USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 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 Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -92:sc= -0.0437 USER MOD Single : A 31 THR OG1 : rot -77:sc= 0.87 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.14) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.326 USER MOD Single : A 47 CYS SG : rot 75:sc= -0.95 USER MOD Single : A 48 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.078) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -127:sc= -0.0946 (180deg=-0.884) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -171:sc= -0.977 (180deg=-1.26) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 157:sc= -2.23 (180deg=-4.61!) USER MOD Single : A 71 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.31) USER MOD Single : A 72 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.201 X(o=0.2,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0459 K(o=-0.046,f=-0.63) USER MOD Single : A 90 GLN : amide:sc= -2.74 X(o=-2.7,f=-3.2!) USER MOD Single : A 94 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 130:sc= -1.18 USER MOD Single : A 99 SER OG : rot 180:sc= 0.256 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 18 2.400 10.442 -6.191 1.00 0.00 N ATOM 127 CA PHE A 18 1.758 9.169 -6.494 1.00 0.00 C ATOM 128 C PHE A 18 2.564 8.384 -7.525 1.00 0.00 C ATOM 129 O PHE A 18 2.591 7.154 -7.503 1.00 0.00 O ATOM 130 CB PHE A 18 0.337 9.401 -7.011 1.00 0.00 C ATOM 131 CG PHE A 18 -0.341 8.146 -7.484 1.00 0.00 C ATOM 132 CD1 PHE A 18 -0.284 6.985 -6.730 1.00 0.00 C ATOM 133 CD2 PHE A 18 -1.035 8.129 -8.684 1.00 0.00 C ATOM 134 CE1 PHE A 18 -0.907 5.830 -7.164 1.00 0.00 C ATOM 135 CE2 PHE A 18 -1.659 6.977 -9.123 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.596 5.826 -8.361 1.00 0.00 C ATOM 0 HA PHE A 18 1.713 8.586 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.261 9.851 -6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.370 10.118 -7.831 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.253 6.982 -5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.089 9.026 -9.283 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.855 4.931 -6.567 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.195 6.976 -10.060 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.085 4.925 -8.701 1.00 0.00 H new ATOM 146 N SER A 19 3.221 9.107 -8.427 1.00 0.00 N ATOM 147 CA SER A 19 4.026 8.479 -9.469 1.00 0.00 C ATOM 148 C SER A 19 5.060 7.535 -8.863 1.00 0.00 C ATOM 149 O SER A 19 5.417 6.521 -9.462 1.00 0.00 O ATOM 150 CB SER A 19 4.726 9.545 -10.314 1.00 0.00 C ATOM 151 OG SER A 19 3.841 10.096 -11.275 1.00 0.00 O ATOM 0 H SER A 19 3.212 10.127 -8.457 1.00 0.00 H new ATOM 0 HA SER A 19 3.360 7.898 -10.107 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.104 10.337 -9.667 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.588 9.107 -10.818 1.00 0.00 H new ATOM 0 HG SER A 19 4.312 10.776 -11.801 1.00 0.00 H new ATOM 157 N ASP A 20 5.536 7.876 -7.670 1.00 0.00 N ATOM 158 CA ASP A 20 6.529 7.060 -6.981 1.00 0.00 C ATOM 159 C ASP A 20 5.865 5.888 -6.265 1.00 0.00 C ATOM 160 O ASP A 20 6.409 4.785 -6.221 1.00 0.00 O ATOM 161 CB ASP A 20 7.312 7.910 -5.980 1.00 0.00 C ATOM 162 CG ASP A 20 8.610 7.251 -5.553 1.00 0.00 C ATOM 163 OD1 ASP A 20 8.551 6.248 -4.812 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.685 7.741 -5.960 1.00 0.00 O ATOM 0 H ASP A 20 5.250 8.712 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 20 7.219 6.663 -7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.530 8.881 -6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.694 8.093 -5.101 1.00 0.00 H new ATOM 169 N VAL A 21 4.687 6.135 -5.703 1.00 0.00 N ATOM 170 CA VAL A 21 3.948 5.102 -4.987 1.00 0.00 C ATOM 171 C VAL A 21 3.630 3.923 -5.900 1.00 0.00 C ATOM 172 O VAL A 21 3.630 2.770 -5.468 1.00 0.00 O ATOM 173 CB VAL A 21 2.634 5.653 -4.402 1.00 0.00 C ATOM 174 CG1 VAL A 21 1.973 4.618 -3.505 1.00 0.00 C ATOM 175 CG2 VAL A 21 2.892 6.944 -3.639 1.00 0.00 C ATOM 0 H VAL A 21 4.223 7.043 -5.730 1.00 0.00 H new ATOM 0 HA VAL A 21 4.586 4.765 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 21 1.954 5.873 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.046 5.025 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.753 3.722 -4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.645 4.364 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.953 7.320 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.590 6.752 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.318 7.686 -4.314 1.00 0.00 H new ATOM 185 N LYS A 22 3.359 4.219 -7.167 1.00 0.00 N ATOM 186 CA LYS A 22 3.039 3.184 -8.144 1.00 0.00 C ATOM 187 C LYS A 22 4.200 2.207 -8.299 1.00 0.00 C ATOM 188 O LYS A 22 3.995 1.013 -8.522 1.00 0.00 O ATOM 189 CB LYS A 22 2.706 3.817 -9.497 1.00 0.00 C ATOM 190 CG LYS A 22 1.421 4.627 -9.490 1.00 0.00 C ATOM 191 CD LYS A 22 0.875 4.817 -10.894 1.00 0.00 C ATOM 192 CE LYS A 22 1.444 6.065 -11.550 1.00 0.00 C ATOM 193 NZ LYS A 22 0.695 6.435 -12.782 1.00 0.00 N ATOM 0 H LYS A 22 3.355 5.168 -7.542 1.00 0.00 H new ATOM 0 HA LYS A 22 2.170 2.634 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.531 4.462 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.625 3.030 -10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.676 4.124 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.606 5.600 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.116 3.944 -11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.212 4.888 -10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.412 6.894 -10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.492 5.899 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.114 7.291 -13.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.747 5.655 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.300 6.619 -12.541 1.00 0.00 H new ATOM 207 N THR A 23 5.420 2.721 -8.180 1.00 0.00 N ATOM 208 CA THR A 23 6.614 1.893 -8.307 1.00 0.00 C ATOM 209 C THR A 23 6.827 1.041 -7.061 1.00 0.00 C ATOM 210 O THR A 23 6.963 -0.180 -7.148 1.00 0.00 O ATOM 211 CB THR A 23 7.870 2.752 -8.549 1.00 0.00 C ATOM 212 OG1 THR A 23 7.642 3.659 -9.634 1.00 0.00 O ATOM 213 CG2 THR A 23 9.073 1.875 -8.858 1.00 0.00 C ATOM 0 H THR A 23 5.608 3.707 -7.996 1.00 0.00 H new ATOM 0 HA THR A 23 6.457 1.242 -9.167 1.00 0.00 H new ATOM 0 HB THR A 23 8.077 3.318 -7.641 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.444 4.202 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.948 2.503 -9.025 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.261 1.207 -8.018 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.873 1.285 -9.753 1.00 0.00 H new ATOM 221 N LEU A 24 6.855 1.691 -5.903 1.00 0.00 N ATOM 222 CA LEU A 24 7.051 0.991 -4.638 1.00 0.00 C ATOM 223 C LEU A 24 6.054 -0.152 -4.488 1.00 0.00 C ATOM 224 O LEU A 24 6.388 -1.218 -3.968 1.00 0.00 O ATOM 225 CB LEU A 24 6.908 1.966 -3.467 1.00 0.00 C ATOM 226 CG LEU A 24 7.426 1.471 -2.116 1.00 0.00 C ATOM 227 CD1 LEU A 24 7.763 2.647 -1.211 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.404 0.561 -1.453 1.00 0.00 C ATOM 0 H LEU A 24 6.745 2.701 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 24 8.057 0.572 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.434 2.887 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.854 2.221 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 24 8.337 0.896 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.130 2.276 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.532 3.260 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.869 3.249 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.790 0.219 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.476 1.110 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.212 -0.299 -2.094 1.00 0.00 H new ATOM 240 N LEU A 25 4.829 0.073 -4.948 1.00 0.00 N ATOM 241 CA LEU A 25 3.782 -0.940 -4.868 1.00 0.00 C ATOM 242 C LEU A 25 4.005 -2.037 -5.905 1.00 0.00 C ATOM 243 O LEU A 25 3.978 -3.225 -5.583 1.00 0.00 O ATOM 244 CB LEU A 25 2.408 -0.299 -5.073 1.00 0.00 C ATOM 245 CG LEU A 25 1.666 0.118 -3.804 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.493 1.025 -4.144 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.190 -1.107 -3.037 1.00 0.00 C ATOM 0 H LEU A 25 4.535 0.949 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 25 3.821 -1.390 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.531 0.581 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.780 -1.000 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 25 2.356 0.674 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.023 1.311 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.859 1.919 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.198 0.495 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.664 -0.791 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.516 -1.690 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.048 -1.719 -2.760 1.00 0.00 H new ATOM 259 N LYS A 26 4.228 -1.630 -7.149 1.00 0.00 N ATOM 260 CA LYS A 26 4.459 -2.577 -8.234 1.00 0.00 C ATOM 261 C LYS A 26 5.648 -3.480 -7.923 1.00 0.00 C ATOM 262 O LYS A 26 5.636 -4.669 -8.242 1.00 0.00 O ATOM 263 CB LYS A 26 4.702 -1.830 -9.547 1.00 0.00 C ATOM 264 CG LYS A 26 4.905 -2.748 -10.740 1.00 0.00 C ATOM 265 CD LYS A 26 3.586 -3.083 -11.417 1.00 0.00 C ATOM 266 CE LYS A 26 3.798 -3.572 -12.841 1.00 0.00 C ATOM 267 NZ LYS A 26 2.512 -3.932 -13.501 1.00 0.00 N ATOM 0 H LYS A 26 4.254 -0.650 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 26 3.570 -3.199 -8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.854 -1.174 -9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.579 -1.193 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.573 -2.271 -11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.392 -3.667 -10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.065 -3.849 -10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.946 -2.201 -11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.299 -2.797 -13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.457 -4.440 -12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.699 -4.261 -14.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.046 -4.690 -12.