USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 873 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 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.527 K(o=-0.53,f=-1.4) USER MOD Single : A 9 HIS :FLIP no HE2:sc= -4.47! F(o=-5.2,f=-4.5!) USER MOD Single : A 10 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.9!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -1 K(o=-1,f=-5.1!) USER MOD Single : A 20 SER OG : rot 160:sc= -1.2 USER MOD Single : A 32 HIS : no HD1:sc= -0.524 X(o=-0.52,f=-0.84) USER MOD Single : A 37 THR OG1 : rot 159:sc= 1.23 USER MOD Single : A 38 CYS SG : rot -129:sc= 0.937 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 137:sc= -3.99! (180deg=-5.73!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.236) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -19:sc= 0.649 USER MOD Single : A 79 CYS SG : rot -71:sc= -0.979 USER MOD Single : A 80 THR OG1 : rot -90:sc= -1.41 USER MOD Single : A 82 MET CE :methyl -114:sc=-0.00176 (180deg=-0.319) USER MOD Single : A 87 ASN : amide:sc= -0.901 X(o=-0.9,f=-0.87) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -0.234 K(o=-0.23,f=-1.1) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.02 X(o=-1,f=-0.62) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 178:sc= -0.515 (180deg=-0.604) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 112 MET CE :methyl -145:sc= -4.19! (180deg=-6.08!) USER MOD Single : A 118 THR OG1 : rot -100:sc= -0.658 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N MET A 4 -8.553 8.827 -10.272 1.00 0.00 N ATOM 36 CA MET A 4 -7.095 8.847 -10.260 1.00 0.00 C ATOM 37 C MET A 4 -6.556 8.296 -8.943 1.00 0.00 C ATOM 38 O MET A 4 -7.318 7.847 -8.087 1.00 0.00 O ATOM 39 CB MET A 4 -6.583 10.272 -10.478 1.00 0.00 C ATOM 40 CG MET A 4 -6.381 10.626 -11.943 1.00 0.00 C ATOM 41 SD MET A 4 -4.673 10.413 -12.481 1.00 0.00 S ATOM 42 CE MET A 4 -4.081 12.102 -12.406 1.00 0.00 C ATOM 0 HA MET A 4 -6.739 8.213 -11.072 1.00 0.00 H new ATOM 0 HB2 MET A 4 -7.289 10.975 -10.037 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.638 10.395 -9.949 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.031 10.002 -12.556 1.00 0.00 H new ATOM 0 HG3 MET A 4 -6.683 11.660 -12.108 1.00 0.00 H new ATOM 0 HE1 MET A 4 -3.035 12.135 -12.711 1.00 0.00 H new ATOM 0 HE2 MET A 4 -4.674 12.725 -13.075 1.00 0.00 H new ATOM 0 HE3 MET A 4 -4.173 12.475 -11.386 1.00 0.00 H new ATOM 52 N LEU A 5 -5.235 8.332 -8.789 1.00 0.00 N ATOM 53 CA LEU A 5 -4.586 7.835 -7.583 1.00 0.00 C ATOM 54 C LEU A 5 -5.238 8.412 -6.326 1.00 0.00 C ATOM 55 O LEU A 5 -5.052 9.586 -6.005 1.00 0.00 O ATOM 56 CB LEU A 5 -3.097 8.186 -7.602 1.00 0.00 C ATOM 57 CG LEU A 5 -2.777 9.634 -7.981 1.00 0.00 C ATOM 58 CD1 LEU A 5 -2.561 10.479 -6.734 1.00 0.00 C ATOM 59 CD2 LEU A 5 -1.552 9.691 -8.884 1.00 0.00 C ATOM 0 H LEU A 5 -4.592 8.702 -9.489 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.702 6.751 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.679 7.984 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.592 7.523 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.627 10.041 -8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.335 11.505 -7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.464 10.465 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.729 10.073 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.339 10.728 -9.143 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.695 9.264 -8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.744 9.121 -9.793 1.00 0.00 H new ATOM 71 N PRO A 6 -6.016 7.593 -5.592 1.00 0.00 N ATOM 72 CA PRO A 6 -6.691 8.037 -4.369 1.00 0.00 C ATOM 73 C PRO A 6 -5.723 8.226 -3.206 1.00 0.00 C ATOM 74 O PRO A 6 -5.011 7.299 -2.820 1.00 0.00 O ATOM 75 CB PRO A 6 -7.666 6.896 -4.071 1.00 0.00 C ATOM 76 CG PRO A 6 -7.029 5.692 -4.673 1.00 0.00 C ATOM 77 CD PRO A 6 -6.297 6.176 -5.896 1.00 0.00 C ATOM 0 HA PRO A 6 -7.171 9.007 -4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.815 6.771 -2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.646 7.087 -4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.343 5.221 -3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.778 4.945 -4.937 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.379 5.612 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.904 6.071 -6.795 1.00 0.00 H new ATOM 85 N HIS A 7 -5.701 9.433 -2.652 1.00 0.00 N ATOM 86 CA HIS A 7 -4.821 9.745 -1.531 1.00 0.00 C ATOM 87 C HIS A 7 -5.623 9.940 -0.248 1.00 0.00 C ATOM 88 O HIS A 7 -6.846 10.076 -0.284 1.00 0.00 O ATOM 89 CB HIS A 7 -4.004 11.003 -1.832 1.00 0.00 C ATOM 90 CG HIS A 7 -4.844 12.192 -2.180 1.00 0.00 C ATOM 91 ND1 HIS A 7 -5.718 12.782 -1.292 1.00 0.00 N ATOM 92 CD2 HIS A 7 -4.939 12.904 -3.328 1.00 0.00 C ATOM 93 CE1 HIS A 7 -6.316 13.805 -1.878 1.00 0.00 C ATOM 94 NE2 HIS A 7 -5.860 13.900 -3.114 1.00 0.00 N ATOM 0 H HIS A 7 -6.283 10.212 -2.961 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.142 8.904 -1.389 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.390 11.244 -0.964 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.323 10.795 -2.657 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.392 12.722 -4.242 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.052 14.452 -1.424 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.146 14.600 -3.799 1.00 0.00 H new ATOM 103 N LEU A 8 -4.927 9.955 0.884 1.00 0.00 N ATOM 104 CA LEU A 8 -5.575 10.134 2.178 1.00 0.00 C ATOM 105 C LEU A 8 -5.875 11.606 2.435 1.00 0.00 C ATOM 106 O LEU A 8 -7.007 12.060 2.268 1.00 0.00 O ATOM 107 CB LEU A 8 -4.696 9.573 3.299 1.00 0.00 C ATOM 108 CG LEU A 8 -4.777 8.057 3.497 1.00 0.00 C ATOM 109 CD1 LEU A 8 -6.224 7.608 3.623 1.00 0.00 C ATOM 110 CD2 LEU A 8 -4.090 7.332 2.348 1.00 0.00 C ATOM 0 H LEU A 8 -3.914 9.845 0.931 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.518 9.587 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.660 9.841 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.973 10.060 4.234 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.260 7.804 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.259 6.528 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.684 8.100 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.768 7.874 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.157 6.255 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.579 7.593 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.042 7.628 2.306 1.00 0.00 H new ATOM 122 N HIS A 9 -4.852 12.344 2.842 1.00 0.00 N ATOM 123 CA HIS A 9 -4.996 13.768 3.125 1.00 0.00 C ATOM 124 C HIS A 9 -6.029 14.010 4.222 1.00 0.00 C ATOM 125 O HIS A 9 -6.615 15.089 4.308 1.00 0.00 O ATOM 126 CB HIS A 9 -5.398 14.522 1.856 1.00 0.00 C ATOM 127 CG HIS A 9 -5.405 16.010 2.020 1.00 0.00 C ATOM 128 ND1 HIS A 9 -5.894 16.988 1.222 1.00 0.00 N flip ATOM 129 CD2 HIS A 9 -4.861 16.649 3.114 1.00 0.00 C flip ATOM 130 CE1 HIS A 9 -5.638 18.186 1.841 1.00 0.00 C flip ATOM 131 NE2 HIS A 9 -5.014 17.954 2.982 1.00 0.00 N flip ATOM 0 H HIS A 9 -3.910 11.980 2.984 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.033 14.140 3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.711 14.257 1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.391 14.194 1.548 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -6.365 16.859 0.327 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.384 16.158 3.949 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.904 19.160 1.458 1.00 0.00 H new ATOM 140 N ASN A 10 -6.250 13.000 5.060 1.00 0.00 N ATOM 141 CA ASN A 10 -7.213 13.110 6.152 1.00 0.00 C ATOM 142 C ASN A 10 -7.264 11.820 6.965 1.00 0.00 C ATOM 143 O ASN A 10 -7.267 10.722 6.407 1.00 0.00 O ATOM 144 CB ASN A 10 -8.604 13.434 5.603 1.00 0.00 C ATOM 145 CG ASN A 10 -9.374 14.378 6.506 1.00 0.00 C ATOM 146 OD1 ASN A 10 -8.788 15.194 7.215 1.00 0.00 O ATOM 147 ND2 ASN A 10 -10.698 14.270 6.481 1.00 0.00 N ATOM 0 H ASN A 10 -5.776 12.098 5.004 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.890 13.919 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.507 13.880 4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.169 12.510 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.270 14.879 7.066 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.142 13.578 5.877 1.00 0.00 H new ATOM 154 N GLY A 11 -7.307 11.961 8.286 1.00 0.00 N ATOM 155 CA GLY A 11 -7.360 10.799 9.153 1.00 0.00 C ATOM 156 C GLY A 11 -8.617 9.978 8.942 1.00 0.00 C ATOM 157 O GLY A 11 -8.589 8.752 9.047 1.00 0.00 O ATOM 0 H GLY A 11 -7.306 12.858 8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.486 10.173 8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.311 11.122 10.193 1.00 0.00 H new ATOM 161 N TRP A 12 -9.720 10.654 8.641 1.00 0.00 N ATOM 162 CA TRP A 12 -10.992 9.980 8.412 1.00 0.00 C ATOM 163 C TRP A 12 -10.881 8.996 7.252 1.00 0.00 C ATOM 164 O TRP A 12 -11.542 7.959 7.238 1.00 0.00 O ATOM 165 CB TRP A 12 -12.092 11.003 8.125 1.00 0.00 C ATOM 166 CG TRP A 12 -13.473 10.423 8.185 1.00 0.00 C ATOM 167 CD1 TRP A 12 -14.171 9.861 7.155 1.00 0.00 C ATOM 168 CD2 TRP A 12 -14.323 10.350 9.334 1.00 0.00 C ATOM 169 NE1 TRP A 12 -15.403 9.442 7.595 1.00 0.00 N ATOM 170 CE2 TRP A 12 -15.520 9.731 8.929 1.00 0.00 C ATOM 171 CE3 TRP A 12 -14.188 10.746 10.668 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -16.575 9.501 9.809 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -15.236 10.516 11.541 1.00 0.00 C ATOM 174 CH2 TRP A 12 -16.416 9.898 11.107 1.00 0.00 C ATOM 0 H TRP A 12 -9.759 11.669 8.550 1.00 0.00 H new ATOM 0 HA TRP A 12 -11.250 9.426 9.314 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -12.017 11.818 8.844 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -11.929 11.434 7.137 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -13.808 9.761 6.143 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -16.115 8.989 7.022 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -13.282 11.223 11.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -17.486 9.026 9.