.479 1.00 0.00 C ATOM 0 H ILE A 102 6.713 7.480 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 102 6.449 6.698 2.310 1.00 0.00 H new ATOM 0 HB ILE A 102 7.298 5.076 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.538 5.583 1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.105 6.198 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.501 3.070 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.870 3.850 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.217 4.066 2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.562 4.331 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.186 3.901 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.611 3.276 0.200 1.00 0.00 H new ATOM 1592 N ARG A 103 9.562 6.675 1.108 1.00 0.00 N ATOM 1593 CA ARG A 103 10.996 6.545 1.491 1.00 0.00 C ATOM 1594 C ARG A 103 11.382 7.623 2.521 1.00 0.00 C ATOM 1595 O ARG A 103 12.253 7.405 3.377 1.00 0.00 O ATOM 1596 CB ARG A 103 11.937 6.535 0.233 1.00 0.00 C ATOM 1597 CG ARG A 103 12.239 7.878 -0.478 1.00 0.00 C ATOM 1598 CD ARG A 103 13.442 8.648 0.101 1.00 0.00 C ATOM 1599 NE ARG A 103 13.880 9.739 -0.792 1.00 0.00 N ATOM 1600 CZ ARG A 103 15.061 10.375 -0.716 1.00 0.00 C ATOM 1601 NH1 ARG A 103 15.902 10.135 0.283 1.00 0.00 N ATOM 1602 NH2 ARG A 103 15.386 11.259 -1.641 1.00 0.00 N ATOM 0 H ARG A 103 9.415 6.983 0.147 1.00 0.00 H new ATOM 0 HA ARG A 103 11.136 5.577 1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.889 6.099 0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.498 5.862 -0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.423 7.683 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.355 8.513 -0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.175 9.061 1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.270 7.958 0.264 1.00 0.00 H new ATOM 0 HE ARG A 103 13.235 10.033 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.655 9.460 1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.795 10.626 0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.742 11.456 -2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.281 11.746 -1.589 1.00 0.00 H new ATOM 1616 N ALA A 104 10.709 8.785 2.423 1.00 0.00 N ATOM 1617 CA ALA A 104 10.880 9.898 3.365 1.00 0.00 C ATOM 1618 C ALA A 104 10.233 9.543 4.715 1.00 0.00 C ATOM 1619 O ALA A 104 10.804 9.788 5.784 1.00 0.00 O ATOM 1620 CB ALA A 104 10.265 11.183 2.783 1.00 0.00 C ATOM 0 H ALA A 104 10.031 8.975 1.685 1.00 0.00 H new ATOM 0 HA ALA A 104 11.944 10.073 3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.397 12.002 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.760 11.430 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.201 11.028 2.602 1.00 0.00 H new ATOM 1626 N LYS A 105 9.019 8.974 4.637 1.00 0.00 N ATOM 1627 CA LYS A 105 8.255 8.501 5.802 1.00 0.00 C ATOM 1628 C LYS A 105 8.991 7.373 6.575 1.00 0.00 C ATOM 1629 O LYS A 105 8.918 7.299 7.803 1.00 0.00 O ATOM 1630 CB LYS A 105 6.853 8.024 5.328 1.00 0.00 C ATOM 1631 CG LYS A 105 5.857 7.759 6.471 1.00 0.00 C ATOM 1632 CD LYS A 105 5.576 9.026 7.308 1.00 0.00 C ATOM 1633 CE LYS A 105 4.758 8.730 8.561 1.00 0.00 C ATOM 1634 NZ LYS A 105 5.471 7.827 9.501 1.00 0.00 N ATOM 0 H LYS A 105 8.535 8.828 3.751 1.00 0.00 H new ATOM 0 HA LYS A 105 8.148 9.331 6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.432 8.776 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.970 7.111 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.921 7.386 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.252 6.977 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.522 