USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 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 76 HIS : no HD1:sc= -4.66! C(o=-9.8!,f=-11!) USER MOD Set 1.2: A 79 GLN : amide:sc= -5.17! C(o=-9.8!,f=-15!) USER MOD Single : A 7 THR OG1 : rot -44:sc= 0.53 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -87:sc= -0.555 USER MOD Single : A 15 HIS : no HD1:sc= -4.86 K(o=-4.9,f=-0.67) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.39) USER MOD Single : A 27 SER OG : rot -59:sc= 0.122 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 91:sc= 0.0641 USER MOD Single : A 39 CYS SG : rot -47:sc= -0.0244 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 49:sc= -3! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -131:sc= -0.447 (180deg=-1.21) USER MOD Single : A 70 GLN : amide:sc= -3.07! C(o=-3.1!,f=-1.6!) USER MOD Single : A 80 GLN : amide:sc= -2.08! C(o=-2.1!,f=-2.3!) USER MOD Single : A 82 TYR OH : rot 90:sc= -0.737 USER MOD Single : A 84 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A 87 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.5!) USER MOD Single : A 91 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.4!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 29:sc= 0.471 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 7 -7.682 -0.259 -10.545 1.00 0.00 N ATOM 67 CA THR A 7 -6.338 -0.191 -9.997 1.00 0.00 C ATOM 68 C THR A 7 -6.381 -0.269 -8.469 1.00 0.00 C ATOM 69 O THR A 7 -7.426 -0.045 -7.861 1.00 0.00 O ATOM 70 CB THR A 7 -5.678 1.085 -10.522 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.740 2.034 -10.565 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.233 0.956 -11.980 1.00 0.00 C ATOM 0 HA THR A 7 -5.736 -1.041 -10.318 1.00 0.00 H new ATOM 0 HB THR A 7 -4.817 1.330 -9.900 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.537 1.616 -10.953 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.771 1.889 -12.303 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.512 0.144 -12.070 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.099 0.743 -12.607 1.00 0.00 H new ATOM 80 N PRO A 8 -5.201 -0.595 -7.877 1.00 0.00 N ATOM 81 CA PRO A 8 -5.093 -0.705 -6.432 1.00 0.00 C ATOM 82 C PRO A 8 -5.079 0.678 -5.777 1.00 0.00 C ATOM 83 O PRO A 8 -5.803 0.919 -4.812 1.00 0.00 O ATOM 84 CB PRO A 8 -3.814 -1.489 -6.192 1.00 0.00 C ATOM 85 CG PRO A 8 -3.014 -1.387 -7.480 1.00 0.00 C ATOM 86 CD PRO A 8 -3.942 -0.867 -8.565 1.00 0.00 C ATOM 0 HA PRO A 8 -5.946 -1.214 -5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.255 -1.077 -5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.033 -2.529 -5.950 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.165 -0.716 -7.350 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.611 -2.361 -7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.542 0.034 -9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.075 -1.603 -9.358 1.00 0.00 H new ATOM 94 N LEU A 9 -4.247 1.550 -6.327 1.00 0.00 N ATOM 95 CA LEU A 9 -4.129 2.902 -5.808 1.00 0.00 C ATOM 96 C LEU A 9 -5.506 3.569 -5.819 1.00 0.00 C ATOM 97 O LEU A 9 -5.852 4.302 -4.893 1.00 0.00 O ATOM 98 CB LEU A 9 -3.062 3.681 -6.579 1.00 0.00 C ATOM 99 CG LEU A 9 -2.869 5.142 -6.167 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.601 5.257 -4.665 1.00 0.00 C ATOM 101 CD2 LEU A 9 -1.768 5.805 -6.997 1.00 0.00 C ATOM 0 H LEU A 9 -3.648 1.347 -7.127 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.791 2.884 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.110 3.163 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.315 3.654 -7.639 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.795 5.680 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.467 6.305 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.446 4.847 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.698 4.701 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.651 6.843 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.829 5.273 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.039 5.773 -8.052 1.00 0.00 H new ATOM 113 N SER A 10 -6.254 3.292 -6.877 1.00 0.00 N ATOM 114 CA SER A 10 -7.585 3.857 -7.020 1.00 0.00 C ATOM 115 C SER A 10 -8.530 3.239 -5.988 1.00 0.00 C ATOM 116 O SER A 10 -9.216 3.956 -5.262 1.00 0.00 O ATOM 117 CB SER A 10 -8.127 3.637 -8.434 1.00 0.00 C ATOM 118 OG SER A 10 -9.448 4.150 -8.586 1.00 0.00 O ATOM 0 H SER A 10 -5.964 2.684 -7.643 1.00 0.00 H new ATOM 0 HA SER A 10 -7.521 4.931 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.466 4.119 -9.154 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.124 2.571 -8.662 1.00 0.00 H new ATOM 0 HG SER A 10 -9.757 3.991 -9.502 1.00 0.00 H new ATOM 124 N LEU A 11 -8.535 1.914 -5.956 1.00 0.00 N ATOM 125 CA LEU A 11 -9.385 1.192 -5.025 1.00 0.00 C ATOM 126 C LEU A 11 -9.085 1.660 -3.599 1.00 0.00 C ATOM 127 O LEU A 11 -9.993 2.050 -2.866 1.00 0.00 O ATOM 128 CB LEU A 11 -9.232 -0.318 -5.221 1.00 0.00 C ATOM 129 CG LEU A 11 -9.693 -0.869 -6.572 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.834 -2.060 -7.001 1.00 0.00 C ATOM 131 CD2 LEU A 11 -11.183 -1.217 -6.543 1.00 0.00 C ATOM 0 H LEU A 11 -7.964 1.322 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.435 1.411 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.182 -0.578 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.791 -0.825 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.559 -0.090 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.183 -2.432 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.794 -1.746 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.912 -2.852 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.485 -1.606 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.366 -1.971 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.761 -0.322 -6.315 1.00 0.00 H new ATOM 143 N THR A 12 -7.808 1.606 -3.249 1.00 0.00 N ATOM 144 CA THR A 12 -7.377 2.019 -1.924 1.00 0.00 C ATOM 145 C THR A 12 -7.894 3.424 -1.610 1.00 0.00 C ATOM 146 O THR A 12 -8.544 3.636 -0.587 1.00 0.00 O ATOM 147 CB THR A 12 -5.853 1.905 -1.866 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.403 2.706 -2.955 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.357 0.499 -2.208 1.00 0.00 C ATOM 0 H THR A 12 -7.058 1.283 -3.860 1.00 0.00 H new ATOM 0 HA THR A 12 -7.795 1.373 -1.152 1.00 0.00 H new ATOM 0 HB THR A 12 -5.507 2.179 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.383 2.166 -3.772 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.269 0.473 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.774 -0.216 -1.499 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.675 0.237 -3.217 1.00 0.00 H new ATOM 157 N LEU A 13 -7.587 4.348 -2.509 1.00 0.00 N ATOM 158 CA LEU A 13 -8.012 5.727 -2.340 1.00 0.00 C ATOM 159 C LEU A 13 -9.536 5.774 -2.206 1.00 0.00 C ATOM 160 O LEU A 13 -10.067 6.493 -1.362 1.00 0.00 O ATOM 161 CB LEU A 13 -7.468 6.598 -3.473 1.00 0.00 C ATOM 162 CG LEU A 13 -5.959 6.854 -3.458 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.501 7.512 -4.760 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.554 7.671 -2.229 1.00 0.00 C ATOM 0 H LEU A 13 -7.049 4.168 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.598 6.143 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.727 6.129 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.980 7.560 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.450 5.893 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.425 7.683 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.736 6.858 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.015 8.465 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.477 7.839 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.071 8.630 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.825 7.126 -1.325 1.00 0.00 H new ATOM 176 N ASP A 14 -10.196 4.997 -3.053 1.00 0.00 N ATOM 177 CA ASP A 14 -11.648 4.941 -3.040 1.00 0.00 C ATOM 178 C ASP A 14 -12.123 4.455 -1.669 1.00 0.00 C ATOM 179 O ASP A 14 -13.256 4.720 -1.271 1.00 0.00 O ATOM 180 CB ASP A 14 -12.171 3.963 -4.094 1.00 0.00 C ATOM 181 CG ASP A 14 -12.286 4.538 -5.508 1.00 0.00 C ATOM 182 OD1 ASP A 14 -12.605 5.743 -5.606 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.054 3.760 -6.458 1.00 0.00 O ATOM 0 H ASP A 14 -9.752 4.402 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.026 5.940 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.511 3.096 -4.123 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.153 3.606 -3.782 1.00 0.00 H new ATOM 188 N HIS A 15 -11.232 3.753 -0.984 1.00 0.00 N ATOM 189 CA HIS A 15 -11.546 3.228 0.334 1.00 0.00 C ATOM 190 C HIS A 15 -10.541 3.767 1.354 1.00 0.00 C ATOM 191 O HIS A 15 -10.127 3.048 2.262 1.00 0.00 O ATOM 192 CB HIS A 15 -11.605 1.699 0.310 1.00 0.00 C ATOM 193 CG HIS A 15 -12.954 1.143 -0.078 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.124 1.491 0.573 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.306 0.261 -1.057 1.00 0.00 C ATOM 196 CE1 HIS A 15 -15.129 0.841 0.004 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.620 0.079 -1.006 1.00 0.00 N ATOM 0 H HIS A 15 -10.293 3.536 -1.317 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.536 3.567 0.638 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.856 1.328 -0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.337 1.320 1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.630 -0.210 -1.756 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.169 0.904 0.290 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -15.160 -0.530 -1.621 1.00 0.00 H new ATOM 205 N TRP A 16 -10.178 5.027 1.170 1.00 0.00 N ATOM 206 CA TRP A 16 -9.229 5.671 2.062 1.00 0.00 C ATOM 207 C TRP A 16 -9.676 5.402 3.501 1.00 0.00 C ATOM 208 O TRP A 16 -8.845 5.192 4.383 1.00 0.00 O ATOM 209 CB TRP A 16 -9.102 7.162 1.745 1.00 0.00 C ATOM 210 CG TRP A 16 -8.068 7.895 2.602 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.246 8.992 3.351 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.681 7.537 2.770 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.080 9.366 3.986 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.097 8.453 3.622 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.943 6.474 2.220 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.750 8.398 3.999 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.598 6.434 2.607 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.995 7.348 3.463 1.00 0.00 C ATOM 0 H TRP A 16 -10.524 5.620 0.416 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.230 5.259 1.924 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.836 7.278 0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.074 7.636 1.882 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.185 9.517 3.446 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.961 10.165 4.608 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.379 5.746 1.