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -15.143 10.818 12.574 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -17.216 9.732 11.813 1.00 0.00 H new ATOM 185 N GLN A 13 -10.037 9.331 6.280 1.00 0.00 N ATOM 186 CA GLN A 13 -9.834 8.477 5.115 1.00 0.00 C ATOM 187 C GLN A 13 -8.898 7.321 5.448 1.00 0.00 C ATOM 188 O GLN A 13 -9.012 6.233 4.883 1.00 0.00 O ATOM 189 CB GLN A 13 -9.263 9.293 3.953 1.00 0.00 C ATOM 190 CG GLN A 13 -10.303 10.140 3.236 1.00 0.00 C ATOM 191 CD GLN A 13 -10.936 9.416 2.063 1.00 0.00 C ATOM 192 OE1 GLN A 13 -12.023 8.851 2.180 1.00 0.00 O ATOM 193 NE2 GLN A 13 -10.254 9.429 0.923 1.00 0.00 N ATOM 0 H GLN A 13 -9.483 10.188 6.277 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.800 8.067 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.474 9.943 4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.802 8.615 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.081 10.429 3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.836 11.059 2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.356 9.910 0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.628 8.958 0.099 1.00 0.00 H new ATOM 202 N VAL A 14 -7.970 7.564 6.369 1.00 0.00 N ATOM 203 CA VAL A 14 -7.012 6.545 6.778 1.00 0.00 C ATOM 204 C VAL A 14 -7.698 5.426 7.557 1.00 0.00 C ATOM 205 O VAL A 14 -7.592 4.254 7.201 1.00 0.00 O ATOM 206 CB VAL A 14 -5.890 7.147 7.645 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.822 6.104 7.942 1.00 0.00 C ATOM 208 CG2 VAL A 14 -5.282 8.362 6.960 1.00 0.00 C ATOM 0 H VAL A 14 -7.862 8.459 6.846 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.577 6.135 5.867 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.322 7.469 8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.039 6.550 8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.270 5.267 8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.391 5.748 7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.491 8.775 7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.865 8.066 5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.053 9.116 6.805 1.00 0.00 H new ATOM 218 N ASP A 15 -8.403 5.799 8.620 1.00 0.00 N ATOM 219 CA ASP A 15 -9.105 4.827 9.450 1.00 0.00 C ATOM 220 C ASP A 15 -10.266 4.195 8.687 1.00 0.00 C ATOM 221 O ASP A 15 -10.616 3.038 8.916 1.00 0.00 O ATOM 222 CB ASP A 15 -9.623 5.494 10.725 1.00 0.00 C ATOM 223 CG ASP A 15 -8.558 6.323 11.418 1.00 0.00 C ATOM 224 OD1 ASP A 15 -7.442 5.802 11.626 1.00 0.00 O ATOM 225 OD2 ASP A 15 -8.840 7.493 11.750 1.00 0.00 O ATOM 0 H ASP A 15 -8.503 6.767 8.927 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.399 4.041 9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.473 6.131 10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.987 4.728 11.410 1.00 0.00 H new ATOM 230 N GLN A 16 -10.858 4.963 7.778 1.00 0.00 N ATOM 231 CA GLN A 16 -11.980 4.479 6.982 1.00 0.00 C ATOM 232 C GLN A 16 -11.495 3.595 5.836 1.00 0.00 C ATOM 233 O GLN A 16 -12.202 2.689 5.397 1.00 0.00 O ATOM 234 CB GLN A 16 -12.785 5.655 6.427 1.00 0.00 C ATOM 235 CG GLN A 16 -14.019 5.233 5.647 1.00 0.00 C ATOM 236 CD GLN A 16 -15.211 6.133 5.909 1.00 0.00 C ATOM 237 OE1 GLN A 16 -15.245 6.864 6.899 1.00 0.00 O ATOM 238 NE2 GLN A 16 -16.197 6.083 5.021 1.00 0.00 N ATOM 0 H GLN A 16 -10.579 5.923 7.574 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.621 3.883 7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.090 6.298 7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.142 6.251 5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.791 5.240 4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.278 4.208 5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.126 5.462 4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.025 6.665 5.145 1.00 0.00 H new ATOM 247 N ALA A 17 -10.286 3.866 5.355 1.00 0.00 N ATOM 248 CA ALA A 17 -9.710 3.095 4.260 1.00 0.00 C ATOM 249 C ALA A 17 -9.382 1.671 4.700 1.00 0.00 C ATOM 250 O ALA A 17 -9.497 0.728 3.919 1.00 0.00 O ATOM 251 CB ALA A 17 -8.462 3.784 3.729 1.00 0.00 C ATOM 0 H ALA A 17 -9.687 4.613 5.706 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.450 3.039 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.042 3.197 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.722 4.778 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.726 3.871 4.528 1.00 0.00 H new ATOM 257 N ILE A 18 -8.974 1.526 5.957 1.00 0.00 N ATOM 258 CA ILE A 18 -8.628 0.218 6.501 1.00 0.00 C ATOM 259 C ILE A 18 -9.878 -0.601 6.806 1.00 0.00 C ATOM 260 O ILE A 18 -9.870 -1.827 6.699 1.00 0.00 O ATOM 261 CB ILE A 18 -7.786 0.350 7.787 1.00 0.00 C ATOM 262 CG1 ILE A 18 -6.516 1.156 7.511 1.00 0.00 C ATOM 263 CG2 ILE A 18 -7.437 -1.024 8.342 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.648 0.562 6.423 1.00 0.00 C ATOM 0 H ILE A 18 -8.875 2.297 6.617 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.039 -0.295 5.740 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.377 0.880 8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.794 2.172 7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.934 1.228 8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.843 -0.910 9.249 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.354 -1.566 8.574 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.864 -1.581 7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.765 1.185 6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.340 -0.443 6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.213 0.515 5.492 1.00 0.00 H new ATOM 276 N LEU A 19 -10.950 0.081 7.193 1.00 0.00 N ATOM 277 CA LEU A 19 -12.202 -0.590 7.517 1.00 0.00 C ATOM 278 C LEU A 19 -13.092 -0.723 6.283 1.00 0.00 C ATOM 279 O LEU A 19 -13.896 -1.650 6.183 1.00 0.00 O ATOM 280 CB LEU A 19 -12.945 0.176 8.614 1.00 0.00 C ATOM 281 CG LEU A 19 -12.514 -0.160 10.043 1.00 0.00 C ATOM 282 CD1 LEU A 19 -13.110 0.835 11.027 1.00 0.00 C ATOM 283 CD2 LEU A 19 -12.924 -1.579 10.403 1.00 0.00 C ATOM 0 H LEU A 19 -10.977 1.096 7.290 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.963 -1.591 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.804 1.244 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.012 -0.023 8.516 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.428 -0.091 10.101 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.793 0.581 12.038 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.767 1.840 10.781 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.198 0.798 10.968 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.609 -1.801 11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.007 -1.675 10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.450 -2.280 9.716 1.00 0.00 H new ATOM 295 N SER A 20 -12.945 0.212 5.350 1.00 0.00 N ATOM 296 CA SER A 20 -13.740 0.204 4.125 1.00 0.00 C ATOM 297 C SER A 20 -13.487 -1.062 3.312 1.00 0.00 C ATOM 298 O SER A 20 -14.416 -1.646 2.753 1.00 0.00 O ATOM 299 CB SER A 20 -13.420 1.437 3.279 1.00 0.00 C ATOM 300 OG SER A 20 -12.029 1.535 3.024 1.00 0.00 O ATOM 0 H SER A 20 -12.283 0.985 5.418 1.00 0.00 H new ATOM 0 HA SER A 20 -14.792 0.225 4.408 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.963 1.385 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.762 2.334 3.795 1.00 0.00 H new ATOM 0 HG SER A 20 -11.879 2.113 2.247 1.00 0.00 H new ATOM 306 N GLU A 21 -12.226 -1.480 3.243 1.00 0.00 N ATOM 307 CA GLU A 21 -11.853 -2.673 2.490 1.00 0.00 C ATOM 308 C GLU A 21 -12.741 -3.866 2.854 1.00 0.00 C ATOM 309 O GLU A 21 -13.733 -4.134 2.178 1.00 0.00 O ATOM 310 CB GLU A 21 -10.376 -3.010 2.723 1.00 0.00 C ATOM 311 CG GLU A 21 -9.884 -2.711 4.133 1.00 0.00 C ATOM 312 CD GLU A 21 -9.009 -3.815 4.691 1.00 0.00 C ATOM 313 OE1 GLU A 21 -9.519 -4.940 4.880 1.00 0.00 O ATOM 314 OE2 GLU A 21 -7.813 -3.557 4.941 1.00 0.00 O ATOM 0 H GLU A 21 -11.445 -1.009 3.700 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.003 -2.461 1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.218 -4.068 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.770 -2.449 2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.324 -1.776 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.742 -2.565 4.790 1.00 0.00 H new ATOM 321 N GLU A 22 -12.384 -4.581 3.921 1.00 0.00 N ATOM 322 CA GLU A 22 -13.157 -5.740 4.358 1.00 0.00 C ATOM 323 C GLU A 22 -13.436 -6.685 3.190 1.00 0.00 C ATOM 324 O GLU A 22 -14.438 -7.399 3.183 1.00 0.00 O ATOM 325 CB GLU A 22 -14.475 -5.291 4.990 1.00 0.00 C ATOM 326 CG GLU A 22 -14.294 -4.437 6.234 1.00 0.00 C ATOM 327 CD GLU A 22 -14.360 -5.249 7.513 1.00 0.00 C ATOM 328 OE1 GLU A 22 -15.112 -6.246 7.545 1.00 0.00 O ATOM 329 OE2 GLU A 22 -13.658 -4.889 8.481 1.00 0.00 O ATOM 0 H GLU A 22 -11.567 -4.378 4.496 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.568 -6.276 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.048 -4.728 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.064 -6.172 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.333 -3.925 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.065 -3.667 6.257 1.00 0.00 H new ATOM 336 N ASP A 23 -12.542 -6.680 2.206 1.00 0.00 N ATOM 337 CA ASP A 23 -12.692 -7.533 1.033 1.00 0.00 C ATOM 338 C ASP A 23 -11.554 -8.538 0.939 1.00 0.00 C ATOM 339 O ASP A 23 -11.757 -9.743 1.094 1.00 0.00 O ATOM 340 CB ASP A 23 -12.743 -6.683 -0.237 1.00 0.00 C ATOM 341 CG ASP A 23 -14.156 -6.278 -0.606 1.00 0.00 C ATOM 342 OD1 ASP A 23 -14.791 -5.549 0.185 1.00 0.00 O ATOM 343 OD2 ASP A 23 -14.629 -6.689 -1.687 1.00 0.00 O ATOM 0 H ASP A 23 -11.707 -6.095 2.198 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.628 -8.083 1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.137 -5.788 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.301 -7.241 -1.062 1.00 0.00 H new ATOM 348 N ARG A 24 -10.358 -8.034 0.681 1.00 0.00 N ATOM 349 CA ARG A 24 -9.179 -8.882 0.561 1.00 0.00 C ATOM 350 C ARG A 24 -7.981 -8.264 1.270 1.00 0.00 C ATOM 351 O ARG A 24 -7.584 -8.711 2.346 1.00 0.00 O ATOM 352 CB ARG A 24 -8.850 -9.127 -0.915 1.00 0.00 C ATOM 353 CG ARG A 24 -8.655 -10.597 -1.257 1.00 0.00 C ATOM 354 CD ARG A 24 -9.457 -10.996 -2.487 1.00 0.00 C ATOM 355 NE ARG A 24 -10.841 -11.325 -2.154 1.00 0.00 N ATOM 356 CZ ARG A 24 -11.223 -12.491 -1.636 1.00 0.00 C ATOM 357 NH1 ARG A 24 -10.329 -13.441 -1.391 1.00 0.00 N ATOM 358 NH2 ARG A 24 -12.502 -12.707 -1.363 1.00 0.00 N ATOM 0 H ARG A 24 -10.176 -7.039 0.550 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.401 -9.836 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.654 -8.722 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.944 -8.579 -1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.597 -10.793 -1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.957 -11.212 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.442 -10.180 -3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.985 -11.854 -2.965 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.557 -10.620 -2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.344 -13.280 -1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.627 -14.332 -0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.193 -11.980 -1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.795 -13.600 -0.966 1.00 0.00 H new ATOM 372 N VAL A 25 -7.409 -7.238 0.659 1.00 0.00 N ATOM 373 CA VAL A 25 -6.251 -6.555 1.227 1.00 0.00 C ATOM 374 C VAL A 25 -6.213 -5.093 0.795 1.00 0.00 C ATOM 375 O VAL A 25 -7.063 -4.636 0.032 1.00 0.00 O ATOM 376 CB VAL A 25 -4.921 -7.234 0.820 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.136 -7.653 2.054 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.169 -8.433 -0.088 1.00 0.00 C ATOM 0 H VAL A 25 -7.727 -6.857 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.356 -6.615 2.310 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.331 -6.507 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.204 -8.129 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.913 -6.774 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.727 -8.357 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.216 -8.889 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.786 -9.164 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.682 -8.105 -0.992 1.00 0.00 H new ATOM 388 N VAL A 26 -5.213 -4.363 1.281 1.00 0.00 N ATOM 389 CA VAL A 26 -5.054 -2.968 0.943 1.00 0.00 C ATOM 390 C VAL A 26 -3.601 -2.527 1.096 1.00 0.00 C ATOM 391 O VAL A 26 -2.827 -3.143 1.829 1.00 0.00 O ATOM 392 CB VAL A 26 -5.972 -2.044 1.791 1.00 0.00 C ATOM 393 CG1 VAL A 26 -7.218 -2.783 2.263 1.00 0.00 C ATOM 394 CG2 VAL A 26 -5.222 -1.460 2.982 1.00 0.00 C ATOM 0 H VAL A 26 -4.500 -4.726 1.914 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.352 -2.870 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.285 -1.222 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.839 -2.109 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.783 -3.133 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.925 -3.636 