USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 804 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 35 MET CE :methyl -140:sc= -4.99! (180deg=-9.43!) USER MOD Set 1.2: A 128 GLN : amide:sc= -0.52 K(o=-5.5,f=-6.6) USER MOD Set 2.1: A 9 ASN : amide:sc= 0.0186 X(o=-1.1,f=-1.2) USER MOD Set 2.2: A 38 ASN : amide:sc= -1.15 K(o=-1.1,f=-7.2!) USER MOD Single : A 17 ASN : amide:sc= -0.341 K(o=-0.34,f=-2.1!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 60:sc= -1.08 USER MOD Single : A 37 THR OG1 : rot 46:sc= 0.108 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -163:sc=-0.000715 (180deg=-0.459) USER MOD Single : A 47 SER OG : rot 110:sc= -0.0521 USER MOD Single : A 48 CYS SG : rot 140:sc= -2.55 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc=-0.00986 X(o=-0.0099,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.0398 X(o=-0.04,f=-0.2) USER MOD Single : A 109 ASN : amide:sc= -0.175 K(o=-0.17,f=-0.99) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -4.2 X(o=-4.2,f=-4.1!) USER MOD Single : A 118 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.65) USER MOD Single : A 119 ASN : amide:sc= -0.363 K(o=-0.36,f=-2.8!) USER MOD Single : A 122 CYS SG : rot -75:sc= -0.0494 USER MOD Single : A 124 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2.1) USER MOD Single : A 125 MET CE :methyl -173:sc= -1 (180deg=-1.25) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -21.770 -11.369 -11.726 1.00 0.00 N ATOM 78 CA ASN A 9 -21.401 -10.696 -10.492 1.00 0.00 C ATOM 79 C ASN A 9 -20.005 -10.089 -10.645 1.00 0.00 C ATOM 80 O ASN A 9 -19.205 -10.559 -11.454 1.00 0.00 O ATOM 81 CB ASN A 9 -21.363 -11.678 -9.319 1.00 0.00 C ATOM 82 CG ASN A 9 -22.537 -12.658 -9.386 1.00 0.00 C ATOM 83 OD1 ASN A 9 -22.405 -13.797 -9.803 1.00 0.00 O ATOM 84 ND2 ASN A 9 -23.689 -12.152 -8.955 1.00 0.00 N ATOM 0 HA ASN A 9 -22.145 -9.925 -10.293 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.423 -12.230 -9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -21.397 -11.128 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -24.532 -12.726 -8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -23.729 -11.190 -8.619 1.00 0.00 H new ATOM 91 N PHE A 10 -19.754 -9.055 -9.857 1.00 0.00 N ATOM 92 CA PHE A 10 -18.468 -8.379 -9.895 1.00 0.00 C ATOM 93 C PHE A 10 -18.210 -7.619 -8.592 1.00 0.00 C ATOM 94 O PHE A 10 -19.086 -6.910 -8.098 1.00 0.00 O ATOM 95 CB PHE A 10 -18.522 -7.380 -11.052 1.00 0.00 C ATOM 96 CG PHE A 10 -19.377 -6.143 -10.767 1.00 0.00 C ATOM 97 CD1 PHE A 10 -18.908 -5.168 -9.942 1.00 0.00 C ATOM 98 CD2 PHE A 10 -20.604 -6.018 -11.339 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.701 -4.020 -9.678 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.397 -4.870 -11.075 1.00 0.00 C ATOM 101 CZ PHE A 10 -20.929 -3.896 -10.250 1.00 0.00 C ATOM 0 H PHE A 10 -20.419 -8.668 -9.188 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.668 -9.108 -10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.507 -7.061 -11.290 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -18.914 -7.884 -11.936 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -17.933 -5.267 -9.488 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -20.976 -6.792 -11.994 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -19.329 -3.246 -9.023 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.372 -4.771 -11.529 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.533 -3.023 -10.049 1.00 0.00 H new ATOM 111 N LEU A 11 -17.003 -7.792 -8.073 1.00 0.00 N ATOM 112 CA LEU A 11 -16.618 -7.131 -6.838 1.00 0.00 C ATOM 113 C LEU A 11 -15.281 -6.417 -7.041 1.00 0.00 C ATOM 114 O LEU A 11 -14.228 -7.054 -7.047 1.00 0.00 O ATOM 115 CB LEU A 11 -16.613 -8.127 -5.676 1.00 0.00 C ATOM 116 CG LEU A 11 -15.938 -7.652 -4.388 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.921 -6.876 -3.508 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.300 -8.823 -3.639 1.00 0.00 C ATOM 0 H LEU A 11 -16.279 -8.380 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.349 -6.368 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.645 -8.391 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.117 -9.039 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.135 -6.966 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.416 -6.550 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.287 -6.005 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.761 -7.520 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.827 -8.458 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.068 -9.552 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.549 -9.295 -4.273 1.00 0.00 H new ATOM 130 N GLU A 12 -15.365 -5.105 -7.204 1.00 0.00 N ATOM 131 CA GLU A 12 -14.174 -4.298 -7.407 1.00 0.00 C ATOM 132 C GLU A 12 -14.179 -3.096 -6.460 1.00 0.00 C ATOM 133 O GLU A 12 -15.213 -2.757 -5.887 1.00 0.00 O ATOM 134 CB GLU A 12 -14.060 -3.846 -8.865 1.00 0.00 C ATOM 135 CG GLU A 12 -13.999 -5.049 -9.808 1.00 0.00 C ATOM 136 CD GLU A 12 -12.612 -5.180 -10.441 1.00 0.00 C ATOM 137 OE1 GLU A 12 -12.346 -4.408 -11.388 1.00 0.00 O ATOM 138 OE2 GLU A 12 -11.850 -6.048 -9.964 1.00 0.00 O ATOM 0 H GLU A 12 -16.240 -4.580 -7.200 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.301 -4.911 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.914 -3.220 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.167 -3.235 -8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.239 -5.959 -9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.751 -4.941 -10.590 1.00 0.00 H new ATOM 145 N ILE A 13 -13.011 -2.485 -6.325 1.00 0.00 N ATOM 146 CA ILE A 13 -12.867 -1.329 -5.457 1.00 0.00 C ATOM 147 C ILE A 13 -12.047 -0.256 -6.176 1.00 0.00 C ATOM 148 O ILE A 13 -11.279 -0.562 -7.086 1.00 0.00 O ATOM 149 CB ILE A 13 -12.286 -1.744 -4.104 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.281 -2.600 -3.319 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.827 -0.521 -3.306 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.641 -3.917 -2.876 1.00 0.00 C ATOM 0 H ILE A 13 -12.156 -2.769 -6.802 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.842 -0.893 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.405 -2.360 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.630 -2.049 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.155 -2.806 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.418 -0.844 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.060 0.012 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.676 0.140 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.370 -4.507 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.315 -4.476 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.782 -3.708 -2.239 1.00 0.00 H new ATOM 164 N ASP A 14 -12.239 0.981 -5.740 1.00 0.00 N ATOM 165 CA ASP A 14 -11.526 2.101 -6.330 1.00 0.00 C ATOM 166 C ASP A 14 -10.725 2.820 -5.243 1.00 0.00 C ATOM 167 O ASP A 14 -11.192 2.963 -4.114 1.00 0.00 O ATOM 168 CB ASP A 14 -12.499 3.109 -6.946 1.00 0.00 C ATOM 169 CG ASP A 14 -12.318 3.348 -8.446 1.00 0.00 C ATOM 170 OD1 ASP A 14 -11.903 2.387 -9.128 1.00 0.00 O ATOM 171 OD2 ASP A 14 -12.600 4.487 -8.877 1.00 0.00 O ATOM 0 H ASP A 14 -12.878 1.232 -4.985 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.869 1.711 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.517 2.763 -6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.390 4.061 -6.426 1.00 0.00 H new ATOM 176 N ILE A 15 -9.532 3.255 -5.622 1.00 0.00 N ATOM 177 CA ILE A 15 -8.661 3.956 -4.694 1.00 0.00 C ATOM 178 C ILE A 15 -8.177 5.256 -5.338 1.00 0.00 C ATOM 179 O ILE A 15 -7.239 5.247 -6.134 1.00 0.00 O ATOM 180 CB ILE A 15 -7.527 3.040 -4.228 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.073 1.702 -3.726 1.00 0.00 C ATOM 182 CG2 ILE A 15 -6.658 3.735 -3.178 1.00 0.00 C ATOM 183 CD1 ILE A 15 -8.322 1.743 -2.217 1.00 0.00 C ATOM 0 H ILE A 15 -9.148 3.135 -6.559 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.208 4.232 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.888 2.825 -5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.002 1.466 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.366 0.906 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.860 3.063 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.224 4.639 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.270 3.999 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.710 0.780 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.386 1.955 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.047 2.524 -1.989 1.00 0.00 H new ATOM 195 N PHE A 16 -8.839 6.343 -4.971 1.00 0.00 N ATOM 196 CA PHE A 16 -8.487 7.649 -5.504 1.00 0.00 C ATOM 197 C PHE A 16 -8.873 8.761 -4.526 1.00 0.00 C ATOM 198 O PHE A 16 -9.311 8.488 -3.410 1.00 0.00 O ATOM 199 CB PHE A 16 -9.277 7.830 -6.801 1.00 0.00 C ATOM 200 CG PHE A 16 -10.791 7.923 -6.600 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.548 6.793 -6.594 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.381 9.137 -6.427 1.00 0.00 C ATOM 203 CE1 PHE A 16 -12.952 6.879 -6.408 1.00 0.00 C ATOM 204 CE2 PHE A 16 -12.786 9.223 -6.240 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.542 8.093 -6.235 1.00 0.00 C ATOM 0 H PHE A 16 -9.617 6.347 -4.311 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.411 7.706 -5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.931 8.734 -7.302 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.060 6.994 -7.466 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.080 5.829 -6.731 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.781 10.035 -6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.552 5.981 -6.404 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.254 10.186 -6.102 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.611 8.159 -6.094 1.00 0.00 H new ATOM 215 N ASN A 17 -8.695 9.993 -4.982 1.00 0.00 N ATOM 216 CA ASN A 17 -9.018 11.148 -4.161 1.00 0.00 C ATOM 217 C ASN A 17 -8.038 11.226 -2.990 1.00 0.00 C ATOM 218 O ASN A 17 -8.441 11.135 -1.831 1.00 0.00 O ATOM 219 CB ASN A 17 -10.432 11.038 -3.588 1.00 0.00 C ATOM 220 CG ASN A 17 -11.143 12.392 -3.619 1.00 0.00 C ATOM 221 OD1 ASN A 17 -10.565 13.419 -3.936 1.00 0.00 O ATOM 222 ND2 ASN A 17 -12.426 12.337 -3.273 1.00 0.00 N ATOM 0 H ASN A 17 -8.332 10.216 -5.909 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.951 12.037 -4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.005 10.309 -4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.385 10.671 -2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.988 13.188 -3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.848 11.444 -3.019 1.00 0.00 H new ATOM 229 N PRO A 18 -6.735 11.399 -3.341 1.00 0.00 N ATOM 230 CA PRO A 18 -5.694 11.491 -2.331 1.00 0.00 C ATOM 231 C PRO A 18 -5.723 12.853 -1.636 1.00 0.00 C ATOM 232 O PRO A 18 -5.165 13.825 -2.143 1.00 0.00 O ATOM 233 CB PRO A 18 -4.396 11.234 -3.080 1.00 0.00 C ATOM 234 CG PRO A 18 -4.709 11.468 -4.549 1.00 0.00 C ATOM 235 CD PRO A 18 -6.221 11.511 -4.702 1.00 0.00 C ATOM 0 HA PRO A 18 -5.824 10.768 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.608 11.904 -2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.044 10.216 -2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.264 12.403 -4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.286 10.672 -5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.545 12.439 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.579 10.694 -5.329 1.00 0.00 H new ATOM 243 N GLN A 19 -6.379 12.881 -0.485 1.00 0.00 N ATOM 244 CA GLN A 19 -6.488 14.108 0.285 1.00 0.00 C ATOM 245 C GLN A 19 -5.580 14.045 1.515 1.00 0.00 C ATOM 246 O GLN A 19 -5.743 13.173 2.367 1.00 0.00 O ATOM 247 CB GLN A 19 -7.940 14.375 0.688 1.00 0.00 C ATOM 248 CG GLN A 19 -8.558 13.146 1.359 1.00 0.00 C ATOM 249 CD GLN A 19 -9.323 13.539 2.625 1.00 0.00 C ATOM 250 OE1 GLN A 19 -8.753 13.776 3.677 1.00 0.00 O ATOM 251 NE2 GLN A 19 -10.642 13.594 2.464 1.00 0.00 N ATOM 0 H GLN A 19 -6.841 12.073 -0.067 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.161 14.938 -0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.982 15.225 1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.522 14.644 -0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.232 12.647 0.663 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.774 12.432 1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.054 13.383 1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.242 13.847 3.249 1.00 0.00 H new ATOM 260 N THR A 20 -4.644 14.981 1.568 1.00 0.00 N ATOM 261 CA THR A 20 -3.710 15.044 2.680 1.00 0.00 C ATOM 262 C THR A 20 -4.315 15.836 3.840 1.00 0.00 C ATOM 263 O THR A 20 -5.150 16.714 3.629 