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.316 9.127 4.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.986 5.637 2.212 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.949 7.249 3.713 1.00 0.00 H new ATOM 229 N SER A 17 -10.987 5.417 3.692 1.00 0.00 N ATOM 230 CA SER A 17 -11.553 5.177 5.008 1.00 0.00 C ATOM 231 C SER A 17 -11.020 3.860 5.576 1.00 0.00 C ATOM 232 O SER A 17 -10.651 3.789 6.747 1.00 0.00 O ATOM 233 CB SER A 17 -13.082 5.150 4.953 1.00 0.00 C ATOM 234 OG SER A 17 -13.655 6.364 5.430 1.00 0.00 O ATOM 0 H SER A 17 -11.673 5.592 2.958 1.00 0.00 H new ATOM 0 HA SER A 17 -11.253 5.995 5.663 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.405 4.976 3.927 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.452 4.316 5.549 1.00 0.00 H new ATOM 0 HG SER A 17 -14.632 6.308 5.377 1.00 0.00 H new ATOM 240 N GLU A 18 -10.995 2.850 4.719 1.00 0.00 N ATOM 241 CA GLU A 18 -10.512 1.540 5.120 1.00 0.00 C ATOM 242 C GLU A 18 -9.007 1.589 5.392 1.00 0.00 C ATOM 243 O GLU A 18 -8.532 1.026 6.377 1.00 0.00 O ATOM 244 CB GLU A 18 -10.844 0.485 4.063 1.00 0.00 C ATOM 245 CG GLU A 18 -10.082 -0.815 4.326 1.00 0.00 C ATOM 246 CD GLU A 18 -10.449 -1.398 5.693 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.502 -2.068 5.760 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.667 -1.162 6.639 1.00 0.00 O ATOM 0 H GLU A 18 -11.302 2.913 3.748 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.019 1.255 6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.916 0.289 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.591 0.865 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.311 -1.539 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.009 -0.627 4.283 1.00 0.00 H new ATOM 255 N ILE A 19 -8.299 2.266 4.500 1.00 0.00 N ATOM 256 CA ILE A 19 -6.858 2.396 4.631 1.00 0.00 C ATOM 257 C ILE A 19 -6.534 3.167 5.912 1.00 0.00 C ATOM 258 O ILE A 19 -5.528 2.897 6.566 1.00 0.00 O ATOM 259 CB ILE A 19 -6.259 3.020 3.369 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.924 2.458 2.111 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.739 2.847 3.340 1.00 0.00 C ATOM 262 CD1 ILE A 19 -7.035 0.934 2.183 1.00 0.00 C ATOM 0 H ILE A 19 -8.697 2.730 3.684 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.394 1.414 4.724 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.461 4.091 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.917 2.893 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.346 2.743 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.339 3.299 2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.301 3.333 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.493 1.785 3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.511 0.561 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.039 0.501 2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.634 0.653 3.049 1.00 0.00 H new ATOM 274 N ARG A 20 -7.405 4.113 6.232 1.00 0.00 N ATOM 275 CA ARG A 20 -7.224 4.926 7.423 1.00 0.00 C ATOM 276 C ARG A 20 -7.483 4.091 8.679 1.00 0.00 C ATOM 277 O ARG A 20 -6.917 4.363 9.736 1.00 0.00 O ATOM 278 CB ARG A 20 -8.167 6.131 7.416 1.00 0.00 C ATOM 279 CG ARG A 20 -7.695 7.190 6.418 1.00 0.00 C ATOM 280 CD ARG A 20 -8.136 8.589 6.853 1.00 0.00 C ATOM 281 NE ARG A 20 -9.607 8.713 6.745 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.330 9.656 7.364 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.722 10.564 8.140 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.660 9.692 7.207 1.00 0.00 N ATOM 0 H ARG A 20 -8.238 4.335 5.687 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.195 5.285 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.175 5.807 7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.217 6.564 8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.609 7.157 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.098 6.969 5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.822 8.775 7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.653 9.342 6.230 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.102 8.038 6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.709 10.537 8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.272 11.282 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.123 9.001 6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.210 10.410 7.678 1.00 0.00 H new ATOM 298 N SER A 21 -8.340 3.093 8.521 1.00 0.00 N ATOM 299 CA SER A 21 -8.681 2.218 9.630 1.00 0.00 C ATOM 300 C SER A 21 -7.477 1.350 10.001 1.00 0.00 C ATOM 301 O SER A 21 -7.121 1.245 11.173 1.00 0.00 O ATOM 302 CB SER A 21 -9.884 1.337 9.286 1.00 0.00 C ATOM 303 OG SER A 21 -10.938 1.479 10.234 1.00 0.00 O ATOM 0 H SER A 21 -8.808 2.871 7.642 1.00 0.00 H new ATOM 0 HA SER A 21 -8.951 2.838 10.485 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.252 1.597 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.570 0.294 9.246 1.00 0.00 H new ATOM 0 HG SER A 21 -11.688 0.902 9.978 1.00 0.00 H new ATOM 309 N ARG A 22 -6.883 0.750 8.980 1.00 0.00 N ATOM 310 CA ARG A 22 -5.726 -0.105 9.184 1.00 0.00 C ATOM 311 C ARG A 22 -4.626 0.658 9.923 1.00 0.00 C ATOM 312 O ARG A 22 -3.889 0.077 10.719 1.00 0.00 O ATOM 313 CB ARG A 22 -5.176 -0.615 7.851 1.00 0.00 C ATOM 314 CG ARG A 22 -6.245 -1.389 7.076 1.00 0.00 C ATOM 315 CD ARG A 22 -5.688 -2.712 6.547 1.00 0.00 C ATOM 316 NE ARG A 22 -6.496 -3.178 5.398 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.613 -3.909 5.513 1.00 0.00 C ATOM 318 NH1 ARG A 22 -8.062 -4.261 6.725 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.282 -4.287 4.415 1.00 0.00 N ATOM 0 H ARG A 22 -7.181 0.839 8.009 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.046 -0.958 9.782 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.826 0.226 7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.315 -1.259 8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.100 -1.583 7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.606 -0.784 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.649 -2.583 6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.698 -3.462 7.338 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.183 -2.927 4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.554 -3.973 7.561 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.912 -4.817 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.941 -4.018 3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.132 -4.844 4.502 1.00 0.00 H new ATOM 333 N ALA A 23 -4.549 1.949 9.635 1.00 0.00 N ATOM 334 CA ALA A 23 -3.550 2.798 10.263 1.00 0.00 C ATOM 335 C ALA A 23 -3.867 2.933 11.754 1.00 0.00 C ATOM 336 O ALA A 23 -2.965 2.895 12.589 1.00 0.00 O ATOM 337 CB ALA A 23 -3.510 4.152 9.550 1.00 0.00 C ATOM 0 H ALA A 23 -5.162 2.428 8.975 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.558 2.354 10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.761 4.789 10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.253 4.003 8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.488 4.629 9.620 1.00 0.00 H new ATOM 343 N HIS A 24 -5.151 3.088 12.042 1.00 0.00 N ATOM 344 CA HIS A 24 -5.597 3.229 13.417 1.00 0.00 C ATOM 345 C HIS A 24 -5.265 1.956 14.198 1.00 0.00 C ATOM 346 O HIS A 24 -4.737 2.023 15.307 1.00 0.00 O ATOM 347 CB HIS A 24 -7.084 3.587 13.472 1.00 0.00 C ATOM 348 CG HIS A 24 -7.432 4.604 14.533 1.00 0.00 C ATOM 349 ND1 HIS A 24 -7.762 4.252 15.829 1.00 0.00 N ATOM 350 CD2 HIS A 24 -7.496 5.966 14.475 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.013 5.359 16.513 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.848 6.420 15.671 1.00 0.00 N ATOM 0 H HIS A 24 -5.896 3.119 11.346 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.066 4.054 13.892 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.391 3.972 12.500 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.660 2.679 13.651 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.294 6.571 13.604 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.298 5.412 17.553 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.974 7.401 15.920 1.00 0.00 H new ATOM 360 N ASN A 25 -5.588 0.825 13.587 1.00 0.00 N ATOM 361 CA ASN A 25 -5.331 -0.462 14.211 1.00 0.00 C ATOM 362 C ASN A 25 -3.820 -0.668 14.340 1.00 0.00 C ATOM 363 O ASN A 25 -3.357 -1.329 15.269 1.00 0.00 O ATOM 364 CB ASN A 25 -5.893 -1.606 13.365 1.00 0.00 C ATOM 365 CG ASN A 25 -6.773 -2.530 14.209 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.506 -2.796 15.370 1.00 0.00 O ATOM 367 ND2 ASN A 25 -7.835 -3.004 13.563 1.00 0.00 N ATOM 0 H ASN A 25 -6.025 0.773 12.667 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.813 -0.466 15.189 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.475 -1.200 12.538 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.074 -2.177 12.928 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.484 -3.630 14.039 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.000 -2.741 12.591 1.00 0.00 H new ATOM 374 N LEU A 26 -3.093 -0.090 13.395 1.00 0.00 N ATOM 375 CA LEU A 26 -1.644 -0.202 13.392 1.00 0.00 C ATOM 376 C LEU A 26 -1.046 0.950 14.201 1.00 0.00 C ATOM 377 O LEU A 26 0.172 1.048 14.341 1.00 0.00 O ATOM 378 CB LEU A 26 -1.117 -0.286 11.958 1.00 0.00 C ATOM 379 CG LEU A 26 -1.461 -1.564 11.191 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.088 -1.433 9.712 1.00 0.00 C ATOM 381 CD2 LEU A 26 -0.808 -2.786 11.840 1.00 0.00 C ATOM 0 H LEU A 26 -3.480 0.457 12.626 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.332 -1.127 13.877 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.505 0.565 11.399 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.032 -0.182 11.984 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.540 -1.711 11.240 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.343 -2.355 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.638 -0.602 9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.017 -1.249 9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.069 -3.681 11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.275 -2.661 11.843 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.164 -2.888 12.865 1.00 0.00 H new ATOM 393 N SER A 27 -1.931 1.793 14.712 1.00 0.00 N ATOM 394 CA SER A 27 -1.505 2.935 15.504 1.00 0.00 C ATOM 395 C SER A 27 -0.536 3.800 14.696 1.00 0.00 C ATOM 396 O SER A 27 0.536 4.158 15.182 1.00 0.00 O ATOM 397 CB SER A 27 -0.852 2.486 16.812 1.00 0.00 C ATOM 398 OG SER A 27 -0.664 3.572 17.716 1.00 0.00 O ATOM 0 H SER A 27 -2.941 1.709 14.593 1.00 0.00 H new ATOM 0 HA SER A 27 -2.387 