9.484 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.044 9.752 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.523 9.666 9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.810 8.276 8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.005 7.855 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.449 6.855 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.459 8.138 9.599 1.00 0.00 H new ATOM 1648 N LEU A 106 9.675 6.497 5.825 1.00 0.00 N ATOM 1649 CA LEU A 106 10.485 5.386 6.380 1.00 0.00 C ATOM 1650 C LEU A 106 11.708 5.888 7.188 1.00 0.00 C ATOM 1651 O LEU A 106 12.189 5.195 8.089 1.00 0.00 O ATOM 1652 CB LEU A 106 10.939 4.432 5.231 1.00 0.00 C ATOM 1653 CG LEU A 106 9.857 3.421 4.721 1.00 0.00 C ATOM 1654 CD1 LEU A 106 10.218 2.835 3.336 1.00 0.00 C ATOM 1655 CD2 LEU A 106 9.645 2.290 5.753 1.00 0.00 C ATOM 0 H LEU A 106 9.686 6.534 4.806 1.00 0.00 H new ATOM 0 HA LEU A 106 9.852 4.838 7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.268 5.039 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.805 3.866 5.574 1.00 0.00 H new ATOM 0 HG LEU A 106 8.924 3.972 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.440 2.139 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.298 3.643 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.171 2.309 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.890 1.596 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.583 1.757 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.312 2.718 6.699 1.00 0.00 H new ATOM 1667 N HIS A 107 12.200 7.090 6.837 1.00 0.00 N ATOM 1668 CA HIS A 107 13.275 7.793 7.579 1.00 0.00 C ATOM 1669 C HIS A 107 12.729 8.319 8.947 1.00 0.00 C ATOM 1670 O HIS A 107 13.509 8.667 9.847 1.00 0.00 O ATOM 1671 CB HIS A 107 13.820 8.946 6.675 1.00 0.00 C ATOM 1672 CG HIS A 107 15.069 9.694 7.133 1.00 0.00 C ATOM 1673 ND1 HIS A 107 15.667 10.674 6.363 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.826 9.613 8.255 1.00 0.00 C ATOM 1675 CE1 HIS A 107 16.725 11.151 6.990 1.00 0.00 C ATOM 1676 NE2 HIS A 107 16.841 10.520 8.139 1.00 0.00 N ATOM 0 H HIS A 107 11.864 7.609 6.026 1.00 0.00 H new ATOM 0 HA HIS A 107 14.096 7.114 7.810 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.025 8.527 5.690 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.021 9.677 6.551 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.657 8.950 9.091 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.382 11.926 6.624 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.572 10.682 8.832 1.00 0.00 H new ATOM 1685 N ALA A 108 11.376 8.378 9.065 1.00 0.00 N ATOM 1686 CA ALA A 108 10.648 8.862 10.269 1.00 0.00 C ATOM 1687 C ALA A 108 10.891 10.368 10.482 1.00 0.00 C ATOM 1688 O ALA A 108 10.809 10.882 11.602 1.00 0.00 O ATOM 1689 CB ALA A 108 11.007 8.026 11.521 1.00 0.00 C ATOM 0 H ALA A 108 10.750 8.086 8.314 1.00 0.00 H new ATOM 0 HA ALA A 108 9.580 8.726 10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 108 10.458 8.406 12.382 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.739 6.983 11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.078 8.099 11.712 1.00 0.00 H new ATOM 1727 N GLY A 111 10.954 14.341 4.813 1.00 0.00 N ATOM 1728 CA GLY A 111 11.921 14.419 3.713 1.00 0.00 C ATOM 1729 C GLY A 111 11.387 15.206 2.530 1.00 0.00 C ATOM 1730 O GLY A 111 11.132 14.652 1.456 1.00 0.00 O ATOM 0 HA2 GLY A 111 12.839 14.885 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 111 12.181 13.411 3.389 1.00 0.00 H new ATOM 1734 N GLU A 112 11.215 16.511 2.753 1.00 0.00 N ATOM 1735 CA GLU A 112 10.657 