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.892 -3.097 -13.532 1.00 0.00 H new ATOM 281 N GLU A 27 6.673 -2.908 -7.297 1.00 0.00 N ATOM 282 CA GLU A 27 7.869 -3.664 -6.944 1.00 0.00 C ATOM 283 C GLU A 27 7.582 -4.632 -5.798 1.00 0.00 C ATOM 284 O GLU A 27 8.026 -5.779 -5.816 1.00 0.00 O ATOM 285 CB GLU A 27 9.002 -2.713 -6.551 1.00 0.00 C ATOM 286 CG GLU A 27 9.770 -2.158 -7.738 1.00 0.00 C ATOM 287 CD GLU A 27 10.770 -3.149 -8.301 1.00 0.00 C ATOM 288 OE1 GLU A 27 11.801 -3.391 -7.639 1.00 0.00 O ATOM 289 OE2 GLU A 27 10.522 -3.683 -9.403 1.00 0.00 O ATOM 0 H GLU A 27 6.699 -1.925 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 27 8.174 -4.241 -7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.587 -1.884 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.695 -3.239 -5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.066 -1.874 -8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.294 -1.251 -7.435 1.00 0.00 H new ATOM 296 N TRP A 28 6.838 -4.158 -4.805 1.00 0.00 N ATOM 297 CA TRP A 28 6.492 -4.981 -3.651 1.00 0.00 C ATOM 298 C TRP A 28 5.554 -6.114 -4.051 1.00 0.00 C ATOM 299 O TRP A 28 5.456 -7.125 -3.357 1.00 0.00 O ATOM 300 CB TRP A 28 5.842 -4.123 -2.563 1.00 0.00 C ATOM 301 CG TRP A 28 5.305 -4.925 -1.417 1.00 0.00 C ATOM 302 CD1 TRP A 28 6.020 -5.717 -0.565 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.939 -5.012 -0.999 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.180 -6.292 0.358 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.898 -5.876 0.114 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.746 -4.445 -1.455 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.711 -6.183 0.774 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.569 -4.752 -0.798 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.558 -5.613 0.306 1.00 0.00 C ATOM 0 H TRP A 28 6.463 -3.210 -4.775 1.00 0.00 H new ATOM 0 HA TRP A 28 7.411 -5.417 -3.259 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.575 -3.410 -2.186 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.031 -3.543 -3.003 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.088 -5.869 -0.610 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.465 -6.926 1.104 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.743 -3.779 -2.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.700 -6.848 1.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.641 -4.320 -1.143 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.622 -5.832 0.798 1.00 0.00 H new ATOM 320 N ILE A 29 4.866 -5.936 -5.174 1.00 0.00 N ATOM 321 CA ILE A 29 3.935 -6.946 -5.666 1.00 0.00 C ATOM 322 C ILE A 29 4.616 -7.881 -6.660 1.00 0.00 C ATOM 323 O ILE A 29 4.227 -9.041 -6.804 1.00 0.00 O ATOM 324 CB ILE A 29 2.712 -6.301 -6.342 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.970 -5.400 -5.351 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.782 -7.373 -6.888 1.00 0.00 C ATOM 327 CD1 ILE A 29 1.138 -4.326 -6.017 1.00 0.00 C ATOM 0 H ILE A 29 4.935 -5.104 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 29 3.602 -7.518 -4.800 1.00 0.00 H new ATOM 0 HB ILE A 29 3.057 -5.688 -7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.322 -6.016 -4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.695 -4.928 -4.688 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.922 -6.901 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.315 -7.978 -7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.441 -8.010 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.641 -3.726 -5.255 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.784 -3.686 -6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.389 -4.791 -6.658 1.00 0.00 H new ATOM 339 N THR A 30 5.636 -7.372 -7.342 1.00 0.00 N ATOM 340 CA THR A 30 6.372 -8.163 -8.322 1.00 0.00 C ATOM 341 C THR A 30 7.518 -8.924 -7.664 1.00 0.00 C ATOM 342 O THR A 30 7.555 -10.155 -7.692 1.00 0.00 O ATOM 343 CB THR A 30 6.939 -7.276 -9.447 1.00 0.00 C ATOM 344 OG1 THR A 30 7.709 -6.207 -8.887 1.00 0.00 O ATOM 345 CG2 THR A 30 5.818 -6.707 -10.304 1.00 0.00 C ATOM 0 H THR A 30 5.972 -6.415 -7.234 1.00 0.00 H new ATOM 0 HA THR A 30 5.666 -8.874 -8.751 1.00 0.00 H new ATOM 0 HB THR A 30 7.580 -7.892 -10.078 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.133 -5.426 -8.750 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.242 -6.084 -11.091 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.252 -7.524 -10.752 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.155 -6.105 -9.683 1.00 0.00 H new ATOM 353 N THR A 31 8.451 -8.186 -7.073 1.00 0.00 N ATOM 354 CA THR A 31 9.599 -8.792 -6.410 1.00 0.00 C ATOM 355 C THR A 31 9.155 -9.837 -5.392 1.00 0.00 C ATOM 356 O THR A 31 9.684 -10.949 -5.359 1.00 0.00 O ATOM 357 CB THR A 31 10.461 -7.733 -5.698 1.00 0.00 C ATOM 358 OG1 THR A 31 9.770 -7.230 -4.548 1.00 0.00 O ATOM 359 CG2 THR A 31 10.791 -6.584 -6.639 1.00 0.00 C ATOM 0 H THR A 31 8.435 -7.167 -7.040 1.00 0.00 H new ATOM 0 HA THR A 31 10.195 -9.272 -7.186 1.00 0.00 H new ATOM 0 HB THR A 31 11.392 -8.205 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.076 -6.599 -4.833 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.400 -5.848 -6.115 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.342 -6.965 -7.499 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.867 -6.115 -6.978 1.00 0.00 H new ATOM 367 N ILE A 32 8.183 -9.473 -4.561 1.00 0.00 N ATOM 368 CA ILE A 32 7.668 -10.380 -3.544 1.00 0.00 C ATOM 369 C ILE A 32 6.483 -11.181 -4.070 1.00 0.00 C ATOM 370 O ILE A 32 5.643 -10.658 -4.802 1.00 0.00 O ATOM 371 CB ILE A 32 7.237 -9.619 -2.276 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.330 -8.636 -1.849 1.00 0.00 C ATOM 373 CG2 ILE A 32 6.927 -10.595 -1.152 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.666 -9.295 -1.588 1.00 0.00 C ATOM 0 H ILE A 32 7.737 -8.556 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 32 8.480 -11.062 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 32 6.332 -9.054 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.452 -7.881 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.008 -8.116 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.624 -10.042 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.119 -11.259 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.816 -11.185 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.392 -8.539 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.559 -10.030 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.010 -9.791 -2.495 1.00 0.00 H new ATOM 386 N SER A 33 6.419 -12.453 -3.690 1.00 0.00 N ATOM 387 CA SER A 33 5.336 -13.328 -4.124 1.00 0.00 C ATOM 388 C SER A 33 4.541 -13.845 -2.929 1.00 0.00 C ATOM 389 O SER A 33 3.336 -14.079 -3.024 1.00 0.00 O ATOM 390 CB SER A 33 5.894 -14.505 -4.929 1.00 0.00 C ATOM 391 OG SER A 33 4.884 -15.106 -5.719 1.00 0.00 O ATOM 0 H SER A 33 7.105 -12.901 -3.082 1.00 0.00 H new ATOM 0 HA SER A 33 4.666 -12.748 -4.759 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.704 -14.159 -5.571 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.318 -15.245 -4.251 1.00 0.00 H new ATOM 0 HG SER A 33 5.266 -15.854 -6.225 1.00 0.00 H new ATOM 397 N ASP A 34 5.226 -14.023 -1.804 1.00 0.00 N ATOM 398 CA ASP A 34 4.586 -14.511 -0.589 1.00 0.00 C ATOM 399 C ASP A 34 5.062 -13.727 0.630 1.00 0.00 C ATOM 400 O ASP A 34 5.835 -14.219 1.452 1.00 0.00 O ATOM 401 CB ASP A 34 4.875 -16.001 -0.397 1.00 0.00 C ATOM 402 CG ASP A 34 6.333 -16.342 -0.635 1.00 0.00 C ATOM 403 OD1 ASP A 34 6.710 -16.549 -1.808 1.00 0.00 O ATOM 404 OD2 ASP A 34 7.097 -16.400 0.351 1.00 0.00 O ATOM 0 H ASP A 34 6.224 -13.836 -1.709 1.00 0.00 H new ATOM 0 HA ASP A 34 3.510 -14.368 -0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.596 -16.295 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.253 -16.580 -1.080 1.00 0.00 H new ATOM 409 N PRO A 35 4.592 -12.476 0.749 1.00 0.00 N ATOM 410 CA PRO A 35 4.957 -11.596 1.864 1.00 0.00 C ATOM 411 C PRO A 35 4.353 -12.055 3.187 1.00 0.00 C ATOM 412 O PRO A 35 3.561 -12.996 3.224 1.00 0.00 O ATOM 413 CB PRO A 35 4.377 -10.242 1.451 1.00 0.00 C ATOM 414 CG PRO A 35 3.252 -10.576 0.533 1.00 0.00 C ATOM 415 CD PRO A 35 3.667 -11.824 -0.194 1.00 0.00 C ATOM 0 HA PRO A 35 6.033 -11.579 2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.028 -9.680 2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.125 -9.626 0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.329 -10.738 1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.064 -9.761 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.811 -12.460 -0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.155 -11.594 -1.141 1.00 0.00 H new ATOM 423 N MET A 36 4.731 -11.384 4.269 1.00 0.00 N ATOM 424 CA MET A 36 4.225 -11.722 5.594 1.00 0.00 C ATOM 425 C MET A 36 3.157 -10.728 6.037 1.00 0.00 C ATOM 426 O MET A 36 2.903 -9.733 5.360 1.00 0.00 O ATOM 427 CB MET A 36 5.369 -11.747 6.610 1.00 0.00 C ATOM 428 CG MET A 36 6.129 -13.062 6.637 1.00 0.00 C ATOM 429 SD MET A 36 7.663 -12.960 7.579 1.00 0.00 S ATOM 430 CE MET A 36 8.822 -13.685 6.421 1.00 0.00 C ATOM 0 H MET A 36 5.386 -10.603 4.255 1.00 0.00 H new ATOM 0 HA MET A 36 3.775 -12.713 5.542 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.065 -10.939 6.381 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.966 -11.549 7.603 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.493 -13.835 7.068 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.354 -13.368 5.615 1.00 0.00 H new ATOM 0 HE1 MET A 36 9.819 -13.693 6.861 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.518 -14.707 6.193 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.835 -13.097 5.503 1.00 0.00 H new ATOM 440 N GLU A 37 2.535 -11.004 7.180 1.00 0.00 N ATOM 441 CA GLU A 37 1.493 -10.133 7.712 1.00 0.00 C ATOM 442 C GLU A 37 2.006 -8.705 7.871 1.00 0.00 C ATOM 443 O GLU A 37 1.280 -7.744 7.625 1.00 0.00 O ATOM 444 CB GLU A 37 0.995 -10.661 9.059 1.00 0.00 C ATOM 445 CG GLU A 37 2.103 -10.866 10.079 1.00 0.00 C ATOM 446 CD GLU A 37 1.605 -11.510 11.358 1.00 0.00 C ATOM 447 OE1 GLU A 37 0.620 -12.275 11.294 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.203 -11.250 12.424 1.00 0.00 O ATOM 0 H GLU A 37 2.735 -11.823 7.754 1.00 0.00 H new ATOM 0 HA GLU A 37 0.664 -10.126 7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.263 -9.963 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.479 -11.608 8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.883 -11.489 9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.558 -9.904 10.314 1.00 0.00 H new ATOM 455 N GLU A 38 3.263 -8.577 8.283 1.00 0.00 N ATOM 456 CA GLU A 38 3.873 -7.267 8.476 1.00 0.00 C ATOM 457 C GLU A 38 3.853 -6.461 7.181 1.00 0.00 C ATOM 458 O GLU A 38 3.591 -5.258 7.189 1.00 0.00 O ATOM 459 CB GLU A 38 5.312 -7.418 8.974 1.00 0.00 C ATOM 460 CG GLU A 38 6.195 -8.233 8.044 1.00 0.00 C ATOM 461 CD GLU A 38 7.386 -8.843 8.757 1.00 0.00 C ATOM 462 OE1 GLU A 38 7.719 -8.375 9.866 1.00 0.00 O ATOM 463 OE2 GLU A 38 7.985 -9.791 8.206 1.00 0.00 O ATOM 0 H GLU A 38 3.878 -9.364 8.489 1.00 0.00 H new ATOM 0 HA GLU A 38 3.291 -6.731 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.749 -6.428 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.300 -7.890 9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.602 -9.027 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.549 -7.596 7.234 1.00 0.00 H new ATOM 470 N ASP A 39 4.133 -7.133 6.069 1.00 0.00 N ATOM 471 CA ASP A 39 4.148 -6.481 4.765 1.00 0.00 C ATOM 472 C ASP A 39 2.837 -5.741 4.513 1.00 0.00 C ATOM 473 O ASP A 39 2.829 -4.652 3.938 1.00 0.00 O ATOM 474 CB ASP A 39 4.388 -7.510 3.659 1.00 0.00 C ATOM 475 CG ASP A 39 5.716 -8.224 3.812 1.00 0.00 C ATOM 476 OD1 ASP A 39 5.939 -8.846 4.872 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.535 -8.162 2.870 1.00 0.00 O ATOM 0 H ASP A 39 4.353 -8.129 6.045 1.00 0.00 H new ATOM 0 HA ASP A 39 4.962 -5.756 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.581 -8.243 3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.356 -7.012 2.690 1.00 0.00 H new ATOM 482 N ILE A 40 1.733 -6.341 4.945 1.00 0.00 N ATOM 483 CA ILE A 40 0.418 -5.738 4.766 1.00 0.00 C ATOM 484 C ILE A 40 0.227 -4.547 5.698 1.00 0.00 C ATOM 485 O ILE A 40 -0.477 -3.592 5.367 1.00 0.00 O ATOM 486 CB ILE A 40 -0.707 -6.759 5.019 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.583 -7.938 4.052 1.00 0.00 C ATOM 488 CG2 ILE A 40 -2.068 -6.092 4.877 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.165 -9.119 4.633 1.00 0.00 C ATOM 0 H ILE A 40 1.723 -7.243 5.421 1.00 0.00 H new ATOM 0 HA ILE A 40 0.365 -5.398 3.732 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.613 -7.137 6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.581 -8.261 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.074 -7.604 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.853 -6.826 5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.154 -5.282 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.173 -5.690 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.215 -9.918 3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.175 -8.812 4.904 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.356 -9.479 5.521 1.00 0.00 H new ATOM 501 N LEU A 41 0.860 -4.608 6.863 1.00 0.00 N ATOM 502 CA LEU A 41 0.763 -3.533 7.845 1.00 0.00 C ATOM 503 C LEU A 41 1.557 -2.311 7.394 1.00 0.00 C ATOM 504 O LEU A 41 1.217 -1.178 7.734 1.00 0.00 O ATOM 505 CB LEU A 41 1.269 -4.010 9.207 1.00 0.00 C ATOM 506 CG LEU A 41 0.219 -4.619 10.137 1.00 0.00 C ATOM 507 CD1 LEU A 41 -0.858 -3.596 10.468 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.396 -5.860 9.507 1.00 0.00 C ATOM 0 H LEU A 41 1.447 -5.391 7.152 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.286 -3.250 7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.052 -4.750 9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.731 -3.165 9.717 1.00 0.00 H new ATOM 0 HG LEU A 41 0.709 -4.913 11.065 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.597 -4.047 11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.404 -2.737 10.962 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.346 -3.271 9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.141 -6.280 10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.872 -5.591 8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.384 -6.599 9.322 1.00 0.00 H new ATOM 520 N GLN A 42 2.616 -2.550 6.627 1.00 0.00 N ATOM 521 CA GLN A 42 3.457 -1.468 6.129 1.00 0.00 C ATOM 522 C GLN A 42 2.726 -0.654 5.068 1.00 0.00 C ATOM 523 O GLN A 42 2.706 0.577 5.120 1.00 0.00 O ATOM 524 CB GLN A 42 4.757 -2.031 5.551 1.00 0.00 C ATOM 525 CG GLN A 42 5.664 -2.664 6.594 1.00 0.00 C ATOM 526 CD GLN A 42 6.134 -1.671 7.639 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.065 -1.935 8.839 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.617 -0.519 7.187 1.00 0.00 N ATOM 0 H GLN A 42 2.912 -3.482 6.337 1.00 0.00 H new ATOM 0 HA GLN A 42 3.693 -0.810 6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.515 -2.775 4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.299 -1.229 5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.132 -3.479 7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.531 -3.102 6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.656 -0.341 6.183 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.949 0.188 7.844 1.00 0.00 H new ATOM 537 N VAL A 43 2.125 -1.347 4.106 1.00 0.00 N ATOM 538 CA VAL A 43 1.392 -0.688 3.033 1.00 0.00 C ATOM 539 C VAL A 43 0.191 0.079 3.578 1.00 0.00 C ATOM 540 O VAL A 43 -0.163 1.143 3.070 1.00 0.00 O ATOM 541 CB VAL A 43 0.904 -1.702 1.981 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.084 -2.303 1.233 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.067 -2.789 2.637 1.00 0.00 C ATOM 0 H VAL A 43 2.132 -2.365 4.048 1.00 0.00 H new ATOM 0 HA VAL A 43 2.083 0.011 2.561 1.00 0.00 H new ATOM 0 HB VAL A 43 0.276 -1.179 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.721 -3.017 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.638 -1.510 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.740 -2.813 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.269 -3.496 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.668 -3.312 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.799 -2.338 3.122 1.00 0.00 H new ATOM 553 N VAL A 44 -0.432 -0.469 4.617 1.00 0.00 N ATOM 554 CA VAL A 44 -1.592 0.163 5.233 1.00 0.00 C ATOM 555 C VAL A 44 -1.178 1.354 6.091 1.00 0.00 C ATOM 556 O VAL A 44 -1.953 2.290 6.287 1.00 0.00 O ATOM 557 CB VAL A 44 -2.379 -0.834 6.104 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.531 -0.135 6.808 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.884 -1.995 5.259 1.00 0.00 C ATOM 0 H VAL A 44 -0.152 -1.349 5.049 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.232 0.508 4.421 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.709 -1.233 6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.075 -0.856 7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.140 0.659 7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.204 0.294 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.438 -2.690 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.539 -1.616 4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.037 -2.511 4.807 1.00 0.00 H new ATOM 569 N ARG A 45 0.049 1.312 6.598 1.00 0.00 N ATOM 570 CA ARG A 45 0.566 2.388 7.436 1.00 0.00 C ATOM 571 C ARG A 45 0.834 3.641 6.608 1.00 0.00 C ATOM 572 O ARG A 45 0.696 4.762 7.097 1.00 0.00 O ATOM 573 CB ARG A 45 1.851 1.942 8.138 1.00 0.00 C ATOM 574 CG ARG A 45 2.518 3.045 8.945 1.00 0.00 C ATOM 575 CD ARG A 45 1.609 3.551 10.054 1.00 0.00 C ATOM 576 NE ARG A 45 2.227 4.632 10.816 1.00 0.00 N ATOM 577 CZ ARG A 45 1.561 5.407 11.665 1.00 0.00 C ATOM 578 NH1 ARG A 45 0.261 5.221 11.859 1.00 0.00 N ATOM 579 NH2 ARG A 45 2.192 6.371 12.322 1.00 0.00 N ATOM 0 H ARG A 45 0.704 0.545 6.444 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.187 2.625 8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.622 1.107 8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.554 1.574 7.391 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.447 2.671 9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.783 3.871 8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.671 3.901 9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.363 2.728 10.725 1.00 0.00 H new ATOM 0 HE ARG A 45 3.225 4.802 10.690 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.229 4.482 11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.248 5.818 12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.191 6.519 12.176 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.679 6.965 12.973 1.00 0.00 H new ATOM 593 N TYR A 46 1.219 3.443 5.353 1.00 0.00 N ATOM 594 CA TYR A 46 1.509 4.556 4.457 1.00 0.00 C ATOM 595 C TYR A 46 0.232 5.305 4.088 1.00 0.00 C ATOM 596 O TYR A 46 0.214 6.535 4.034 1.00 0.00 O ATOM 597 CB TYR A 46 2.204 4.053 3.191 1.00 0.00 C ATOM 598 CG TYR A 46 2.307 5.096 2.102 1.00 0.00 C ATOM 599 CD1 TYR A 46 3.101 6.225 2.268 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.613 4.954 0.907 1.00 0.00 C ATOM 601 CE1 TYR A 46 3.199 7.181 1.276 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.707 5.904 -0.091 1.00 0.00 C ATOM 603 CZ TYR A 46 2.500 7.016 0.098 1.00 0.00 C ATOM 604 OH TYR A 46 2.595 7.966 -0.892 1.00 0.00 O ATOM 0 H TYR A 46 1.338 2.521 4.932 1.00 0.00 H new ATOM 0 HA TYR A 46 2.175 5.244 4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.206 3.709 3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.660 3.191 2.806 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.651 6.357 3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.989 4.086 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.819 8.053 1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.162 5.777 -1.015 1.00 0.00 H new ATOM 0 HH TYR A 46 3.476 8.394 -0.851 1.00 0.00 H new ATOM 614 N CYS A 47 -0.833 4.554 3.833 1.00 0.00 N ATOM 615 CA CYS A 47 -2.116 5.145 3.469 1.00 0.00 C ATOM 616 C CYS A 47 -2.757 5.836 4.667 1.00 0.00 C ATOM 617 O CYS A 47 -3.153 7.000 4.589 1.00 0.00 O ATOM 618 CB CYS A 47 -3.057 4.073 2.920 1.00 0.00 C ATOM 619 SG CYS A 47 -2.377 3.133 1.532 1.00 0.00 S ATOM 0 H CYS A 47 -0.834 3.535 3.871 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.937 5.892 2.696 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.311 3.382 3.724 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.986 4.548 2.603 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.497 2.284 1.973 1.00 0.00 H new ATOM 625 N THR A 48 -2.857 5.112 5.778 1.00 0.00 N ATOM 626 CA THR A 48 -3.453 5.655 6.992 1.00 0.00 C ATOM 627 C THR A 48 -2.744 6.930 7.430 1.00 0.00 C ATOM 628 O THR A 48 -3.325 7.771 8.116 1.00 0.00 O ATOM 629 CB THR A 48 -3.406 4.634 8.144 1.00 0.00 C ATOM 630 OG1 THR A 48 -3.973 3.390 7.720 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.162 5.153 9.358 1.00 0.00 C ATOM 0 H THR A 48 -2.533 4.148 5.862 1.00 0.00 H new ATOM 0 HA THR A 48 -4.493 5.883 6.759 1.00 0.00 H new ATOM 0 HB THR A 48 -2.363 4.482 8.422 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.313 2.892 7.195 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.115 4.415 10.159 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.710 6.085 9.697 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.203 5.331 9.089 1.00 0.00 H new ATOM 639 N ASP A 49 -1.485 7.070 7.028 1.00 0.00 N ATOM 640 CA ASP A 49 -0.696 8.246 7.378 1.00 0.00 C ATOM 641 C ASP A 49 -1.084 9.438 6.510 1.00 0.00 C ATOM 642 O ASP A 49 -0.920 10.591 6.910 1.00 0.00 O ATOM 643 CB ASP A 49 0.796 7.950 7.223 1.00 0.00 C ATOM 644 CG ASP A 49 1.659 9.163 7.506 1.00 0.00 C ATOM 645 OD1 ASP A 49 1.293 9.956 8.400 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.702 9.319 6.837 1.00 0.00 O ATOM 0 H ASP A 49 -0.989 6.384 6.459 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.902 8.495 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.076 7.143 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.990 7.598 6.210 1.00 0.00 H new ATOM 651 N LEU A 50 -1.598 9.153 5.318 1.00 0.00 N ATOM 652 CA LEU A 50 -2.009 10.202 4.390 1.00 0.00 C ATOM 653 C LEU A 50 -3.284 10.886 4.873 1.00 0.00 C ATOM 654 O LEU A 50 -3.396 12.112 4.832 1.00 0.00 O ATOM 655 CB LEU A 50 -2.226 9.619 2.993 1.00 0.00 C ATOM 656 CG LEU A 50 -0.966 9.190 2.242 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.332 8.476 0.950 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.078 10.392 1.957 1.00 0.00 C ATOM 0 H LEU A 50 -1.740 8.204 4.971 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.214 10.946 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.885 8.755 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.750 10.360 2.389 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.410 8.496 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.422 8.178 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.926 7.591 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.911 