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.892 -0.819 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.863 -2.269 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.374 -0.874 2.626 1.00 0.00 H new ATOM 404 N VAL A 27 -3.243 -1.452 0.406 1.00 0.00 N ATOM 405 CA VAL A 27 -1.887 -0.918 0.469 1.00 0.00 C ATOM 406 C VAL A 27 -1.899 0.532 0.940 1.00 0.00 C ATOM 407 O VAL A 27 -2.854 1.268 0.693 1.00 0.00 O ATOM 408 CB VAL A 27 -1.169 -0.995 -0.897 1.00 0.00 C ATOM 409 CG1 VAL A 27 -0.161 -2.134 -0.908 1.00 0.00 C ATOM 410 CG2 VAL A 27 -2.168 -1.148 -2.034 1.00 0.00 C ATOM 0 H VAL A 27 -3.873 -0.932 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.341 -1.536 1.183 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.632 -0.059 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.334 -2.172 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.582 -1.970 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.676 -3.077 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.634 -1.200 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.744 -2.062 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.843 -0.292 -2.043 1.00 0.00 H new ATOM 420 N ILE A 28 -0.833 0.937 1.622 1.00 0.00 N ATOM 421 CA ILE A 28 -0.723 2.298 2.127 1.00 0.00 C ATOM 422 C ILE A 28 0.654 2.884 1.833 1.00 0.00 C ATOM 423 O ILE A 28 1.633 2.564 2.505 1.00 0.00 O ATOM 424 CB ILE A 28 -0.979 2.357 3.645 1.00 0.00 C ATOM 425 CG1 ILE A 28 -2.248 1.581 4.002 1.00 0.00 C ATOM 426 CG2 ILE A 28 -1.088 3.802 4.109 1.00 0.00 C ATOM 427 CD1 ILE A 28 -3.500 2.146 3.366 1.00 0.00 C ATOM 0 H ILE A 28 -0.034 0.341 1.837 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.483 2.887 1.614 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.136 1.894 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.129 0.543 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.370 1.578 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.269 3.826 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.159 4.327 3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.914 4.289 3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.361 1.547 3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.643 3.175 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.399 2.124 2.281 1.00 0.00 H new ATOM 439 N ARG A 29 0.720 3.744 0.822 1.00 0.00 N ATOM 440 CA ARG A 29 1.975 4.377 0.437 1.00 0.00 C ATOM 441 C ARG A 29 2.347 5.489 1.413 1.00 0.00 C ATOM 442 O ARG A 29 1.477 6.092 2.041 1.00 0.00 O ATOM 443 CB ARG A 29 1.871 4.939 -0.982 1.00 0.00 C ATOM 444 CG ARG A 29 3.214 5.306 -1.592 1.00 0.00 C ATOM 445 CD ARG A 29 3.095 5.563 -3.085 1.00 0.00 C ATOM 446 NE ARG A 29 2.818 4.337 -3.830 1.00 0.00 N ATOM 447 CZ ARG A 29 2.309 4.317 -5.060 1.00 0.00 C ATOM 448 NH1 ARG A 29 2.022 5.450 -5.688 1.00 0.00 N ATOM 449 NH2 ARG A 29 2.087 3.158 -5.666 1.00 0.00 N ATOM 0 H ARG A 29 -0.082 4.018 0.254 1.00 0.00 H new ATOM 0 HA ARG A 29 2.759 3.620 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.381 4.204 -1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.234 5.824 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.608 6.195 -1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.927 4.501 -1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.299 6.285 -3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.020 6.009 -3.451 1.00 0.00 H new ATOM 0 HE ARG A 29 3.027 3.445 -3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.191 6.345 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.632 5.426 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.306 2.283 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.697 3.142 -6.608 1.00 0.00 H new ATOM 463 N PHE A 30 3.643 5.755 1.533 1.00 0.00 N ATOM 464 CA PHE A 30 4.130 6.795 2.432 1.00 0.00 C ATOM 465 C PHE A 30 4.848 7.893 1.656 1.00 0.00 C ATOM 466 O PHE A 30 5.472 7.634 0.627 1.00 0.00 O ATOM 467 CB PHE A 30 5.073 6.193 3.476 1.00 0.00 C ATOM 468 CG PHE A 30 5.521 7.176 4.519 1.00 0.00 C ATOM 469 CD1 PHE A 30 4.765 7.389 5.660 1.00 0.00 C ATOM 470 CD2 PHE A 30 6.700 7.886 4.359 1.00 0.00 C ATOM 471 CE1 PHE A 30 5.175 8.292 6.623 1.00 0.00 C ATOM 472 CE2 PHE A 30 7.116 8.791 5.317 1.00 0.00 C ATOM 473 CZ PHE A 30 6.352 8.994 6.451 1.00 0.00 C ATOM 0 H PHE A 30 4.375 5.265 1.019 1.00 0.00 H new ATOM 0 HA PHE A 30 3.271 7.235 2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.573 5.358 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.949 5.787 2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.844 6.843 5.799 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.301 7.730 3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.576 8.448 7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.037 9.339 5.180 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.675 9.700 7.201 1.00 0.00 H new ATOM 483 N GLY A 31 4.755 9.120 2.158 1.00 0.00 N ATOM 484 CA GLY A 31 5.402 10.241 1.499 1.00 0.00 C ATOM 485 C GLY A 31 4.427 11.095 0.713 1.00 0.00 C ATOM 486 O GLY A 31 3.216 10.875 0.766 1.00 0.00 O ATOM 0 H GLY A 31 4.244 9.359 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.900 10.859 2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.175 9.867 0.828 1.00 0.00 H new ATOM 490 N HIS A 32 4.954 12.072 -0.017 1.00 0.00 N ATOM 491 CA HIS A 32 4.122 12.962 -0.818 1.00 0.00 C ATOM 492 C HIS A 32 3.716 12.297 -2.128 1.00 0.00 C ATOM 493 O HIS A 32 4.397 11.393 -2.614 1.00 0.00 O ATOM 494 CB HIS A 32 4.867 14.268 -1.104 1.00 0.00 C ATOM 495 CG HIS A 32 3.959 15.422 -1.400 1.00 0.00 C ATOM 496 ND1 HIS A 32 3.912 16.047 -2.629 1.00 0.00 N ATOM 497 CD2 HIS A 32 3.060 16.065 -0.618 1.00 0.00 C ATOM 498 CE1 HIS A 32 3.023 17.024 -2.589 1.00 0.00 C ATOM 499 NE2 HIS A 32 2.492 17.055 -1.381 1.00 0.00 N ATOM 0 H HIS A 32 5.954 12.268 -0.070 1.00 0.00 H new ATOM 0 HA HIS A 32 3.218 13.183 -0.250 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.490 14.517 -0.245 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.537 14.117 -1.950 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.832 15.841 0.414 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.773 17.685 -3.406 1.00 0.00 H new ATOM 0 HE2 HIS A 32 1.776 17.709 -1.065 1.00 0.00 H new ATOM 508 N ASP A 33 2.603 12.750 -2.696 1.00 0.00 N ATOM 509 CA ASP A 33 2.105 12.200 -3.951 1.00 0.00 C ATOM 510 C ASP A 33 3.099 12.440 -5.085 1.00 0.00 C ATOM 511 O ASP A 33 3.174 11.658 -6.032 1.00 0.00 O ATOM 512 CB ASP A 33 0.752 12.820 -4.303 1.00 0.00 C ATOM 513 CG ASP A 33 -0.195 11.822 -4.939 1.00 0.00 C ATOM 514 OD1 ASP A 33 0.285 10.937 -5.678 1.00 0.00 O ATOM 515 OD2 ASP A 33 -1.415 11.924 -4.697 1.00 0.00 O ATOM 0 H ASP A 33 2.029 13.497 -2.306 1.00 0.00 H new ATOM 0 HA ASP A 33 1.982 11.125 -3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.295 13.225 -3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.905 13.656 -4.985 1.00 0.00 H new ATOM 520 N TRP A 34 3.856 13.527 -4.981 1.00 0.00 N ATOM 521 CA TRP A 34 4.844 13.870 -5.999 1.00 0.00 C ATOM 522 C TRP A 34 6.233 13.385 -5.597 1.00 0.00 C ATOM 523 O TRP A 34 7.230 14.074 -5.818 1.00 0.00 O ATOM 524 CB TRP A 34 4.863 15.381 -6.230 1.00 0.00 C ATOM 525 CG TRP A 34 5.697 15.791 -7.406 1.00 0.00 C ATOM 526 CD1 TRP A 34 6.931 16.374 -7.372 1.00 0.00 C ATOM 527 CD2 TRP A 34 5.357 15.651 -8.789 1.00 0.00 C ATOM 528 NE1 TRP A 34 7.379 16.605 -8.651 1.00 0.00 N ATOM 529 CE2 TRP A 34 6.431 16.169 -9.538 1.00 0.00 C ATOM 530 CE3 TRP A 34 4.248 15.136 -9.469 1.00 0.00 C ATOM 531 CZ2 TRP A 34 6.427 16.187 -10.931 1.00 0.00 C ATOM 532 CZ3 TRP A 34 4.247 15.154 -10.851 1.00 0.00 C ATOM 533 CH2 TRP A 34 5.330 15.676 -11.569 1.00 0.00 C ATOM 0 H TRP A 34 3.805 14.185 -4.203 1.00 0.00 H new ATOM 0 HA TRP A 34 4.562 13.371 -6.926 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.842 15.732 -6.378 1.00 0.00 H new ATOM 0 HB3 TRP A 34 5.243 15.874 -5.335 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.476 16.618 -6.472 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.272 17.032 -8.899 1.00 0.00 H new ATOM 0 HE3 TRP A 34 3.408 14.732 -8.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.260 16.590 -11.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 3.396 14.759 -11.386 1.00 0.00 H new ATOM 0 HH2 TRP A 34 5.299 15.675 -12.649 1.00 0.00 H new ATOM 544 N ASP A 35 6.293 12.197 -5.004 1.00 0.00 N ATOM 545 CA ASP A 35 7.562 11.622 -4.572 1.00 0.00 C ATOM 546 C ASP A 35 8.212 10.828 -5.702 1.00 0.00 C ATOM 547 O ASP A 35 7.548 10.450 -6.668 1.00 0.00 O ATOM 548 CB ASP A 35 7.348 10.718 -3.356 1.00 0.00 C ATOM 549 CG ASP A 35 7.531 11.459 -2.045 1.00 0.00 C ATOM 550 OD1 ASP A 35 8.131 12.554 -2.059 1.00 0.00 O ATOM 551 OD2 ASP A 35 7.073 10.944 -1.003 1.00 0.00 O ATOM 0 H ASP A 35 5.478 11.614 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 35 8.228 12.440 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.344 10.294 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.048 9.884 -3.399 1.00 0.00 H new ATOM 556 N PRO A 36 9.526 10.564 -5.597 1.00 0.00 N ATOM 557 CA PRO A 36 10.265 9.811 -6.616 1.00 0.00 C ATOM 558 C PRO A 36 9.688 8.414 -6.834 1.00 0.00 C ATOM 559 O PRO A 36 9.048 8.150 -7.850 1.00 0.00 O ATOM 560 CB PRO A 36 11.690 9.725 -6.053 1.00 0.00 C ATOM 561 CG PRO A 36 11.563 10.045 -4.601 1.00 0.00 C ATOM 562 CD PRO A 36 10.392 10.976 -4.482 1.00 0.00 C ATOM 0 HA PRO A 36 10.215 10.296 -7.591 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.111 8.731 -6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.353 10.430 -6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.403 9.140 -4.015 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.473 10.512 -4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.889 10.871 -3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.695 12.019 -4.571 1.00 0.00 H new ATOM 570 N THR A 37 9.921 7.524 -5.874 1.00 0.00 N ATOM 571 CA THR A 37 9.429 6.159 -5.960 1.00 0.00 C ATOM 572 C THR A 37 7.919 6.138 -6.168 1.00 0.00 C ATOM 573 O THR A 37 7.382 5.233 -6.806 1.00 0.00 O ATOM 574 CB THR A 37 9.793 5.385 -4.692 1.00 0.00 C ATOM 575 OG1 THR A 37 11.147 5.606 -4.342 1.00 0.00 O ATOM 576 CG2 THR A 37 9.591 3.890 -4.825 1.00 0.00 C ATOM 0 H THR A 37 10.450 7.728 -5.026 1.00 0.00 H new ATOM 0 HA THR A 37 9.902 5.681 -6.818 1.00 0.00 H new ATOM 0 HB THR A 37 9.120 5.759 -3.921 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.277 5.401 -3.393 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.868 3.401 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.544 3.683 -5.047 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.216 3.509 -5.633 1.00 0.00 H new ATOM 584 N CYS A 38 7.242 7.144 -5.625 1.00 0.00 N ATOM 585 CA CYS A 38 5.794 7.246 -5.749 1.00 0.00 C ATOM 586 C CYS A 38 5.380 7.338 -7.214 1.00 0.00 C ATOM 587 O CYS A 38 4.426 6.689 -7.643 1.00 0.00 O ATOM 588 CB CYS A 38 5.280 8.468 -4.986 1.00 0.00 C ATOM 589 SG CYS A 38 3.483 8.667 -5.034 1.00 0.00 S ATOM 0 H CYS A 38 7.674 7.901 -5.094 1.00 0.00 H new ATOM 0 HA CYS A 38 5.353 6.346 -5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.599 8.394 -3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.745 9.363 -5.399 1.00 0.00 H new ATOM 0 HG CYS A 38 3.190 9.876 -5.411 1.00 0.00 H new ATOM 595 N MET A 39 6.106 8.148 -7.979 1.00 0.00 N ATOM 596 CA MET A 39 5.816 8.324 -9.397 1.00 0.00 C ATOM 597 C MET A 39 5.956 7.003 -10.146 1.00 0.00 C ATOM 598 O MET A 39 5.220 6.735 -11.096 1.00 0.00 O ATOM 599 CB MET A 39 6.752 9.370 -10.004 1.00 0.00 C ATOM 600 CG MET A 39 6.291 9.885 -11.358 1.00 0.00 C ATOM 601 SD MET A 39 