1.00 0.00 O ATOM 264 CB THR A 20 -2.397 15.632 2.161 1.00 0.00 C ATOM 265 OG1 THR A 20 -1.943 14.679 1.204 1.00 0.00 O ATOM 266 CG2 THR A 20 -1.299 15.642 3.226 1.00 0.00 C ATOM 0 H THR A 20 -4.512 15.702 0.859 1.00 0.00 H new ATOM 0 HA THR A 20 -3.502 14.051 3.080 1.00 0.00 H new ATOM 0 HB THR A 20 -2.570 16.649 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.096 14.983 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.388 16.069 2.806 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.622 16.242 4.076 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.103 14.622 3.556 1.00 0.00 H new ATOM 412 N THR A 30 -5.026 9.806 2.487 1.00 0.00 N ATOM 413 CA THR A 30 -6.014 8.741 2.453 1.00 0.00 C ATOM 414 C THR A 30 -6.618 8.618 1.053 1.00 0.00 C ATOM 415 O THR A 30 -6.606 9.576 0.281 1.00 0.00 O ATOM 416 CB THR A 30 -7.052 9.025 3.540 1.00 0.00 C ATOM 417 OG1 THR A 30 -7.864 10.056 2.984 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.436 9.667 4.785 1.00 0.00 C ATOM 0 HA THR A 30 -5.559 7.773 2.662 1.00 0.00 H new ATOM 0 HB THR A 30 -7.549 8.096 3.819 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.565 10.300 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.216 9.848 5.525 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.685 8.998 5.205 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.968 10.613 4.513 1.00 0.00 H new ATOM 426 N TYR A 31 -7.133 7.431 0.768 1.00 0.00 N ATOM 427 CA TYR A 31 -7.741 7.170 -0.526 1.00 0.00 C ATOM 428 C TYR A 31 -9.210 6.771 -0.371 1.00 0.00 C ATOM 429 O TYR A 31 -9.572 6.080 0.580 1.00 0.00 O ATOM 430 CB TYR A 31 -6.966 5.996 -1.127 1.00 0.00 C ATOM 431 CG TYR A 31 -5.451 6.205 -1.166 1.00 0.00 C ATOM 432 CD1 TYR A 31 -4.897 7.072 -2.087 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.638 5.527 -0.282 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.471 7.269 -2.123 1.00 0.00 C ATOM 435 CE2 TYR A 31 -3.211 5.723 -0.318 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.699 6.585 -1.238 1.00 0.00 C ATOM 437 OH TYR A 31 -1.352 6.771 -1.272 1.00 0.00 O ATOM 0 H TYR A 31 -7.142 6.639 1.411 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.704 8.060 -1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.184 5.097 -0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.324 5.819 -2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.533 7.602 -2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.071 4.849 0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.025 7.945 -2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.563 5.198 0.369 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.148 7.715 -1.105 1.00 0.00 H new ATOM 447 N GLU A 32 -10.016 7.223 -1.320 1.00 0.00 N ATOM 448 CA GLU A 32 -11.437 6.921 -1.301 1.00 0.00 C ATOM 449 C GLU A 32 -11.681 5.485 -1.768 1.00 0.00 C ATOM 450 O GLU A 32 -11.746 5.221 -2.968 1.00 0.00 O ATOM 451 CB GLU A 32 -12.220 7.917 -2.159 1.00 0.00 C ATOM 452 CG GLU A 32 -12.706 9.101 -1.320 1.00 0.00 C ATOM 453 CD GLU A 32 -14.228 9.239 -1.396 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.729 9.375 -2.533 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.855 9.206 -0.315 1.00 0.00 O ATOM 0 H GLU A 32 -9.712 7.796 -2.107 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.795 7.014 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.589 8.277 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.073 7.416 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.401 8.966 -0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.236 10.019 -1.673 1.00 0.00 H new ATOM 462 N VAL A 33 -11.809 4.594 -0.796 1.00 0.00 N ATOM 463 CA VAL A 33 -12.045 3.191 -1.092 1.00 0.00 C ATOM 464 C VAL A 33 -13.513 2.994 -1.473 1.00 0.00 C ATOM 465 O VAL A 33 -14.357 2.761 -0.608 1.00 0.00 O ATOM 466 CB VAL A 33 -11.613 2.326 0.094 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.535 0.851 -0.303 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.281 2.810 0.670 1.00 0.00 C ATOM 0 H VAL A 33 -11.754 4.816 0.198 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.443 2.874 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.369 2.424 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.226 0.258 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.514 0.514 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.809 0.729 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.997 2.178 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.511 2.757 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.384 3.841 1.009 1.00 0.00 H new ATOM 478 N ARG A 34 -13.775 3.096 -2.768 1.00 0.00 N ATOM 479 CA ARG A 34 -15.127 2.932 -3.273 1.00 0.00 C ATOM 480 C ARG A 34 -15.347 1.492 -3.744 1.00 0.00 C ATOM 481 O ARG A 34 -14.947 1.129 -4.849 1.00 0.00 O ATOM 482 CB ARG A 34 -15.400 3.888 -4.436 1.00 0.00 C ATOM 483 CG ARG A 34 -16.855 4.361 -4.426 1.00 0.00 C ATOM 484 CD ARG A 34 -16.956 5.833 -4.832 1.00 0.00 C ATOM 485 NE ARG A 34 -18.051 6.014 -5.811 1.00 0.00 N ATOM 486 CZ ARG A 34 -18.490 7.207 -6.234 1.00 0.00 C ATOM 487 NH1 ARG A 34 -17.931 8.332 -5.766 1.00 0.00 N ATOM 488 NH2 ARG A 34 -19.488 7.276 -7.126 1.00 0.00 N ATOM 0 H ARG A 34 -13.073 3.290 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.815 3.161 -2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.734 4.748 -4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.182 3.389 -5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.444 3.750 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.279 4.225 -3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.138 6.450 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.012 6.165 -5.264 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.499 5.179 -6.187 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.171 8.280 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.266 9.240 -6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.913 6.420 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.822 8.184 -7.448 1.00 0.00 H new ATOM 502 N MET A 35 -15.981 0.712 -2.881 1.00 0.00 N ATOM 503 CA MET A 35 -16.259 -0.679 -3.195 1.00 0.00 C ATOM 504 C MET A 35 -17.654 -0.836 -3.803 1.00 0.00 C ATOM 505 O MET A 35 -18.588 -0.138 -3.411 1.00 0.00 O ATOM 506 CB MET A 35 -16.160 -1.520 -1.920 1.00 0.00 C ATOM 507 CG MET A 35 -16.337 -3.008 -2.229 1.00 0.00 C ATOM 508 SD MET A 35 -16.917 -3.868 -0.777 1.00 0.00 S ATOM 509 CE MET A 35 -18.668 -3.910 -1.121 1.00 0.00 C ATOM 0 H MET A 35 -16.310 1.017 -1.965 1.00 0.00 H new ATOM 0 HA MET A 35 -15.525 -1.021 -3.925 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.192 -1.356 -1.446 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.921 -1.200 -1.209 1.00 0.00 H new ATOM 0 HG2 MET A 35 -17.047 -3.136 -3.046 1.00 0.00 H new ATOM 0 HG3 MET A 35 -15.390 -3.434 -2.560 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.224 -3.723 -0.202 1.00 0.00 H new ATOM 0 HE2 MET A 35 -18.913 -3.143 -1.856 1.00 0.00 H new ATOM 0 HE3 MET A 35 -18.938 -4.890 -1.515 1.00 0.00 H new ATOM 519 N ARG A 36 -17.752 -1.758 -4.750 1.00 0.00 N ATOM 520 CA ARG A 36 -19.017 -2.015 -5.416 1.00 0.00 C ATOM 521 C ARG A 36 -19.196 -3.516 -5.652 1.00 0.00 C ATOM 522 O ARG A 36 -18.227 -4.228 -5.911 1.00 0.00 O ATOM 523 CB ARG A 36 -19.093 -1.282 -6.757 1.00 0.00 C ATOM 524 CG ARG A 36 -17.910 -1.653 -7.653 1.00 0.00 C ATOM 525 CD ARG A 36 -18.045 -1.008 -9.034 1.00 0.00 C ATOM 526 NE ARG A 36 -16.875 -1.357 -9.871 1.00 0.00 N ATOM 527 CZ ARG A 36 -16.862 -1.287 -11.209 1.00 0.00 C ATOM 528 NH1 ARG A 36 -17.955 -0.881 -11.870 1.00 0.00 N ATOM 529 NH2 ARG A 36 -15.756 -1.623 -11.887 1.00 0.00 N ATOM 0 H ARG A 36 -16.976 -2.336 -5.072 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.813 -1.647 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -20.027 -1.532 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.101 -0.205 -6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.980 -1.329 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.854 -2.737 -7.758 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.962 -1.348 -9.516 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.121 0.075 -8.933 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.026 -1.670 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.797 -0.625 -11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.945 -0.828 -12.889 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.924 -1.932 -11.384 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.746 -1.570 -12.906 1.00 0.00 H new ATOM 543 N THR A 37 -20.443 -3.954 -5.555 1.00 0.00 N ATOM 544 CA THR A 37 -20.762 -5.357 -5.756 1.00 0.00 C ATOM 545 C THR A 37 -22.278 -5.564 -5.761 1.00 0.00 C ATOM 546 O THR A 37 -23.028 -4.702 -5.305 1.00 0.00 O ATOM 547 CB THR A 37 -20.042 -6.164 -4.674 1.00 0.00 C ATOM 548 OG1 THR A 37 -20.067 -7.502 -5.164 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.836 -6.232 -3.367 1.00 0.00 C ATOM 0 H THR A 37 -21.245 -3.361 -5.340 1.00 0.00 H new ATOM 0 HA THR A 37 -20.415 -5.707 -6.728 1.00 0.00 H new ATOM 0 HB THR A 37 -19.064 -5.721 -4.482 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.812 -7.509 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.280 -6.816 -2.634 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.993 -5.224 -2.984 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.801 -6.705 -3.551 1.00 0.00 H new ATOM 557 N ASN A 38 -22.685 -6.713 -6.282 1.00 0.00 N ATOM 558 CA ASN A 38 -24.097 -7.044 -6.352 1.00 0.00 C ATOM 559 C ASN A 38 -24.353 -8.336 -5.574 1.00 0.00 C ATOM 560 O ASN A 38 -25.408 -8.952 -5.717 1.00 0.00 O ATOM 561 CB ASN A 38 -24.539 -7.268 -7.800 1.00 0.00 C ATOM 562 CG ASN A 38 -23.924 -8.548 -8.369 1.00 0.00 C ATOM 563 OD1 ASN A 38 -23.046 -9.160 -7.782 1.00 0.00 O ATOM 564 ND2 ASN A 38 -24.432 -8.917 -9.541 1.00 0.00 N ATOM 0 H ASN A 38 -22.061 -7.426 -6.659 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.660 -6.212 -5.928 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -25.626 -7.331 -7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -24.242 -6.415 -8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -24.088 -9.758 -10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -25.166 -8.359 -9.977 1.00 0.00 H new ATOM 571 N LEU A 39 -23.369 -8.709 -4.769 1.00 0.00 N ATOM 572 CA LEU A 39 -23.475 -9.917 -3.969 1.00 0.00 C ATOM 573 C LEU A 39 -24.264 -9.612 -2.694 1.00 0.00 C ATOM 574 O LEU A 39 -24.290 -8.472 -2.234 1.00 0.00 O ATOM 575 CB LEU A 39 -22.088 -10.509 -3.707 1.00 0.00 C ATOM 576 CG LEU A 39 -21.203 -10.714 -4.938 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.779 -11.099 -4.532 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.822 -11.736 -5.894 1.00 0.00 C ATOM 0 H LEU A 39 -22.495 -8.196 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 39 -24.028 -10.685 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.562 -9.856 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.213 -11.471 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 39 -21.140 -9.767 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.171 -11.239 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.348 -10.306 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.802 -12.027 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -21.173 -11.863 -6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.935 -12.692 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.800 -11.382 -6.222 1.00 0.00 H new ATOM 590 N PRO A 40 -24.904 -10.679 -2.145 1.00 0.00 N ATOM 591 CA PRO A 40 -25.691 -10.537 -0.932 1.00 0.00 C ATOM 592 C PRO A 40 -24.788 -10.403 0.295 1.00 0.00 C ATOM 593 O PRO A 40 -25.098 -9.653 1.220 1.00 0.00 O ATOM 594 CB PRO A 40 -26.574 -11.774 -0.889 1.00 0.00 C ATOM 595 CG PRO A 40 -25.924 -12.782 -1.821 1.00 0.00 C ATOM 596 CD PRO A 40 -24.895 -12.045 -2.662 1.00 0.00 C ATOM 0 HA PRO A 40 -26.297 -9.631 -0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.645 -12.168 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.589 -11.541 -1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.449 -13.579 -1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.673 -13.250 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.908 -12.498 -2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -25.157 -12.070 -3.720 1.00 0.00 H new ATOM 604 N ILE A 41 -23.689 -11.142 0.265 1.00 0.00 N ATOM 605 CA ILE A 41 -22.739 -11.116 1.364 1.00 0.00 C ATOM 606 C ILE A 41 -22.630 -9.689 1.904 1.00 0.00 C ATOM 607 O ILE A 41 -22.633 -9.477 3.116 1.00 0.00 O ATOM 608 CB ILE A 41 -21.399 -11.713 0.929 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.586 -10.702 0.119 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.605 -13.024 0.168 1.00 0.00 C ATOM 611 CD1 ILE A 41 -19.167 -11.216 -0.135 1.00 0.00 C ATOM 0 H ILE A 41 -23.435 -11.763 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.089 -11.742 2.185 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.822 -11.947 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.082 -10.509 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.543 -9.753 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.637 -13.428 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.115 -13.741 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.210 -12.838 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.611 -10.478 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.665 -11.384 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.213 -12.152 -0.691 1.00 0.00 H new ATOM 623 N PHE A 42 -22.535 -8.745 0.978 1.00 0.00 N ATOM 624 CA PHE A 42 -22.425 -7.344 1.346 1.00 0.00 C ATOM 625 C PHE A 42 -23.806 -6.731 1.588 1.00 0.00 C ATOM 626 O PHE A 42 -24.794 -7.165 0.998 1.00 0.00 O ATOM 627 CB PHE A 42 -21.760 -6.624 0.171 1.00 0.00 C ATOM 628 CG PHE A 42 -20.279 -6.965 -0.009 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.915 -8.048 -0.746 1.00 0.00 C ATOM 630 CD2 PHE A 42 -19.327 -6.183 0.568 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.540 -8.364 -0.913 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.952 -6.499 0.401 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.588 -7.583 -0.336 1.00 0.00 C ATOM 0 H PHE A 42 -22.532 -8.924 -0.026 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.847 -7.245 2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.294 -6.875 -0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.860 -5.548 0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.671 -8.668 -1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.616 -5.322 1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.251 -9.224 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.196 -5.879 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.543 -7.823 -0.463 1.00 0.00 H new ATOM 643 N LYS A 43 -23.830 -5.731 2.457 1.00 0.00 N ATOM 644 CA LYS A 43 -25.073 -5.054 2.785 1.00 0.00 C ATOM 645 C LYS A 43 -25.216 -3.809 1.908 1.00 0.00 C ATOM 646 O LYS A 43 -26.299 -3.526 1.397 1.00 0.00 O ATOM 647 CB LYS A 43 -25.144 -4.761 4.285 1.00 0.00 C ATOM 648 CG LYS A 43 -26.570 -4.401 4.706 1.00 0.00 C ATOM 649 CD LYS A 43 -26.753 -4.565 6.216 1.00 0.00 C ATOM 650 CE LYS A 43 -26.456 -3.256 6.950 1.00 0.00 C ATOM 651 NZ LYS A 43 -26.257 -3.505 8.396 1.00 0.00 N ATOM 0 H LYS A 43 -23.008 -5.373 2.944 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.926 -5.697 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.804 -5.632 4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.470 -3.940 4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.789 -3.373 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -27.281 -5.037 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -27.774 -4.882 6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -26.092 -5.350 6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.565 -2.791 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -27.279 -2.556 6.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -26.056 -2.606 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.118 -3.929 8.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -25.457 -4.156 8.529 1.00 0.00 H new ATOM 665 N LEU A 44 -24.109 -3.097 1.759 1.00 0.00 N ATOM 666 CA LEU A 44 -24.098 -1.889 0.952 1.00 0.00 C ATOM 667 C LEU A 44 -23.576 -2.220 -0.448 1.00 0.00 C ATOM 668 O LEU A 44 -22.657 -3.025 -0.597 1.00 0.00 O ATOM 669 CB LEU A 44 -23.311 -0.782 1.656 1.00 0.00 C ATOM 670 CG LEU A 44 -23.507 -0.678 3.170 1.00 0.00 C ATOM 671 CD1 LEU A 44 -22.736 0.514 3.742 1.00 0.00 C ATOM 672 CD2 LEU A 44 -24.993 -0.624 3.527 1.00 0.00 C ATOM 0 H LEU A 44 -23.212 -3.334 2.184 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.110 -1.502 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.250 -0.935 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.585 0.173 1.208 1.00 0.00 H new ATOM 0 HG LEU A 44 -23.097 -1.577 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -22.892 0.565 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -21.673 0.393 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.093 1.434 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.105 -0.550 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.449 0.246 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.486 -1.529 3.172 1.00 0.00 H new ATOM 684 N LYS A 45 -24.184 -1.583 -1.437 1.00 0.00 N ATOM 685 CA LYS A 45 -23.792 -1.800 -2.820 1.00 0.00 C ATOM 686 C LYS A 45 -22.668 -0.828 -3.185 1.00 0.00 C ATOM 687 O LYS A 45 -21.763 -1.177 -3.942 1.00 0.00 O ATOM 688 CB LYS A 45 -25.009 -1.708 -3.742 1.00 0.00 C ATOM 689 CG LYS A 45 -26.145 -2.603 -3.243 1.00 0.00 C ATOM 690 CD LYS A 45 -25.880 -4.070 -3.587 1.00 0.00 C ATOM 691 CE LYS A 45 -27.191 -4.829 -3.797 1.00 0.00 C ATOM 692 NZ LYS A 45 -27.164 -5.567 -5.079 1.00 0.00 N ATOM 0 H LYS A 45 -24.945 -0.916 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.397 -2.808 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.352 -0.675 -3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.727 -2.002 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.252 -2.493 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.086 -2.285 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.271 -4.131 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.309 -4.538 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.351 -5.525 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -28.027 -4.130 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -28.133 -5.834 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.754 -4.962 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.586 -6.425 -4.974 1.00 0.00 H new ATOM 706 N GLU A 46 -22.763 0.371 -2.630 1.00 0.00 N ATOM 707 CA GLU A 46 -21.765 1.396 -2.889 1.00 0.00 C ATOM 708 C GLU A 46 -21.542 2.246 -1.636 1.00 0.00 C ATOM 709 O GLU A 46 -22.492 2.785 -1.070 1.00 0.00 O ATOM 710 CB GLU A 46 -22.171 2.268 -4.079 1.00 0.00 C ATOM 711 CG GLU A 46 -21.343 1.923 -5.318 1.00 0.00 C ATOM 712 CD GLU A 46 -22.176 2.070 -6.593 1.00 0.00 C ATOM 713 OE1 GLU A 46 -22.414 3.233 -6.984 1.00 0.00 O ATOM 714 OE2 GLU A 46 -22.557 1.016 -7.147 1.00 0.00 O ATOM 0 H GLU A 46 -23.515 0.656 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.825 0.906 -3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -23.230 2.126 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.035 3.320 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -20.472 2.576 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -20.971 0.902 -5.238 1.00 0.00 H new ATOM 721 N SER A 47 -20.281 2.340 -1.241 1.00 0.00 N ATOM 722 CA SER A 47 -19.921 3.116 -0.067 1.00 0.00 C ATOM 723 C SER A 47 -18.458 3.555 -0.158 1.00 0.00 C ATOM 724 O SER A 47 -17.689 3.005 -0.945 1.00 0.00 O ATOM 725 CB SER A 47 -20.155 2.315 1.216 1.00 0.00 C ATOM 726 OG SER A 47 -20.651 1.007 0.945 1.00 0.00 O ATOM 0 H SER A 47 -19.496 1.892 -1.713 1.00 0.00 H new ATOM 0 HA SER A 47 -20.558 4.000 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.221 2.240 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.863 2.847 1.852 1.00 0.00 H new ATOM 0 HG SER A 47 -19.959 0.345 1.152 1.00 0.00 H new ATOM 732 N CYS A 48 -18.117 4.541 0.658 1.00 0.00 N ATOM 733 CA CYS A 48 -16.760 5.060 0.680 1.00 0.00 C ATOM 734 C CYS A 48 -16.332 5.228 2.139 1.00 0.00 C ATOM 735 O CYS A 48 -17.150 5.561 2.995 1.00 0.00 O ATOM 736 CB CYS A 48 -16.643 6.370 -0.103 1.00 0.00 C ATOM 737 SG CYS A 48 -15.196 6.304 -1.222 1.00 0.00 S ATOM 0 H CYS A 48 -18.757 4.995 1.309 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.091 4.356 0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.552 6.541 -0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -16.542 7.208 0.587 1.00 0.00 H new ATOM 0 HG CYS A 48 -15.502 6.854 -2.359 1.00 0.00 H new ATOM 743 N VAL A 49 -15.052 4.988 2.378 1.00 0.00 N ATOM 744 CA VAL A 49 -14.505 5.108 3.719 1.00 0.00 C ATOM 745 C VAL A 49 -13.017 5.451 3.630 1.00 0.00 C ATOM 746 O VAL A 49 -12.403 5.296 2.576 1.00 0.00 O ATOM 747 CB VAL A 49 -14.777 3.827 4.511 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.280 3.604 4.693 1.00 0.00 C ATOM 749 CG2 VAL A 49 -14.120 2.619 3.842 1.00 0.00 C ATOM 0 H VAL A 49 -14.377 4.711 1.665 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.993 5.919 4.259 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.334 3.944 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.446 2.687 5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.710 4.447 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.756 3.519 3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.329 1.722 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.520 2.499 2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.042 2.774 3.788 1.00 0.00 H new ATOM 759 N ARG A 50 -12.480 5.911 4.751 1.00 0.00 N ATOM 760 CA ARG A 50 -11.076 6.277 4.813 1.00 0.00 C ATOM 761 C ARG A 50 -10.224 5.057 5.169 1.00 0.00 C ATOM 762 O ARG A 50 -10.497 4.372 6.154 1.00 0.00 O ATOM 763 CB ARG A 50 -10.839 7.377 5.850 1.00 0.00 C ATOM 764 CG ARG A 50 -9.399 7.341 6.368 1.00 0.00 C ATOM 765 CD ARG A 50 -9.140 8.488 7.347 1.00 0.00 C ATOM 766 NE ARG A 50 -8.942 7.953 8.712 1.00 0.00 N ATOM 767 CZ ARG A 50 -8.826 8.715 9.808 1.00 0.00 C ATOM 768 NH1 ARG A 50 -8.887 10.050 9.706 1.00 0.00 N ATOM 769 NH2 ARG A 50 -8.649 8.143 11.007 1.00 0.00 N ATOM 0 H ARG A 50 -12.993 6.038 5.623 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.787 6.651 3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.045 8.351 5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.532 7.253 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.210 6.387 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.705 7.410 5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.259 9.050 7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.981 9.182 7.338 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.891 6.941 8.826 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.022 10.486 8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.799 10.630 10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.603 7.127 11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.561 8.724 11.841 1.00 0.00 H new ATOM 783 N ARG A 51 -9.210 4.823 4.349 1.00 0.00 N ATOM 784 CA ARG A 51 -8.317 3.698 4.566 1.00 0.00 C ATOM 785 C ARG A 51 -6.870 4.106 4.280 1.00 0.00 C ATOM 786 O ARG A 51 -6.570 4.634 3.210 1.00 0.00 O ATOM 787 CB ARG A 51 -8.693 2.516 3.670 1.00 0.00 C ATOM 788 CG ARG A 51 -9.919 1.782 4.216 1.00 0.00 C ATOM 789 CD ARG A 51 -9.533 0.848 5.364 1.00 0.00 C ATOM 790 NE ARG A 51 -9.651 1.559 6.656 1.00 0.00 N ATOM 791 CZ ARG A 51 -10.812 1.793 7.282 1.00 0.00 C ATOM 792 NH1 ARG A 51 -11.963 1.374 6.738 1.00 0.00 N ATOM 793 NH2 ARG A 51 -10.824 2.446 8.452 1.00 0.00 N ATOM 0 H ARG A 51 -8.987 5.393 3.533 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.413 3.394 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.897 2.871 2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.852 1.826 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.656 2.506 4.564 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.389 1.208 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.179 -0.030 5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.512 0.493 5.227 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.794 1.892 7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.955 0.877 5.847 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.847 1.552 7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.949 2.765 8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.709 2.624 8.928 1.00 0.00 H new ATOM 807 N ARG A 52 -6.012 3.846 5.255 1.00 0.00 N ATOM 808 CA ARG A 52 -4.604 4.179 5.122 1.00 0.00 C ATOM 809 C ARG A 52 -3.768 2.906 4.976 1.00 0.00 C ATOM 810 O ARG A 52 -4.244 1.810 5.269 1.00 0.00 O ATOM 811 CB ARG A 52 -4.108 4.970 6.334 1.00 0.00 C ATOM 812 CG ARG A 52 -4.774 6.346 6.400 1.00 0.00 C ATOM 813 CD ARG A 52 -4.536 7.005 7.760 1.00 0.00 C ATOM 814 NE ARG A 52 -5.500 6.480 8.753 1.00 0.00 N ATOM 815 CZ ARG A 52 -5.458 6.761 10.062 1.00 0.00 C ATOM 816 NH1 ARG A 52 -4.500 7.564 10.545 1.00 0.00 N ATOM 817 NH2 ARG A 52 -6.374 6.240 10.889 1.00 0.00 N ATOM 0 H ARG A 52 -6.265 3.408 6.141 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.493 4.795 4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.321 4.415 7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.026 5.088 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.379 6.983 