3.525 15.754 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.473 1.725 17.284 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.111 2.023 16.596 1.00 0.00 H new ATOM 0 HG SER A 27 -0.094 4.251 17.298 1.00 0.00 H new ATOM 404 N VAL A 28 -0.947 4.111 13.475 1.00 0.00 N ATOM 405 CA VAL A 28 -0.128 4.927 12.595 1.00 0.00 C ATOM 406 C VAL A 28 -1.018 5.937 11.868 1.00 0.00 C ATOM 407 O VAL A 28 -2.201 5.680 11.646 1.00 0.00 O ATOM 408 CB VAL A 28 0.666 4.033 11.640 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.685 3.184 12.403 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.270 3.151 10.810 1.00 0.00 C ATOM 0 H VAL A 28 -1.836 3.812 13.075 1.00 0.00 H new ATOM 0 HA VAL A 28 0.603 5.494 13.171 1.00 0.00 H new ATOM 0 HB VAL A 28 1.215 4.679 10.954 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.236 2.558 11.701 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.381 3.837 12.930 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.165 2.551 13.123 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.319 2.525 10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.858 2.518 11.475 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.939 3.781 10.224 1.00 0.00 H new ATOM 420 N GLU A 29 -0.416 7.063 11.516 1.00 0.00 N ATOM 421 CA GLU A 29 -1.139 8.112 10.818 1.00 0.00 C ATOM 422 C GLU A 29 -0.599 8.274 9.396 1.00 0.00 C ATOM 423 O GLU A 29 0.607 8.412 9.199 1.00 0.00 O ATOM 424 CB GLU A 29 -1.066 9.433 11.587 1.00 0.00 C ATOM 425 CG GLU A 29 -1.914 10.510 10.908 1.00 0.00 C ATOM 426 CD GLU A 29 -3.367 10.445 11.382 1.00 0.00 C ATOM 427 OE1 GLU A 29 -3.983 9.376 11.179 1.00 0.00 O ATOM 428 OE2 GLU A 29 -3.829 11.464 11.938 1.00 0.00 O ATOM 0 H GLU A 29 0.565 7.272 11.701 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.188 7.823 10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.413 9.283 12.609 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.030 9.766 11.648 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.500 11.495 11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.875 10.380 9.826 1.00 0.00 H new ATOM 435 N ILE A 30 -1.518 8.252 8.442 1.00 0.00 N ATOM 436 CA ILE A 30 -1.149 8.395 7.044 1.00 0.00 C ATOM 437 C ILE A 30 -2.069 9.421 6.380 1.00 0.00 C ATOM 438 O ILE A 30 -3.111 9.774 6.931 1.00 0.00 O ATOM 439 CB ILE A 30 -1.144 7.032 6.349 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.530 6.386 6.400 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.065 6.120 6.937 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.472 4.926 5.948 1.00 0.00 C ATOM 0 H ILE A 30 -2.518 8.137 8.610 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.131 8.775 6.956 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.898 7.185 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.923 6.441 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.217 6.941 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.083 5.158 6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.913 6.582 6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.255 5.969 8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.470 4.491 5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.101 4.877 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.803 4.369 6.603 1.00 0.00 H new ATOM 454 N LYS A 31 -1.652 9.870 5.205 1.00 0.00 N ATOM 455 CA LYS A 31 -2.426 10.848 4.460 1.00 0.00 C ATOM 456 C LYS A 31 -2.754 10.286 3.076 1.00 0.00 C ATOM 457 O LYS A 31 -2.183 9.278 2.660 1.00 0.00 O ATOM 458 CB LYS A 31 -1.696 12.192 4.421 1.00 0.00 C ATOM 459 CG LYS A 31 -2.138 13.091 5.577 1.00 0.00 C ATOM 460 CD LYS A 31 -2.668 14.430 5.060 1.00 0.00 C ATOM 461 CE LYS A 31 -2.046 15.598 5.828 1.00 0.00 C ATOM 462 NZ LYS A 31 -3.089 16.572 6.222 1.00 0.00 N ATOM 0 H LYS A 31 -0.788 9.574 4.751 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.376 11.042 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.620 12.027 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.895 12.690 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.912 12.589 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.298 13.264 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.444 14.528 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.753 14.460 5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.533 15.226 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.296 16.090 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.651 17.359 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.560 16.940 5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.790 16.103 6.830 1.00 0.00 H new ATOM 476 N LYS A 32 -3.672 10.961 2.400 1.00 0.00 N ATOM 477 CA LYS A 32 -4.083 10.541 1.071 1.00 0.00 C ATOM 478 C LYS A 32 -3.165 11.185 0.031 1.00 0.00 C ATOM 479 O LYS A 32 -2.824 10.561 -0.973 1.00 0.00 O ATOM 480 CB LYS A 32 -5.567 10.838 0.850 1.00 0.00 C ATOM 481 CG LYS A 32 -6.142 9.962 -0.266 1.00 0.00 C ATOM 482 CD LYS A 32 -7.439 10.558 -0.817 1.00 0.00 C ATOM 483 CE LYS A 32 -8.615 9.603 -0.603 1.00 0.00 C ATOM 484 NZ LYS A 32 -9.714 9.914 -1.544 1.00 0.00 N ATOM 0 H LYS A 32 -4.143 11.796 2.748 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.979 9.461 0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.118 10.664 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.697 11.890 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.412 9.865 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.332 8.959 0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.644 11.509 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.324 10.767 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.286 8.574 -0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.974 9.683 0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.504 9.256 -1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.039 10.890 -1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.373 9.815 -2.521 1.00 0.00 H new ATOM 498 N GLY A 33 -2.790 12.426 0.306 1.00 0.00 N ATOM 499 CA GLY A 33 -1.918 13.162 -0.593 1.00 0.00 C ATOM 500 C GLY A 33 -0.608 12.407 -0.826 1.00 0.00 C ATOM 501 O GLY A 33 -0.193 12.213 -1.967 1.00 0.00 O ATOM 0 H GLY A 33 -3.075 12.940 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.424 13.323 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.705 14.146 -0.175 1.00 0.00 H new ATOM 505 N PRO A 34 0.025 11.992 0.305 1.00 0.00 N ATOM 506 CA PRO A 34 1.280 11.263 0.235 1.00 0.00 C ATOM 507 C PRO A 34 1.050 9.817 -0.209 1.00 0.00 C ATOM 508 O PRO A 34 1.825 9.276 -0.996 1.00 0.00 O ATOM 509 CB PRO A 34 1.874 11.369 1.630 1.00 0.00 C ATOM 510 CG PRO A 34 0.722 11.750 2.546 1.00 0.00 C ATOM 511 CD PRO A 34 -0.436 12.205 1.673 1.00 0.00 C ATOM 0 HA PRO A 34 1.965 11.673 -0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.321 10.423 1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.663 12.120 1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.426 10.900 3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.023 12.546 3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.338 11.630 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.678 13.253 1.851 1.00 0.00 H new ATOM 519 N TRP A 35 -0.017 9.233 0.316 1.00 0.00 N ATOM 520 CA TRP A 35 -0.359 7.861 -0.017 1.00 0.00 C ATOM 521 C TRP A 35 -0.331 7.723 -1.540 1.00 0.00 C ATOM 522 O TRP A 35 0.125 6.708 -2.067 1.00 0.00 O ATOM 523 CB TRP A 35 -1.704 7.467 0.595 1.00 0.00 C ATOM 524 CG TRP A 35 -2.245 6.124 0.098 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.930 5.876 -1.027 1.00 0.00 C ATOM 526 CD2 TRP A 35 -2.116 4.848 0.759 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.251 4.538 -1.138 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.740 3.894 -0.018 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.493 4.511 1.974 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.802 2.540 0.334 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.564 3.154 2.311 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.188 2.181 1.540 1.00 0.00 C ATOM 0 H TRP A 35 -0.656 9.685 0.970 1.00 0.00 H new ATOM 0 HA TRP A 35 0.367 7.168 0.408 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.600 7.426 1.679 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.434 8.245 0.374 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.197 6.628 -1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.768 4.102 -1.902 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.999 5.241 2.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.297 1.812 -0.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.101 2.841 3.235 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.199 1.153 1.869 1.00 0.00 H new ATOM 543 N ARG A 36 -0.824 8.757 -2.206 1.00 0.00 N ATOM 544 CA ARG A 36 -0.861 8.763 -3.658 1.00 0.00 C ATOM 545 C ARG A 36 0.526 9.073 -4.224 1.00 0.00 C ATOM 546 O ARG A 36 1.021 8.356 -5.092 1.00 0.00 O ATOM 547 CB ARG A 36 -1.860 9.799 -4.179 1.00 0.00 C ATOM 548 CG ARG A 36 -1.848 9.852 -5.708 1.00 0.00 C ATOM 549 CD ARG A 36 -3.247 10.139 -6.257 1.00 0.00 C ATOM 550 NE ARG A 36 -3.147 10.783 -7.586 1.00 0.00 N ATOM 551 CZ ARG A 36 -4.155 11.432 -8.184 1.00 0.00 C ATOM 552 NH1 ARG A 36 -5.345 11.527 -7.576 1.00 0.00 N ATOM 553 NH2 ARG A 36 -3.973 11.985 -9.391 1.00 0.00 N ATOM 0 H ARG A 36 -1.201 9.597 -1.766 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.177 7.773 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.862 9.552 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.614 10.781 -3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.156 10.625 -6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.485 8.904 -6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.813 9.211 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.790 10.787 -5.570 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.255 10.729 -8.077 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.484 11.105 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.112 12.021 -8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.067 11.912 -9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.740 12.479 -9.847 1.00 0.00 H new ATOM 567 N THR A 37 1.115 10.143 -3.708 1.00 0.00 N ATOM 568 CA THR A 37 2.435 10.556 -4.151 1.00 0.00 C ATOM 569 C THR A 37 3.430 9.403 -4.011 1.00 0.00 C ATOM 570 O THR A 37 4.129 9.061 -4.964 1.00 0.00 O ATOM 571 CB THR A 37 2.832 11.801 -3.355 1.00 0.00 C ATOM 572 OG1 THR A 37 2.113 12.859 -3.983 1.00 0.00 O ATOM 573 CG2 THR A 37 4.301 12.179 -3.554 1.00 0.00 C ATOM 0 H THR A 37 0.702 10.735 -2.988 1.00 0.00 H new ATOM 0 HA THR A 37 2.434 10.815 -5.210 1.00 0.00 H new ATOM 0 HB THR A 37 2.641 11.630 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.241 12.965 -3.548 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.530 