17.444 1.766 1.00 0.00 C ATOM 1736 C GLU A 112 11.791 18.064 0.909 1.00 0.00 C ATOM 1737 O GLU A 112 12.753 18.603 1.467 1.00 0.00 O ATOM 1738 CB GLU A 112 9.833 18.542 2.504 1.00 0.00 C ATOM 1739 CG GLU A 112 10.574 19.259 3.654 1.00 0.00 C ATOM 1740 CD GLU A 112 9.687 20.267 4.393 1.00 0.00 C ATOM 1741 OE1 GLU A 112 9.505 21.389 3.873 1.00 0.00 O ATOM 1742 OE2 GLU A 112 9.149 19.944 5.475 1.00 0.00 O ATOM 0 H GLU A 112 11.462 16.958 3.636 1.00 0.00 H new ATOM 0 HA GLU A 112 9.992 16.909 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.518 19.289 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.928 18.086 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.941 18.517 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.446 19.775 3.253 1.00 0.00 H new ATOM 1749 N PRO A 113 11.727 17.953 -0.464 1.00 0.00 N ATOM 1750 CA PRO A 113 12.678 18.641 -1.376 1.00 0.00 C ATOM 1751 C PRO A 113 12.337 20.143 -1.515 1.00 0.00 C ATOM 1752 O PRO A 113 11.257 20.583 -1.096 1.00 0.00 O ATOM 1753 CB PRO A 113 12.508 17.878 -2.734 1.00 0.00 C ATOM 1754 CG PRO A 113 11.580 16.726 -2.437 1.00 0.00 C ATOM 1755 CD PRO A 113 10.757 17.148 -1.241 1.00 0.00 C ATOM 0 HA PRO A 113 13.705 18.618 -1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.090 18.530 -3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.468 17.522 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.941 16.510 -3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.143 15.818 -2.222 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.884 17.732 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.392 16.291 -0.675 1.00 0.00 H new ATOM 1763 N VAL A 114 13.256 20.917 -2.113 1.00 0.00 N ATOM 1764 CA VAL A 114 13.085 22.370 -2.319 1.00 0.00 C ATOM 1765 C VAL A 114 13.762 22.787 -3.635 1.00 0.00 C ATOM 1766 O VAL A 114 14.723 22.146 -4.070 1.00 0.00 O ATOM 1767 CB VAL A 114 13.674 23.193 -1.102 1.00 0.00 C ATOM 1768 CG1 VAL A 114 15.210 23.009 -0.963 1.00 0.00 C ATOM 1769 CG2 VAL A 114 13.281 24.695 -1.172 1.00 0.00 C ATOM 0 H VAL A 114 14.141 20.556 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 114 12.019 22.591 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 114 13.220 22.784 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.571 23.592 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.437 21.955 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.701 23.351 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.706 25.222 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 114 13.666 25.129 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.195 24.788 -1.152 1.00 0.00 H new ATOM 1779 N ASP A 115 13.254 23.851 -4.264 1.00 0.00 N ATOM 1780 CA ASP A 115 13.815 24.402 -5.510 1.00 0.00 C ATOM 1781 C ASP A 115 14.294 25.836 -5.236 1.00 0.00 C ATOM 1782 O ASP A 115 13.644 26.811 -5.622 1.00 0.00 O ATOM 1783 CB ASP A 115 12.747 24.351 -6.639 1.00 0.00 C ATOM 1784 CG ASP A 115 13.310 24.682 -8.030 1.00 0.00 C ATOM 1785 OD1 ASP A 115 13.952 23.798 -8.635 1.00 0.00 O ATOM 1786 OD2 ASP A 115 13.097 25.810 -8.537 1.00 0.00 O ATOM 0 H ASP A 115 12.438 24.360 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 115 14.666 23.809 -5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.302 23.356 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.947 25.052 -6.403 1.00 0.00 H new ATOM 1791 N LEU A 116 15.371 25.954 -4.437 1.00 0.00 N ATOM 1792 CA LEU A 116 16.077 27.240 -4.203 1.00 0.00 C ATOM 1793 C LEU A 116 17.331 27.347 -5.094 1.00 0.00 C ATOM 1794 O LEU A 116 17.742 28.449 -5.487 1.00 0.00 O ATOM 1795 CB LEU A 116 16.401 