5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.845 6.245 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.516 6.812 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.643 8.086 7.673 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.243 5.866 8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.803 7.961 9.916 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.468 7.778 11.542 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.104 5.629 10.522 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.342 6.454 11.886 1.00 0.00 H new ATOM 831 N TYR A 53 -2.537 3.093 4.524 1.00 0.00 N ATOM 832 CA TYR A 53 -1.631 1.972 4.336 1.00 0.00 C ATOM 833 C TYR A 53 -1.581 1.092 5.586 1.00 0.00 C ATOM 834 O TYR A 53 -1.510 -0.132 5.486 1.00 0.00 O ATOM 835 CB TYR A 53 -0.248 2.584 4.102 1.00 0.00 C ATOM 836 CG TYR A 53 0.864 1.551 3.904 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.798 0.660 2.853 1.00 0.00 C ATOM 838 CD2 TYR A 53 1.931 1.511 4.778 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.844 -0.312 2.667 1.00 0.00 C ATOM 840 CE2 TYR A 53 2.977 0.539 4.592 1.00 0.00 C ATOM 841 CZ TYR A 53 2.882 -0.325 3.545 1.00 0.00 C ATOM 842 OH TYR A 53 3.870 -1.243 3.370 1.00 0.00 O ATOM 0 H TYR A 53 -2.145 4.003 4.282 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.959 1.348 3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.291 3.229 3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.006 3.218 4.951 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.038 0.691 2.170 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.982 2.208 5.601 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.805 -1.015 1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.818 0.497 5.268 1.00 0.00 H new ATOM 0 HH TYR A 53 4.546 -1.134 4.071 1.00 0.00 H new ATOM 852 N SER A 54 -1.619 1.749 6.736 1.00 0.00 N ATOM 853 CA SER A 54 -1.579 1.042 8.005 1.00 0.00 C ATOM 854 C SER A 54 -2.850 0.208 8.179 1.00 0.00 C ATOM 855 O SER A 54 -2.781 -0.970 8.527 1.00 0.00 O ATOM 856 CB SER A 54 -1.418 2.015 9.174 1.00 0.00 C ATOM 857 OG SER A 54 -0.089 2.019 9.687 1.00 0.00 O ATOM 0 H SER A 54 -1.677 2.764 6.816 1.00 0.00 H new ATOM 0 HA SER A 54 -0.714 0.379 7.999 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.683 3.021 8.848 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.113 1.744 9.969 1.00 0.00 H new ATOM 0 HG SER A 54 -0.027 2.654 10.431 1.00 0.00 H new ATOM 863 N ASP A 55 -3.980 0.851 7.929 1.00 0.00 N ATOM 864 CA ASP A 55 -5.265 0.183 8.053 1.00 0.00 C ATOM 865 C ASP A 55 -5.217 -1.150 7.304 1.00 0.00 C ATOM 866 O ASP A 55 -5.494 -2.200 7.881 1.00 0.00 O ATOM 867 CB ASP A 55 -6.386 1.028 7.444 1.00 0.00 C ATOM 868 CG ASP A 55 -6.761 2.278 8.243 1.00 0.00 C ATOM 869 OD1 ASP A 55 -5.822 2.936 8.740 1.00 0.00 O ATOM 870 OD2 ASP A 55 -7.978 2.547 8.337 1.00 0.00 O ATOM 0 H ASP A 55 -4.033 1.828 7.641 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.464 0.030 9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.087 1.332 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.273 0.404 7.337 1.00 0.00 H new ATOM 875 N PHE A 56 -4.863 -1.064 6.030 1.00 0.00 N ATOM 876 CA PHE A 56 -4.775 -2.251 5.197 1.00 0.00 C ATOM 877 C PHE A 56 -3.993 -3.360 5.903 1.00 0.00 C ATOM 878 O PHE A 56 -4.463 -4.494 5.995 1.00 0.00 O ATOM 879 CB PHE A 56 -4.029 -1.848 3.923 1.00 0.00 C ATOM 880 CG PHE A 56 -4.907 -1.154 2.880 1.00 0.00 C ATOM 881 CD1 PHE A 56 -5.789 -1.880 2.142 1.00 0.00 C ATOM 882 CD2 PHE A 56 -4.806 0.189 2.691 1.00 0.00 C ATOM 883 CE1 PHE A 56 -6.604 -1.236 1.174 1.00 0.00 C ATOM 884 CE2 PHE A 56 -5.621 0.833 1.723 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.503 0.107 0.985 1.00 0.00 C ATOM 0 H PHE A 56 -4.634 -0.191 5.555 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.774 -2.630 4.981 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.207 -1.184 4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.587 -2.739 3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.869 -2.946 2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.106 0.766 3.277 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.304 -1.813 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.541 1.899 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.123 0.597 0.249 1.00 0.00 H new ATOM 895 N GLU A 57 -2.814 -2.995 6.383 1.00 0.00 N ATOM 896 CA GLU A 57 -1.962 -3.946 7.078 1.00 0.00 C ATOM 897 C GLU A 57 -2.785 -4.765 8.075 1.00 0.00 C ATOM 898 O GLU A 57 -2.772 -5.995 8.032 1.00 0.00 O ATOM 899 CB GLU A 57 -0.804 -3.234 7.779 1.00 0.00 C ATOM 900 CG GLU A 57 0.507 -3.437 7.016 1.00 0.00 C ATOM 901 CD GLU A 57 1.703 -3.437 7.970 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.121 -2.324 8.356 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.172 -4.550 8.293 1.00 0.00 O ATOM 0 H GLU A 57 -2.428 -2.054 6.305 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.535 -4.627 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.022 -2.169 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.700 -3.614 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.472 -4.380 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.628 -2.646 6.276 1.00 0.00 H new ATOM 910 N TRP A 58 -3.480 -4.052 8.948 1.00 0.00 N ATOM 911 CA TRP A 58 -4.307 -4.698 9.953 1.00 0.00 C ATOM 912 C TRP A 58 -5.201 -5.718 9.246 1.00 0.00 C ATOM 913 O TRP A 58 -5.288 -6.870 9.667 1.00 0.00 O ATOM 914 CB TRP A 58 -5.099 -3.665 10.758 1.00 0.00 C ATOM 915 CG TRP A 58 -6.095 -4.277 11.745 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.936 -4.477 13.061 1.00 0.00 C ATOM 917 CD2 TRP A 58 -7.420 -4.762 11.440 1.00 0.00 C ATOM 918 NE1 TRP A 58 -7.056 -5.054 13.624 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.987 -5.232 12.607 1.00 0.00 C ATOM 920 CE3 TRP A 58 -8.115 -4.802 10.219 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -9.275 -5.777 12.668 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -9.402 -5.349 10.297 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.987 -5.827 11.463 1.00 0.00 C ATOM 0 H TRP A 58 -3.488 -3.033 8.981 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.689 -5.223 10.681 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.400 -3.034 11.307 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.639 -3.017 10.067 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.043 -4.219 13.611 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -7.178 -5.304 14.605 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.690 -4.440 9.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.697 -6.139 13.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.980 -5.403 9.387 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.987 -6.235 11.440 1.00 0.00 H new ATOM 934 N LEU A 59 -5.843 -5.257 8.182 1.00 0.00 N ATOM 935 CA LEU A 59 -6.727 -6.115 7.412 1.00 0.00 C ATOM 936 C LEU A 59 -5.949 -7.341 6.929 1.00 0.00 C ATOM 937 O LEU A 59 -6.398 -8.473 7.100 1.00 0.00 O ATOM 938 CB LEU A 59 -7.392 -5.325 6.283 1.00 0.00 C ATOM 939 CG LEU A 59 -7.454 -6.022 4.922 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.495 -7.142 4.927 1.00 0.00 C ATOM 941 CD2 LEU A 59 -7.703 -5.012 3.800 1.00 0.00 C ATOM 0 H LEU A 59 -5.768 -4.301 7.835 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.542 -6.480 8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.409 -5.078 6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.858 -4.383 6.162 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.486 -6.484 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.519 -7.621 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.232 -7.879 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.477 -6.725 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.743 -5.533 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.650 -4.501 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.894 -4.282 3.782 1.00 0.00 H new ATOM 953 N LYS A 60 -4.795 -7.073 6.336 1.00 0.00 N ATOM 954 CA LYS A 60 -3.950 -8.140 5.827 1.00 0.00 C ATOM 955 C LYS A 60 -3.595 -9.093 6.970 1.00 0.00 C ATOM 956 O LYS A 60 -3.956 -10.268 6.938 1.00 0.00 O ATOM 957 CB LYS A 60 -2.729 -7.560 5.108 1.00 0.00 C ATOM 958 CG LYS A 60 -1.607 -8.596 5.011 1.00 0.00 C ATOM 959 CD LYS A 60 -0.751 -8.361 3.765 1.00 0.00 C ATOM 960 CE LYS A 60 0.657 -8.929 3.952 1.00 0.00 C ATOM 961 NZ LYS A 60 1.534 -7.935 4.610 1.00 0.00 N ATOM 0 H LYS A 60 -4.425 -6.133 6.197 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.484 -8.725 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.013 -7.232 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.371 -6.680 5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.981 -8.544 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.034 -9.598 4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.224 -8.828 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.691 -7.293 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.612 -9.837 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.075 -9.207 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.486 -8.337 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.591 -7.079 4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.143 -7.690 5.542 1.00 0.00 H new ATOM 975 N ASN A 61 -2.892 -8.550 7.954 1.00 0.00 N ATOM 976 CA ASN A 61 -2.484 -9.337 9.105 1.00 0.00 C ATOM 977 C ASN A 61 -3.683 -10.132 9.624 1.00 0.00 C ATOM 978 O ASN A 61 -3.596 -11.345 9.809 1.00 0.00 O ATOM 979 CB ASN A 61 -1.986 -8.438 10.238 1.00 0.00 C ATOM 980 CG ASN A 61 -0.881 -9.129 11.041 1.00 0.00 C ATOM 981 OD1 ASN A 61 -1.111 -10.076 11.775 1.00 0.00 O ATOM 982 ND2 ASN A 61 0.327 -8.604 10.861 1.00 0.00 N ATOM 0 H ASN A 61 -2.595 -7.575 7.977 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.679 -10.001 8.791 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.610 -7.502 9.826 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.816 -8.185 10.898 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.131 -8.994 11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.450 -7.811 10.232 1.00 0.00 H new ATOM 989 N GLU A 62 -4.776 -9.416 9.845 1.00 0.00 N ATOM 990 CA GLU A 62 -5.992 -10.040 10.340 1.00 0.00 C ATOM 991 C GLU A 62 -6.211 -11.391 9.656 1.00 0.00 C ATOM 992 O GLU A 62 -6.595 -12.364 10.305 1.00 0.00 O ATOM 993 CB GLU A 62 -7.200 -9.122 10.140 1.00 0.00 C ATOM 994 CG GLU A 62 -7.369 -8.172 11.327 1.00 0.00 C ATOM 995 CD GLU A 62 -7.687 -8.946 12.608 1.00 0.00 C ATOM 996 OE1 GLU A 62 -8.790 -9.530 12.658 1.00 0.00 O ATOM 997 OE2 GLU A 62 -6.819 -8.935 13.507 1.00 0.00 O ATOM 0 H GLU A 62 -4.845 -8.410 9.690 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.880 -10.210 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.075 -8.546 9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.102 -9.723 10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.457 -7.592 11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.170 -7.462 11.118 1.00 0.00 H new ATOM 1004 N LEU A 63 -5.958 -11.409 8.356 1.00 0.00 N ATOM 1005 CA LEU A 63 -6.123 -12.625 7.578 1.00 0.00 C ATOM 1006 C LEU A 63 -5.054 -13.639 7.991 1.00 0.00 C ATOM 1007 O LEU A 63 -5.376 -14.736 8.444 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.123 -12.307 6.081 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.285 -11.449 5.578 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.003 -10.913 4.173 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -8.605 -12.220 5.643 1.00 0.00 C ATOM 0 H LEU A 63 -5.640 -10.601 7.821 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.092 -13.081 7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.190 -11.799 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.127 -13.247 5.530 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.383 -10.587 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.845 -10.306 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.100 -10.302 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.863 -11.748 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.414 -11.587 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.536 -13.113 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.806 -12.510 6.674 1.00 0.00 H new ATOM 1023 N GLU A 64 -3.804 -13.235 7.821 1.00 0.00 N ATOM 1024 CA GLU A 64 -2.686 -14.095 8.170 1.00 0.00 C ATOM 1025 C GLU A 64 -2.888 -14.687 9.566 1.00 0.00 C ATOM 1026 O GLU A 64 -2.437 -15.797 9.845 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.361 -13.334 8.084 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.205 -12.657 6.721 1.00 0.00 C ATOM 1029 CD GLU A 64 0.256 -12.674 6.265 1.00 0.00 C ATOM 1030 OE1 GLU A 64 1.064 -11.987 6.925 1.00 0.00 O ATOM 1031 OE2 GLU A 64 0.530 -13.374 5.266 1.00 0.00 O ATOM 0 H GLU A 64 -3.541 -12.324 