13.069 -2.968 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.936 11.355 -3.228 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.485 12.383 -4.609 1.00 0.00 H new ATOM 581 N PHE A 38 3.463 8.834 -2.815 1.00 0.00 N ATOM 582 CA PHE A 38 4.361 7.726 -2.538 1.00 0.00 C ATOM 583 C PHE A 38 4.152 6.587 -3.538 1.00 0.00 C ATOM 584 O PHE A 38 5.107 5.920 -3.934 1.00 0.00 O ATOM 585 CB PHE A 38 4.029 7.221 -1.132 1.00 0.00 C ATOM 586 CG PHE A 38 4.576 8.103 -0.008 1.00 0.00 C ATOM 587 CD1 PHE A 38 5.824 8.635 -0.108 1.00 0.00 C ATOM 588 CD2 PHE A 38 3.815 8.356 1.090 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.333 9.454 0.935 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.323 9.175 2.133 1.00 0.00 C ATOM 591 CZ PHE A 38 5.571 9.706 2.033 1.00 0.00 C ATOM 0 H PHE A 38 2.882 9.120 -2.027 1.00 0.00 H new ATOM 0 HA PHE A 38 5.396 8.058 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.946 7.149 -1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.428 6.213 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.428 8.435 -0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.824 7.934 1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.324 9.876 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.719 9.376 3.005 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.957 10.329 2.826 1.00 0.00 H new ATOM 601 N CYS A 39 2.897 6.400 -3.918 1.00 0.00 N ATOM 602 CA CYS A 39 2.550 5.353 -4.865 1.00 0.00 C ATOM 603 C CYS A 39 2.498 5.969 -6.265 1.00 0.00 C ATOM 604 O CYS A 39 2.021 5.339 -7.207 1.00 0.00 O ATOM 605 CB CYS A 39 1.233 4.668 -4.494 1.00 0.00 C ATOM 606 SG CYS A 39 1.061 3.099 -5.419 1.00 0.00 S ATOM 0 H CYS A 39 2.108 6.955 -3.588 1.00 0.00 H new ATOM 0 HA CYS A 39 3.309 4.571 -4.841 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.205 4.473 -3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.395 5.327 -4.720 1.00 0.00 H new ATOM 0 HG CYS A 39 1.350 3.299 -6.670 1.00 0.00 H new ATOM 612 N ALA A 40 2.996 7.194 -6.356 1.00 0.00 N ATOM 613 CA ALA A 40 3.013 7.902 -7.624 1.00 0.00 C ATOM 614 C ALA A 40 4.348 7.648 -8.328 1.00 0.00 C ATOM 615 O ALA A 40 4.379 7.100 -9.428 1.00 0.00 O ATOM 616 CB ALA A 40 2.756 9.391 -7.382 1.00 0.00 C ATOM 0 H ALA A 40 3.391 7.714 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 40 2.221 7.536 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.769 9.922 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.783 9.520 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.533 9.793 -6.732 1.00 0.00 H new ATOM 622 N SER A 41 5.418 8.060 -7.664 1.00 0.00 N ATOM 623 CA SER A 41 6.752 7.884 -8.212 1.00 0.00 C ATOM 624 C SER A 41 7.778 7.817 -7.079 1.00 0.00 C ATOM 625 O SER A 41 8.883 8.343 -7.205 1.00 0.00 O ATOM 626 CB SER A 41 7.103 9.015 -9.180 1.00 0.00 C ATOM 627 OG SER A 41 7.807 8.539 -10.324 1.00 0.00 O ATOM 0 H SER A 41 5.388 8.515 -6.752 1.00 0.00 H new ATOM 0 HA SER A 41 6.773 6.947 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.189 9.516 -9.499 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.710 9.759 -8.664 1.00 0.00 H new ATOM 0 HG SER A 41 8.012 9.291 -10.918 1.00 0.00 H new ATOM 633 N GLU A 42 7.377 7.164 -5.998 1.00 0.00 N ATOM 634 CA GLU A 42 8.248 7.021 -4.844 1.00 0.00 C ATOM 635 C GLU A 42 8.523 5.542 -4.566 1.00 0.00 C ATOM 636 O GLU A 42 9.665 5.155 -4.322 1.00 0.00 O ATOM 637 CB GLU A 42 7.647 7.707 -3.615 1.00 0.00 C ATOM 638 CG GLU A 42 8.731 8.038 -2.587 1.00 0.00 C ATOM 639 CD GLU A 42 9.350 9.409 -2.866 1.00 0.00 C ATOM 640 OE1 GLU A 42 10.068 9.511 -3.884 1.00 0.00 O ATOM 641 OE2 GLU A 42 9.093 10.324 -2.054 1.00 0.00 O ATOM 0 H GLU A 42 6.460 6.728 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 42 9.196 7.511 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.136 8.621 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.897 7.058 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.303 8.025 -1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.507 7.273 -2.612 1.00 0.00 H new ATOM 648 N TRP A 43 7.458 4.756 -4.614 1.00 0.00 N ATOM 649 CA TRP A 43 7.571 3.328 -4.370 1.00 0.00 C ATOM 650 C TRP A 43 8.123 2.674 -5.639 1.00 0.00 C ATOM 651 O TRP A 43 9.006 1.821 -5.568 1.00 0.00 O ATOM 652 CB TRP A 43 6.229 2.739 -3.931 1.00 0.00 C ATOM 653 CG TRP A 43 5.922 2.932 -2.444 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.766 3.288 -1.467 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.640 2.763 -1.802 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.126 3.361 -0.247 1.00 0.00 N ATOM 657 CE2 TRP A 43 4.792 3.032 -0.457 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.394 2.395 -2.340 1.00 0.00 C ATOM 659 CZ2 TRP A 43 3.738 2.962 0.462 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.352 2.330 -1.408 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.488 2.597 -0.051 1.00 0.00 C ATOM 0 H TRP A 43 6.513 5.081 -4.818 1.00 0.00 H new ATOM 0 HA TRP A 43 8.259 3.131 -3.548 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.433 3.197 -4.518 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.220 1.673 -4.158 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.816 3.492 -1.616 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.553 3.611 0.645 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.252 2.180 -3.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.882 3.178 1.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.373 2.053 -1.769 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.633 2.523 0.605 1.00 0.00 H new ATOM 672 N PRO A 44 7.566 3.111 -6.800 1.00 0.00 N ATOM 673 CA PRO A 44 7.994 2.578 -8.082 1.00 0.00 C ATOM 674 C PRO A 44 9.358 3.143 -8.484 1.00 0.00 C ATOM 675 O PRO A 44 9.856 2.858 -9.572 1.00 0.00 O ATOM 676 CB PRO A 44 6.886 2.953 -9.053 1.00 0.00 C ATOM 677 CG PRO A 44 6.109 4.076 -8.386 1.00 0.00 C ATOM 678 CD PRO A 44 6.518 4.120 -6.922 1.00 0.00 C ATOM 0 HA PRO A 44 8.139 1.498 -8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.298 3.277 -10.009 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.240 2.099 -9.257 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.323 5.029 -8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.036 3.905 -8.478 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.885 5.108 -6.643 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.675 3.896 -6.268 1.00 0.00 H new ATOM 686 N THR A 45 9.923 3.934 -7.583 1.00 0.00 N ATOM 687 CA THR A 45 11.220 4.542 -7.830 1.00 0.00 C ATOM 688 C THR A 45 12.284 3.910 -6.931 1.00 0.00 C ATOM 689 O THR A 45 13.333 4.507 -6.691 1.00 0.00 O ATOM 690 CB THR A 45 11.079 6.053 -7.635 1.00 0.00 C ATOM 691 OG1 THR A 45 10.208 6.178 -6.514 1.00 0.00 O ATOM 692 CG2 THR A 45 10.313 6.722 -8.778 1.00 0.00 C ATOM 0 H THR A 45 9.507 4.168 -6.682 1.00 0.00 H new ATOM 0 HA THR A 45 11.553 4.362 -8.852 1.00 0.00 H new ATOM 0 HB THR A 45 12.069 6.502 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.520 5.594 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.241 7.793 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.840 6.553 -9.717 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.311 6.297 -8.842 1.00 0.00 H new ATOM 700 N PHE A 46 11.979 2.710 -6.459 1.00 0.00 N ATOM 701 CA PHE A 46 12.896 1.991 -5.592 1.00 0.00 C ATOM 702 C PHE A 46 13.782 1.040 -6.399 1.00 0.00 C ATOM 703 O PHE A 46 14.796 0.555 -5.899 1.00 0.00 O ATOM 704 CB PHE A 46 12.044 1.173 -4.619 1.00 0.00 C ATOM 705 CG PHE A 46 11.662 1.925 -3.343 1.00 0.00 C ATOM 706 CD1 PHE A 46 10.693 2.879 -3.380 1.00 0.00 C ATOM 707 CD2 PHE A 46 12.291 1.640 -2.171 1.00 0.00 C ATOM 708 CE1 PHE A 46 10.339 3.577 -2.195 1.00 0.00 C ATOM 709 CE2 PHE A 46 11.936 2.338 -0.987 1.00 0.00 C ATOM 710 CZ PHE A 46 10.968 3.292 -1.024 1.00 0.00 C ATOM 0 H PHE A 46 11.109 2.218 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 46 13.545 2.695 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.134 0.855 -5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.589 0.269 -4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.193 3.105 -4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.060 0.883 -2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.570 4.335 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.435 2.111 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.699 3.823 -0.123 1.00 0.00 H new ATOM 720 N ASP A 47 13.367 0.802 -7.635 1.00 0.00 N ATOM 721 CA ASP A 47 14.110 -0.082 -8.517 1.00 0.00 C ATOM 722 C ASP A 47 13.999 -1.519 -8.003 1.00 0.00 C ATOM 723 O ASP A 47 14.998 -2.123 -7.617 1.00 0.00 O ATOM 724 CB ASP A 47 15.592 0.294 -8.552 1.00 0.00 C ATOM 725 CG ASP A 47 15.878 1.777 -8.796 1.00 0.00 C ATOM 726 OD1 ASP A 47 14.994 2.590 -8.448 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.973 2.064 -9.326 1.00 0.00 O ATOM 0 H ASP A 47 12.526 1.206 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 47 13.691 0.010 -9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.048 0.003 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.081 -0.288 -9.333 1.00 0.00 H new ATOM 732 N VAL A 48 12.774 -2.025 -8.014 1.00 0.00 N ATOM 733 CA VAL A 48 12.519 -3.379 -7.554 1.00 0.00 C ATOM 734 C VAL A 48 11.540 -4.062 -8.510 1.00 0.00 C ATOM 735 O VAL A 48 11.873 -5.073 -9.128 1.00 0.00 O ATOM 736 CB VAL A 48 12.023 -3.355 -6.106 1.00 0.00 C ATOM 737 CG1 VAL A 48 13.171 -3.070 -5.137 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.892 -2.340 -5.931 1.00 0.00 C ATOM 0 H VAL A 48 11.947 -1.521 -8.335 1.00 0.00 H new ATOM 0 HA VAL A 48 13.439 -3.964 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 48 11.626 -4.343 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.791 -3.059 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.930 -3.847 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.612 -2.101 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.558 -2.343 -4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.252 -1.345 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.059 -2.608 -6.581 1.00 0.00 H new ATOM 748 N GLY A 49 10.352 -3.484 -8.603 1.00 0.00 N ATOM 749 CA GLY A 49 9.322 -4.024 -9.475 1.00 0.00 C ATOM 750 C GLY A 49 7.930 -3.586 -9.016 1.00 0.00 C ATOM 751 O GLY A 49 6.992 -4.382 -9.019 1.00 0.00 O ATOM 0 H GLY A 49 10.079 -2.646 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.494 -3.689 -10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.381 -5.112 -9.482 1.00 0.00 H new ATOM 755 N TRP A 50 7.839 -2.322 -8.631 1.00 0.00 N ATOM 756 CA TRP A 50 6.577 -1.768 -8.170 1.00 0.00 C ATOM 757 C TRP A 50 6.017 -0.879 -9.282 1.00 0.00 C ATOM 758 O TRP A 50 6.701 0.020 -9.767 1.00 0.00 O ATOM 759 CB TRP A 50 6.756 -1.026 -6.844 1.00 0.00 C ATOM 760 CG TRP A 50 5.496 -0.307 -6.359 1.00 0.00 C ATOM 761 CD1 TRP A 50 4.961 0.828 -6.830 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.629 -0.723 -5.283 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.817 1.173 -6.139 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.609 0.200 -5.168 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.703 -1.841 -4.435 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.587 0.099 -4.217 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.675 -1.928 -3.489 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.641 -1.008 -3.361 1.00 0.00 C ATOM 0 H TRP A 50 8.619 -1.665 -8.629 1.00 0.00 H new ATOM 0 HA TRP A 50 5.859 -2.562 -7.964 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.073 -1.737 -6.081 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.559 -0.297 -6.953 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.373 1.401 -7.648 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.232 1.991 -6.309 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.491 -2.576 -4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.800 0.835 -4.