7.653 10.501 -12.367 1.00 0.00 S ATOM 602 CE MET A 39 7.270 12.249 -12.422 1.00 0.00 C ATOM 0 H MET A 39 6.899 8.692 -7.640 1.00 0.00 H new ATOM 0 HA MET A 39 4.787 8.669 -9.493 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.840 10.210 -9.315 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.747 8.938 -10.108 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.781 9.084 -11.893 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.563 10.683 -11.210 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.025 12.768 -13.013 1.00 0.00 H new ATOM 0 HE2 MET A 39 6.290 12.393 -12.878 1.00 0.00 H new ATOM 0 HE3 MET A 39 7.261 12.652 -11.409 1.00 0.00 H new ATOM 612 N LYS A 40 6.905 6.180 -9.710 1.00 0.00 N ATOM 613 CA LYS A 40 7.143 4.886 -10.338 1.00 0.00 C ATOM 614 C LYS A 40 6.012 3.914 -10.018 1.00 0.00 C ATOM 615 O LYS A 40 5.377 3.366 -10.919 1.00 0.00 O ATOM 616 CB LYS A 40 8.478 4.305 -9.870 1.00 0.00 C ATOM 617 CG LYS A 40 9.655 4.704 -10.744 1.00 0.00 C ATOM 618 CD LYS A 40 9.952 3.646 -11.795 1.00 0.00 C ATOM 619 CE LYS A 40 9.285 3.975 -13.121 1.00 0.00 C ATOM 620 NZ LYS A 40 8.939 2.747 -13.889 1.00 0.00 N ATOM 0 H LYS A 40 7.521 6.387 -8.924 1.00 0.00 H new ATOM 0 HA LYS A 40 7.179 5.034 -11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.668 4.631 -8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.404 3.218 -9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.441 5.654 -11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.536 4.858 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.030 3.567 -11.938 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.605 2.675 -11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.381 4.556 -12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.950 4.600 -13.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.486 3.015 -14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.805 2.205 -14.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.284 2.162 -13.332 1.00 0.00 H new ATOM 634 N MET A 41 5.764 3.707 -8.729 1.00 0.00 N ATOM 635 CA MET A 41 4.708 2.803 -8.289 1.00 0.00 C ATOM 636 C MET A 41 3.350 3.266 -8.804 1.00 0.00 C ATOM 637 O MET A 41 2.560 2.467 -9.308 1.00 0.00 O ATOM 638 CB MET A 41 4.684 2.717 -6.761 1.00 0.00 C ATOM 639 CG MET A 41 6.023 2.335 -6.153 1.00 0.00 C ATOM 640 SD MET A 41 5.993 2.338 -4.349 1.00 0.00 S ATOM 641 CE MET A 41 6.173 4.088 -4.011 1.00 0.00 C ATOM 0 H MET A 41 6.280 4.153 -7.971 1.00 0.00 H new ATOM 0 HA MET A 41 4.916 1.814 -8.698 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.372 3.680 -6.356 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.935 1.986 -6.458 1.00 0.00 H new ATOM 0 HG2 MET A 41 6.309 1.344 -6.506 1.00 0.00 H new ATOM 0 HG3 MET A 41 6.787 3.030 -6.501 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.486 4.378 -3.216 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.197 4.295 -3.699 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.946 4.658 -4.912 1.00 0.00 H new ATOM 651 N ASP A 42 3.085 4.562 -8.676 1.00 0.00 N ATOM 652 CA ASP A 42 1.823 5.136 -9.129 1.00 0.00 C ATOM 653 C ASP A 42 1.585 4.834 -10.605 1.00 0.00 C ATOM 654 O ASP A 42 0.467 4.517 -11.012 1.00 0.00 O ATOM 655 CB ASP A 42 1.815 6.649 -8.899 1.00 0.00 C ATOM 656 CG ASP A 42 0.432 7.250 -9.053 1.00 0.00 C ATOM 657 OD1 ASP A 42 -0.373 7.138 -8.104 1.00 0.00 O ATOM 658 OD2 ASP A 42 0.154 7.832 -10.122 1.00 0.00 O ATOM 0 H ASP A 42 3.729 5.236 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 42 1.019 4.682 -8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.192 6.864 -7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.496 7.125 -9.605 1.00 0.00 H new ATOM 663 N GLU A 43 2.644 4.931 -11.403 1.00 0.00 N ATOM 664 CA GLU A 43 2.551 4.666 -12.833 1.00 0.00 C ATOM 665 C GLU A 43 2.073 3.241 -13.090 1.00 0.00 C ATOM 666 O GLU A 43 1.277 2.994 -13.996 1.00 0.00 O ATOM 667 CB GLU A 43 3.906 4.892 -13.506 1.00 0.00 C ATOM 668 CG GLU A 43 4.148 6.335 -13.919 1.00 0.00 C ATOM 669 CD GLU A 43 3.739 6.607 -15.353 1.00 0.00 C ATOM 670 OE1 GLU A 43 4.105 5.804 -16.237 1.00 0.00 O ATOM 671 OE2 GLU A 43 3.053 7.623 -15.593 1.00 0.00 O ATOM 0 H GLU A 43 3.577 5.191 -11.082 1.00 0.00 H new ATOM 0 HA GLU A 43 1.824 5.357 -13.259 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.697 4.581 -12.824 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.975 4.254 -14.387 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.593 6.997 -13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.205 6.572 -13.795 1.00 0.00 H new ATOM 678 N VAL A 44 2.565 2.305 -12.284 1.00 0.00 N ATOM 679 CA VAL A 44 2.188 0.903 -12.419 1.00 0.00 C ATOM 680 C VAL A 44 0.814 0.646 -11.813 1.00 0.00 C ATOM 681 O VAL A 44 -0.001 -0.078 -12.385 1.00 0.00 O ATOM 682 CB VAL A 44 3.215 -0.023 -11.741 1.00 0.00 C ATOM 683 CG1 VAL A 44 2.942 -1.475 -12.102 1.00 0.00 C ATOM 684 CG2 VAL A 44 4.632 0.373 -12.128 1.00 0.00 C ATOM 0 H VAL A 44 3.226 2.493 -11.530 1.00 0.00 H new ATOM 0 HA VAL A 44 2.161 0.683 -13.486 1.00 0.00 H new ATOM 0 HB VAL A 44 3.116 0.085 -10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.677 -2.116 -11.614 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.942 -1.751 -11.768 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.011 -1.601 -13.183 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.342 -0.293 -11.639 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.749 0.297 -13.209 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.822 1.399 -11.814 1.00 0.00 H new ATOM 694 N LEU A 45 0.564 1.244 -10.651 1.00 0.00 N ATOM 695 CA LEU A 45 -0.713 1.082 -9.958 1.00 0.00 C ATOM 696 C LEU A 45 -1.891 1.263 -10.912 1.00 0.00 C ATOM 697 O LEU A 45 -2.807 0.440 -10.945 1.00 0.00 O ATOM 698 CB LEU A 45 -0.816 2.083 -8.804 1.00 0.00 C ATOM 699 CG LEU A 45 -0.627 1.485 -7.409 1.00 0.00 C ATOM 700 CD1 LEU A 45 -1.790 0.571 -7.058 1.00 0.00 C ATOM 701 CD2 LEU A 45 0.691 0.730 -7.329 1.00 0.00 C ATOM 0 H LEU A 45 1.230 1.847 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.753 0.067 -9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.069 2.863 -8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.793 2.564 -8.847 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.602 2.299 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.638 0.155 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.719 1.141 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.848 -0.239 -7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.810 0.311 -6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.694 -0.076 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.515 1.413 -7.536 1.00 0.00 H new ATOM 713 N TYR A 46 -1.861 2.343 -11.685 1.00 0.00 N ATOM 714 CA TYR A 46 -2.928 2.633 -12.639 1.00 0.00 C ATOM 715 C TYR A 46 -3.141 1.463 -13.596 1.00 0.00 C ATOM 716 O TYR A 46 -4.250 1.238 -14.080 1.00 0.00 O ATOM 717 CB TYR A 46 -2.601 3.900 -13.430 1.00 0.00 C ATOM 718 CG TYR A 46 -3.813 4.751 -13.738 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.620 4.475 -14.834 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.149 5.831 -12.931 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.728 5.251 -15.118 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.256 6.612 -13.209 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.041 6.318 -14.303 1.00 0.00 C ATOM 724 OH TYR A 46 -7.143 7.093 -14.582 1.00 0.00 O ATOM 0 H TYR A 46 -1.110 3.033 -11.671 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.849 2.789 -12.077 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.883 4.495 -12.866 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.117 3.620 -14.366 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.378 3.640 -15.475 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.536 6.064 -12.073 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.345 5.023 -15.974 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.504 7.448 -12.572 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.223 7.802 -13.910 1.00 0.00 H new ATOM 734 N SER A 47 -2.071 0.722 -13.865 1.00 0.00 N ATOM 735 CA SER A 47 -2.141 -0.424 -14.766 1.00 0.00 C ATOM 736 C SER A 47 -2.475 -1.703 -14.004 1.00 0.00 C ATOM 737 O SER A 47 -3.070 -2.628 -14.556 1.00 0.00 O ATOM 738 CB SER A 47 -0.816 -0.592 -15.512 1.00 0.00 C ATOM 739 OG SER A 47 -0.846 0.074 -16.763 1.00 0.00 O ATOM 0 H SER A 47 -1.145 0.894 -13.472 1.00 0.00 H new ATOM 0 HA SER A 47 -2.937 -0.237 -15.487 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.001 -0.197 -14.906 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.614 -1.652 -15.666 1.00 0.00 H new ATOM 0 HG SER A 47 0.013 -0.047 -17.219 1.00 0.00 H new ATOM 745 N ILE A 48 -2.085 -1.752 -12.734 1.00 0.00 N ATOM 746 CA ILE A 48 -2.341 -2.921 -11.901 1.00 0.00 C ATOM 747 C ILE A 48 -3.342 -2.604 -10.795 1.00 0.00 C ATOM 748 O ILE A 48 -3.277 -3.168 -9.703 1.00 0.00 O ATOM 749 CB ILE A 48 -1.040 -3.456 -11.267 1.00 0.00 C ATOM 750 CG1 ILE A 48 -0.409 -2.396 -10.360 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.061 -3.881 -12.350 1.00 0.00 C ATOM 752 CD1 ILE A 48 0.446 -2.979 -9.255 1.00 0.00 C ATOM 0 H ILE A 48 -1.591 -0.996 -12.260 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.760 -3.687 -12.554 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.284 -4.327 -10.658 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.201 -1.727 -10.966 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.200 -1.791 -9.916 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.852 -4.256 -11.888 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.510 -4.667 -12.958 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.177 -3.025 -12.981 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.861 -2.172 -8.652 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.165 -3.626 -8.625 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.258 -3.560 -9.692 1.00 0.00 H new ATOM 764 N ALA A 49 -4.269 -1.695 -11.085 1.00 0.00 N ATOM 765 CA ALA A 49 -5.282 -1.303 -10.113 1.00 0.00 C ATOM 766 C ALA A 49 -6.638 -1.915 -10.450 1.00 0.00 C ATOM 767 O ALA A 49 -7.077 -2.867 -9.804 1.00 0.00 O ATOM 768 CB ALA A 49 -5.389 0.213 -10.046 1.00 0.00 C ATOM 0 H ALA A 49 -4.339 -1.218 -11.984 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.976 -1.680 -9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.149 0.492 -9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.428 0.633 -9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.666 0.602 -11.026 1.00 0.00 H new ATOM 774 N GLU A 50 -7.298 -1.359 -11.462 1.00 0.00 N ATOM 775 CA GLU A 50 -8.608 -1.840 -11.888 1.00 0.00 C ATOM 776 C GLU A 50 -8.633 -3.362 -12.013 1.00 0.00 C ATOM 777 O GLU A 50 -9.679 -3.990 -11.845 1.00 0.00 O ATOM 778 CB GLU A 50 -8.996 -1.203 -13.223 1.00 0.00 C ATOM 779 CG GLU A 50 -9.646 0.163 -13.079 1.00 0.00 C ATOM 780 CD GLU A 50 -9.623 0.958 -14.371 1.00 0.00 C ATOM 781 OE1 GLU A 50 -10.034 0.409 -15.414 1.00 0.00 O ATOM 782 OE2 GLU A 50 -9.192 2.130 -14.337 1.00 0.00 O ATOM 0 H GLU A 50 -6.945 -0.571 -12.005 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.331 -1.552 -11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.105 -1.108 -13.844 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.681 -1.869 -13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.678 0.038 -12.752 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.131 0.726 -12.301 1.00 0.00 H new ATOM 789 N LYS A 51 -7.478 -3.949 -12.312 1.00 0.00 N ATOM 790 CA LYS A 51 -7.371 -5.397 -12.464 1.00 0.00 C ATOM 791 C LYS A 51 -7.884 -6.122 -11.222 1.00 0.00 C ATOM 792 O LYS A 51 -8.491 -7.189 -11.321 1.00 0.00 O ATOM 793 CB LYS A 51 -5.921 -5.797 -12.738 1.00 0.00 C ATOM 794 CG LYS A 51 -4.915 -5.090 -11.845 1.00 0.00 C ATOM 795 CD LYS A 51 -3.634 -5.897 -11.700 1.00 0.00 C ATOM 796 CE LYS A 51 -2.966 -6.128 -13.046 1.00 0.00 C ATOM 797 NZ LYS A 51 -3.264 -7.482 -13.590 1.00 0.00 N ATOM 0 H LYS A 51 -6.603 -3.445 -12.454 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.990 -5.690 -13.312 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.819 -6.874 -12.604 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.684 -5.581 -13.780 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.683 -4.110 -12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.354 -4.923 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.946 -5.373 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.858 -6.857 -11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.304 -5.370 -13.753 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.888 -6.008 -12.