9.147 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.814 10.067 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.624 11.112 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.214 10.860 2.897 1.00 0.00 H new ATOM 670 N ILE A 51 -4.242 10.087 5.331 1.00 0.00 N ATOM 671 CA ILE A 51 -5.507 10.616 5.824 1.00 0.00 C ATOM 672 C ILE A 51 -5.293 11.508 7.042 1.00 0.00 C ATOM 673 O ILE A 51 -6.101 12.390 7.326 1.00 0.00 O ATOM 674 CB ILE A 51 -6.483 9.485 6.196 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.757 8.596 4.980 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.781 10.062 6.739 1.00 0.00 C ATOM 677 CD1 ILE A 51 -6.777 7.119 5.303 1.00 0.00 C ATOM 0 H ILE A 51 -4.166 9.071 5.371 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.938 11.206 5.016 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.026 8.874 6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.715 8.877 4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.995 8.784 4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.460 9.250 6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.571 10.656 7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.243 10.694 5.981 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.977 6.551 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.811 6.823 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.558 6.917 6.036 1.00 0.00 H new ATOM 689 N GLU A 52 -4.196 11.273 7.756 1.00 0.00 N ATOM 690 CA GLU A 52 -3.875 12.057 8.943 1.00 0.00 C ATOM 691 C GLU A 52 -3.419 13.461 8.559 1.00 0.00 C ATOM 692 O GLU A 52 -3.536 14.399 9.347 1.00 0.00 O ATOM 693 CB GLU A 52 -2.787 11.360 9.762 1.00 0.00 C ATOM 694 CG GLU A 52 -3.250 10.071 10.418 1.00 0.00 C ATOM 695 CD GLU A 52 -4.133 10.316 11.627 1.00 0.00 C ATOM 696 OE1 GLU A 52 -3.649 10.936 12.598 1.00 0.00 O ATOM 697 OE2 GLU A 52 -5.305 9.891 11.602 1.00 0.00 O ATOM 0 H GLU A 52 -3.515 10.547 7.533 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.777 12.140 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.939 11.143 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.431 12.043 10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.796 9.473 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.380 9.489 10.720 1.00 0.00 H new ATOM 704 N GLU A 53 -2.898 13.598 7.344 1.00 0.00 N ATOM 705 CA GLU A 53 -2.422 14.888 6.858 1.00 0.00 C ATOM 706 C GLU A 53 -3.329 15.420 5.751 1.00 0.00 C ATOM 707 O GLU A 53 -2.979 16.367 5.049 1.00 0.00 O ATOM 708 CB GLU A 53 -0.986 14.765 6.341 1.00 0.00 C ATOM 709 CG GLU A 53 -0.774 13.585 5.407 1.00 0.00 C ATOM 710 CD GLU A 53 0.647 13.503 4.886 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.557 14.036 5.554 1.00 0.00 O ATOM 712 OE2 GLU A 53 0.848 12.905 3.807 1.00 0.00 O ATOM 0 H GLU A 53 -2.795 12.832 6.678 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.442 15.591 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.717 15.683 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.310 14.671 7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.018 12.662 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.462 13.664 4.565 1.00 0.00 H new ATOM 719 N LYS A 54 -4.495 14.801 5.603 1.00 0.00 N ATOM 720 CA LYS A 54 -5.454 15.211 4.583 1.00 0.00 C ATOM 721 C LYS A 54 -4.888 14.992 3.184 1.00 0.00 C ATOM 722 O LYS A 54 -5.409 15.522 2.202 1.00 0.00 O ATOM 723 CB LYS A 54 -5.829 16.683 4.768 1.00 0.00 C ATOM 724 CG LYS A 54 -6.115 17.060 6.212 1.00 0.00 C ATOM 725 CD LYS A 54 -7.438 17.795 6.346 1.00 0.00 C ATOM 726 CE LYS A 54 -8.102 17.508 7.683 1.00 0.00 C ATOM 727 NZ LYS A 54 -8.677 16.135 7.733 1.00 0.00 N ATOM 0 H LYS A 54 -4.799 14.014 6.176 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.348 14.598 4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.018 17.306 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.708 16.905 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.134 16.160 6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.309 17.688 6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.272 18.867 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.104 17.497 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.372 17.625 8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.891 18.239 7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.330 16.061 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.193 15.942 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.910 15.441 7.844 1.00 0.00 H new ATOM 741 N ASP A 55 -3.819 14.208 3.100 1.00 0.00 N ATOM 742 CA ASP A 55 -3.183 13.918 1.819 1.00 0.00 C ATOM 743 C ASP A 55 -3.686 12.595 1.251 1.00 0.00 C ATOM 744 O ASP A 55 -2.956 11.888 0.554 1.00 0.00 O ATOM 745 CB ASP A 55 -1.663 13.873 1.979 1.00 0.00 C ATOM 746 CG ASP A 55 -1.098 15.173 2.515 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.881 16.128 2.700 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.127 15.238 2.749 1.00 0.00 O ATOM 0 H ASP A 55 -3.375 13.762 3.902 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.444 14.715 1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.396 13.059 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.206 13.652 1.015 1.00 0.00 H new ATOM 753 N LEU A 56 -4.937 12.264 1.554 1.00 0.00 N ATOM 754 CA LEU A 56 -5.538 11.025 1.073 1.00 0.00 C ATOM 755 C LEU A 56 -5.951 11.151 -0.390 1.00 0.00 C ATOM 756 O LEU A 56 -6.402 10.184 -1.003 1.00 0.00 O ATOM 757 CB LEU A 56 -6.754 10.660 1.927 1.00 0.00 C ATOM 758 CG LEU A 56 -7.643 11.826 2.363 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.042 12.669 1.163 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.876 11.313 3.092 1.00 0.00 C ATOM 0 H LEU A 56 -5.554 12.836 2.130 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.793 10.234 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.366 9.952 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.404 10.143 2.820 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.076 12.454 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.674 13.494 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.147 13.066 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.591 12.052 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.497 12.156 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.446 10.662 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.570 10.752 3.975 1.00 0.00 H new ATOM 772 N GLU A 57 -5.789 12.348 -0.944 1.00 0.00 N ATOM 773 CA GLU A 57 -6.144 12.599 -2.336 1.00 0.00 C ATOM 774 C GLU A 57 -5.487 11.576 -3.258 1.00 0.00 C ATOM 775 O GLU A 57 -6.154 10.943 -4.079 1.00 0.00 O ATOM 776 CB GLU A 57 -5.725 14.012 -2.746 1.00 0.00 C ATOM 777 CG GLU A 57 -6.584 15.104 -2.130 1.00 0.00 C ATOM 778 CD GLU A 57 -6.200 16.490 -2.611 1.00 0.00 C ATOM 779 OE1 GLU A 57 -6.117 16.688 -3.842 1.00 0.00 O ATOM 780 OE2 GLU A 57 -5.981 17.376 -1.759 1.00 0.00 O ATOM 0 H GLU A 57 -5.415 13.159 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.226 12.506 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.686 14.172 -2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.770 14.095 -3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.630 14.917 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.494 15.063 -1.044 1.00 0.00 H new ATOM 787 N LYS A 58 -4.176 11.417 -3.118 1.00 0.00 N ATOM 788 CA LYS A 58 -3.426 10.471 -3.936 1.00 0.00 C ATOM 789 C LYS A 58 -3.754 9.034 -3.542 1.00 0.00 C ATOM 790 O LYS A 58 -3.792 8.141 -4.390 1.00 0.00 O ATOM 791 CB LYS A 58 -1.923 10.720 -3.793 1.00 0.00 C ATOM 792 CG LYS A 58 -1.375 11.720 -4.795 1.00 0.00 C ATOM 793 CD LYS A 58 -1.681 13.150 -4.381 1.00 0.00 C ATOM 794 CE LYS A 58 -0.743 13.623 -3.281 1.00 0.00 C ATOM 795 NZ LYS A 58 -0.843 15.093 -3.061 1.00 0.00 N ATOM 0 H LYS A 58 -3.609 11.932 -2.444 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.714 10.620 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.717 11.079 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.394 9.774 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.297 11.590 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.805 11.525 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.591 13.808 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.713 13.217 -4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.978 13.100 -2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.283 13.364 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.189 15.376 -2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.594 15.593 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.816 15.338 -2.787 1.00 0.00 H new ATOM 809 N LEU A 59 -3.990 8.818 -2.253 1.00 0.00 N ATOM 810 CA LEU A 59 -4.316 7.489 -1.747 1.00 0.00 C ATOM 811 C LEU A 59 -5.498 6.893 -2.504 1.00 0.00 C ATOM 812 O LEU A 59 -5.456 5.741 -2.937 1.00 0.00 O ATOM 813 CB LEU A 59 -4.633 7.554 -0.253 1.00 0.00 C ATOM 814 CG LEU A 59 -5.410 6.368 0.322 1.00 0.00 C ATOM 815 CD1 LEU A 59 -4.715 5.059 -0.020 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.567 6.513 1.828 1.00 0.00 C ATOM 0 H LEU A 59 -3.962 9.546 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.449 6.846 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.694 7.647 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.204 8.463 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.403 6.357 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.282 4.226 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.655 4.951 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.709 5.060 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.122 5.661 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.583 6.550 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.109 7.432 2.050 1.00 0.00 H new ATOM 828 N ASP A 60 -6.553 7.686 -2.662 1.00 0.00 N ATOM 829 CA ASP A 60 -7.746 7.239 -3.370 1.00 0.00 C ATOM 830 C ASP A 60 -7.383 6.646 -4.728 1.00 0.00 C ATOM 831 O ASP A 60 -8.018 5.699 -5.195 1.00 0.00 O ATOM 832 CB ASP A 60 -8.724 8.401 -3.551 1.00 0.00 C ATOM 833 CG ASP A 60 -9.877 8.347 -2.568 1.00 0.00 C ATOM 834 OD1 ASP A 60 -9.654 7.924 -1.414 1.00 0.00 O ATOM 835 OD2 ASP A 60 -11.002 8.727 -2.953 1.00 0.00 O ATOM 0 H ASP A 60 -6.605 8.642 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.223 6.463 -2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.190 9.343 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.116 8.387 -4.568 1.00 0.00 H new ATOM 840 N LEU A 61 -6.359 7.211 -5.359 1.00 0.00 N ATOM 841 CA LEU A 61 -5.912 6.739 -6.665 1.00 0.00 C ATOM 842 C LEU A 61 -5.101 5.454 -6.532 1.00 0.00 C ATOM 843 O LEU A 61 -5.140 4.590 -7.408 1.00 0.00 O ATOM 844 CB LEU A 61 -5.072 7.815 -7.356 1.00 0.00 C ATOM 845 CG LEU A 61 -5.617 9.242 -7.285 1.00 0.00 C ATOM 846 CD1 LEU A 61 -4.648 10.217 -7.934 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.984 9.324 -7.948 1.00 0.00 C ATOM 0 H LEU A 61 -5.823 7.996 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.794 6.529 -7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.075 7.806 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.960 7.542 -8.405 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.727 