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.686 -2.769 -2.811 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.883 -1.146 -2.605 1.00 0.00 H new ATOM 779 N PRO A 51 4.744 -1.169 -9.663 1.00 0.00 N ATOM 780 CA PRO A 51 4.084 -0.407 -10.709 1.00 0.00 C ATOM 781 C PRO A 51 3.653 0.969 -10.195 1.00 0.00 C ATOM 782 O PRO A 51 3.612 1.200 -8.988 1.00 0.00 O ATOM 783 CB PRO A 51 2.912 -1.271 -11.146 1.00 0.00 C ATOM 784 CG PRO A 51 2.685 -2.266 -10.020 1.00 0.00 C ATOM 785 CD PRO A 51 3.903 -2.227 -9.111 1.00 0.00 C ATOM 0 HA PRO A 51 4.741 -0.194 -11.553 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.022 -0.665 -11.317 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.133 -1.784 -12.082 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.784 -2.012 -9.462 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.540 -3.269 -10.421 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.621 -2.012 -8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.424 -3.185 -9.106 1.00 0.00 H new ATOM 793 N PRO A 52 3.334 1.869 -11.163 1.00 0.00 N ATOM 794 CA PRO A 52 2.908 3.216 -10.822 1.00 0.00 C ATOM 795 C PRO A 52 1.471 3.220 -10.296 1.00 0.00 C ATOM 796 O PRO A 52 1.116 4.043 -9.454 1.00 0.00 O ATOM 797 CB PRO A 52 3.074 4.018 -12.102 1.00 0.00 C ATOM 798 CG PRO A 52 3.143 2.998 -13.227 1.00 0.00 C ATOM 799 CD PRO A 52 3.371 1.631 -12.603 1.00 0.00 C ATOM 0 HA PRO A 52 3.498 3.652 -10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.237 4.702 -12.246 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.979 4.624 -12.068 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.219 3.004 -13.805 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.952 3.243 -13.915 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.600 0.923 -12.907 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.328 1.210 -12.910 1.00 0.00 H new ATOM 807 N GLU A 53 0.683 2.290 -10.816 1.00 0.00 N ATOM 808 CA GLU A 53 -0.708 2.175 -10.410 1.00 0.00 C ATOM 809 C GLU A 53 -0.808 1.483 -9.049 1.00 0.00 C ATOM 810 O GLU A 53 -1.784 1.669 -8.324 1.00 0.00 O ATOM 811 CB GLU A 53 -1.528 1.432 -11.465 1.00 0.00 C ATOM 812 CG GLU A 53 -1.709 2.286 -12.722 1.00 0.00 C ATOM 813 CD GLU A 53 -0.736 1.857 -13.821 1.00 0.00 C ATOM 814 OE1 GLU A 53 -0.747 0.651 -14.151 1.00 0.00 O ATOM 815 OE2 GLU A 53 -0.002 2.745 -14.308 1.00 0.00 O ATOM 0 H GLU A 53 0.981 1.609 -11.515 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.123 3.179 -10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.031 0.497 -11.725 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.504 1.171 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.734 2.196 -13.083 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.548 3.336 -12.479 1.00 0.00 H new ATOM 822 N GLY A 54 0.215 0.698 -8.743 1.00 0.00 N ATOM 823 CA GLY A 54 0.254 -0.024 -7.483 1.00 0.00 C ATOM 824 C GLY A 54 0.021 -1.520 -7.700 1.00 0.00 C ATOM 825 O GLY A 54 -0.299 -1.948 -8.808 1.00 0.00 O ATOM 0 H GLY A 54 1.023 0.546 -9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.219 0.131 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.506 0.372 -6.809 1.00 0.00 H new ATOM 829 N THR A 55 0.192 -2.275 -6.625 1.00 0.00 N ATOM 830 CA THR A 55 0.004 -3.715 -6.684 1.00 0.00 C ATOM 831 C THR A 55 -0.268 -4.275 -5.287 1.00 0.00 C ATOM 832 O THR A 55 0.264 -3.772 -4.298 1.00 0.00 O ATOM 833 CB THR A 55 1.237 -4.325 -7.353 1.00 0.00 C ATOM 834 OG1 THR A 55 0.940 -5.717 -7.427 1.00 0.00 O ATOM 835 CG2 THR A 55 2.481 -4.256 -6.464 1.00 0.00 C ATOM 0 H THR A 55 0.459 -1.917 -5.708 1.00 0.00 H new ATOM 0 HA THR A 55 -0.870 -3.976 -7.280 1.00 0.00 H new ATOM 0 HB THR A 55 1.433 -3.807 -8.292 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.687 -6.189 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.327 -4.702 -6.987 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.706 -3.215 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.297 -4.802 -5.538 1.00 0.00 H new ATOM 843 N PHE A 56 -1.096 -5.309 -5.249 1.00 0.00 N ATOM 844 CA PHE A 56 -1.445 -5.943 -3.989 1.00 0.00 C ATOM 845 C PHE A 56 -0.660 -7.241 -3.793 1.00 0.00 C ATOM 846 O PHE A 56 -1.184 -8.210 -3.245 1.00 0.00 O ATOM 847 CB PHE A 56 -2.939 -6.268 -4.052 1.00 0.00 C ATOM 848 CG PHE A 56 -3.850 -5.059 -3.832 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.753 -4.334 -2.685 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.756 -4.708 -4.783 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.598 -3.211 -2.481 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.601 -3.585 -4.579 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.504 -2.861 -3.432 1.00 0.00 C ATOM 0 H PHE A 56 -1.535 -5.724 -6.071 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.208 -5.278 -3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.164 -6.707 -5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.168 -7.024 -3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.033 -4.612 -1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.833 -5.283 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.521 -2.635 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.320 -3.306 -5.335 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.147 -2.007 -3.277 1.00 0.00 H new ATOM 863 N ASP A 57 0.583 -7.218 -4.249 1.00 0.00 N ATOM 864 CA ASP A 57 1.446 -8.381 -4.130 1.00 0.00 C ATOM 865 C ASP A 57 2.422 -8.170 -2.972 1.00 0.00 C ATOM 866 O ASP A 57 3.396 -7.430 -3.103 1.00 0.00 O ATOM 867 CB ASP A 57 2.264 -8.593 -5.406 1.00 0.00 C ATOM 868 CG ASP A 57 2.916 -9.971 -5.534 1.00 0.00 C ATOM 869 OD1 ASP A 57 2.573 -10.841 -4.705 1.00 0.00 O ATOM 870 OD2 ASP A 57 3.743 -10.123 -6.459 1.00 0.00 O ATOM 0 H ASP A 57 1.014 -6.412 -4.702 1.00 0.00 H new ATOM 0 HA ASP A 57 0.815 -9.253 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.615 -8.434 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.044 -7.833 -5.450 1.00 0.00 H new ATOM 875 N LEU A 58 2.128 -8.834 -1.863 1.00 0.00 N ATOM 876 CA LEU A 58 2.968 -8.728 -0.682 1.00 0.00 C ATOM 877 C LEU A 58 4.436 -8.849 -1.094 1.00 0.00 C ATOM 878 O LEU A 58 5.314 -8.272 -0.453 1.00 0.00 O ATOM 879 CB LEU A 58 2.538 -9.749 0.373 1.00 0.00 C ATOM 880 CG LEU A 58 3.224 -9.634 1.736 1.00 0.00 C ATOM 881 CD1 LEU A 58 2.506 -8.618 2.627 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.343 -11.003 2.408 1.00 0.00 C ATOM 0 H LEU A 58 1.320 -9.447 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 58 2.848 -7.751 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.462 -9.658 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.722 -10.749 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 58 4.237 -9.265 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.014 -8.555 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.518 -7.640 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.474 -8.934 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.834 -10.892 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.348 -11.425 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.931 -11.668 1.776 1.00 0.00 H new ATOM 894 N THR A 59 4.659 -9.604 -2.160 1.00 0.00 N ATOM 895 CA THR A 59 6.006 -9.808 -2.664 1.00 0.00 C ATOM 896 C THR A 59 6.629 -8.473 -3.077 1.00 0.00 C ATOM 897 O THR A 59 7.752 -8.161 -2.686 1.00 0.00 O ATOM 898 CB THR A 59 5.935 -10.825 -3.805 1.00 0.00 C ATOM 899 OG1 THR A 59 5.484 -12.021 -3.177 1.00 0.00 O ATOM 900 CG2 THR A 59 7.316 -11.189 -4.352 1.00 0.00 C ATOM 0 H THR A 59 3.929 -10.082 -2.688 1.00 0.00 H new ATOM 0 HA THR A 59 6.661 -10.211 -1.891 1.00 0.00 H new ATOM 0 HB THR A 59 5.320 -10.424 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.408 -12.733 -3.846 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.208 -11.914 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.805 -10.292 -4.732 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.921 -11.621 -3.555 1.00 0.00 H new ATOM 908 N VAL A 60 5.872 -7.722 -3.863 1.00 0.00 N ATOM 909 CA VAL A 60 6.335 -6.428 -4.334 1.00 0.00 C ATOM 910 C VAL A 60 6.378 -5.448 -3.160 1.00 0.00 C ATOM 911 O VAL A 60 7.228 -4.560 -3.118 1.00 0.00 O ATOM 912 CB VAL A 60 5.452 -5.943 -5.485 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.895 -4.561 -5.972 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.445 -6.953 -6.635 1.00 0.00 C ATOM 0 H VAL A 60 4.941 -7.985 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 60 7.348 -6.506 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 60 4.432 -5.855 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.251 -4.240 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.824 -3.846 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.926 -4.611 -6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.810 -6.583 -7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.461 -7.088 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.060 -7.908 -6.278 1.00 0.00 H new ATOM 924 N ILE A 61 5.450 -5.643 -2.234 1.00 0.00 N ATOM 925 CA ILE A 61 5.372 -4.787 -1.062 1.00 0.00 C ATOM 926 C ILE A 61 6.634 -4.969 -0.217 1.00 0.00 C ATOM 927 O ILE A 61 7.309 -3.996 0.114 1.00 0.00 O ATOM 928 CB ILE A 61 4.075 -5.050 -0.293 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.864 -4.516 -1.062 1.00 0.00 C ATOM 930 CG2 ILE A 61 4.152 -4.478 1.124 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.609 -5.328 -0.740 1.00 0.00 C ATOM 0 H ILE A 61 4.746 -6.381 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 61 5.335 -3.739 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 61 3.947 -6.128 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.700 -3.469 -0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.062 -4.556 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.218 -4.679 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.977 -4.946 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.316 -3.402 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.763 -4.928 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.768 -6.370 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.400 -5.266 0.328 1.00 0.00 H new ATOM 943 N PHE A 62 6.916 -6.223 0.106 1.00 0.00 N ATOM 944 CA PHE A 62 8.086 -6.545 0.905 1.00 0.00 C ATOM 945 C PHE A 62 9.354 -5.958 0.282 1.00 0.00 C ATOM 946 O PHE A 62 10.329 -5.693 0.984 1.00 0.00 O ATOM 947 CB PHE A 62 8.204 -8.070 0.932 1.00 0.00 C ATOM 948 CG PHE A 62 7.849 -8.698 2.281 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.588 -8.581 2.775 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.796 -9.373 2.987 1.00 0.00 C ATOM 951 CE1 PHE A 62 6.258 -9.164 4.027 1.00 0.00 C ATOM 952 CE2 PHE A 62 8.467 -9.956 4.239 1.00 0.00 C ATOM 953 CZ PHE A 62 7.205 -9.839 4.733 1.00 0.00 C ATOM 0 H PHE A 62 6.354 -7.028 -0.171 1.00 0.00 H new ATOM 0 HA PHE A 62 7.979 -6.128 1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.552 -8.488 0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.224 -8.350 0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.837 -8.044 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.798 -9.465 2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.256 -9.072 4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.219 -10.492 4.799 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.955 -10.282 5.686 1.00 0.00 H new ATOM 963 N GLU A 63 9.300 -5.771 -1.028 1.00 0.00 N ATOM 964 CA GLU A 63 10.432 -5.221 -1.754 1.00 0.00 C ATOM 965 C GLU A 63 10.637 -3.751 -1.381 1.00 0.00 C ATOM 966 O GLU A 63 11.738 -3.349 -1.008 1.00 0.00 O ATOM 967 CB GLU A 63 10.247 -5.383 -3.264 1.00 0.00 C ATOM 968 CG GLU A 63 10.163 -6.861 -3.650 1.00 0.00 C ATOM 969 CD GLU A 63 11.519 -7.380 -4.134 1.00 0.00 C ATOM 970 OE1 GLU A 63 12.257 -6.567 -4.731 1.00 0.00 O ATOM 971 OE2 GLU A 63 11.786 -8.577 -3.895 1.00 0.00 O ATOM 0 H GLU A 63 8.489 -5.991 -1.606 1.00 0.00 H new ATOM 0 HA GLU A 63 11.326 -5.776 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.339 -4.869 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.079 -4.913 -3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.831 -7.446 -2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.418 -6.994 -4.434 1.00 0.00 H new ATOM 978 N VAL A 64 9.559 -2.989 -1.496 1.00 0.00 N ATOM 979 CA VAL A 64 9.607 -1.572 -1.176 1.00 0.00 C ATOM 980 C VAL A 64 9.746 -1.400 0.338 1.00 0.00 C ATOM 981 O VAL A 64 10.402 -0.469 0.802 1.00 0.00 O ATOM 982 CB VAL A 64 8.376 -0.865 -1.747 1.00 0.00 C ATOM 983 CG1 VAL A 64 8.169 0.498 -1.083 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.480 -0.725 -3.267 1.00 0.00 C ATOM 0 H VAL A 64 8.648 -3.326 -1.806 1.00 0.00 H new ATOM 0 HA VAL A 64 10.477 -1.105 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 64 7.504 -1.480 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.288 0.979 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.028 0.363 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.044 1.124 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.592 -0.219 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.366 -0.142 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.556 -1.714 -3.719 1.00 0.00 H new ATOM 994 N LYS A 65 9.119 -2.313 1.066 1.00 0.00 N ATOM 995 CA LYS A 65 9.166 -2.274 2.517 1.00 0.00 C ATOM 996 C LYS A 65 10.600 -2.531 2.985 1.00 0.00 C ATOM 997 O LYS A 65 11.085 -1.871 3.903 1.00 0.00 O ATOM 998 CB LYS A 65 8.142 -3.243 3.112 1.00 0.00 C ATOM 999 CG LYS A 65 8.602 -3.755 4.479 1.00 0.00 C ATOM 1000 CD LYS A 65 7.532 -4.640 5.122 1.00 0.00 C ATOM 1001 CE LYS A 65 6.333 -3.806 5.579 1.00 0.00 C ATOM 1002 NZ LYS A 65 5.083 -4.590 5.465 1.00 0.00 N ATOM 0 H LYS A 65 8.576 -3.084 0.677 1.00 0.00 H new ATOM 0 HA LYS A 65 8.885 -1.286 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.178 -2.743 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.996 -4.084 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.527 -4.320 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.821 -2.911 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.203 -5.396 4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.957 -5.170 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.476 -3.487 6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.259 -2.902 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.363 -4.026 4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.268 -5.462 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.739 -4.834 6.415 1.00 0.00 H new ATOM 1016 N ALA A 66 11.238 -3.490 2.331 1.00 0.00 N ATOM 1017 CA ALA A 66 12.607 -3.842 2.669 1.00 0.00 C ATOM 1018 C ALA A 66 13.471 -2.579 2.660 1.00 0.00 C ATOM 1019 O ALA A 66 14.188 -2.307 3.622 1.00 0.00 O ATOM 1020 CB ALA A 66 13.117 -4.904 1.692 1.00 0.00 C ATOM 0 H ALA A 66 10.833 -4.034 1.569 1.00 0.00 H new ATOM 0 HA ALA A 66 12.657 -4.269 3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.144 -5.168 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.487 -5.791 1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.084 -4.510 0.676 1.00 0.00 H new ATOM 1026 N ILE A 67 13.374 -1.842 1.564 1.00 0.00 N ATOM 1027 CA ILE A 67 14.137 -0.614 1.417 1.00 0.00 C ATOM 1028 C ILE A 67 13.587 0.441 2.379 1.00 0.00 C ATOM 1029 O ILE A 67 14.347 1.082 3.103 1.00 0.00 O ATOM 1030 CB ILE A 67 14.154 -0.165 -0.045 1.00 0.00 C ATOM 1031 CG1 ILE A 67 14.785 -1.234 -0.940 1.00 0.00 C ATOM 1032 CG2 ILE A 67 14.848 1.191 -0.194 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.843 -1.617 -2.083 1.00 0.00 C ATOM 0 H ILE A 67 12.778 -2.071 0.769 1.00 0.00 H new ATOM 0 HA ILE A 67 15.180 -0.779 1.687 1.00 0.00 H new ATOM 0 HB ILE A 67 13.123 -0.037 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.726 -0.863 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.021 -2.117 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.847 1.487 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 67 14.316 1.938 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.876 1.114 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.315 -2.378 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.913 -2.010 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.629 -0.736 -2.688 1.00 0.00 H new ATOM 1045 N VAL A 68 12.270 0.588 2.355 1.00 0.00 N ATOM 1046 CA VAL A 68 11.610 1.555 3.215 1.00 0.00 C ATOM 1047 C VAL A 68 12.055 1.331 4.662 1.00 0.00 C ATOM 1048 O VAL A 68 12.360 2.286 5.375 1.00 0.00 O ATOM 1049 CB VAL A 68 10.093 1.464 3.036 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.363 2.214 4.152 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.671 1.983 1.660 1.00 0.00 C ATOM 0 H VAL A 68 11.643 0.054 1.754 1.00 0.00 H new ATOM 0 HA VAL A 68 11.897 2.570 2.940 1.00 0.00 H new ATOM 0 HB VAL A 68 9.811 0.413 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.287 2.133 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.628 1.779 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.654 3.264 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.588 1.907 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.973 3.025 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.151 1.387 0.884 1.00 0.00 H new ATOM 1061 N PHE A 69 12.078 0.065 5.052 1.00 0.00 N ATOM 1062 CA PHE A 69 12.481 -0.295 6.400 1.00 0.00 C ATOM 1063 C PHE A 69 13.973 -0.631 6.455 1.00 0.00 C ATOM 1064 O PHE A 69 14.384 -1.529 7.189 1.00 0.00 O ATOM 1065 CB PHE A 69 11.676 -1.536 6.791 1.00 0.00 C ATOM 1066 CG PHE A 69 10.223 -1.242 7.167 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.320 -0.930 6.199 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.834 -1.294 8.469 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.971 -0.657 6.549 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.485 -1.020 8.819 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.582 -0.708 7.851 1.00 0.00 C ATOM 0 H PHE A 69 11.824 -0.724 4.458 1.00 0.00 H new ATOM 0 HA PHE A 69 12.299 0.539 7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.690 -2.242 5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.167 -2.024 7.633 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.629 -0.890 5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.551 -1.544 9.237 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.254 -0.409 5.781 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.176 -1.059 9.853 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.556 -0.501 8.116 1.00 0.00 H new ATOM 1081 N GLN A 70 14.743 0.107 5.670 1.00 0.00 N ATOM 1082 CA GLN A 70 16.180 -0.101 5.620 1.00 0.00 C ATOM 1083 C GLN A 70 16.859 0.595 6.801 1.00 0.00 C ATOM 1084 O GLN A 70 16.190 1.025 7.740 1.00 0.00 O ATOM 1085 CB GLN A 70 16.759 0.386 4.290 1.00 0.00 C ATOM 1086 CG GLN A 70 16.764 1.915 4.222 1.00 0.00 C ATOM 1087 CD GLN A 70 17.424 2.404 2.931 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.509 2.962 2.931 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.711 2.164 1.834 1.00 0.00 N ATOM 0 H GLN A 70 14.399 0.851 5.063 1.00 0.00 H new ATOM 0 HA GLN A 70 16.375 -1.171 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.775 0.010 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 70 16.172 -0.017 3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.741 2.288 4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.297 2.319 5.083 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.809 1.692 1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.066 2.452 0.922 1.00 0.00 H new ATOM 1149 N HIS A 76 12.176 4.869 5.304 1.00 0.00 N ATOM 1150 CA HIS A 76 11.033 5.756 5.168 1.00 0.00 C ATOM 1151 C HIS A 76 10.074 5.539 6.341 1.00 0.00 C ATOM 1152 O HIS A 76 9.221 4.654 6.295 1.00 0.00 O ATOM 1153 CB HIS A 76 10.358 5.568 3.808 1.00 0.00 C ATOM 1154 CG HIS A 76 11.242 5.905 2.632 1.00 0.00 C ATOM 1155 ND1 HIS A 76 11.650 7.196 2.347 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.792 5.106 1.672 1.00 0.00 C ATOM 1157 CE1 HIS A 76 12.410 7.165 1.262 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.497 5.869 0.845 1.00 0.00 N ATOM 0 HA HIS A 76 11.366 6.793 5.202 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.029 4.533 3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.465 6.191 3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.674 4.035 1.598 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.878 8.016 0.791 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.018 5.540 0.032 1.00 0.00 H new ATOM 1166 N PRO A 77 10.252 6.384 7.392 1.00 0.00 N ATOM 1167 CA PRO A 77 9.413 6.294 8.575 1.00 0.00 C ATOM 1168 C PRO A 77 