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.593 -7.705 -14.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.174 -8.188 -12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.233 -7.499 -13.966 1.00 0.00 H new ATOM 811 N VAL A 52 -7.637 -5.538 -10.053 1.00 0.00 N ATOM 812 CA VAL A 52 -8.075 -6.133 -8.796 1.00 0.00 C ATOM 813 C VAL A 52 -8.516 -5.066 -7.800 1.00 0.00 C ATOM 814 O VAL A 52 -8.502 -5.291 -6.589 1.00 0.00 O ATOM 815 CB VAL A 52 -6.958 -6.981 -8.158 1.00 0.00 C ATOM 816 CG1 VAL A 52 -6.762 -8.275 -8.933 1.00 0.00 C ATOM 817 CG2 VAL A 52 -5.660 -6.191 -8.090 1.00 0.00 C ATOM 0 H VAL A 52 -7.137 -4.655 -9.951 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.923 -6.775 -9.032 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.256 -7.235 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.969 -8.861 -8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.689 -8.848 -8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.487 -8.045 -9.962 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.883 -6.806 -7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.355 -5.905 -9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.811 -5.295 -7.488 1.00 0.00 H new ATOM 827 N LYS A 53 -8.907 -3.902 -8.314 1.00 0.00 N ATOM 828 CA LYS A 53 -9.350 -2.800 -7.472 1.00 0.00 C ATOM 829 C LYS A 53 -10.429 -3.251 -6.491 1.00 0.00 C ATOM 830 O LYS A 53 -10.548 -2.710 -5.391 1.00 0.00 O ATOM 831 CB LYS A 53 -9.876 -1.653 -8.336 1.00 0.00 C ATOM 832 CG LYS A 53 -8.836 -0.580 -8.622 1.00 0.00 C ATOM 833 CD LYS A 53 -9.009 0.622 -7.708 1.00 0.00 C ATOM 834 CE LYS A 53 -8.837 0.240 -6.247 1.00 0.00 C ATOM 835 NZ LYS A 53 -8.881 1.430 -5.353 1.00 0.00 N ATOM 0 H LYS A 53 -8.925 -3.700 -9.314 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.492 -2.452 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.238 -2.058 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.730 -1.195 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.837 -0.996 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.916 -0.262 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.281 1.389 -7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.998 1.055 -7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.622 -0.459 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.886 -0.277 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.760 1.127 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.116 2.086 -5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.798 1.909 -5.458 1.00 0.00 H new ATOM 849 N ASN A 54 -11.213 -4.244 -6.898 1.00 0.00 N ATOM 850 CA ASN A 54 -12.285 -4.766 -6.057 1.00 0.00 C ATOM 851 C ASN A 54 -11.733 -5.684 -4.970 1.00 0.00 C ATOM 852 O ASN A 54 -12.323 -5.816 -3.898 1.00 0.00 O ATOM 853 CB ASN A 54 -13.306 -5.523 -6.908 1.00 0.00 C ATOM 854 CG ASN A 54 -14.501 -5.988 -6.101 1.00 0.00 C ATOM 855 OD1 ASN A 54 -14.810 -5.428 -5.049 1.00 0.00 O ATOM 856 ND2 ASN A 54 -15.181 -7.018 -6.590 1.00 0.00 N ATOM 0 H ASN A 54 -11.126 -4.703 -7.805 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.776 -3.920 -5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.647 -4.879 -7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.823 -6.386 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.995 -7.375 -6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.889 -7.452 -7.466 1.00 0.00 H new ATOM 863 N PHE A 55 -10.599 -6.319 -5.254 1.00 0.00 N ATOM 864 CA PHE A 55 -9.974 -7.226 -4.297 1.00 0.00 C ATOM 865 C PHE A 55 -9.058 -6.466 -3.347 1.00 0.00 C ATOM 866 O PHE A 55 -9.077 -6.687 -2.137 1.00 0.00 O ATOM 867 CB PHE A 55 -9.184 -8.309 -5.032 1.00 0.00 C ATOM 868 CG PHE A 55 -10.052 -9.341 -5.694 1.00 0.00 C ATOM 869 CD1 PHE A 55 -11.127 -9.897 -5.020 1.00 0.00 C ATOM 870 CD2 PHE A 55 -9.791 -9.754 -6.991 1.00 0.00 C ATOM 871 CE1 PHE A 55 -11.927 -10.846 -5.627 1.00 0.00 C ATOM 872 CE2 PHE A 55 -10.588 -10.704 -7.602 1.00 0.00 C ATOM 873 CZ PHE A 55 -11.657 -11.250 -6.920 1.00 0.00 C ATOM 0 H PHE A 55 -10.096 -6.223 -6.136 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.763 -7.697 -3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.554 -7.838 -5.786 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.519 -8.805 -4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.342 -9.585 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.957 -9.329 -7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -12.763 -11.271 -5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.374 -11.019 -8.613 1.00 0.00 H new ATOM 0 HZ PHE A 55 -12.281 -11.992 -7.397 1.00 0.00 H new ATOM 883 N ALA A 56 -8.259 -5.570 -3.907 1.00 0.00 N ATOM 884 CA ALA A 56 -7.331 -4.772 -3.115 1.00 0.00 C ATOM 885 C ALA A 56 -7.618 -3.282 -3.270 1.00 0.00 C ATOM 886 O ALA A 56 -8.326 -2.871 -4.190 1.00 0.00 O ATOM 887 CB ALA A 56 -5.896 -5.079 -3.514 1.00 0.00 C ATOM 0 H ALA A 56 -8.234 -5.376 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.468 -5.035 -2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.215 -4.476 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.690 -6.136 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.754 -4.846 -4.569 1.00 0.00 H new ATOM 893 N VAL A 57 -7.065 -2.475 -2.368 1.00 0.00 N ATOM 894 CA VAL A 57 -7.265 -1.032 -2.415 1.00 0.00 C ATOM 895 C VAL A 57 -6.034 -0.301 -1.896 1.00 0.00 C ATOM 896 O VAL A 57 -5.493 -0.646 -0.846 1.00 0.00 O ATOM 897 CB VAL A 57 -8.491 -0.603 -1.588 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.776 -1.059 -2.262 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.398 -1.154 -0.172 1.00 0.00 C ATOM 0 H VAL A 57 -6.477 -2.796 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.436 -0.767 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.505 0.485 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.632 -0.747 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.845 -0.612 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.774 -2.145 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.273 -0.841 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.358 -2.243 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.497 -0.773 0.308 1.00 0.00 H new ATOM 909 N ILE A 58 -5.588 0.705 -2.641 1.00 0.00 N ATOM 910 CA ILE A 58 -4.413 1.472 -2.251 1.00 0.00 C ATOM 911 C ILE A 58 -4.764 2.920 -1.934 1.00 0.00 C ATOM 912 O ILE A 58 -5.795 3.432 -2.370 1.00 0.00 O ATOM 913 CB ILE A 58 -3.329 1.437 -3.349 1.00 0.00 C ATOM 914 CG1 ILE A 58 -2.002 1.959 -2.797 1.00 0.00 C ATOM 915 CG2 ILE A 58 -3.763 2.246 -4.565 1.00 0.00 C ATOM 916 CD1 ILE A 58 -0.810 1.616 -3.663 1.00 0.00 C ATOM 0 H ILE A 58 -6.021 1.006 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.021 1.002 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.191 0.403 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.063 3.042 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.846 1.548 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.983 2.207 -5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.685 1.829 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.932 3.282 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.096 2.018 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.723 0.533 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.943 2.050 -4.654 1.00 0.00 H new ATOM 928 N TYR A 59 -3.887 3.572 -1.181 1.00 0.00 N ATOM 929 CA TYR A 59 -4.073 4.955 -0.802 1.00 0.00 C ATOM 930 C TYR A 59 -2.747 5.586 -0.390 1.00 0.00 C ATOM 931 O TYR A 59 -1.978 4.999 0.372 1.00 0.00 O ATOM 932 CB TYR A 59 -5.089 5.080 0.337 1.00 0.00 C ATOM 933 CG TYR A 59 -6.420 4.424 0.046 1.00 0.00 C ATOM 934 CD1 TYR A 59 -7.353 5.039 -0.780 1.00 0.00 C ATOM 935 CD2 TYR A 59 -6.743 3.190 0.595 1.00 0.00 C ATOM 936 CE1 TYR A 59 -8.571 4.444 -1.048 1.00 0.00 C ATOM 937 CE2 TYR A 59 -7.958 2.587 0.331 1.00 0.00 C ATOM 938 CZ TYR A 59 -8.869 3.218 -0.491 1.00 0.00 C ATOM 939 OH TYR A 59 -10.080 2.622 -0.755 1.00 0.00 O ATOM 0 H TYR A 59 -3.030 3.152 -0.820 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.460 5.488 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.666 4.637 1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.254 6.136 0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.122 5.998 -1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.033 2.693 1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.286 4.937 -1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.193 1.627 0.766 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.131 1.763 -0.287 1.00 0.00 H new ATOM 949 N LEU A 60 -2.483 6.784 -0.902 1.00 0.00 N ATOM 950 CA LEU A 60 -1.247 7.494 -0.592 1.00 0.00 C ATOM 951 C LEU A 60 -1.392 8.319 0.683 1.00 0.00 C ATOM 952 O LEU A 60 -2.407 8.984 0.891 1.00 0.00 O ATOM 953 CB LEU A 60 -0.849 8.406 -1.757 1.00 0.00 C ATOM 954 CG LEU A 60 -1.186 7.867 -3.148 1.00 0.00 C ATOM 955 CD1 LEU A 60 -0.773 8.865 -4.219 1.00 0.00 C ATOM 956 CD2 LEU A 60 -0.511 6.524 -3.377 1.00 0.00 C ATOM 0 H LEU A 60 -3.109 7.284 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.465 6.751 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.342 9.370 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.224 8.588 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.265 7.723 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.020 8.466 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.304 9.805 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.301 9.041 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.762 6.156 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.570 6.641 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.856 5.811 -2.628 1.00 0.00 H new ATOM 968 N VAL A 61 -0.371 8.271 1.532 1.00 0.00 N ATOM 969 CA VAL A 61 -0.382 9.015 2.786 1.00 0.00 C ATOM 970 C VAL A 61 0.640 10.147 2.760 1.00 0.00 C ATOM 971 O VAL A 61 1.845 9.906 2.680 1.00 0.00 O ATOM 972 CB VAL A 61 -0.084 8.098 3.987 1.00 0.00 C ATOM 973 CG1 VAL A 61 -0.284 8.849 5.295 1.00 0.00 C ATOM 974 CG2 VAL A 61 -0.956 6.854 3.941 1.00 0.00 C ATOM 0 H VAL A 61 0.475 7.724 1.374 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.383 9.433 2.898 1.00 0.00 H new ATOM 0 HB VAL A 61 0.958 7.784 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.069 8.185 6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.389 9.706 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.316 9.195 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.730 6.219 4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.006 