27.421 -2.671 1.00 0.00 C ATOM 1796 CG LEU A 116 17.181 26.267 -1.922 1.00 0.00 C ATOM 1797 CD1 LEU A 116 18.707 26.271 -2.195 1.00 0.00 C ATOM 1798 CD2 LEU A 116 16.911 26.301 -0.396 1.00 0.00 C ATOM 0 H LEU A 116 15.780 25.166 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 116 15.421 28.062 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.980 28.338 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.457 27.576 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 116 16.790 25.337 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 116 19.176 25.453 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 116 18.886 26.145 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 116 19.133 27.219 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.462 25.495 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.237 27.259 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.844 26.173 -0.212 1.00 0.00 H new ATOM 1810 N GLU A 117 17.909 26.180 -5.427 1.00 0.00 N ATOM 1811 CA GLU A 117 19.205 26.073 -6.130 1.00 0.00 C ATOM 1812 C GLU A 117 19.095 26.450 -7.616 1.00 0.00 C ATOM 1813 O GLU A 117 19.996 27.088 -8.165 1.00 0.00 O ATOM 1814 CB GLU A 117 19.747 24.628 -5.984 1.00 0.00 C ATOM 1815 CG GLU A 117 21.125 24.374 -6.630 1.00 0.00 C ATOM 1816 CD GLU A 117 21.591 22.919 -6.483 1.00 0.00 C ATOM 1817 OE1 GLU A 117 21.284 22.093 -7.372 1.00 0.00 O ATOM 1818 OE2 GLU A 117 22.247 22.588 -5.471 1.00 0.00 O ATOM 0 H GLU A 117 17.488 25.275 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 117 19.895 26.782 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 117 19.811 24.387 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 117 19.025 23.940 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 117 21.078 24.631 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 117 21.862 25.035 -6.174 1.00 0.00 H new ATOM 1825 N ARG A 118 17.969 26.078 -8.247 1.00 0.00 N ATOM 1826 CA ARG A 118 17.786 26.198 -9.711 1.00 0.00 C ATOM 1827 C ARG A 118 17.633 27.675 -10.152 1.00 0.00 C ATOM 1828 O ARG A 118 17.754 27.997 -11.340 1.00 0.00 O ATOM 1829 CB ARG A 118 16.576 25.325 -10.155 1.00 0.00 C ATOM 1830 CG ARG A 118 16.340 25.251 -11.685 1.00 0.00 C ATOM 1831 CD ARG A 118 15.132 24.375 -12.082 1.00 0.00 C ATOM 1832 NE ARG A 118 13.901 24.784 -11.383 1.00 0.00 N ATOM 1833 CZ ARG A 118 12.655 24.692 -11.856 1.00 0.00 C ATOM 1834 NH1 ARG A 118 12.408 24.260 -13.088 1.00 0.00 N ATOM 1835 NH2 ARG A 118 11.650 25.038 -11.074 1.00 0.00 N ATOM 0 H ARG A 118 17.161 25.687 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 118 18.681 25.827 -10.210 1.00 0.00 H new ATOM 0 HB2 ARG A 118 16.721 24.313 -9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.674 25.716 -9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 118 16.189 26.259 -12.070 1.00 0.00 H new ATOM 0 HG3 ARG A 118 17.237 24.858 -12.164 1.00 0.00 H new ATOM 0 HD2 ARG A 118 14.976 24.439 -13.159 1.00 0.00 H new ATOM 0 HD3 ARG A 118 15.350 23.332 -11.853 1.00 0.00 H new ATOM 0 HE ARG A 118 14.011 25.175 -10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 118 13.180 23.989 -13.698 1.00 0.00 H new ATOM 0 HH12 ARG A 118 11.447 24.199 -13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 118 11.832 25.369 -10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 118 10.692 24.975 -11.417 1.00 0.00 H new ATOM 1849 N ILE A 119 17.391 28.566 -9.173 1.00 0.00 N ATOM 1850 CA ILE A 119 17.267 30.017 -9.403 1.00 0.00 C ATOM 1851 C ILE A 119 18.666 30.614 -9.639 1.00 0.00 C ATOM 1852 O ILE A 119 18.900 31.292 -10.640 1.00 0.00 O ATOM 1853 CB