8.020 6.867 8.304 1.00 0.00 C ATOM 1169 O PRO A 77 7.094 6.651 9.084 1.00 0.00 O ATOM 1170 CB PRO A 77 10.169 7.054 9.652 1.00 0.00 C ATOM 1171 CG PRO A 77 11.170 7.932 8.918 1.00 0.00 C ATOM 1172 CD PRO A 77 11.252 7.444 7.481 1.00 0.00 C ATOM 0 HA PRO A 77 9.232 5.265 8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.490 7.656 10.255 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.675 6.368 10.331 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.857 8.976 8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.148 7.878 9.396 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.040 8.249 6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.248 7.069 7.246 1.00 0.00 H new ATOM 1180 N ASP A 78 7.917 7.588 7.197 1.00 0.00 N ATOM 1181 CA ASP A 78 6.653 8.194 6.814 1.00 0.00 C ATOM 1182 C ASP A 78 5.852 7.202 5.969 1.00 0.00 C ATOM 1183 O ASP A 78 4.634 7.105 6.106 1.00 0.00 O ATOM 1184 CB ASP A 78 6.878 9.455 5.977 1.00 0.00 C ATOM 1185 CG ASP A 78 8.045 9.376 4.991 1.00 0.00 C ATOM 1186 OD1 ASP A 78 9.181 9.176 5.471 1.00 0.00 O ATOM 1187 OD2 ASP A 78 7.774 9.519 3.779 1.00 0.00 O ATOM 0 H ASP A 78 8.688 7.766 6.553 1.00 0.00 H new ATOM 0 HA ASP A 78 6.115 8.457 7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.966 9.671 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.047 10.295 6.651 1.00 0.00 H new ATOM 1192 N GLN A 79 6.569 6.489 5.112 1.00 0.00 N ATOM 1193 CA GLN A 79 5.941 5.508 4.245 1.00 0.00 C ATOM 1194 C GLN A 79 5.863 4.150 4.947 1.00 0.00 C ATOM 1195 O GLN A 79 5.103 3.276 4.534 1.00 0.00 O ATOM 1196 CB GLN A 79 6.687 5.394 2.914 1.00 0.00 C ATOM 1197 CG GLN A 79 6.925 6.775 2.300 1.00 0.00 C ATOM 1198 CD GLN A 79 8.189 6.781 1.437 1.00 0.00 C ATOM 1199 OE1 GLN A 79 9.218 7.327 1.802 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.055 6.146 0.277 1.00 0.00 N ATOM 0 H GLN A 79 7.579 6.572 5.000 1.00 0.00 H new ATOM 0 HA GLN A 79 4.926 5.842 4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.642 4.892 3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.112 4.778 2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.065 7.061 1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.018 7.518 3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.165 5.711 0.034 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.842 6.094 -0.370 1.00 0.00 H new ATOM 1209 N GLN A 80 6.660 4.017 5.996 1.00 0.00 N ATOM 1210 CA GLN A 80 6.691 2.781 6.760 1.00 0.00 C ATOM 1211 C GLN A 80 5.269 2.330 7.099 1.00 0.00 C ATOM 1212 O GLN A 80 4.916 1.170 6.894 1.00 0.00 O ATOM 1213 CB GLN A 80 7.533 2.940 8.028 1.00 0.00 C ATOM 1214 CG GLN A 80 8.931 2.350 7.836 1.00 0.00 C ATOM 1215 CD GLN A 80 9.927 2.968 8.820 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.627 3.209 9.977 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.125 3.210 8.296 1.00 0.00 N ATOM 0 H GLN A 80 7.289 4.744 6.335 1.00 0.00 H new ATOM 0 HA GLN A 80 7.159 2.011 6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.613 3.996 8.286 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.037 2.445 8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.896 1.270 7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.267 2.526 6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.309 2.984 7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.860 3.622 8.871 1.00 0.00 H new ATOM 1226 N PRO A 81 4.470 3.297 7.625 1.00 0.00 N ATOM 1227 CA PRO A 81 3.094 3.012 7.994 1.00 0.00 C ATOM 1228 C PRO A 81 2.205 2.903 6.754 1.00 0.00 C ATOM 1229 O PRO A 81 1.154 2.265 6.793 1.00 0.00 O ATOM 1230 CB PRO A 81 2.690 4.150 8.917 1.00 0.00 C ATOM 1231 CG PRO A 81 3.689 5.267 8.662 1.00 0.00 C ATOM 1232 CD PRO A 81 4.854 4.682 7.881 1.00 0.00 C ATOM 0 HA PRO A 81 2.984 2.051 8.497 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.673 4.480 8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.714 3.835 9.960 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.222 6.076 8.101 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.036 5.691 9.604 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.020 5.225 6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.781 4.737 8.452 1.00 0.00 H new ATOM 1240 N TYR A 82 2.659 3.536 5.682 1.00 0.00 N ATOM 1241 CA TYR A 82 1.918 3.518 4.433 1.00 0.00 C ATOM 1242 C TYR A 82 2.092 2.181 3.710 1.00 0.00 C ATOM 1243 O TYR A 82 1.112 1.562 3.297 1.00 0.00 O ATOM 1244 CB TYR A 82 2.517 4.631 3.571 1.00 0.00 C ATOM 1245 CG TYR A 82 2.097 6.040 3.994 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.317 6.467 5.288 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.497 6.884 3.082 1.00 0.00 C ATOM 1248 CE1 TYR A 82 1.922 7.793 5.686 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.101 8.211 3.480 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.333 8.600 4.762 1.00 0.00 C ATOM 1251 OH TYR A 82 0.959 9.852 5.138 1.00 0.00 O ATOM 0 H TYR A 82 3.531 4.065 5.653 1.00 0.00 H new ATOM 0 HA TYR A 82 0.853 3.659 4.618 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.604 4.560 3.609 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.223 4.471 2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.786 5.806 6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.324 6.550 2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.089 8.139 6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.631 8.881 2.776 1.00 0.00 H new ATOM 0 HH TYR A 82 1.699 10.475 4.982 1.00 0.00 H new ATOM 1261 N ILE A 83 3.346 1.774 3.580 1.00 0.00 N ATOM 1262 CA ILE A 83 3.661 0.521 2.915 1.00 0.00 C ATOM 1263 C ILE A 83 3.146 -0.644 3.762 1.00 0.00 C ATOM 1264 O ILE A 83 2.714 -1.663 3.224 1.00 0.00 O ATOM 1265 CB ILE A 83 5.157 0.441 2.604 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.452 -0.686 1.612 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.978 0.303 3.888 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.753 -0.434 0.274 1.00 0.00 C ATOM 0 H ILE A 83 4.156 2.290 3.924 1.00 0.00 H new ATOM 0 HA ILE A 83 3.155 0.463 1.951 1.00 0.00 H new ATOM 0 HB ILE A 83 5.457 1.375 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.528 -0.765 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.119 -1.637 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.038 0.248 3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.800 1.167 4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.682 -0.605 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.979 -1.249 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.676 -0.379 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.106 0.506 -0.150 1.00 0.00 H new ATOM 1280 N THR A 84 3.209 -0.456 5.072 1.00 0.00 N ATOM 1281 CA THR A 84 2.755 -1.479 5.998 1.00 0.00 C ATOM 1282 C THR A 84 1.283 -1.813 5.744 1.00 0.00 C ATOM 1283 O THR A 84 0.907 -2.983 5.699 1.00 0.00 O ATOM 1284 CB THR A 84 3.029 -0.986 7.420 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.424 -1.213 7.603 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.365 -1.863 8.482 1.00 0.00 C ATOM 0 H THR A 84 3.568 0.390 5.514 1.00 0.00 H new ATOM 0 HA THR A 84 3.298 -2.413 5.852 1.00 0.00 H new ATOM 0 HB THR A 84 2.674 0.039 7.524 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.933 -0.554 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.591 -1.469 9.473 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.286 -1.864 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.744 -2.882 8.402 1.00 0.00 H new ATOM 1294 N VAL A 85 0.491 -0.763 5.583 1.00 0.00 N ATOM 1295 CA VAL A 85 -0.931 -0.929 5.335 1.00 0.00 C ATOM 1296 C VAL A 85 -1.129 -1.836 4.118 1.00 0.00 C ATOM 1297 O VAL A 85 -1.922 -2.775 4.162 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.598 0.438 5.176 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.023 0.294 4.637 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.587 1.211 6.496 1.00 0.00 C ATOM 0 H VAL A 85 0.807 0.206 5.619 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.413 -1.414 6.184 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.021 1.009 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.474 1.281 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.996 -0.197 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.615 -0.305 5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.067 2.179 6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.128 0.645 7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.558 1.361 6.821 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.394 -1.523 3.061 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.479 -2.298 1.835 1.00 0.00 C ATOM 1312 C TRP A 86 -0.280 -3.772 2.193 1.00 0.00 C ATOM 1313 O TRP A 86 -1.045 -4.630 1.755 1.00 0.00 O ATOM 1314 CB TRP A 86 0.525 -1.794 0.797 1.00 0.00 C ATOM 1315 CG TRP A 86 0.038 -0.585 -0.005 1.00 0.00 C ATOM 1316 CD1 TRP A 86 -0.040 0.692 0.394 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.438 -0.592 -1.367 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.530 1.505 -0.608 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.780 0.699 -1.712 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.576 -1.655 -2.277 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.281 1.049 -2.972 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.078 -1.289 -3.532 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.427 0.006 -3.895 1.00 0.00 C ATOM 0 H TRP A 86 0.263 -0.743 3.028 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.459 -2.181 1.372 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.454 -1.531 1.303 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.757 -2.605 0.107 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.245 1.041 1.376 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.681 2.512 -0.549 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.315 -2.673 -2.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.541 2.068 -3.