7.144 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.758 6.305 3.021 1.00 0.00 H new ATOM 984 N ASP A 62 0.151 11.381 2.829 1.00 0.00 N ATOM 985 CA ASP A 62 1.023 12.549 2.814 1.00 0.00 C ATOM 986 C ASP A 62 1.574 12.836 4.207 1.00 0.00 C ATOM 987 O ASP A 62 0.884 13.410 5.052 1.00 0.00 O ATOM 988 CB ASP A 62 0.264 13.771 2.291 1.00 0.00 C ATOM 989 CG ASP A 62 1.172 14.964 2.068 1.00 0.00 C ATOM 990 OD1 ASP A 62 2.282 14.981 2.641 1.00 0.00 O ATOM 991 OD2 ASP A 62 0.775 15.880 1.319 1.00 0.00 O ATOM 0 H ASP A 62 -0.844 11.597 2.896 1.00 0.00 H new ATOM 0 HA ASP A 62 1.860 12.337 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.231 13.514 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.518 14.041 3.001 1.00 0.00 H new ATOM 996 N ILE A 63 2.821 12.438 4.439 1.00 0.00 N ATOM 997 CA ILE A 63 3.467 12.653 5.730 1.00 0.00 C ATOM 998 C ILE A 63 4.010 14.077 5.841 1.00 0.00 C ATOM 999 O ILE A 63 5.196 14.283 6.099 1.00 0.00 O ATOM 1000 CB ILE A 63 4.614 11.647 5.957 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.179 11.792 7.372 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.709 11.840 4.917 1.00 0.00 C ATOM 1003 CD1 ILE A 63 4.606 10.796 8.357 1.00 0.00 C ATOM 0 H ILE A 63 3.405 11.965 3.750 1.00 0.00 H new ATOM 0 HA ILE A 63 2.709 12.500 6.498 1.00 0.00 H new ATOM 0 HB ILE A 63 4.216 10.638 5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.262 11.673 7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.981 12.802 7.732 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.509 11.121 5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.296 11.685 3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.107 12.852 4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.052 10.957 9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.526 10.929 8.422 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.827 9.783 8.020 1.00 0.00 H new ATOM 1015 N THR A 64 3.130 15.053 5.644 1.00 0.00 N ATOM 1016 CA THR A 64 3.508 16.459 5.720 1.00 0.00 C ATOM 1017 C THR A 64 2.266 17.341 5.789 1.00 0.00 C ATOM 1018 O THR A 64 2.206 18.289 6.573 1.00 0.00 O ATOM 1019 CB THR A 64 4.357 16.851 4.508 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.518 16.043 4.424 1.00 0.00 O ATOM 1021 CG2 THR A 64 4.807 18.296 4.535 1.00 0.00 C ATOM 0 H THR A 64 2.145 14.895 5.430 1.00 0.00 H new ATOM 0 HA THR A 64 4.097 16.606 6.625 1.00 0.00 H new ATOM 0 HB THR A 64 3.710 16.703 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.689 15.625 5.294 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.404 18.508 3.648 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.934 18.949 4.549 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.407 18.474 5.427 1.00 0.00 H new ATOM 1029 N GLU A 65 1.277 17.017 4.964 1.00 0.00 N ATOM 1030 CA GLU A 65 0.031 17.773 4.926 1.00 0.00 C ATOM 1031 C GLU A 65 -0.955 17.245 5.962 1.00 0.00 C ATOM 1032 O GLU A 65 -1.703 18.011 6.570 1.00 0.00 O ATOM 1033 CB GLU A 65 -0.591 17.701 3.530 1.00 0.00 C ATOM 1034 CG GLU A 65 -1.876 18.502 3.394 1.00 0.00 C ATOM 1035 CD GLU A 65 -2.291 18.696 1.950 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -2.787 17.727 1.338 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -2.121 19.820 1.430 1.00 0.00 O ATOM 0 H GLU A 65 1.314 16.234 4.311 1.00 0.00 H new ATOM 0 HA GLU A 65 0.257 18.813 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.132 18.064 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.795 16.659 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.676 17.994 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.744 19.476 3.864 1.00 0.00 H new ATOM 1044 N VAL A 66 -0.953 15.930 6.160 1.00 0.00 N ATOM 1045 CA VAL A 66 -1.850 15.302 7.122 1.00 0.00 C ATOM 1046 C VAL A 66 -1.319 15.432 8.551 1.00 0.00 C ATOM 1047 O VAL A 66 -2.059 15.815 9.457 1.00 0.00 O ATOM 1048 CB VAL A 66 -2.078 13.812 6.800 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -3.137 13.222 7.718 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -2.470 13.634 5.340 1.00 0.00 C ATOM 0 H VAL A 66 -0.341 15.280 5.667 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.801 15.829 7.046 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.144 13.277 6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.284 12.170 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.812 13.313 8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.076 13.760 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.627 12.576 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.390 14.183 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.674 14.016 4.700 1.00 0.00 H new ATOM 1060 N PRO A 67 -0.029 15.115 8.779 1.00 0.00 N ATOM 1061 CA PRO A 67 0.574 15.203 10.108 1.00 0.00 C ATOM 1062 C PRO A 67 1.004 16.623 10.459 1.00 0.00 C ATOM 1063 O PRO A 67 1.698 17.281 9.684 1.00 0.00 O ATOM 1064 CB PRO A 67 1.789 14.289 9.987 1.00 0.00 C ATOM 1065 CG PRO A 67 2.205 14.412 8.562 1.00 0.00 C ATOM 1066 CD PRO A 67 0.942 14.645 7.769 1.00 0.00 C ATOM 0 HA PRO A 67 -0.121 14.919 10.899 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.587 14.598 10.662 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.538 13.259 10.240 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.904 15.238 8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.713 13.508 8.226 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.094 15.387 6.985 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.601 13.731 7.282 1.00 0.00 H new ATOM 1235 N ASP A 77 13.389 10.096 4.962 1.00 0.00 N ATOM 1236 CA ASP A 77 13.591 8.993 4.030 1.00 0.00 C ATOM 1237 C ASP A 77 12.853 9.245 2.718 1.00 0.00 C ATOM 1238 O ASP A 77 11.826 9.924 2.695 1.00 0.00 O ATOM 1239 CB ASP A 77 13.117 7.679 4.652 1.00 0.00 C ATOM 1240 CG ASP A 77 14.200 6.999 5.466 1.00 0.00 C ATOM 1241 OD1 ASP A 77 14.987 6.227 4.880 1.00 0.00 O ATOM 1242 OD2 ASP A 77 14.261 7.239 6.691 1.00 0.00 O ATOM 0 HA ASP A 77 14.658 8.922 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.255 7.873 5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.784 7.006 3.862 1.00 0.00 H new ATOM 1247 N PRO A 78 13.368 8.698 1.604 1.00 0.00 N ATOM 1248 CA PRO A 78 12.751 8.868 0.283 1.00 0.00 C ATOM 1249 C PRO A 78 11.274 8.491 0.282 1.00 0.00 C ATOM 1250 O PRO A 78 10.411 9.324 0.006 1.00 0.00 O ATOM 1251 CB PRO A 78 13.548 7.911 -0.608 1.00 0.00 C ATOM 1252 CG PRO A 78 14.868 7.773 0.069 1.00 0.00 C ATOM 1253 CD PRO A 78 14.590 7.874 1.542 1.00 0.00 C ATOM 0 HA PRO A 78 12.781 9.905 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.048 6.947 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.660 8.310 -1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.334 6.819 -0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.555 8.555 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.436 6.892 1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.417 8.342 2.076 1.00 0.00 H new ATOM 1261 N CYS A 79 10.990 7.230 0.593 1.00 0.00 N ATOM 1262 CA CYS A 79 9.617 6.741 0.627 1.00 0.00 C ATOM 1263 C CYS A 79 9.554 5.341 1.229 1.00 0.00 C ATOM 1264 O CYS A 79 10.556 4.818 1.715 1.00 0.00 O ATOM 1265 CB CYS A 79 9.022 6.732 -0.784 1.00 0.00 C ATOM 1266 SG CYS A 79 7.985 8.166 -1.155 1.00 0.00 S ATOM 0 H CYS A 79 11.693 6.528 0.825 1.00 0.00 H new ATOM 0 HA CYS A 79 9.032 7.413 1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 79 9.834 6.687 -1.509 1.00 0.00 H new ATOM 0 HB3 CYS A 79 8.430 5.826 -0.912 1.00 0.00 H new ATOM 0 HG CYS A 79 6.878 8.088 -0.478 1.00 0.00 H new ATOM 1272 N THR A 80 8.370 4.739 1.195 1.00 0.00 N ATOM 1273 CA THR A 80 8.176 3.399 1.736 1.00 0.00 C ATOM 1274 C THR A 80 6.747 2.919 1.505 1.00 0.00 C ATOM 1275 O THR A 80 5.809 3.715 1.490 1.00 0.00 O ATOM 1276 CB THR A 80 8.498 3.380 3.231 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.407 2.063 3.747 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.581 4.258 4.053 1.00 0.00 C ATOM 0 H THR A 80 7.529 5.159 0.798 1.00 0.00 H new ATOM 0 HA THR A 80 8.854 2.723 1.216 1.00 0.00 H new ATOM 0 HB THR A 80 9.514 3.768 3.312 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.494 1.897 4.062 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.865 4.198 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.665 5.290 3.713 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.552 3.920 3.935 1.00 0.00 H new ATOM 1286 N VAL A 81 6.590 1.611 1.327 1.00 0.00 N ATOM 1287 CA VAL A 81 5.275 1.023 1.096 1.00 0.00 C ATOM 1288 C VAL A 81 4.927 0.016 2.189 1.00 0.00 C ATOM 1289 O VAL A 81 5.799 -0.683 2.703 1.00 0.00 O ATOM 1290 CB VAL A 81 5.207 0.321 -0.274 1.00 0.00 C ATOM 1291 CG1 VAL A 81 3.793 -0.161 -0.560 1.00 0.00 C ATOM 1292 CG2 VAL A 81 5.694 1.252 -1.375 1.00 0.00 C ATOM 0 H VAL A 81 7.357 0.938 1.338 1.00 0.00 H new ATOM 0 HA VAL A 81 4.553 1.840 1.113 1.00 0.00 H new ATOM 0 HB VAL A 81 5.863 -0.549 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.766 -0.654 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.485 -0.866 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.113 0.691 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.639 0.740 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.066 2.143 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.726 1.541 -1.177 1.00 0.00 H new ATOM 1302 N MET A 82 3.646 -0.052 2.537 1.00 0.00 N ATOM 1303 CA MET A 82 3.184 -0.974 3.569 1.00 0.00 C ATOM 1304 C MET A 82 1.786 -1.493 3.251 1.00 0.00 C ATOM 1305 O MET A 82 0.917 -0.739 2.814 1.00 0.00 O ATOM 1306 CB MET A 82 3.187 -0.287 4.936 1.00 0.00 C ATOM 1307 CG MET A 82 2.589 1.112 4.915 1.00 0.00 C ATOM 1308 SD MET A 82 2.991 2.060 6.395 1.00 0.00 S ATOM 1309 CE MET A 82 2.664 3.727 5.828 1.00 0.00 C ATOM 0 H MET A 82 2.911 0.519 2.121 1.00 0.00 H new ATOM 0 HA MET A 82 3.869 -1.822 3.595 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.629 -0.901 5.643 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.212 -0.230 5.302 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.952 1.645 4.037 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.506 1.039 4.818 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.597 4.290 5.797 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.228 3.693 4.830 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.968 4.214 6.511 1.00 0.00 H new ATOM 1319 N PHE A 83 1.576 -2.787 3.474 1.00 0.00 N ATOM 1320 CA PHE A 83 0.282 -3.408 3.211 1.00 0.00 C ATOM 1321 C PHE A 83 -0.559 -3.469 4.482 1.00 0.00 C ATOM 1322 O PHE A 83 -0.047 -3.754 5.564 1.00 0.00 O ATOM 1323 CB PHE A 83 0.477 -4.818 2.648 1.00 0.00 C ATOM 1324 CG PHE A 83 0.727 -4.842 1.167 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.798 -4.154 0.620 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -0.110 -5.554 0.321 1.00 0.00 C ATOM 1327 CE1 PHE A 83 2.031 -4.175 -0.742 1.00 0.00 C ATOM 1328 CE2 PHE A 83 0.117 -5.577 -1.041 1.00 0.00 C ATOM 1329 CZ PHE A 83 1.189 -4.887 -1.573 1.00 0.00 C ATOM 0 H PHE A 83 2.285 -3.425 3.836 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.245 -2.799 2.476 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.316 -5.292 3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.408 -5.415 2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.459 -3.595 1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.949 -6.096 0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.870 -3.635 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.543 -6.134 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.368 -4.904 -2.638 1.00 0.00 H new ATOM 1339 N