7.446 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.644 -14.914 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.316 -12.584 8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.531 -14.021 8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.826 -13.167 5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.560 -11.628 6.779 1.00 0.00 H new ATOM 1107 N ILE A 69 -5.913 -18.304 3.802 1.00 0.00 N ATOM 1108 CA ILE A 69 -5.840 -17.734 2.467 1.00 0.00 C ATOM 1109 C ILE A 69 -4.494 -17.029 2.291 1.00 0.00 C ATOM 1110 O ILE A 69 -3.901 -16.563 3.263 1.00 0.00 O ATOM 1111 CB ILE A 69 -7.046 -16.831 2.204 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.343 -17.642 2.179 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -6.854 -16.018 0.922 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.350 -17.098 3.196 1.00 0.00 C ATOM 0 HA ILE A 69 -5.889 -18.520 1.714 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.126 -16.120 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.777 -17.610 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.127 -18.687 2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.726 -15.385 0.759 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.965 -15.394 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.734 -16.695 0.076 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.263 -17.692 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.922 -17.154 4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.583 -16.060 2.958 1.00 0.00 H new ATOM 1126 N VAL A 70 -4.050 -16.972 1.044 1.00 0.00 N ATOM 1127 CA VAL A 70 -2.784 -16.332 0.728 1.00 0.00 C ATOM 1128 C VAL A 70 -3.028 -14.851 0.430 1.00 0.00 C ATOM 1129 O VAL A 70 -3.510 -14.502 -0.647 1.00 0.00 O ATOM 1130 CB VAL A 70 -2.098 -17.069 -0.424 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -0.868 -16.300 -0.911 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -1.727 -18.496 -0.017 1.00 0.00 C ATOM 0 H VAL A 70 -4.545 -17.359 0.240 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.105 -16.385 1.579 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.804 -17.130 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.399 -16.845 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.171 -15.312 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.157 -16.194 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.241 -18.998 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.046 -18.466 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.629 -19.042 0.259 1.00 0.00 H new ATOM 1142 N VAL A 71 -2.683 -14.020 1.402 1.00 0.00 N ATOM 1143 CA VAL A 71 -2.858 -12.585 1.257 1.00 0.00 C ATOM 1144 C VAL A 71 -1.674 -12.007 0.481 1.00 0.00 C ATOM 1145 O VAL A 71 -0.533 -12.420 0.683 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.045 -11.939 2.632 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.505 -10.486 2.497 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -4.021 -12.746 3.489 1.00 0.00 C ATOM 0 H VAL A 71 -2.283 -14.313 2.293 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.759 -12.366 0.685 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.079 -11.939 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.630 -10.050 3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.758 -9.918 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.455 -10.453 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.136 -12.265 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.989 -12.793 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.635 -13.756 3.627 1.00 0.00 H new ATOM 1158 N PRO A 72 -1.993 -11.035 -0.416 1.00 0.00 N ATOM 1159 CA PRO A 72 -0.968 -10.396 -1.224 1.00 0.00 C ATOM 1160 C PRO A 72 -0.150 -9.407 -0.390 1.00 0.00 C ATOM 1161 O PRO A 72 -0.569 -9.010 0.696 1.00 0.00 O ATOM 1162 CB PRO A 72 -1.723 -9.731 -2.363 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.168 -9.627 -1.901 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.333 -10.521 -0.683 1.00 0.00 C ATOM 0 HA PRO A 72 -0.234 -11.104 -1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.311 -8.746 -2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.647 -10.319 -3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.416 -8.595 -1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.846 -9.936 -2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.720 -9.962 0.169 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.036 -11.331 -0.878 1.00 0.00 H new ATOM 1172 N PRO A 73 1.032 -9.028 -0.945 1.00 0.00 N ATOM 1173 CA PRO A 73 1.912 -8.093 -0.266 1.00 0.00 C ATOM 1174 C PRO A 73 1.371 -6.665 -0.358 1.00 0.00 C ATOM 1175 O PRO A 73 0.571 -6.356 -1.239 1.00 0.00 O ATOM 1176 CB PRO A 73 3.263 -8.262 -0.942 1.00 0.00 C ATOM 1177 CG PRO A 73 2.981 -8.940 -2.273 1.00 0.00 C ATOM 1178 CD PRO A 73 1.560 -9.478 -2.230 1.00 0.00 C ATOM 0 HA PRO A 73 1.990 -8.289 0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.749 -7.298 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.933 -8.866 -0.330 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.097 -8.232 -3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.690 -9.749 -2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.966 -9.093 -3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.546 -10.565 -2.305 1.00 0.00 H new ATOM 1186 N LEU A 74 1.831 -5.832 0.564 1.00 0.00 N ATOM 1187 CA LEU A 74 1.403 -4.443 0.598 1.00 0.00 C ATOM 1188 C LEU A 74 2.488 -3.565 -0.028 1.00 0.00 C ATOM 1189 O LEU A 74 3.670 -3.904 0.018 1.00 0.00 O ATOM 1190 CB LEU A 74 1.026 -4.033 2.023 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.409 -4.344 2.452 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.528 -4.387 3.977 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.395 -3.355 1.828 1.00 0.00 C ATOM 0 H LEU A 74 2.496 -6.092 1.293 1.00 0.00 H new ATOM 0 HA LEU A 74 0.500 -4.308 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.707 -4.529 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.191 -2.961 2.127 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.669 -5.335 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.558 -4.610 4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.130 -5.161 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.241 -3.421 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.408 -3.599 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.147 -2.343 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.334 -3.417 0.741 1.00 0.00 H new ATOM 1205 N PRO A 75 2.037 -2.423 -0.614 1.00 0.00 N ATOM 1206 CA PRO A 75 2.956 -1.494 -1.248 1.00 0.00 C ATOM 1207 C PRO A 75 3.732 -0.691 -0.202 1.00 0.00 C ATOM 1208 O PRO A 75 3.153 0.122 0.517 1.00 0.00 O ATOM 1209 CB PRO A 75 2.083 -0.623 -2.138 1.00 0.00 C ATOM 1210 CG PRO A 75 0.664 -0.789 -1.620 1.00 0.00 C ATOM 1211 CD PRO A 75 0.645 -1.990 -0.688 1.00 0.00 C ATOM 0 HA PRO A 75 3.724 -1.997 -1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.396 0.420 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.157 -0.932 -3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.343 0.109 -1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.030 -0.937 -2.448 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.261 -1.722 0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.004 -2.782 -1.075 1.00 0.00 H new ATOM 1219 N GLY A 76 5.031 -0.947 -0.150 1.00 0.00 N ATOM 1220 CA GLY A 76 5.892 -0.258 0.795 1.00 0.00 C ATOM 1221 C GLY A 76 7.213 -1.008 0.982 1.00 0.00 C ATOM 1222 O GLY A 76 8.196 -0.721 0.301 1.00 0.00 O ATOM 0 H GLY A 76 5.508 -1.622 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.091 0.753 0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.384 -0.165 1.755 1.00 0.00 H new ATOM 1512 N GLU A 94 4.185 12.406 -6.777 1.00 0.00 N ATOM 1513 CA GLU A 94 2.995 11.867 -7.415 1.00 0.00 C ATOM 1514 C GLU A 94 3.122 10.352 -7.582 1.00 0.00 C ATOM 1515 O GLU A 94 2.234 9.603 -7.177 1.00 0.00 O ATOM 1516 CB GLU A 94 2.738 12.548 -8.761 1.00 0.00 C ATOM 1517 CG GLU A 94 3.918 12.343 -9.713 1.00 0.00 C ATOM 1518 CD GLU A 94 3.913 13.392 -10.827 1.00 0.00 C ATOM 1519 OE1 GLU A 94 3.734 14.581 -10.485 1.00 0.00 O ATOM 1520 OE2 GLU A 94 4.088 12.980 -11.994 1.00 0.00 O ATOM 0 HA GLU A 94 2.138 12.071 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.830 12.145 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.571 13.614 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.853 12.403 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.869 11.345 -10.148 1.00 0.00 H new ATOM 1527 N SER A 95 4.233 9.945 -8.179 1.00 0.00 N ATOM 1528 CA SER A 95 4.487 8.533 -8.405 1.00 0.00 C ATOM 1529 C SER A 95 4.208 7.740 -7.126 1.00 0.00 C ATOM 1530 O SER A 95 3.468 6.757 -7.149 1.00 0.00 O ATOM 1531 CB SER A 95 5.925 8.300 -8.870 1.00 0.00 C ATOM 1532 OG SER A 95 5.985 7.881 -10.231 1.00 0.00 O ATOM 0 H SER A 95 4.967 10.569 -8.513 1.00 0.00 H new ATOM 0 HA SER A 95 3.818 8.187 -9.193 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.499 9.219 -8.748 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.393 7.546 -8.237 1.00 0.00 H new ATOM 0 HG SER A 95 6.920 7.744 -10.490 1.00 0.00 H new ATOM 1538 N PHE A 96 4.815 8.197 -6.040 1.00 0.00 N ATOM 1539 CA PHE A 96 4.642 7.542 -4.755 1.00 0.00 C ATOM 1540 C PHE A 96 3.158 7.350 -4.433 1.00 0.00 C ATOM 1541 O PHE A 96 2.750 6.279 -3.987 1.00 0.00 O ATOM 1542 CB PHE A 96 5.266 8.457 -3.699 1.00 0.00 C ATOM 1543 CG PHE A 96 5.038 7.992 -2.259 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.839 7.034 -1.720 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.036 8.537 -1.519 1.00 0.00 C ATOM 1546 CE1 PHE A 96 5.627 6.602 -0.384 1.00 0.00 C ATOM 1547 CE2 PHE A 96 3.825 8.105 -0.183 1.00 0.00 C ATOM 1548 CZ PHE A 96 4.625 7.147 0.356 1.00 0.00 C ATOM 0 H PHE A 96 5.427 9.013 -6.024 1.00 0.00 H new ATOM 0 HA PHE A 96 5.113 6.559 -4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.338 8.527 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.857 9.461 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.636 6.602 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 96 3.401 9.298 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.262 5.840 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.029 8.537 0.405 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.465 6.819 1.372 1.00 0.00 H new ATOM 1558 N ILE A 97 2.392 8.404 -4.673 1.00 0.00 N ATOM 1559 CA ILE A 97 0.963 8.365 -4.414 1.00 0.00 C ATOM 1560 C ILE A 97 0.324 7.269 -5.269 1.00 0.00 C ATOM 1561 O ILE A 97 -0.392 6.412 -4.753 1.00 0.00 O ATOM 1562 CB ILE A 97 0.342 9.748 -4.624 1.00 0.00 C ATOM 1563 CG1 ILE A 97 0.564 10.639 -3.400 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -1.139 9.634 -4.989 1.00 0.00 C ATOM 1565 CD1 ILE A 97 0.369 12.115 -3.754 1.00 0.00 C ATOM 0 H ILE A 97 2.734 9.290 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 97 0.772 8.110 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 97 0.845 10.225 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.131 10.356 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.570 10.484 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.556 10.631 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.244 9.061 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.674 9.129 -4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.532 12.727 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.081 12.401 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.646 12.270 -4.120 1.00 0.00 H new ATOM 1577 N GLU A 98 0.607 7.331 -6.562 1.00 0.00 N ATOM 1578 CA GLU A 98 0.069 6.354 -7.494 1.00 0.00 C ATOM 1579 C GLU A 98 0.428 4.937 -7.043 1.00 0.00 C ATOM 1580 O GLU A 98 -0.456 4.113 -6.810 1.00 0.00 O ATOM 1581 CB GLU A 98 0.568 6.619 -8.916 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.559 6.441 -9.935 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.144 6.970 -11.309 1.00 0.00 C ATOM 1584 OE1 GLU A 98 0.759 6.347 -11.908 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -0.740 7.984 -11.730 1.00 0.00 O ATOM 0 H GLU A 98 1.202 8.043 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.017 6.448 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.967 7.631 -8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.386 5.938 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.822 5.386 -10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.450 6.967 -9.593 1.00 0.00 H new ATOM 1592 N GLU A 99 1.726 4.696 -6.932 1.00 0.00 N ATOM 1593 CA GLU A 99 2.212 3.393 -6.513 1.00 0.00 C ATOM 1594 C GLU A 99 1.326 2.828 -5.401 1.00 0.00 C ATOM 1595 O GLU A 99 0.704 1.780 -5.569 1.00 0.00 O ATOM 1596 CB GLU A 99 3.673 3.471 -6.063 1.00 0.00 C ATOM 1597 CG GLU A 99 4.516 2.394 -6.749 1.00 0.00 C ATOM 1598 CD GLU A 99 4.998 1.350 -5.740 1.00 0.00 C ATOM 1599 OE1 GLU A 99 5.987 1.652 -5.039 1.00 0.00 O ATOM 1600 OE2 GLU A 99 4.365 0.273 -5.692 1.00 0.00 O ATOM 0 H GLU A 99 2.456 5.382 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 99 2.164 2.718 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.077 4.457 -6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.731 3.349 -4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.928 1.908 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.374 2.855 -7.238 1.00 0.00 H new ATOM 1607 N ARG A 100 1.297 3.547 -4.288 1.00 0.00 N ATOM 1608 CA ARG A 100 0.497 3.131 -3.149 1.00 0.00 C ATOM 1609 C ARG A 100 -0.981 3.057 -3.537 1.00 0.00 C ATOM 1610 O ARG A 100 -1.656 2.071 -3.243 1.00 0.00 O ATOM 1611 CB ARG A 100 0.662 4.100 -1.977 1.00 0.00 C ATOM 1612 CG ARG A 100 0.838 3.342 -0.659 1.00 0.00 C ATOM 1613 CD ARG A 100 0.177 4.094 0.498 1.00 0.00 C ATOM 1614 NE ARG A 100 0.505 5.535 0.419 1.00 0.00 N ATOM 1615 CZ ARG A 100 -0.009 6.468 1.231 1.00 0.00 C ATOM 1616 NH1 ARG A 100 -0.880 6.118 2.188 1.00 0.00 N ATOM 1617 NH2 ARG A 100 0.346 7.752 1.087 1.00 0.00 N ATOM 0 H ARG A 100 1.815 4.415 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 100 0.845 2.145 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.526 4.742 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -0.210 4.751 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.402 2.347 -0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.900 3.208 -0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.904 3.956 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.519 3.687 1.450 1.00 0.00 H new ATOM 0 HE ARG A 100 1.164 5.837 -0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.151 5.141 2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.271 6.829 2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.008 8.019 0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.046 8.462 1.706 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.442 4.113 -4.191 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.828 4.180 -4.622 1.00 0.00 C ATOM 1633 C ARG A 101 -3.213 2.903 -5.372 1.00 0.00 C ATOM 1634 O ARG A 101 -4.122 2.186 -4.957 1.00 0.00 O ATOM 1635 CB ARG A 101 -3.064 5.388 -5.531 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.560 5.670 -5.690 1.00 0.00 C ATOM 1637 CD ARG A 101 -4.811 6.673 -6.818 1.00 0.00 C ATOM 1638 NE ARG A 101 -4.685 6.001 -8.131 1.00 0.00 N ATOM 1639 CZ ARG A 101 -4.627 6.648 -9.303 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -4.684 7.986 -9.334 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -4.513 5.956 -10.445 1.00 0.00 N ATOM 0 H ARG A 101 -0.880 4.929 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.448 4.283 -3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.567 6.264 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.619 5.204 -6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.089 4.740 -5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.962 6.060 -4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.806 7.106 -6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.098 7.494 -6.751 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.640 4.982 -8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.772 8.513 -8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.640 8.478 -10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.470 4.937 -10.422 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.469 6.448 -11.337 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.503 2.658 -6.463 1.00 0.00 N ATOM 1656 CA GLN A 102 -2.759 1.480 -7.274 1.00 0.00 C ATOM 1657 C GLN A 102 -2.444 0.211 -6.481 1.00 0.00 C ATOM 1658 O GLN A 102 -3.242 -0.725 -6.458 1.00 0.00 O ATOM 1659 CB GLN A 102 -1.956 1.526 -8.576 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.783 2.139 -9.708 1.00 0.00 C ATOM 1661 CD GLN A 102 -2.225 1.737 -11.075 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -2.592 0.726 -11.650 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -1.320 2.582 -11.560 1.00 0.00 N ATOM 0 H GLN A 102 -1.750 3.255 -6.805 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.817 1.467 -7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.048 2.110 -8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -1.646 0.518 -8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.819 1.812 -9.624 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.783 3.225 -9.616 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.058 3.411 -11.026 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.888 2.402 -12.466 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.279 0.219 -5.849 1.00 0.00 N ATOM 1673 CA GLY A 103 -0.849 -0.920 -5.056 1.00 0.00 C ATOM 1674 C GLY A 103 -1.995 -1.450 -4.191 1.00 0.00 C ATOM 1675 O GLY A 103 -2.427 -2.589 -4.358 1.00 0.00 O ATOM 0 H GLY A 103 -0.620 0.997 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.490 -1.711 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.013 -0.630 -4.420 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.454 -0.598 -3.287 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.541 -0.966 -2.396 1.00 0.00 C ATOM 1681 C LEU A 104 -4.718 -1.487 -3.222 1.00 0.00 C ATOM 1682 O LEU A 104 -5.187 -2.604 -3.006 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.903 0.205 -1.480 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.780 0.726 -0.581 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -3.102 2.127 -0.058 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.486 -0.256 0.554 1.00 0.00 C ATOM 0 H LEU A 104 -2.093 0.346 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.233 -1.775 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.257 1.029 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.737 -0.099 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.873 0.807 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.288 2.474 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.222 2.810 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.026 2.096 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.684 0.139 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.383 -0.392 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.182 -1.215 0.135 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.162 -0.654 -4.152 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.276 -1.016 -5.012 1.00 0.00 C ATOM 1700 C GLU A 105 -6.055 -2.408 -5.608 1.00 0.00 C ATOM 1701 O GLU A 105 -6.945 -3.255 -5.563 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.480 0.026 -6.113 1.00 0.00 C ATOM 1703 CG GLU A 105 -7.931 0.034 -6.598 1.00 0.00 C ATOM 1704 CD GLU A 105 -8.006 0.334 -8.097 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.975 1.536 -8.437 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -8.093 -0.646 -8.868 1.00 0.00 O ATOM 0 H GLU A 105 -4.770 0.271 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.183 -1.040 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.213 1.014 -5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.814 -0.188 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.392 -0.932 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.499 0.782 -6.045 1.00 0.00 H new ATOM 1713 N GLN A 106 -4.862 -2.601 -6.153 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.513 -3.875 -6.757 1.00 0.00 C ATOM 1715 C GLN A 106 -4.591 -4.995 -5.717 1.00 0.00 C ATOM 1716 O GLN A 106 -5.109 -6.074 -6.000 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.124 -3.817 -7.396 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.225 -3.675 -8.916 1.00 0.00 C ATOM 1719 CD GLN A 106 -2.330 -4.695 -9.622 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -2.314 -5.873 -9.303 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -1.587 -4.179 -10.598 1.00 0.00 N ATOM 0 H GLN A 106 -4.126 -1.896 -6.189 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.232 -4.089 -7.548 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.566 -2.976 -6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.568 -4.721 -7.148 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.259 -3.814 -9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.936 -2.666 -9.211 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.648 -3.184 -10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.956 -4.778 -11.130 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.070 -4.700 -4.536 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.074 -5.668 -3.453 1.00 0.00 C ATOM 1732 C PHE A 107 -5.504 -6.033 -3.050 1.00 0.00 C ATOM 1733 O PHE A 107 -5.898 -7.196 -3.131 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.374 -5.011 -2.262 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.685 -5.668 -0.916 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.761 -5.258 -0.192 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -2.887 -6.662 -0.444 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.051 -5.868 1.057 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.176 -7.272 0.805 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.252 -6.862 1.530 1.00 0.00 C ATOM 0 H PHE A 107 -3.642 -3.804 -4.305 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.569 -6.581 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.297 -5.038 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.664 -3.961 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.395 -4.468 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.033 -6.988 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.906 -5.543 1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.542 -8.062 1.180 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.472 -7.326 2.480 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.243 -5.019 -2.624 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.621 -5.219 -2.209 1.00 0.00 C ATOM 1752 C ILE A 108 -8.420 -5.804 -3.374 1.00 0.00 C ATOM 1753 O ILE A 108 -9.400 -6.518 -3.163 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.206 -3.919 -1.652 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.362 -4.206 -0.692 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.621 -2.976 -2.784 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -8.843 -4.718 0.654 1.00 0.00 C ATOM 0 H ILE A 108 -5.913 -4.056 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.673 -5.940 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.430 -3.412 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.946 -3.299 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.031 -4.945 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.034 -2.060 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.751 -2.735 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.375 -3.461 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.685 -4.914 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.280 -5.638 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.194 -3.966 1.104 1.00 0.00 H new ATOM 1769 N ASN A 109 -7.973 -5.481 -4.578 1.00 0.00 N ATOM 1770 CA ASN A 109 -8.635 -5.966 -5.778 1.00 0.00 C ATOM 1771 C ASN A 109 -8.606 -7.496 -5.788 1.00 0.00 C ATOM 1772 O ASN A 109 -9.654 -8.140 -5.785 1.00 0.00 O ATOM 1773 CB ASN A 109 -7.924 -5.471 -7.038 1.00 0.00 C ATOM 1774 CG ASN A 109 -8.750 -4.396 -7.748 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -9.163 -4.545 -8.886 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -8.966 -3.308 -7.015 1.00 0.00 N ATOM 0 H ASN A 109 -7.160 -4.889 -4.749 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.659 -5.593 -5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.946 -5.068 -6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.751 -6.308 -7.715 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.507 -2.533 -7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.591 -3.248 -6.068 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.395 -8.032 -5.799 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.215 -9.474 -5.810 1.00 0.00 C ATOM 1785 C LYS A 110 -7.798 -10.066 -4.525 1.00 0.00 C ATOM 1786 O LYS A 110 -8.391 -11.144 -4.547 1.00 0.00 O ATOM 1787 CB LYS A 110 -5.744 -9.829 -6.038 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.555 -10.549 -7.374 1.00 0.00 C ATOM 1789 CD LYS A 110 -4.829 -11.882 -7.181 1.00 0.00 C ATOM 1790 CE LYS A 110 -3.325 -11.666 -6.997 1.00 0.00 C ATOM 1791 NZ LYS A 110 -2.668 -12.925 -6.581 1.00 0.00 N ATOM 0 H LYS A 110 -6.528 -7.494 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.759 -9.919 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.140 -8.922 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.389 -10.463 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.526 -10.724 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.986 -9.916 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.235 -12.399 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.005 -12.524 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.886 -11.310 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.151 -10.893 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.648 -12.761 -6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.075 -13.248 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.818 -13.652 -7.309 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.610 -9.335 -3.436 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.111 -9.774 -2.144 1.00 0.00 C ATOM 1807 C ILE A 111 -9.635 -9.888 -2.205 1.00 0.00 C ATOM 1808 O ILE A 111 -10.196 -10.935 -1.883 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.607 -8.851 -1.033 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.706 -9.610 -0.056 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.773 -8.163 -0.321 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.484 -10.032 1.192 1.00 0.00 C ATOM 0 H ILE A 111 -7.118 -8.442 -3.422 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.727 -10.765 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.001 -8.068 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.293 -10.491 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.864 -8.981 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.387 -7.513 0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.338 -7.569 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.426 -8.916 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.821 -10.569 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.875 -9.147 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.311 -10.681 0.903 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.262 -8.798 -2.620 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.711 -8.762 -2.726 1.00 0.00 C ATOM 1826 C ALA A 112 -12.186 -9.954 -3.560 1.00 0.00 C ATOM 1827 O ALA A 112 -12.905 -10.818 -3.061 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.147 -7.423 -3.323 1.00 0.00 C ATOM 0 H ALA A 112 -9.793 -7.932 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.170 -8.844 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.234 -7.397 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -11.810 -6.611 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.708 -7.306 -4.314 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.765 -9.962 -4.817 1.00 0.00 N ATOM 1835 CA GLY A 113 -12.138 -11.033 -5.724 1.00 0.00 C ATOM 1836 C GLY A 113 -12.165 -12.381 -5.000 1.00 0.00 C ATOM 1837 O GLY A 113 -12.993 -13.237 -5.307 1.00 0.00 O ATOM 0 H GLY A 113 -11.169 -9.243 -5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -13.119 -10.827 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.431 -11.075 -6.553 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.250 -12.526 -4.054 1.00 0.00 N ATOM 1842 CA HIS A 114 -11.159 -13.755 -3.284 1.00 0.00 C ATOM 1843 C HIS A 114 -12.526 -14.086 -2.681 1.00 0.00 C ATOM 1844 O HIS A 114 -13.127 -13.254 -2.003 1.00 0.00 O ATOM 1845 CB HIS A 114 -10.055 -13.655 -2.229 1.00 0.00 C ATOM 1846 CG HIS A 114 -9.284 -14.937 -2.023 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.773 -15.994 -1.275 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -8.056 -15.321 -2.476 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.871 -16.964 -1.283 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.808 -16.546 -2.027 1.00 0.00 N ATOM 0 H HIS A 114 -10.565 -11.813 -3.803 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.881 -14.579 -3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.360 -12.868 -2.519 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.499 -13.354 -1.280 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.397 -14.729 -3.095 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.962 -17.919 -0.787 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -6.962 -17.085 -2.209 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.989 -15.334 -2.958 1.00 0.00 N ATOM 1859 CA PRO A 115 -14.274 -15.785 -2.451 1.00 0.00 C ATOM 1860 C PRO A 115 -14.191 -16.109 -0.958 1.00 0.00 C ATOM 1861 O PRO A 115 -15.124 -15.830 -0.206 1.00 0.00 O ATOM 1862 CB PRO A 115 -14.631 -16.993 -3.302 1.00 0.00 C ATOM 1863 CG PRO A 115 -13.330 -17.453 -3.938 1.00 0.00 C ATOM 1864 CD PRO A 115 -12.305 -16.345 -3.758 1.00 0.00 C ATOM 0 HA PRO A 115 -15.047 -15.020 -2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -15.069 -17.784 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -15.367 -16.731 -4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.982 -18.374 -3.471 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -13.478 -17.668 -4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -11.411 -16.711 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.986 -15.941 -4.719 1.00 0.00 H new ATOM 1872 N LEU A 116 -13.066 -16.694 -0.573 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.849 -17.059 0.816 1.00 0.00 C ATOM 1874 C LEU A 116 -12.857 -15.795 1.678 1.00 0.00 C ATOM 1875 O LEU A 116 -13.371 -15.804 2.796 1.00 0.00 O ATOM 1876 CB LEU A 116 -11.574 -17.892 0.958 1.00 0.00 C ATOM 1877 CG LEU A 116 -11.360 -18.977 -0.099 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -10.389 -20.048 0.402 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -12.695 -19.577 -0.546 1.00 0.00 C ATOM 0 H LEU A 116 -12.295 -16.924 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.659 -17.695 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.718 -17.217 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.581 -18.365 1.940 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.905 -18.515 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.255 -20.807 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.427 -19.589 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.792 -20.512 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.515 -20.346 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.200 -20.020 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.322 -18.793 -0.971 1.00 0.00 H new ATOM 1891 N ALA A 117 -12.281 -14.737 1.126 1.00 0.00 N ATOM 1892 CA ALA A 117 -12.215 -13.468 1.831 1.00 0.00 C ATOM 1893 C ALA A 117 -13.608 -12.834 1.863 1.00 0.00 C ATOM 1894 O ALA A 117 -14.032 -12.313 2.893 1.00 0.00 O ATOM 1895 CB ALA A 117 -11.179 -12.564 1.159 1.00 0.00 C ATOM 0 H ALA A 117 -11.856 -14.733 0.199 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.897 -13.618 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.129 -11.612 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.202 -13.046 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.467 -12.389 0.122 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.280 -12.901 0.723 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.615 -12.341 0.608 1.00 0.00 C ATOM 1903 C GLN A 118 -16.474 -12.765 1.801 1.00 0.00 C ATOM 1904 O GLN A 118 -17.434 -12.083 2.154 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.270 -12.751 -0.712 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.833 -11.828 -1.851 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.377 -12.320 -3.195 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -17.403 -12.974 -3.276 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.632 -11.970 -4.240 1.00 0.00 N ATOM 0 H GLN A 118 -13.924 -13.335 -0.129 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.533 -11.254 0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -16.003 -13.780 -0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.355 -12.719 -0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -16.188 -10.815 -1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.745 -11.782 -1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.784 -11.421 -4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.909 -12.251 -5.181 1.00 0.00 H new ATOM 1918 N ASN A 119 -16.096 -13.890 2.391 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.819 -14.414 3.537 1.00 0.00 C ATOM 1920 C ASN A 119 -16.222 -13.833 4.820 1.00 0.00 C ATOM 1921 O ASN A 119 -16.947 -13.542 5.770 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.706 -15.938 3.610 1.00 0.00 C ATOM 1923 CG ASN A 119 -18.059 -16.573 3.938 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -19.103 -15.945 3.866 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -17.983 -17.850 4.301 1.00 0.00 N ATOM 0 H ASN A 119 -15.298 -14.453 2.096 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.867 -14.135 3.431 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -16.340 -16.325 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.976 -16.216 4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -18.831 -18.364 4.540 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -17.076 -18.316 4.340 1.00 0.00 H new ATOM 1932 N GLU A 120 -14.906 -13.682 4.807 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.203 -13.141 5.957 1.00 0.00 C ATOM 1934 C GLU A 120 -14.888 -11.863 6.445 1.00 0.00 C ATOM 1935 O GLU A 120 -15.227 -10.992 5.646 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.731 -12.883 5.629 1.00 0.00 C ATOM 1937 CG GLU A 120 -11.894 -14.148 5.833 1.00 0.00 C ATOM 1938 CD GLU A 120 -11.993 -14.645 7.276 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -11.867 -13.791 8.180 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -12.193 -15.867 7.443 1.00 0.00 O ATOM 0 H GLU A 120 -14.308 -13.925 4.017 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.238 -13.878 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.639 -12.544 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.348 -12.083 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.235 -14.928 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -10.852 -13.943 5.586 1.00 0.00 H new ATOM 1947 N ARG A 121 -15.071 -11.790 7.756 1.00 0.00 N ATOM 1948 CA ARG A 121 -15.709 -10.633 8.360 1.00 0.00 C ATOM 1949 C ARG A 121 -14.714 -9.476 8.472 1.00 0.00 C ATOM 1950 O ARG A 121 -15.041 -8.337 8.142 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.251 -10.967 9.751 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.745 -11.292 9.693 1.00 0.00 C ATOM 1953 CD ARG A 121 -18.568 -10.038 9.394 1.00 0.00 C ATOM 1954 NE ARG A 121 -20.008 -10.319 9.591 1.00 0.00 N ATOM 1955 CZ ARG A 121 -20.937 -9.375 9.792 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -20.583 -8.083 9.825 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -22.220 -9.722 9.960 1.00 0.00 N ATOM 0 H ARG A 121 -14.788 -12.514 8.416 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.541 -10.340 7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -15.706 -11.816 10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -16.084 -10.125 10.422 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.928 -12.043 8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.064 -11.723 10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.255 -9.223 10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -18.390 -9.711 8.369 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.312 -11.292 9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -19.606 -7.818 9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.290 -7.364 9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.490 -10.705 9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.927 -9.003 10.113 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.519 -9.809 8.937 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.474 -8.812 9.097 1.00 0.00 C ATOM 1973 C CYS A 122 -12.459 -7.928 7.848 1.00 0.00 C ATOM 1974 O CYS A 122 -12.394 -6.704 7.950 1.00 0.00 O ATOM 1975 CB CYS A 122 -11.111 -9.457 9.356 1.00 0.00 C ATOM 1976 SG CYS A 122 -10.894 -10.917 8.275 1.00 0.00 S ATOM 0 H CYS A 122 -13.251 -10.755 9.208 1.00 0.00 H new ATOM 0 HA CYS A 122 -12.684 -8.199 9.973 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.316 -8.735 9.169 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -11.033 -9.754 10.402 1.00 0.00 H new ATOM 0 HG CYS A 122 -11.612 -11.902 8.726 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.519 -8.583 6.698 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.513 -7.872 5.431 1.00 0.00 C ATOM 1984 C LEU A 123 -13.774 -7.010 5.328 1.00 0.00 C ATOM 1985 O LEU A 123 -13.688 -5.788 5.220 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.341 -8.851 4.268 1.00 0.00 C ATOM 1987 CG LEU A 123 -12.645 -8.297 2.874 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.368 -7.812 2.186 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.397 -9.326 2.028 1.00 0.00 C ATOM 0 H LEU A 123 -12.572 -9.598 6.617 