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.203 -2.068 -4.270 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.809 0.207 -4.885 1.00 0.00 H new ATOM 1334 N GLN A 87 0.752 -4.022 2.985 1.00 0.00 N ATOM 1335 CA GLN A 87 1.062 -5.377 3.406 1.00 0.00 C ATOM 1336 C GLN A 87 -0.142 -6.001 4.115 1.00 0.00 C ATOM 1337 O GLN A 87 -0.406 -7.193 3.965 1.00 0.00 O ATOM 1338 CB GLN A 87 2.300 -5.403 4.305 1.00 0.00 C ATOM 1339 CG GLN A 87 2.401 -6.729 5.062 1.00 0.00 C ATOM 1340 CD GLN A 87 2.014 -6.552 6.532 1.00 0.00 C ATOM 1341 OE1 GLN A 87 1.766 -5.456 7.007 1.00 0.00 O ATOM 1342 NE2 GLN A 87 1.977 -7.688 7.222 1.00 0.00 N ATOM 0 H GLN A 87 1.385 -3.308 3.346 1.00 0.00 H new ATOM 0 HA GLN A 87 1.285 -5.970 2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.195 -5.256 3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.255 -4.577 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.749 -7.468 4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.418 -7.114 4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.196 -8.572 6.762 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.729 -7.676 8.211 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.841 -5.167 4.871 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.011 -5.622 5.603 1.00 0.00 C ATOM 1353 C ASP A 88 -3.175 -5.811 4.628 1.00 0.00 C ATOM 1354 O ASP A 88 -4.000 -6.706 4.807 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.437 -4.595 6.654 1.00 0.00 C ATOM 1356 CG ASP A 88 -2.921 -5.188 7.978 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -2.058 -5.392 8.859 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -4.145 -5.425 8.080 1.00 0.00 O ATOM 0 H ASP A 88 -0.620 -4.179 4.992 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.756 -6.559 6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.595 -3.933 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.233 -3.979 6.236 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.204 -4.954 3.618 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.254 -5.016 2.614 1.00 0.00 C ATOM 1365 C LEU A 89 -4.184 -6.363 1.892 1.00 0.00 C ATOM 1366 O LEU A 89 -5.173 -7.092 1.835 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.170 -3.810 1.677 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.907 -2.550 2.136 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.328 -1.302 1.467 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.413 -2.680 1.902 1.00 0.00 C ATOM 0 H LEU A 89 -2.518 -4.213 3.473 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.236 -4.957 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.119 -3.560 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.564 -4.103 0.704 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.757 -2.438 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.870 -0.421 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.274 -1.205 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.427 -1.390 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.913 -1.771 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.605 -2.829 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.796 -3.533 2.463 1.00 0.00 H new ATOM 1382 N VAL A 90 -3.007 -6.652 1.358 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.796 -7.898 0.642 1.00 0.00 C ATOM 1384 C VAL A 90 -3.154 -9.073 1.554 1.00 0.00 C ATOM 1385 O VAL A 90 -3.780 -10.036 1.115 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.359 -7.964 0.119 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -1.108 -6.882 -0.933 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.352 -7.857 1.266 1.00 0.00 C ATOM 0 H VAL A 90 -2.189 -6.044 1.407 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.448 -7.952 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.221 -8.934 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.080 -6.951 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.791 -7.023 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.274 -5.899 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.661 -7.907 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.491 -6.909 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.507 -8.679 1.964 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.742 -8.954 2.808 1.00 0.00 N ATOM 1399 CA GLN A 91 -3.012 -9.994 3.786 1.00 0.00 C ATOM 1400 C GLN A 91 -4.520 -10.215 3.924 1.00 0.00 C ATOM 1401 O GLN A 91 -5.011 -11.322 3.709 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.382 -9.653 5.138 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.907 -10.058 5.173 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.736 -11.449 5.788 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.669 -12.054 6.289 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.506 -11.920 5.722 1.00 0.00 N ATOM 0 H GLN A 91 -2.223 -8.153 3.169 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.559 -10.921 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.474 -8.583 5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.922 -10.165 5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.500 -10.051 4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.339 -9.329 5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.241 -11.361 5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.724 -12.840 6.105 1.00 0.00 H new ATOM 1415 N ASN A 92 -5.212 -9.143 4.281 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.654 -9.205 4.450 1.00 0.00 C ATOM 1417 C ASN A 92 -7.335 -8.697 3.178 1.00 0.00 C ATOM 1418 O ASN A 92 -8.208 -7.833 3.239 1.00 0.00 O ATOM 1419 CB ASN A 92 -7.111 -8.325 5.615 1.00 0.00 C ATOM 1420 CG ASN A 92 -7.058 -9.093 6.937 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.828 -10.006 7.186 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -6.108 -8.675 7.768 1.00 0.00 N ATOM 0 H ASN A 92 -4.801 -8.226 4.458 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.925 -10.241 4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.476 -7.441 5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.127 -7.975 5.434 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.991 -9.125 8.676 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.497 -7.905 7.497 1.00 0.00 H new ATOM 1429 N SER A 93 -6.909 -9.255 2.054 1.00 0.00 N ATOM 1430 CA SER A 93 -7.467 -8.869 0.769 1.00 0.00 C ATOM 1431 C SER A 93 -8.983 -8.698 0.886 1.00 0.00 C ATOM 1432 O SER A 93 -9.712 -9.679 1.027 1.00 0.00 O ATOM 1433 CB SER A 93 -7.130 -9.900 -0.310 1.00 0.00 C ATOM 1434 OG SER A 93 -7.585 -11.205 0.039 1.00 0.00 O ATOM 0 H SER A 93 -6.184 -9.971 2.007 1.00 0.00 H new ATOM 0 HA SER A 93 -7.023 -7.918 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.583 -9.598 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.052 -9.922 -0.467 1.00 0.00 H new ATOM 0 HG SER A 93 -8.376 -11.133 0.614 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.424 -7.413 0.821 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.840 -7.102 0.918 1.00 0.00 C ATOM 1442 C PRO A 94 -11.569 -7.454 -0.380 1.00 0.00 C ATOM 1443 O PRO A 94 -10.935 -7.740 -1.394 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.895 -5.619 1.247 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.535 -5.057 0.865 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.589 -6.227 0.654 1.00 0.00 C ATOM 0 HA PRO A 94 -11.347 -7.686 1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.692 -5.125 0.691 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.100 -5.461 2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.611 -4.459 -0.043 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.160 -4.400 1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.137 -6.197 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.773 -6.212 1.377 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.926 -7.422 -0.303 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.749 -7.735 -1.460 1.00 0.00 C ATOM 1456 C PRO A 95 -13.743 -6.580 -2.464 1.00 0.00 C ATOM 1457 O PRO A 95 -14.001 -6.783 -3.649 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.130 -8.024 -0.894 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.146 -7.413 0.498 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.711 -7.089 0.882 1.00 0.00 C ATOM 0 HA PRO A 95 -13.377 -8.592 -2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.908 -7.588 -1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.318 -9.097 -0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.758 -6.511 0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.585 -8.107 1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.600 -6.038 1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.391 -7.672 1.746 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.447 -5.395 -1.953 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.405 -4.208 -2.790 1.00 0.00 C ATOM 1470 C TRP A 96 -12.060 -4.191 -3.519 1.00 0.00 C ATOM 1471 O TRP A 96 -11.820 -3.334 -4.368 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.653 -2.945 -1.964 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.633 -2.723 -0.844 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.736 -3.071 0.446 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.344 -2.086 -0.969 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.612 -2.706 1.159 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.739 -2.088 0.271 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.711 -1.527 -2.093 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.470 -1.544 0.506 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.444 -0.987 -1.841 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.820 -0.981 -0.599 1.00 0.00 C ATOM 0 H TRP A 96 -13.234 -5.231 -0.969 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.203 -4.231 -3.532 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.642 -2.081 -2.628 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.650 -2.999 -1.528 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.591 -3.574 0.874 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.451 -2.861 2.154 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -11.166 -1.515 -3.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.017 -1.558 1.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.914 -0.544 -2.671 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.839 -0.544 -0.487 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.217 -5.149 -3.161 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.902 -5.255 -3.770 1.00 0.00 C ATOM 1494 C ILE A 97 -9.864 -6.483 -4.681 1.00 0.00 C ATOM 1495 O ILE A 97 -9.649 -6.361 -5.886 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.812 -5.252 -2.696 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.560 -3.836 -2.175 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.531 -5.909 -3.214 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.433 -3.825 -1.140 1.00 0.00 C ATOM 0 H ILE A 97 -11.419 -5.859 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.702 -4.386 -4.397 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.161 -5.848 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.302 -3.180 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.473 -3.441 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.772 -5.894 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.740 -6.941 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.167 -5.361 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.274 -2.806 -0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.705 -4.463 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.516 -4.197 -1.597 1.00 0.00 H new