PHE A 84 -1.853 -3.198 4.343 1.00 0.00 N ATOM 1340 CA PHE A 84 -2.765 -3.221 5.481 1.00 0.00 C ATOM 1341 C PHE A 84 -3.812 -4.319 5.317 1.00 0.00 C ATOM 1342 O PHE A 84 -4.546 -4.348 4.329 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.451 -1.862 5.639 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.817 -0.988 6.684 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -1.612 -0.353 6.437 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -3.428 -0.803 7.913 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.027 0.451 7.396 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -2.849 -0.001 8.878 1.00 0.00 C ATOM 1349 CZ PHE A 84 -1.646 0.628 8.618 1.00 0.00 C ATOM 0 H PHE A 84 -2.293 -2.960 3.454 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.183 -3.432 6.378 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.433 -1.341 4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.498 -2.020 5.896 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.123 -0.488 5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.369 -1.292 8.120 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.087 0.941 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.335 0.134 9.833 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.191 1.257 9.369 1.00 0.00 H new ATOM 1359 N PHE A 85 -3.874 -5.221 6.291 1.00 0.00 N ATOM 1360 CA PHE A 85 -4.829 -6.321 6.256 1.00 0.00 C ATOM 1361 C PHE A 85 -5.277 -6.696 7.665 1.00 0.00 C ATOM 1362 O PHE A 85 -4.514 -6.573 8.623 1.00 0.00 O ATOM 1363 CB PHE A 85 -4.212 -7.537 5.565 1.00 0.00 C ATOM 1364 CG PHE A 85 -5.137 -8.718 5.480 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.422 -8.573 4.981 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -4.723 -9.970 5.902 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.275 -9.656 4.903 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -5.572 -11.058 5.827 1.00 0.00 C ATOM 1369 CZ PHE A 85 -6.850 -10.901 5.326 1.00 0.00 C ATOM 0 H PHE A 85 -3.273 -5.211 7.115 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.702 -5.994 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.905 -7.254 4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.311 -7.831 6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.760 -7.602 4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.725 -10.098 6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.274 -9.530 4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.237 -12.029 6.159 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.515 -11.749 5.265 1.00 0.00 H new ATOM 1379 N ARG A 86 -6.519 -7.154 7.783 1.00 0.00 N ATOM 1380 CA ARG A 86 -7.072 -7.547 9.075 1.00 0.00 C ATOM 1381 C ARG A 86 -6.940 -6.420 10.094 1.00 0.00 C ATOM 1382 O ARG A 86 -6.820 -6.665 11.295 1.00 0.00 O ATOM 1383 CB ARG A 86 -6.367 -8.803 9.593 1.00 0.00 C ATOM 1384 CG ARG A 86 -7.167 -9.564 10.636 1.00 0.00 C ATOM 1385 CD ARG A 86 -6.339 -10.662 11.282 1.00 0.00 C ATOM 1386 NE ARG A 86 -5.127 -10.138 11.906 1.00 0.00 N ATOM 1387 CZ ARG A 86 -4.157 -10.905 12.400 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -4.253 -12.227 12.346 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -3.088 -10.347 12.951 1.00 0.00 N ATOM 0 H ARG A 86 -7.162 -7.262 6.999 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.132 -7.762 8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.159 -9.465 8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.405 -8.519 10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.518 -8.873 11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.051 -10.000 10.171 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.940 -11.175 12.032 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.068 -11.402 10.529 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.017 -9.126 11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.074 -12.662 11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.506 -12.809 12.726 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.009 -9.331 12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.344 -10.934 13.330 1.00 0.00 H new ATOM 1403 N ASN A 87 -6.961 -5.183 9.607 1.00 0.00 N ATOM 1404 CA ASN A 87 -6.842 -4.018 10.476 1.00 0.00 C ATOM 1405 C ASN A 87 -5.512 -4.028 11.221 1.00 0.00 C ATOM 1406 O ASN A 87 -5.416 -3.544 12.349 1.00 0.00 O ATOM 1407 CB ASN A 87 -8.000 -3.978 11.475 1.00 0.00 C ATOM 1408 CG ASN A 87 -9.214 -3.255 10.925 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -10.212 -3.879 10.567 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -9.133 -1.931 10.856 1.00 0.00 N ATOM 0 H ASN A 87 -7.059 -4.962 8.616 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.881 -3.126 9.851 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.279 -4.997 11.745 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.670 -3.485 12.389 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -9.919 -1.390 10.495 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.285 -1.455 11.164 1.00 0.00 H new ATOM 1417 N LYS A 88 -4.486 -4.584 10.583 1.00 0.00 N ATOM 1418 CA LYS A 88 -3.160 -4.659 11.185 1.00 0.00 C ATOM 1419 C LYS A 88 -2.085 -4.251 10.183 1.00 0.00 C ATOM 1420 O LYS A 88 -2.389 -3.859 9.057 1.00 0.00 O ATOM 1421 CB LYS A 88 -2.888 -6.075 11.695 1.00 0.00 C ATOM 1422 CG LYS A 88 -3.327 -6.299 13.133 1.00 0.00 C ATOM 1423 CD LYS A 88 -2.174 -6.110 14.104 1.00 0.00 C ATOM 1424 CE LYS A 88 -2.549 -6.556 15.508 1.00 0.00 C ATOM 1425 NZ LYS A 88 -1.388 -7.142 16.234 1.00 0.00 N ATOM 0 H LYS A 88 -4.548 -4.989 9.649 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.130 -3.966 12.026 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.402 -6.789 11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.821 -6.283 11.613 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.130 -5.605 13.381 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.731 -7.306 13.238 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.310 -6.678 13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.880 -5.061 14.121 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.935 -5.704 16.068 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.351 -7.292 15.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.686 -7.433 17.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.035 -7.970 15.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.632 -6.432 16.310 1.00 0.00 H new ATOM 1439 N HIS A 89 -0.827 -4.345 10.602 1.00 0.00 N ATOM 1440 CA HIS A 89 0.294 -3.986 9.741 1.00 0.00 C ATOM 1441 C HIS A 89 0.851 -5.215 9.031 1.00 0.00 C ATOM 1442 O HIS A 89 1.045 -6.264 9.645 1.00 0.00 O ATOM 1443 CB HIS A 89 1.396 -3.311 10.558 1.00 0.00 C ATOM 1444 CG HIS A 89 2.238 -2.364 9.762 1.00 0.00 C ATOM 1445 ND1 HIS A 89 3.524 -2.016 10.118 1.00 0.00 N ATOM 1446 CD2 HIS A 89 1.971 -1.689 8.618 1.00 0.00 C ATOM 1447 CE1 HIS A 89 4.012 -1.168 9.230 1.00 0.00 C ATOM 1448 NE2 HIS A 89 3.090 -0.954 8.309 1.00 0.00 N ATOM 0 H HIS A 89 -0.559 -4.667 11.532 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.069 -3.287 8.987 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.942 -2.770 11.388 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.038 -4.079 10.991 1.00 0.00 H new ATOM 0 HD1 HIS A 89 4.021 -2.360 10.939 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.050 -1.722 8.054 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.997 -0.725 9.253 1.00 0.00 H new ATOM 1457 N ILE A 90 1.106 -5.079 7.734 1.00 0.00 N ATOM 1458 CA ILE A 90 1.642 -6.178 6.939 1.00 0.00 C ATOM 1459 C ILE A 90 2.948 -5.779 6.261 1.00 0.00 C ATOM 1460 O ILE A 90 3.071 -4.678 5.727 1.00 0.00 O ATOM 1461 CB ILE A 90 0.637 -6.635 5.864 1.00 0.00 C ATOM 1462 CG1 ILE A 90 -0.745 -6.848 6.483 1.00 0.00 C ATOM 1463 CG2 ILE A 90 1.125 -7.909 5.192 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -0.769 -7.915 7.556 1.00 0.00 C ATOM 0 H ILE A 90 0.950 -4.218 7.211 1.00 0.00 H new ATOM 0 HA ILE A 90 1.829 -7.004 7.625 1.00 0.00 H new ATOM 0 HB ILE A 90 0.558 -5.855 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.092 -5.907 6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.449 -7.120 5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.405 -8.220 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.090 -7.725 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.230 -8.697 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.781 -8.012 7.950 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.453 -8.867 7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.091 -7.636 8.362 1.00 0.00 H new ATOM 1476 N MET A 91 3.922 -6.684 6.287 1.00 0.00 N ATOM 1477 CA MET A 91 5.220 -6.427 5.676 1.00 0.00 C ATOM 1478 C MET A 91 5.298 -7.047 4.284 1.00 0.00 C ATOM 1479 O MET A 91 5.646 -8.218 4.134 1.00 0.00 O ATOM 1480 CB MET A 91 6.342 -6.980 6.557 1.00 0.00 C ATOM 1481 CG MET A 91 6.528 -6.214 7.857 1.00 0.00 C ATOM 1482 SD MET A 91 8.012 -6.711 8.750 1.00 0.00 S ATOM 1483 CE MET A 91 8.629 -5.121 9.293 1.00 0.00 C ATOM 0 H MET A 91 3.836 -7.601 6.725 1.00 0.00 H new ATOM 0 HA MET A 91 5.341 -5.348 5.581 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.131 -8.024 6.787 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.276 -6.960 5.996 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.579 -5.147 7.641 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.657 -6.369 8.493 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.548 -5.262 9.862 1.00 0.00 H new ATOM 0 HE2 MET A 91 8.832 -4.494 8.425 1.00 0.00 H new ATOM 0 HE3 MET A 91 7.883 -4.637 9.923 1.00 0.00 H new ATOM 1493 N ILE A 92 4.974 -6.253 3.269 1.00 0.00 N ATOM 1494 CA ILE A 92 5.008 -6.724 1.889 1.00 0.00 C ATOM 1495 C ILE A 92 5.568 -5.653 0.959 1.00 0.00 C ATOM 1496 O ILE A 92 5.453 -4.458 1.232 1.00 0.00 O ATOM 1497 CB ILE A 92 3.606 -7.133 1.399 1.00 0.00 C ATOM 1498 CG1 ILE A 92 2.920 -8.027 2.432 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.702 -7.842 0.057 1.00 0.00 C ATOM 1500 CD1 ILE A 92 3.627 -9.346 2.655 1.00 0.00 C ATOM 0 H ILE A 92 4.685 -5.281 3.376 1.00 0.00 H new ATOM 0 HA ILE A 92 5.659 -7.598 1.868 1.00 0.00 H new ATOM 0 HB ILE A 92 3.005 -6.233 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.859 -7.492 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.897 -8.222 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.704 -8.125 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.154 -7.174 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.317 -8.736 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.085 -9.928 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.665 -9.901 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.641 -9.160 3.008 1.00 0.00 H new ATOM 1512 N ASP A 93 6.173 -6.090 -0.141 1.00 0.00 N ATOM 1513 CA ASP A 93 6.751 -5.168 -1.112 1.00 0.00 C ATOM 1514 C ASP A 93 6.092 -5.332 -2.478 1.00 0.00 C ATOM 1515 O ASP A 93 5.830 -6.451 -2.921 1.00 0.00 O ATOM 1516 CB ASP A 93 8.260 -5.400 -1.232 1.00 0.00 C ATOM 1517 CG ASP A 93 8.971 -5.294 0.104 1.00 0.00 C ATOM 1518 OD1 ASP A 93 8.290 -5.367 1.148 1.00 0.00 O ATOM 1519 OD2 ASP A 93 10.211 -5.139 0.104 1.00 0.00 O ATOM 0 H ASP A 93 6.276 -7.076 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 93 6.572 -4.152 -0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.440 -6.387 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.683 -4.672 -1.924 1.00 0.00 H new ATOM 1524 N LEU A 94 5.829 -4.211 -3.142 1.00 0.00 N ATOM 1525 CA LEU A 94 5.202 -4.233 -4.459 1.00 0.00 C ATOM 1526 C LEU A 94 6.252 -4.369 -5.558 1.00 0.00 C ATOM 1527 O LEU