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.659 -7.196 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.314 -9.217 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -12.987 -9.711 4.444 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.299 -7.432 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -11.612 -7.423 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -10.910 -7.023 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.670 -8.643 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -13.601 -8.908 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.789 -10.224 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.338 -9.580 2.516 1.00 0.00 H new ATOM 2001 N HIS A 124 -14.915 -7.682 5.365 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.192 -6.994 5.278 1.00 0.00 C ATOM 2003 C HIS A 124 -16.129 -5.692 6.079 1.00 0.00 C ATOM 2004 O HIS A 124 -16.519 -4.635 5.585 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.334 -7.909 5.722 1.00 0.00 C ATOM 2006 CG HIS A 124 -18.088 -8.549 4.580 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -18.982 -7.850 3.788 1.00 0.00 N ATOM 2008 CD2 HIS A 124 -18.071 -9.828 4.107 1.00 0.00 C ATOM 2009 CE1 HIS A 124 -19.475 -8.681 2.882 1.00 0.00 C ATOM 2010 NE2 HIS A 124 -18.910 -9.907 3.081 1.00 0.00 N ATOM 0 H HIS A 124 -14.982 -8.696 5.454 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.398 -6.732 4.240 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -16.930 -8.693 6.362 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.033 -7.333 6.328 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -19.221 -6.863 3.885 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -17.476 -10.639 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -20.198 -8.432 2.119 1.00 0.00 H new ATOM 2018 N MET A 125 -15.635 -5.812 7.303 1.00 0.00 N ATOM 2019 CA MET A 125 -15.516 -4.658 8.178 1.00 0.00 C ATOM 2020 C MET A 125 -14.639 -3.576 7.543 1.00 0.00 C ATOM 2021 O MET A 125 -15.060 -2.428 7.415 1.00 0.00 O ATOM 2022 CB MET A 125 -14.907 -5.090 9.513 1.00 0.00 C ATOM 2023 CG MET A 125 -15.619 -4.412 10.686 1.00 0.00 C ATOM 2024 SD MET A 125 -14.422 -3.651 11.769 1.00 0.00 S ATOM 2025 CE MET A 125 -13.662 -5.109 12.464 1.00 0.00 C ATOM 0 H MET A 125 -15.313 -6.690 7.709 1.00 0.00 H new ATOM 0 HA MET A 125 -16.511 -4.244 8.339 1.00 0.00 H new ATOM 0 HB2 MET A 125 -14.979 -6.173 9.616 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.847 -4.838 9.532 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.315 -3.660 10.314 1.00 0.00 H new ATOM 0 HG3 MET A 125 -16.207 -5.145 11.238 1.00 0.00 H new ATOM 0 HE1 MET A 125 -12.973 -4.817 13.257 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.433 -5.761 12.875 1.00 0.00 H new ATOM 0 HE3 MET A 125 -13.115 -5.640 11.685 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.437 -3.982 7.163 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.497 -3.062 6.545 1.00 0.00 C ATOM 2037 C PHE A 126 -13.218 -2.089 5.610 1.00 0.00 C ATOM 2038 O PHE A 126 -12.801 -0.941 5.462 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.518 -3.906 5.727 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.318 -3.123 5.192 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.314 -2.757 6.034 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -10.254 -2.792 3.874 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -8.200 -2.030 5.537 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -9.140 -2.065 3.378 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.137 -1.699 4.220 1.00 0.00 C ATOM 0 H PHE A 126 -13.092 -4.936 7.271 1.00 0.00 H new ATOM 0 HA PHE A 126 -11.988 -2.478 7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.156 -4.727 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -12.052 -4.351 4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.364 -3.019 7.080 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.051 -3.082 3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.403 -1.740 6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.089 -1.803 2.332 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.290 -1.145 3.842 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.287 -2.583 5.003 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.069 -1.771 4.087 1.00 0.00 C ATOM 2057 C LEU A 127 -16.415 -1.434 4.732 1.00 0.00 C ATOM 2058 O LEU A 127 -16.845 -2.108 5.667 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.195 -2.465 2.729 1.00 0.00 C ATOM 2060 CG LEU A 127 -13.921 -3.121 2.191 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.257 -4.311 1.290 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.034 -2.096 1.482 1.00 0.00 C ATOM 0 H LEU A 127 -14.630 -3.536 5.128 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.563 -0.826 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.970 -3.228 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.539 -1.732 1.999 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.352 -3.508 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.335 -4.760 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.818 -5.052 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -14.858 -3.971 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.136 -2.588 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.581 -1.658 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -12.753 -1.311 2.184 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.043 -0.392 4.207 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.331 0.042 4.720 1.00 0.00 C ATOM 2076 C GLN A 128 -18.161 0.712 6.085 1.00 0.00 C ATOM 2077 O GLN A 128 -18.567 1.857 6.273 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.311 -1.130 4.803 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.434 -1.839 3.453 1.00 0.00 C ATOM 2080 CD GLN A 128 -20.277 -3.110 3.576 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.610 -3.563 4.659 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.602 -3.659 2.409 1.00 0.00 N ATOM 0 H GLN A 128 -16.683 0.164 3.431 1.00 0.00 H new ATOM 0 HA GLN A 128 -18.748 0.774 4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -18.973 -1.838 5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.290 -0.769 5.118 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -19.888 -1.166 2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.442 -2.091 3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.290 -3.228 1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -21.163 -4.511 2.385 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.559 -0.031 7.002 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.330 0.477 8.344 1.00 0.00 C ATOM 2093 C GLU A 129 -16.200 1.508 8.335 1.00 0.00 C ATOM 2094 O GLU A 129 -15.031 1.153 8.188 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.023 -0.664 9.317 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.313 -1.292 9.849 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.443 -1.083 11.359 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -18.144 0.046 11.803 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -18.839 -2.057 12.034 1.00 0.00 O ATOM 0 H GLU A 129 -17.223 -0.981 6.842 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.241 0.968 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.424 -1.424 8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.428 -0.287 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.172 -0.852 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.322 -2.358 9.624 1.00 0.00 H new ATOM 2106 N GLU A 130 -16.587 2.765 8.495 1.00 0.00 N ATOM 2107 CA GLU A 130 -15.621 3.850 8.507 1.00 0.00 C ATOM 2108 C GLU A 130 -14.481 3.535 9.477 1.00 0.00 C ATOM 2109 O GLU A 130 -13.309 3.648 9.122 1.00 0.00 O ATOM 2110 CB GLU A 130 -16.293 5.178 8.862 1.00 0.00 C ATOM 2111 CG GLU A 130 -17.439 4.965 9.854 1.00 0.00 C ATOM 2112 CD GLU A 130 -18.796 5.112 9.164 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -18.961 6.121 8.445 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -19.638 4.212 9.371 1.00 0.00 O ATOM 0 H GLU A 130 -17.557 3.056 8.617 1.00 0.00 H new ATOM 0 HA GLU A 130 -15.202 3.949 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -15.558 5.858 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -16.674 5.650 7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -17.359 3.974 10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -17.360 5.687 10.667 1.00 0.00 H new ATOM 2121 N ALA A 131 -14.865 3.147 10.685 1.00 0.00 N ATOM 2122 CA ALA A 131 -13.890 2.815 11.709 1.00 0.00 C ATOM 2123 C ALA A 131 -13.953 1.314 12.000 1.00 0.00 C ATOM 2124 O ALA A 131 -15.022 0.779 12.288 1.00 0.00 O ATOM 2125 CB ALA A 131 -14.150 3.662 12.956 1.00 0.00 C ATOM 0 H ALA A 131 -15.838 3.055 10.977 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.881 3.042 11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.418 3.413 13.724 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.064 4.719 12.703 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -15.153 3.459 13.331 1.00 0.00 H new ATOM 2131 N ILE A 132 -12.794 0.678 11.915 1.00 0.00 N ATOM 2132 CA ILE A 132 -12.704 -0.750 12.166 1.00 0.00 C ATOM 2133 C ILE A 132 -12.691 -0.999 13.676 1.00 0.00 C ATOM 2134 O ILE A 132 -11.731 -0.645 14.358 1.00 0.00 O ATOM 2135 CB ILE A 132 -11.501 -1.348 11.434 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -11.788 -1.497 9.938 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -11.075 -2.673 12.070 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.533 -1.937 9.180 1.00 0.00 C ATOM 0 H ILE A 132 -11.909 1.126 11.676 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.579 -1.263 11.766 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.663 -0.658 11.534 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.583 -2.227 9.788 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.146 -0.549 9.537 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -10.218 -3.077 11.531 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.802 -2.505 13.112 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -11.901 -3.382 12.021 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.764 -2.035 8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -9.748 -1.192 9.313 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.192 -2.897 9.567 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.767 -1.606 14.153 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.892 -1.906 15.569 1.00 0.00 C ATOM 2152 C ASP A 133 -12.998 -3.099 15.913 1.00 0.00 C ATOM 2153 O ASP A 133 -13.396 -4.249 15.735 1.00 0.00 O ATOM 2154 CB ASP A 133 -15.332 -2.275 15.930 1.00 0.00 C ATOM 2155 CG ASP A 133 -16.379 -1.217 15.574 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -16.030 -0.020 15.667 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -17.504 -1.629 15.218 1.00 0.00 O ATOM 0 H ASP A 133 -14.561 -1.899 13.584 1.00 0.00 H new ATOM 0 HA ASP A 133 -13.597 -1.019 16.129 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.591 -3.205 15.424 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.384 -2.470 17.001 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.807 -2.784 16.401 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.854 -3.816 16.772 1.00 0.00 C ATOM 2164 C ARG A 134 -11.364 -4.600 17.982 1.00 0.00 C ATOM 2165 O ARG A 134 -10.823 -4.475 19.080 1.00 0.00 O ATOM 2166 CB ARG A 134 -9.488 -3.211 17.103 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.677 -2.959 15.831 1.00 0.00 C ATOM 2168 CD ARG A 134 -7.978 -1.599 15.887 1.00 0.00 C ATOM 2169 NE ARG A 134 -7.156 -1.502 17.114 1.00 0.00 N ATOM 2170 CZ ARG A 134 -6.270 -0.525 17.350 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -6.086 0.445 16.444 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -5.568 -0.518 18.491 1.00 0.00 N ATOM 0 H ARG A 134 -11.480 -1.829 16.548 1.00 0.00 H new ATOM 0 HA ARG A 134 -10.744 -4.487 15.920 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.623 -2.274 17.644 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.938 -3.884 17.762 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.936 -3.748 15.706 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -9.334 -2.999 14.962 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.349 -1.468 15.007 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -8.719 -0.799 15.871 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.271 -2.224 17.825 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -6.620 0.439 15.575 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -5.412 1.189 16.623 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.708 -1.257 19.180 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -4.894 0.226 18.670 1.00 0.00 H new