9.517 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.053 11.227 -7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.691 10.178 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.505 9.946 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.357 10.347 -7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.899 9.029 -8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.677 8.655 -7.437 1.00 0.00 H new ATOM 859 N VAL A 62 -4.370 5.333 -5.428 1.00 0.00 N ATOM 860 CA VAL A 62 -3.554 4.151 -5.178 1.00 0.00 C ATOM 861 C VAL A 62 -4.413 2.894 -5.109 1.00 0.00 C ATOM 862 O VAL A 62 -3.968 1.804 -5.472 1.00 0.00 O ATOM 863 CB VAL A 62 -2.756 4.287 -3.868 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.941 3.030 -3.606 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.858 5.514 -3.916 1.00 0.00 C ATOM 0 H VAL A 62 -4.326 6.039 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.857 4.065 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.460 4.412 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.384 3.145 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.610 2.173 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.244 2.870 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.302 5.594 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.160 5.421 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.469 6.407 -4.053 1.00 0.00 H new ATOM 875 N ILE A 63 -5.646 3.052 -4.641 1.00 0.00 N ATOM 876 CA ILE A 63 -6.569 1.930 -4.526 1.00 0.00 C ATOM 877 C ILE A 63 -6.835 1.294 -5.887 1.00 0.00 C ATOM 878 O ILE A 63 -7.015 0.081 -5.993 1.00 0.00 O ATOM 879 CB ILE A 63 -7.910 2.364 -3.905 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.671 3.091 -2.580 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.813 1.158 -3.698 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.995 2.233 -1.534 1.00 0.00 C ATOM 0 H ILE A 63 -6.029 3.946 -4.335 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.095 1.199 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.406 3.051 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.059 3.974 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.627 3.441 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.757 1.481 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.005 0.678 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.325 0.449 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.857 2.813 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.616 1.363 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.024 1.904 -1.905 1.00 0.00 H new ATOM 894 N LYS A 64 -6.856 2.122 -6.926 1.00 0.00 N ATOM 895 CA LYS A 64 -7.096 1.643 -8.282 1.00 0.00 C ATOM 896 C LYS A 64 -5.880 0.891 -8.817 1.00 0.00 C ATOM 897 O LYS A 64 -6.010 0.001 -9.658 1.00 0.00 O ATOM 898 CB LYS A 64 -7.431 2.815 -9.207 1.00 0.00 C ATOM 899 CG LYS A 64 -8.502 3.738 -8.654 1.00 0.00 C ATOM 900 CD LYS A 64 -8.989 4.721 -9.706 1.00 0.00 C ATOM 901 CE LYS A 64 -7.868 5.636 -10.176 1.00 0.00 C ATOM 902 NZ LYS A 64 -7.165 5.086 -11.368 1.00 0.00 N ATOM 0 H LYS A 64 -6.710 3.129 -6.855 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.942 0.957 -8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.525 3.392 -9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.761 2.425 -10.170 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.342 3.146 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.106 4.286 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.394 4.174 -10.557 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.802 5.321 -9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.277 6.617 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.152 5.779 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.142 5.053 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.513 4.126 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.349 5.695 -12.191 1.00 0.00 H new ATOM 916 N TYR A 65 -4.702 1.254 -8.322 1.00 0.00 N ATOM 917 CA TYR A 65 -3.464 0.614 -8.750 1.00 0.00 C ATOM 918 C TYR A 65 -3.243 -0.699 -8.006 1.00 0.00 C ATOM 919 O TYR A 65 -2.724 -1.663 -8.566 1.00 0.00 O ATOM 920 CB TYR A 65 -2.275 1.549 -8.522 1.00 0.00 C ATOM 921 CG TYR A 65 -1.194 1.422 -9.570 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.461 1.683 -10.907 1.00 0.00 C ATOM 923 CD2 TYR A 65 0.096 1.041 -9.221 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.475 1.566 -11.869 1.00 0.00 C ATOM 925 CE2 TYR A 65 1.088 0.923 -10.176 1.00 0.00 C ATOM 926 CZ TYR A 65 0.798 1.187 -11.498 1.00 0.00 C ATOM 927 OH TYR A 65 1.783 1.071 -12.451 1.00 0.00 O ATOM 0 H TYR A 65 -4.578 1.988 -7.624 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.548 0.397 -9.815 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.632 2.579 -8.504 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.845 1.343 -7.542 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.456 1.983 -11.201 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.327 0.834 -8.187 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.700 1.770 -12.905 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.086 0.625 -9.888 1.00 0.00 H new ATOM 0 HH TYR A 65 2.621 0.796 -12.024 1.00 0.00 H new ATOM 937 N MET A 66 -3.641 -0.727 -6.738 1.00 0.00 N ATOM 938 CA MET A 66 -3.489 -1.921 -5.915 1.00 0.00 C ATOM 939 C MET A 66 -4.515 -2.981 -6.300 1.00 0.00 C ATOM 940 O MET A 66 -4.261 -4.181 -6.179 1.00 0.00 O ATOM 941 CB MET A 66 -3.635 -1.568 -4.433 1.00 0.00 C ATOM 942 CG MET A 66 -2.482 -2.062 -3.574 1.00 0.00 C ATOM 943 SD MET A 66 -2.777 -1.821 -1.812 1.00 0.00 S ATOM 944 CE MET A 66 -3.316 -0.113 -1.789 1.00 0.00 C ATOM 0 H MET A 66 -4.071 0.064 -6.258 1.00 0.00 H new ATOM 0 HA MET A 66 -2.492 -2.326 -6.088 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.715 -0.486 -4.332 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.566 -1.993 -4.057 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.316 -3.121 -3.769 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.570 -1.539 -3.861 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.383 0.233 -0.758 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.599 0.502 -2.332 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.294 -0.034 -2.263 1.00 0.00 H new ATOM 954 N LYS A 67 -5.676 -2.534 -6.766 1.00 0.00 N ATOM 955 CA LYS A 67 -6.741 -3.444 -7.171 1.00 0.00 C ATOM 956 C LYS A 67 -6.479 -3.999 -8.567 1.00 0.00 C ATOM 957 O LYS A 67 -6.801 -5.153 -8.857 1.00 0.00 O ATOM 958 CB LYS A 67 -8.092 -2.726 -7.141 1.00 0.00 C ATOM 959 CG LYS A 67 -8.267 -1.710 -8.256 1.00 0.00 C ATOM 960 CD LYS A 67 -9.613 -1.012 -8.169 1.00 0.00 C ATOM 961 CE LYS A 67 -10.755 -1.956 -8.512 1.00 0.00 C ATOM 962 NZ LYS A 67 -11.943 -1.224 -9.031 1.00 0.00 N ATOM 0 H LYS A 67 -5.904 -1.545 -6.873 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.763 -4.275 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.889 -3.467 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.205 -2.222 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.468 -0.970 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.177 -2.209 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.755 -0.618 -7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.627 -0.161 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.419 -2.677 -9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.037 -2.523 -7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.699 -1.903 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.280 -0.554 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.681 -0.704 -9.892 1.00 0.00 H new ATOM 976 N ARG A 68 -5.896 -3.173 -9.429 1.00 0.00 N ATOM 977 CA ARG A 68 -5.592 -3.583 -10.794 1.00 0.00 C ATOM 978 C ARG A 68 -4.313 -4.416 -10.842 1.00 0.00 C ATOM 979 O ARG A 68 -4.109 -5.209 -11.761 1.00 0.00 O ATOM 980 CB ARG A 68 -5.447 -2.357 -11.698 1.00 0.00 C ATOM 981 CG ARG A 68 -4.138 -1.608 -11.503 1.00 0.00 C ATOM 982 CD ARG A 68 -4.142 -0.280 -12.243 1.00 0.00 C ATOM 983 NE ARG A 68 -4.468 -0.442 -13.658 1.00 0.00 N ATOM 984 CZ ARG A 68 -4.449 0.556 -14.534 1.00 0.00 C ATOM 985 NH1 ARG A 68 -4.122 1.780 -14.145 1.00 0.00 N ATOM 986 NH2 ARG A 68 -4.757 0.330 -15.805 1.00 0.00 N ATOM 0 H ARG A 68 -5.625 -2.215 -9.206 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.418 -4.196 -11.153 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.524 -2.672 -12.739 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.277 -1.676 -11.509 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.972 -1.433 -10.440 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.310 -2.221 -11.858 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.865 0.391 -11.779 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.163 0.191 -12.148 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.724 -1.372 -13.991 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.884 1.958 -13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.109 2.544 -14.821 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.008 -0.610 -16.109 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.742 1.097 -16.477 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.456 -4.229 -9.844 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.197 -4.962 -9.770 1.00 0.00 C ATOM 1002 C LEU A 69 -2.410 -6.351 -9.177 1.00 0.00 C ATOM 1003 O LEU A 69 -2.059 -7.359 -9.790 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.180 -4.186 -8.931 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.409 -3.085 -9.659 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.527 -2.366 -8.700 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.369 -3.665 -10.832 1.00 0.00 C ATOM 0 H LEU A 69 -3.610 -3.576 -9.075 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.811 -5.075 -10.783 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.703 -3.738 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.461 -4.895 -8.521 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.126 -2.361 -10.046 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.068 -1.586 -9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.053 -1.917 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.238 -3.079 -8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.912 -2.867 -11.339 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.076 -4.410 -10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.323 -4.134 -11.531 1.00 0.00 H new ATOM 1019 N MET A 70 -2.988 -6.395 -7.981 1.00 0.00 N ATOM 1020 CA MET A 70 -3.251 -7.662 -7.307 1.00 0.00 C ATOM 1021 C MET A 70 -4.158 -8.550 -8.151 1.00 0.00 C ATOM 1022 O MET A 70 -4.134 -9.773 -8.025 1.00 0.00 O ATOM 1023 CB MET A 70 -3.890 -7.412 -5.939 1.00 0.00 C ATOM 1024 CG MET A 70 -2.879 -7.252 -4.816 1.00 0.00 C ATOM 1025 SD MET A 70 -3.234 -5.833 -3.760 1.00 0.00 S ATOM 1026 CE MET A 70 -1.654 -5.617 -2.943 1.00 0.00 C ATOM 0 H MET A 70 -3.283 -5.570 -7.459 1.00 0.00 H new ATOM 0 HA MET A 70 -2.300 -8.175 -7.168 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.505 -6.514 -5.993 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.556 -8.241 -5.701 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.869 -8.158 -4.210 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.882 -7.142 -5.243 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.565 -4.590 -2.589 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.586 -6.300 -2.096 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.849 -5.830 -3.646 1.00 0.00 H new ATOM 1036 N GLN A 71 -4.956 -7.925 -9.011 1.00 0.00 N ATOM 1037 CA GLN A 71 -5.872 -8.660 -9.876 1.00 0.00 C ATOM 1038 C GLN A 71 -5.107 -9.576 -10.825 1.00 0.00 C ATOM 1039 O GLN A 71 -5.479 -10.733 -11.020 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.743 -7.689 -10.674 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.129 -7.488 -10.085 1.00 0.00 C ATOM 1042 CD GLN A 71 -8.854 -6.301 -10.687 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.728 -6.022 -11.881 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -9.619 -5.594 -9.864 1.00 0.00 N ATOM 0 H GLN A 71 -4.987 -6.912 -9.127 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.513 -9.276 -9.245 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.238 -6.724 -10.731 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.842 -8.058 -11.695 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.721 -8.389 -10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.045 -7.349 -9.007 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.694 -5.861 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.131 -4.784 -10.213 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.039 -9.049 -11.414 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.222 -9.820 -12.345 1.00 0.00 C ATOM 1055 C GLN A 72 -2.664 -11.070 -11.673 1.00 0.00 C ATOM 1056 O GLN A 72 -2.299 -12.036 -12.342 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.077 -8.961 -12.883 1.00 0.00 C ATOM 1058 CG GLN A 72 -0.881 -8.885 -11.948 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.250 -7.507 -11.918 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.538 -6.661 -12.766 1.00 0.00 O ATOM 1061 NE2 GLN A 72 0.617 -7.273 -10.939 1.00 0.00 N ATOM 0 H GLN A 72 -3.719 -8.092 -11.264 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.856 -10.129 -13.176 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.752 -9.363 -13.843 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.447 -7.953 -13.069 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.194 -9.159 -10.941 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.134 -9.616 -12.259 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.826 -8.003 -10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.073 -6.364 -10.869 1.00 0.00 H new ATOM 1070 N SER A 73 -2.599 -11.044 -10.346 1.00 0.00 N ATOM 1071 CA SER A 73 -2.081 -12.174 -9.583 1.00 0.00 C ATOM 1072 C SER A 73 -3.193 -13.167 -9.261 1.00 0.00 C ATOM 1073 O SER A 73 -4.337 -12.779 -9.019 1.00 0.00 O ATOM 1074 CB SER A 73 -1.427 -11.685 -8.290 1.00 0.00 C ATOM 1075 OG SER A 73 -0.399 -10.748 -8.560 1.00 0.00 O ATOM 0 H SER A 73 -2.899 -10.253 -9.776 1.00 0.00 H new ATOM 0 HA SER A 73 -1.332 -12.680 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.180 -11.228 -7.648 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.015 -12.534 -7.744 1.00 0.00 H new ATOM 0 HG SER A 73 0.002 -10.450 -7.717 1.00 0.00 H new ATOM 1081 N VAL A 74 -2.849 -14.451 -9.258 1.00 0.00 N ATOM 1082 CA VAL A 74 -3.816 -15.501 -8.964 1.00 0.00 C ATOM 1083 C VAL A 74 -3.709 -15.957 -7.513 1.00 0.00 C ATOM 1084 O VAL A 74 -4.650 -16.525 -6.959 1.00 0.00 O ATOM 1085 CB VAL A 74 -3.623 -16.718 -9.887 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -3.644 -16.288 -11.347 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.325 -17.438 -9.554 1.00 0.00 C ATOM 0 H VAL A 74 -1.907 -14.789 -9.456 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.805 -15.076 -9.137 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.448 -17.411 -9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.506 -17.161 -11.985 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.602 -15.820 -11.575 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.839 -15.575 -11.528 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.204 -18.296 -10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.486 -16.756 -9.688 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.353 -17.779 -8.519 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.556 -15.704 -6.902 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.326 -16.089 -5.515 1.00 0.00 C ATOM 1099 C GLU A 75 -3.448 -15.581 -4.616 1.00 0.00 C ATOM 1100 O GLU A 75 -3.647 -14.375 -4.474 1.00 0.00 O ATOM 1101 CB GLU A 75 -0.981 -15.544 -5.028 1.00 0.00 C ATOM 1102 CG GLU A 75 0.178 -15.861 -5.956 1.00 0.00 C ATOM 1103 CD GLU A 75 0.252 -17.333 -6.315 1.00 0.00 C ATOM 1104 OE1 GLU A 75 0.644 -18.136 -5.443 1.00 0.00 O ATOM 1105 OE2 GLU A 75 -0.083 -17.681 -7.467 1.00 0.00 O ATOM 0 H GLU A 75 -1.767 -15.234 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.309 -17.178 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.057 -14.463 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.768 -15.955 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.079 -15.273 -6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.112 -15.559 -5.481 1.00 0.00 H new ATOM 1112 N SER A 76 -4.181 -16.512 -4.012 1.00 0.00 N ATOM 1113 CA SER A 76 -5.289 -16.160 -3.130 1.00 0.00 C ATOM 1114 C SER A 76 -4.813 -15.257 -1.995 1.00 0.00 C ATOM 1115 O SER A 76 -5.596 -14.504 -1.417 1.00 0.00 O ATOM 1116 CB SER A 76 -5.933 -17.423 -2.556 1.00 0.00 C ATOM 1117 OG SER A 76 -5.177 -17.932 -1.471 1.00 0.00 O ATOM 0 H SER A 76 -4.028 -17.515 -4.117 1.00 0.00 H new ATOM 0 HA SER A 76 -6.030 -15.618 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.947 -17.199 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.013 -18.181 -3.335 1.00 0.00 H new ATOM 0 HG SER A 76 -5.610 -18.738 -1.120 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.524 -15.339 -1.683 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.942 -14.530 -0.618 1.00 0.00 C ATOM 1125 C VAL A 77 -3.015 -13.045 -0.955 1.00 0.00 C ATOM 1126 O VAL A 77 -3.263 -12.212 -0.083 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.473 -14.913 -0.361 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.648 -14.757 -1.630 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.894 -14.076 0.768 1.00 0.00 C ATOM 0 H VAL A 77 -2.862 -15.957 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.524 -14.726 0.282 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.437 -15.960 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.387 -15.032 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.051 -15.406 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.689 -13.721 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.145 -14.360 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.943 -13.021 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.468 -14.246 1.679 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.801 -12.720 -2.225 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.844 -11.334 -2.676 1.00 0.00 C ATOM 1141 C TRP A 78 -4.282 -10.838 -2.776 1.00 0.00 C ATOM 1142 O TRP A 78 -4.598 -9.731 -2.342 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.149 -11.197 -4.032 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.664 -11.023 -3.924 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.296 -11.893 -4.356 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.030 -9.914 -3.344 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.544 -11.391 -4.080 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.409 -10.177 -3.460 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.380 -8.722 -2.739 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.377 -9.293 -2.993 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.583 -7.845 -2.276 1.00 0.00 C ATOM 1152 CH2 TRP A 78 1.948 -8.135 -2.405 1.00 0.00 C ATOM 0 H TRP A 78 -2.596 -13.397 -2.960 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.319 -10.722 -1.942 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.361 -12.082 -4.632 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.570 -10.343 -4.563 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.102 -12.837 -4.843 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.429 -11.848 -4.301 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.430 -8.491 -2.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.430 -9.514 -3.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.278 -6.921 -1.807 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.676 -7.430 -2.032 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.151 -11.665 -3.349 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.556 -11.309 -3.505 1.00 0.00 C ATOM 1165 C ASN A 79 -7.197 -11.019 -2.151 1.00 0.00 C ATOM 1166 O ASN A 79 -7.846 -9.989 -1.968 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.314 -12.436 -4.210 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.854 -12.633 -5.642 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.309 -11.941 -6.553 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -5.948 -13.583 -5.847 1.00 0.00 N ATOM 0 H ASN A 79 -4.906 -12.586 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.611 -10.407 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.177 -13.365 -3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.381 -12.214 -4.201 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.602 -13.763 -6.789 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.599 -14.132 -5.062 1.00 0.00 H new ATOM 1177 N MET A 80 -7.011 -11.934 -1.207 1.00 0.00 N ATOM 1178 CA MET A 80 -7.569 -11.775 0.131 1.00 0.00 C ATOM 1179 C MET A 80 -6.879 -10.639 0.877 1.00 0.00 C ATOM 1180 O MET A 80 -7.484 -9.984 1.726 1.00 0.00 O ATOM 1181 CB MET A 80 -7.432 -13.078 0.922 1.00 0.00 C ATOM 1182 CG MET A 80 -8.095 -14.270 0.251 1.00 0.00 C ATOM 1183 SD MET A 80 -9.838 -14.430 0.682 1.00 0.00 S ATOM 1184 CE MET A 80 -9.737 -15.525 2.096 1.00 0.00 C ATOM 0 H MET A 80 -6.479 -12.793 -1.343 1.00 0.00 H new ATOM 0 HA MET A 80 -8.626 -11.529 0.029 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.374 -13.296 1.067 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.868 -12.940 1.912 1.00 0.00 H new ATOM 0 HG2 MET A 80 -8.000 -14.172 -0.830 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.569 -15.181 0.536 1.00 0.00 H new ATOM 0 HE1 MET A 80 -10.739 -15.720 2.478 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.274 -16.465 1.796 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.136 -15.057 2.876 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.610 -10.410 0.555 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.840 -9.350 1.194 1.00 0.00 C ATOM 1196 C ALA A 81 -5.387 -7.975 0.827 1.00 0.00 C ATOM 1197 O ALA A 81 -5.444 -7.075 1.664 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.373 -9.458 0.806 1.00 0.00 C ATOM 0 H ALA A 81 -5.094 -10.944 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.929 -9.470 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.809 -8.661 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.982 -10.424 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.275 -9.367 -0.276 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.786 -7.819 -0.431 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.326 -6.552 -0.910 1.00 0.00 C ATOM 1206 C PHE A 82 -7.568 -6.155 -0.115 1.00 0.00 C ATOM 1207 O PHE A 82 -7.666 -5.033 0.382 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.670 -6.650 -2.397 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.415 -5.454 -2.921 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.921 -4.175 -2.728 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.610 -5.612 -3.604 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.603 -3.073 -3.208 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.298 -4.514 -4.087 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.794 -3.243 -3.888 1.00 0.00 C ATOM 0 H PHE A 82 -5.746 -8.554 -1.137 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.565 -5.785 -0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.749 -6.773 -2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.271 -7.544 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.991 -4.037 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.009 -6.603 -3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.206 -2.081 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.228 -4.650 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.330 -2.384 -4.263 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.511 -7.084 0.000 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.746 -6.832 0.735 1.00 0.00 C ATOM 1226 C ASP A 83 -9.446 -6.317 2.140 1.00 0.00 C ATOM 1227 O ASP A 83 -10.147 -5.445 2.654 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.586 -8.108 0.814 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.942 -7.869 1.448 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.787 -7.206 0.811 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.157 -8.344 2.583 1.00 0.00 O ATOM 0 H ASP A 83 -8.444 -8.017 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.310 -6.068 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.723 -8.512 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.046 -8.860 1.390 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.403 -6.864 2.754 1.00 0.00 N ATOM 1237 CA PHE A 84 -8.013 -6.461 4.101 1.00 0.00 C ATOM 1238 C PHE A 84 -7.327 -5.099 4.084 1.00 0.00 C ATOM 1239 O PHE A 84 -7.705 -4.192 4.825 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.083 -7.507 4.719 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.619 -7.153 6.103 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -5.511 -6.342 6.291 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -7.290 -7.633 7.217 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -5.082 -6.015 7.563 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -6.866 -7.309 8.492 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.761 -6.499 8.665 1.00 0.00 C ATOM 0 H PHE A 84 -7.813 -7.587 2.342 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.916 -6.385 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.599 -8.466 4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.213 -7.635 4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.977 -5.961 5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.154 -8.268 7.087 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.217 -5.382 7.696 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.398 -7.689 9.352 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.428 -6.244 9.660 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.314 -4.964 3.233 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.575 -3.713 3.119 1.00 0.00 C ATOM 1258 C ILE A 85 -6.518 -2.534 2.910 1.00 0.00 C ATOM 1259 O ILE A 85 -6.502 -1.569 3.675 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.564 -3.761 1.957 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.555 -4.890 2.176 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.851 -2.424 1.821 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -3.071 -5.524 0.891 1.00 0.00 C ATOM 0 H ILE A 85 -5.987 -5.705 2.613 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.034 -3.579 4.056 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.105 -3.958 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.698 -4.499 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.011 -5.658 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.140 -2.473 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.582 -1.640 1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.319 -2.200 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.359 -6.316 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.919 -5.945 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.586 -4.769 0.273 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.341 -2.619 1.871 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.294 -1.558 1.561 1.00 0.00 C ATOM 1277 C LEU A 86 -9.284 -1.366 2.706 1.00 0.00 C ATOM 1278 O LEU A 86 -9.643 -0.238 3.044 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.047 -1.885 0.270 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.010 -3.070 0.336 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.396 -2.609 0.759 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.070 -3.784 -1.007 1.00 0.00 C ATOM 0 H LEU A 86 -7.368 -3.411 1.229 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.738 -0.630 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.610 -1.002 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.315 -2.080 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.640 -3.773 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.068 -3.466 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.340 -2.144 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.775 -1.886 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.760 -4.625 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.415 -3.090 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.077 -4.149 -1.270 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.719 -2.472 3.298 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.665 -2.424 4.407 1.00 0.00 C ATOM 1296 C ASP A 87 -10.132 -1.549 5.537 1.00 0.00 C ATOM 1297 O ASP A 87 -10.902 -0.937 6.277 1.00 0.00 O ATOM 1298 CB ASP A 87 -10.946 -3.835 4.926 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.570 -3.830 6.307 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -10.812 -3.841 7.300 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -12.815 -3.816 6.397 1.00 0.00 O ATOM 0 H ASP A 87 -9.432 -3.413 3.029 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.595 -1.988 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.611 -4.349 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.015 -4.401 4.953 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.810 -1.497 5.666 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.174 -0.698 6.708 1.00 0.00 C ATOM 1308 C ASN A 88 -8.245 0.788 6.373 1.00 0.00 C ATOM 1309 O ASN A 88 -8.791 1.583 7.140 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.716 -1.124 6.887 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.541 -2.135 8.003 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.764 -1.921 8.934 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.265 -3.244 7.915 1.00 0.00 N ATOM 0 H ASN A 88 -8.158 -1.998 5.062 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.712 -0.867 7.641 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.348 -1.550 5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.107 -0.245 7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.190 -3.961 8.637 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.896 -3.380 7.126 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.690 1.158 5.223 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.692 2.548 4.785 1.00 0.00 C ATOM 1322 C VAL A 89 -9.114 3.081 4.652 1.00 0.00 C ATOM 1323 O VAL A 89 -9.360 4.271 4.842 1.00 0.00 O ATOM 1324 CB VAL A 89 -6.965 2.713 3.437 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.562 2.126 3.512 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.765 2.064 2.318 1.00 0.00 C ATOM 0 H VAL A 89 -7.233 0.514 4.578 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.163 3.120 5.547 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.876 3.777 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.063 2.251 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.993 2.641 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.624 1.065 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.237 2.190 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.887 1.001 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.746 2.535 2.251 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.044 2.191 4.323 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.443 2.573 4.164 1.00 0.00 C ATOM 1338 C GLN A 90 -12.117 2.750 5.521 1.00 0.00 C ATOM 1339 O GLN A 90 -13.042 3.549 5.666 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.191 1.519 3.345 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.843 1.540 1.865 1.00 0.00 C ATOM 1342 CD GLN A 90 -11.889 2.936 1.274 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -10.974 3.352 0.564 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.959 3.667 1.565 1.00 0.00 N ATOM 0 H GLN A 90 -9.855 1.202 4.161 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.475 3.526 3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.968 0.531 3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.264 1.675 3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.846 1.123 1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.537 0.897 1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.694 3.282 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.046 4.614 1.195 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.646 2.001 6.513 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.202 2.076 7.858 1.00 0.00 C ATOM 1355 C VAL A 91 -11.659 3.287 8.610 1.00 0.00 C ATOM 1356 O VAL A 91 -12.416 4.043 9.220 1.00 0.00 O ATOM 1357 CB VAL A 91 -11.892 0.803 8.666 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -11.979 1.083 10.159 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -12.837 -0.322 8.271 1.00 0.00 C ATOM 0 H VAL A 91 -10.880 1.335 6.410 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.282 2.173 7.749 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.873 0.489 8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.757 0.171 10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.258 1.856 10.427 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.984 1.423 10.407 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.604 -1.214 8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.865 -0.019 8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.720 -0.540 7.209 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.343 3.465 8.562 1.00 0.00 N ATOM 1370 CA VAL A 92 -9.698 4.584 9.237 1.00 0.00 C ATOM 1371 C VAL A 92 -10.334 5.910 8.833 1.00 0.00 C ATOM 1372 O VAL A 92 -10.606 6.764 9.679 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.191 4.635 8.924 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -7.957 4.647 7.421 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.552 5.850 9.580 1.00 0.00 C ATOM 0 H VAL A 92 -9.703 2.848 8.062 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.835 4.429 10.307 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.723 3.740 9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.886 4.683 7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.379 3.744 6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.438 5.523 6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.487 5.870 9.349 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.023 6.757 9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.688 5.794 10.660 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.572 6.076 7.537 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.179 7.298 7.021 1.00 0.00 C ATOM 1387 C LEU A 93 -12.671 7.341 7.335 1.00 0.00 C ATOM 1388 O LEU A 93 -13.260 8.416 7.443 1.00 0.00 O ATOM 1389 CB LEU A 93 -10.960 7.400 5.510 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.002 6.706 4.633 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.149 7.653 4.315 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.364 6.190 3.352 1.00 0.00 C ATOM 0 H LEU A 93 -10.354 5.380 6.824 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.700 8.147 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.930 8.455 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.981 6.982 5.276 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.402 5.855 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -13.881 7.141 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.624 7.973 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.765 8.524 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.121 5.699 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.935 7.025 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.578 5.476 3.599 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.273 6.165 7.481 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.695 6.069 7.784 1.00 0.00 C ATOM 1406 C GLN A 94 -14.991 6.598 9.184 1.00 0.00 C ATOM 1407 O GLN A 94 -16.110 7.017 9.476 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.167 4.619 7.663 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.548 4.378 8.253 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.010 2.944 8.088 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.146 2.688 7.686 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.131 1.999 8.397 1.00 0.00 N ATOM 0 H GLN A 94 -12.798 5.266 7.394 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.236 6.681 7.063 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.176 4.335 6.611 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.449 3.969 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.536 4.632 9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.265 5.044 7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.200 2.256 8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.386 1.016 8.305 1.00 0.00 H new ATOM 1421 N GLN A 95 -13.980 6.574 10.046 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.132 7.050 11.416 1.00 0.00 C ATOM 1423 C GLN A 95 -14.056 8.572 11.475 1.00 0.00 C ATOM 1424 O GLN A 95 -14.738 9.208 12.279 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.055 6.438 12.313 1.00 0.00 C ATOM 1426 CG GLN A 95 -12.975 4.923 12.223 1.00 0.00 C ATOM 1427 CD GLN A 95 -12.500 4.285 13.513 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.304 3.920 14.371 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.188 4.147 13.658 1.00 0.00 N ATOM 0 H GLN A 95 -13.047 6.230 9.820 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.113 6.740 11.775 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.087 6.861 12.044 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.251 6.722 13.347 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.957 4.526 11.966 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.298 4.646 11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.557 4.463 12.921 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.810 3.724 14.506 1.00 0.00 H new ATOM 1438 N THR A 96 -13.222 9.152 10.618 1.00 0.00 N ATOM 1439 CA THR A 96 -13.056 10.599 10.573 1.00 0.00 C ATOM 1440 C THR A 96 -14.096 11.244 9.664 1.00 0.00 C ATOM 1441 O THR A 96 -14.529 12.371 9.904 1.00 0.00 O ATOM 1442 CB THR A 96 -11.649 10.987 10.081 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.412 12.380 10.324 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.494 10.693 8.597 1.00 0.00 C ATOM 0 H THR A 96 -12.651 8.641 9.945 1.00 0.00 H new ATOM 0 HA THR A 96 -13.191 10.965 11.591 1.00 0.00 H new ATOM 0 HB THR A 96 -10.919 10.393 10.631 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.515 12.619 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.492 10.975 8.273 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.646 9.628 8.419 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.232 11.264 8.034 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.493 10.523 8.622 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.482 11.026 7.676 1.00 0.00 C ATOM 1454 C TYR A 97 -16.877 10.519 8.025 1.00 0.00 C ATOM 1455 O TYR A 97 -17.817 11.299 8.167 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.115 10.607 6.251 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.004 11.432 5.644 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.248 12.710 5.155 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.709 10.935 5.559 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.236 13.468 4.598 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.690 11.687 5.006 1.00 0.00 C ATOM 1462 CZ TYR A 97 -11.959 12.951 4.526 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.948 13.703 3.973 1.00 0.00 O ATOM 0 H TYR A 97 -14.145 9.588 8.411 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.486 12.114 7.737 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.817 9.559 6.255 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.000 10.684 5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.246 13.118 5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.495 9.944 5.932 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.443 14.459 4.221 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.688 11.287 4.950 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.178 13.713 4.580 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.004 9.202 8.162 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.286 8.611 8.493 1.00 0.00 C ATOM 1475 C GLY A 98 -18.789 7.671 7.415 1.00 0.00 C ATOM 1476 O GLY A 98 -19.661 6.838 7.663 1.00 0.00 O ATOM 0 H GLY A 98 -16.241 8.535 8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.199 8.067 9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.018 9.403 8.650 1.00 0.00 H new ATOM 1480 N SER A 99 -18.236 7.803 6.213 1.00 0.00 N ATOM 1481 CA SER A 99 -18.636 6.963 5.091 1.00 0.00 C ATOM 1482 C SER A 99 -17.437 6.213 4.519 1.00 0.00 C ATOM 1483 O SER A 99 -16.353 6.213 5.102 1.00 0.00 O ATOM 1484 CB SER A 99 -19.291 7.810 3.999 1.00 0.00 C ATOM 1485 OG SER A 99 -20.011 7.000 3.087 1.00 0.00 O ATOM 0 H SER A 99 -17.510 8.484 5.992 1.00 0.00 H new ATOM 0 HA SER A 99 -19.359 6.233 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 99 -19.964 8.537 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.526 8.374 3.464 1.00 0.00 H new ATOM 0 HG SER A 99 -20.421 7.566 2.400 1.00 0.00 H new ATOM 1491 N THR A 100 -17.640 5.573 3.371 1.00 0.00 N ATOM 1492 CA THR A 100 -16.576 4.819 2.718 1.00 0.00 C ATOM 1493 C THR A 100 -16.625 4.997 1.205 1.00 0.00 C ATOM 1494 O THR A 100 -17.468 5.727 0.682 1.00 0.00 O ATOM 1495 CB THR A 100 -16.669 3.317 3.050 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.908 2.785 2.569 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.560 3.086 4.550 1.00 0.00 C ATOM 0 H THR A 100 -18.531 5.562 2.875 1.00 0.00 H new ATOM 0 HA THR A 100 -15.632 5.211 3.096 1.00 0.00 H new ATOM 0 HB THR A 100 -15.840 2.807 2.559 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.959 1.830 2.782 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.628 2.019 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.603 3.466 4.908 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.371 3.608 5.058 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.715 4.328 0.506 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.653 4.411 -0.948 1.00 0.00 C ATOM 1507 C LEU A 101 -16.191 3.137 -1.591 1.00 0.00 C ATOM 1508 O LEU A 101 -16.210 2.074 -0.967 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.215 4.659 -1.405 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.682 6.078 -1.202 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -12.164 6.097 -1.300 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -14.295 7.029 -2.220 1.00 0.00 C ATOM 0 H LEU A 101 -15.009 3.721 0.924 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.277 5.247 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.562 3.967 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.144 4.414 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.966 6.413 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.803 7.115 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.742 5.448 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.858 5.742 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.904 8.034 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -14.042 6.697 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.379 7.038 -2.103 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.624 3.248 -2.842 1.00 0.00 N ATOM 1525 CA LYS A 102 -17.157 2.103 -3.572 1.00 0.00 C ATOM 1526 C LYS A 102 -16.078 1.454 -4.431 1.00 0.00 C ATOM 1527 O LYS A 102 -15.435 2.117 -5.244 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.332 2.537 -4.452 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.978 1.391 -5.212 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.425 0.283 -4.273 1.00 0.00 C ATOM 1531 CE LYS A 102 -20.035 -0.882 -5.038 1.00 0.00 C ATOM 1532 NZ LYS A 102 -19.117 -2.053 -5.091 1.00 0.00 N ATOM 0 H LYS A 102 -16.616 4.119 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.506 1.370 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.085 3.018 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.984 3.285 -5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.836 1.762 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.271 0.991 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.573 -0.068 -3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.154 0.677 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.972 -1.176 -4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.276 -0.564 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -19.570 -2.825 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.233 -1.780 -5.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -18.907 -2.373 -4.124 1.00 0.00 H new