ILE A 119 16.540 30.757 -8.199 1.00 0.00 C ATOM 1854 CG1 ILE A 119 15.037 30.320 -8.068 1.00 0.00 C ATOM 1855 CG2 ILE A 119 16.635 32.306 -8.337 1.00 0.00 C ATOM 1856 CD1 ILE A 119 14.793 28.884 -7.645 1.00 0.00 C ATOM 0 H ILE A 119 17.275 28.298 -8.196 1.00 0.00 H new ATOM 0 HA ILE A 119 16.645 30.169 -10.285 1.00 0.00 H new ATOM 0 HB ILE A 119 17.062 30.459 -7.290 1.00 0.00 H new ATOM 0 HG12 ILE A 119 14.550 30.977 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 119 14.548 30.482 -9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.127 32.778 -7.496 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.683 32.607 -8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 119 16.162 32.618 -9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 119 13.720 28.699 -7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 119 15.240 28.209 -8.375 1.00 0.00 H new ATOM 0 HD13 ILE A 119 15.243 28.711 -6.667 1.00 0.00 H new ATOM 1868 N ILE A 120 19.585 30.344 -8.696 1.00 0.00 N ATOM 1869 CA ILE A 120 20.993 30.775 -8.774 1.00 0.00 C ATOM 1870 C ILE A 120 21.872 29.515 -8.881 1.00 0.00 C ATOM 1871 O ILE A 120 22.219 28.897 -7.863 1.00 0.00 O ATOM 1872 CB ILE A 120 21.412 31.645 -7.516 1.00 0.00 C ATOM 1873 CG1 ILE A 120 20.475 32.893 -7.363 1.00 0.00 C ATOM 1874 CG2 ILE A 120 22.903 32.080 -7.599 1.00 0.00 C ATOM 1875 CD1 ILE A 120 20.752 33.759 -6.140 1.00 0.00 C ATOM 0 H ILE A 120 19.370 29.816 -7.850 1.00 0.00 H new ATOM 0 HA ILE A 120 21.128 31.409 -9.650 1.00 0.00 H new ATOM 0 HB ILE A 120 21.297 31.021 -6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 120 20.569 33.511 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 120 19.441 32.550 -7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 120 23.158 32.675 -6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 120 23.539 31.195 -7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 120 23.059 32.675 -8.499 1.00 0.00 H new ATOM 0 HD11 ILE A 120 20.054 34.596 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 120 20.628 33.163 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 120 21.773 34.139 -6.187 1.00 0.00 H new ATOM 1887 N ARG A 121 22.178 29.101 -10.123 1.00 0.00 N ATOM 1888 CA ARG A 121 22.926 27.849 -10.402 1.00 0.00 C ATOM 1889 C ARG A 121 24.210 28.169 -11.199 1.00 0.00 C ATOM 1890 O ARG A 121 25.305 27.720 -10.832 1.00 0.00 O ATOM 1891 CB ARG A 121 21.997 26.817 -11.151 1.00 0.00 C ATOM 1892 CG ARG A 121 21.839 25.439 -10.443 1.00 0.00 C ATOM 1893 CD ARG A 121 23.159 24.654 -10.359 1.00 0.00 C ATOM 1894 NE ARG A 121 23.018 23.383 -9.619 1.00 0.00 N ATOM 1895 CZ ARG A 121 23.967 22.436 -9.515 1.00 0.00 C ATOM 1896 NH1 ARG A 121 25.138 22.562 -10.138 1.00 0.00 N ATOM 1897 NH2 ARG A 121 23.740 21.359 -8.778 1.00 0.00 N ATOM 0 H ARG A 121 21.918 29.618 -10.963 1.00 0.00 H new ATOM 0 HA ARG A 121 23.231 27.386 -9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 121 21.009 27.262 -11.272 1.00 0.00 H new ATOM 0 HB3 ARG A 121 22.397 26.651 -12.151 1.00 0.00 H new ATOM 0 HG2 ARG A 121 21.451 25.596 -9.437 1.00 0.00 H new ATOM 0 HG3 ARG A 121 21.101 24.843 -10.980 1.00 0.00 H new ATOM 0 HD2 ARG A 121 23.518 24.445 -11.367 1.00 0.00 H new ATOM 0 HD3 ARG A 121 23.914 25.271 -9.873 1.00 0.00 H new ATOM 0 HE ARG A 121 22.129 23.210 -9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 121 25.327 23.388 -10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 121 25.845 21.833 -10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 121 22.849 21.251 -8.293 1.00 0.00 H new ATOM 0 HH22 ARG A 121 24.456 20.637 -8.695 1.00 0.00 H new