A 94 6.083 -5.143 -6.499 1.00 0.00 O ATOM 1528 CB LEU A 94 4.375 -2.964 -4.678 1.00 0.00 C ATOM 1529 CG LEU A 94 5.168 -1.656 -4.634 1.00 0.00 C ATOM 1530 CD1 LEU A 94 5.706 -1.309 -6.015 1.00 0.00 C ATOM 1531 CD2 LEU A 94 4.301 -0.526 -4.098 1.00 0.00 C ATOM 0 H LEU A 94 6.040 -3.277 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 94 4.540 -5.098 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.877 -3.036 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.594 -2.923 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 94 6.015 -1.789 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.267 -0.376 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.362 -2.108 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.875 -1.195 -6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.880 0.397 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.435 -0.393 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.966 -0.771 -3.090 1.00 0.00 H new ATOM 1543 N GLY A 95 7.335 -3.610 -5.430 1.00 0.00 N ATOM 1544 CA GLY A 95 8.396 -3.660 -6.418 1.00 0.00 C ATOM 1545 C GLY A 95 9.603 -4.438 -5.933 1.00 0.00 C ATOM 1546 O GLY A 95 9.602 -5.669 -5.941 1.00 0.00 O ATOM 0 H GLY A 95 7.497 -2.961 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.016 -4.117 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.700 -2.645 -6.672 1.00 0.00 H new ATOM 1613 N LYS A 101 12.235 -1.917 4.245 1.00 0.00 N ATOM 1614 CA LYS A 101 11.158 -1.091 3.717 1.00 0.00 C ATOM 1615 C LYS A 101 11.290 -0.908 2.207 1.00 0.00 C ATOM 1616 O LYS A 101 12.385 -1.004 1.654 1.00 0.00 O ATOM 1617 CB LYS A 101 11.150 0.274 4.408 1.00 0.00 C ATOM 1618 CG LYS A 101 10.565 0.243 5.810 1.00 0.00 C ATOM 1619 CD LYS A 101 9.048 0.151 5.779 1.00 0.00 C ATOM 1620 CE LYS A 101 8.514 -0.649 6.957 1.00 0.00 C ATOM 1621 NZ LYS A 101 7.134 -0.232 7.331 1.00 0.00 N ATOM 0 HA LYS A 101 10.216 -1.602 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.171 0.653 4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.579 0.976 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.971 -0.609 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.865 1.141 6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.621 1.154 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.730 -0.316 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.518 -1.710 6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.177 -0.521 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.806 -0.801 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.135 0.774 7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.496 -0.378 6.523 1.00 0.00 H new ATOM 1635 N ILE A 102 10.167 -0.643 1.548 1.00 0.00 N ATOM 1636 CA ILE A 102 10.157 -0.447 0.103 1.00 0.00 C ATOM 1637 C ILE A 102 10.371 1.020 -0.253 1.00 0.00 C ATOM 1638 O ILE A 102 9.443 1.708 -0.682 1.00 0.00 O ATOM 1639 CB ILE A 102 8.834 -0.931 -0.521 1.00 0.00 C ATOM 1640 CG1 ILE A 102 8.498 -2.341 -0.032 1.00 0.00 C ATOM 1641 CG2 ILE A 102 8.922 -0.896 -2.040 1.00 0.00 C ATOM 1642 CD1 ILE A 102 7.441 -2.370 1.050 1.00 0.00 C ATOM 0 H ILE A 102 9.252 -0.559 1.991 1.00 0.00 H new ATOM 0 HA ILE A 102 10.977 -1.039 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 102 8.034 -0.260 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.157 -2.938 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.406 -2.812 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.980 -1.241 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.118 0.124 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.731 -1.547 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.254 -3.402 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.787 -1.800 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.519 -1.929 0.670 1.00 0.00 H new ATOM 1654 N ASN A 103 11.599 1.494 -0.075 1.00 0.00 N ATOM 1655 CA ASN A 103 11.934 2.879 -0.381 1.00 0.00 C ATOM 1656 C ASN A 103 12.036 3.091 -1.887 1.00 0.00 C ATOM 1657 O ASN A 103 11.678 4.150 -2.402 1.00 0.00 O ATOM 1658 CB ASN A 103 13.251 3.270 0.293 1.00 0.00 C ATOM 1659 CG ASN A 103 13.192 3.132 1.801 1.00 0.00 C ATOM 1660 OD1 ASN A 103 13.309 2.032 2.342 1.00 0.00 O ATOM 1661 ND2 ASN A 103 13.008 4.252 2.492 1.00 0.00 N ATOM 0 H ASN A 103 12.378 0.940 0.279 1.00 0.00 H new ATOM 0 HA ASN A 103 11.137 3.514 0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.054 2.644 -0.095 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.496 4.300 0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.959 4.221 3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.916 5.143 2.004 1.00 0.00 H new ATOM 1668 N TRP A 104 12.525 2.073 -2.587 1.00 0.00 N ATOM 1669 CA TRP A 104 12.673 2.140 -4.036 1.00 0.00 C ATOM 1670 C TRP A 104 11.743 1.143 -4.718 1.00 0.00 C ATOM 1671 O TRP A 104 11.615 0.000 -4.279 1.00 0.00 O ATOM 1672 CB TRP A 104 14.123 1.861 -4.437 1.00 0.00 C ATOM 1673 CG TRP A 104 14.572 2.650 -5.627 1.00 0.00 C ATOM 1674 CD1 TRP A 104 14.521 2.262 -6.935 1.00 0.00 C ATOM 1675 CD2 TRP A 104 15.146 3.963 -5.619 1.00 0.00 C ATOM 1676 NE1 TRP A 104 15.026 3.253 -7.741 1.00 0.00 N ATOM 1677 CE2 TRP A 104 15.416 4.307 -6.958 1.00 0.00 C ATOM 1678 CE3 TRP A 104 15.455 4.880 -4.612 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 15.981 5.530 -7.313 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 16.016 6.094 -4.965 1.00 0.00 C ATOM 1681 CH2 TRP A 104 16.273 6.409 -6.305 1.00 0.00 C ATOM 0 H TRP A 104 12.826 1.190 -2.173 1.00 0.00 H new ATOM 0 HA TRP A 104 12.404 3.145 -4.360 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.775 2.086 -3.593 1.00 0.00 H new ATOM 0 HB3 TRP A 104 14.235 0.798 -4.651 1.00 0.00 H new ATOM 0 HD1 TRP A 104 14.139 1.314 -7.285 1.00 0.00 H new ATOM 0 HE1 TRP A 104 15.099 3.211 -8.758 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.259 4.645 -3.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 16.181 5.776 -8.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.260 6.811 -4.195 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.711 7.366 -6.548 1.00 0.00 H new ATOM 1692 N ALA A 105 11.093 1.581 -5.791 1.00 0.00 N ATOM 1693 CA ALA A 105 10.173 0.723 -6.527 1.00 0.00 C ATOM 1694 C ALA A 105 10.365 0.867 -8.033 1.00 0.00 C ATOM 1695 O ALA A 105 10.516 1.975 -8.547 1.00 0.00 O ATOM 1696 CB ALA A 105 8.736 1.041 -6.143 1.00 0.00 C ATOM 0 H ALA A 105 11.186 2.524 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 105 10.390 -0.311 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.059 0.393 -6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.600 0.875 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 105 8.518 2.083 -6.379 1.00 0.00 H new ATOM 1702 N MET A 106 10.357 -0.263 -8.733 1.00 0.00 N ATOM 1703 CA MET A 106 10.529 -0.270 -10.182 1.00 0.00 C ATOM 1704 C MET A 106 10.434 -1.691 -10.729 1.00 0.00 C ATOM 1705 O MET A 106 11.435 -2.279 -11.140 1.00 0.00 O ATOM 1706 CB MET A 106 11.876 0.348 -10.562 1.00 0.00 C ATOM 1707 CG MET A 106 12.123 0.396 -12.061 1.00 0.00 C ATOM 1708 SD MET A 106 13.261 1.712 -12.536 1.00 0.00 S ATOM 1709 CE MET A 106 13.533 1.317 -14.262 1.00 0.00 C ATOM 0 H MET A 106 10.233 -1.187 -8.320 1.00 0.00 H new ATOM 0 HA MET A 106 9.730 0.326 -10.623 1.00 0.00 H new ATOM 0 HB2 MET A 106 11.928 1.360 -10.161 1.00 0.00 H new ATOM 0 HB3 MET A 106 12.675 -0.223 -10.089 1.00 0.00 H new ATOM 0 HG2 MET A 106 12.525 -0.562 -12.390 1.00 0.00 H new ATOM 0 HG3 MET A 106 11.174 0.538 -12.577 1.00 0.00 H new ATOM 0 HE1 MET A 106 14.218 2.044 -14.698 1.00 0.00 H new ATOM 0 HE2 MET A 106 13.963 0.319 -14.343 1.00 0.00 H new ATOM 0 HE3 MET A 106 12.583 1.348 -14.796 1.00 0.00 H new ATOM 1719 N GLU A 107 9.223 -2.241 -10.726 1.00 0.00 N ATOM 1720 CA GLU A 107 8.998 -3.596 -11.217 1.00 0.00 C ATOM 1721 C GLU A 107 7.825 -3.651 -12.196 1.00 0.00 C ATOM 1722 O GLU A 107 7.396 -4.734 -12.596 1.00 0.00 O ATOM 1723 CB GLU A 107 8.733 -4.539 -10.046 1.00 0.00 C ATOM 1724 CG GLU A 107 9.997 -5.063 -9.385 1.00 0.00 C ATOM 1725 CD GLU A 107 10.943 -5.721 -10.370 1.00 0.00 C ATOM 1726 OE1 GLU A 107 11.726 -4.994 -11.018 1.00 0.00 O ATOM 1727 OE2 GLU A 107 10.902 -6.963 -10.493 1.00 0.00 O ATOM 0 H GLU A 107 8.384 -1.769 -10.389 1.00 0.00 H new ATOM 0 HA GLU A 107 9.897 -3.911 -11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.133 -4.018 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.141 -5.384 -10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.511 -4.240 -8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.726 -5.782 -8.612 1.00 0.00 H new ATOM 1734 N ASP A 108 7.311 -2.482 -12.576 1.00 0.00 N ATOM 1735 CA ASP A 108 6.189 -2.397 -13.508 1.00 0.00 C ATOM 1736 C ASP A 108 5.077 -3.380 -13.126 1.00 0.00 C ATOM 1737 O ASP A 108 4.926 -3.727 -11.955 1.00 0.00 O ATOM 1738 CB ASP A 108 6.674 -2.646 -14.942 1.00 0.00 C ATOM 1739 CG ASP A 108 7.014 -4.102 -15.203 1.00 0.00 C ATOM 1740 OD1 ASP A 108 8.173 -4.496 -14.953 1.00 0.00 O ATOM 1741 OD2 ASP A 108 6.122 -4.848 -15.658 1.00 0.00 O ATOM 0 H ASP A 108 7.655 -1.579 -12.251 1.00 0.00 H new ATOM 0 HA ASP A 108 5.771 -1.392 -13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.902 -2.327 -15.642 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.554 -2.032 -15.135 1.00 0.00 H new ATOM 1746 N LYS A 109 4.301 -3.826 -14.114 1.00 0.00 N ATOM 1747 CA LYS A 109 3.209 -4.763 -13.865 1.00 0.00 C ATOM 1748 C LYS A 109 3.697 -6.212 -13.867 1.00 0.00 C ATOM 1749 O LYS A 109 2.898 -7.140 -13.982 1.00 0.00 O ATOM 1750 CB LYS A 109 2.112 -4.586 -14.917 1.00 0.00 C ATOM 1751 CG LYS A 109 1.581 -3.164 -15.012 1.00 0.00 C ATOM 1752 CD LYS A 109 2.151 -2.432 -16.218 1.00 0.00 C ATOM 1753 CE LYS A 109 1.753 -3.105 -17.521 1.00 0.00 C ATOM 1754 NZ LYS A 109 0.316 -3.496 -17.530 1.00 0.00 N ATOM 0 H LYS A 109 4.409 -3.554 -15.091 1.00 0.00 H new ATOM 0 HA LYS A 109 2.806 -4.544 -12.876 1.00 0.00 H new ATOM 0 HB2 LYS A 109 2.502 -4.885 -15.890 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.286 -5.258 -14.685 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.493 -3.185 -15.079 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.834 -2.619 -14.102 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.798 -1.401 -16.218 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.238 -2.397 -16.143 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.950 -2.429 -18.353 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.371 -3.990 -17.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.078 -3.921 -18.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.139 -4.187 -16.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.274 -2.654 -17.375 1.00 0.00 H new ATOM 1768 N GLN A 110 5.006 -6.407 -13.737 1.00 0.00 N ATOM 1769 CA GLN A 110 5.572 -7.750 -13.722 1.00 0.00 C ATOM 1770 C GLN A 110 5.643 -8.292 -12.299 1.00 0.00 C ATOM 1771 O GLN A 110 4.887 -9.189 -11.928 1.00 0.00 O ATOM 1772 CB GLN A 110 6.965 -7.749 -14.354 1.00 0.00 C ATOM 1773 CG GLN A 110 6.944 -7.854 -15.871 1.00 0.00 C ATOM 1774 CD GLN A 110 8.272 -7.477 -16.499 1.00 0.00 C ATOM 1775 OE1 GLN A 110 8.394 -6.431 -17.136 1.00 0.00 O ATOM 1776 NE2 GLN A 110 9.274 -8.330 -16.322 1.00 0.00 N ATOM 0 H GLN A 110 5.690 -5.657 -13.641 1.00 0.00 H new ATOM 0 HA GLN A 110 4.920 -8.399 -14.306 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.484 -6.834 -14.068 1.00 0.00 H new ATOM 0 HB3 GLN A 110 7.540 -8.581 -13.948 1.00 0.00 H new ATOM 0 HG2 GLN A 110 6.687 -8.874 -16.158 1.00 0.00 H new ATOM 0 HG3 GLN A 110 6.162 -7.205 -16.266 1.00 0.00 H new ATOM 0 HE21 GLN A 110 9.127 -9.185 -15.786 1.00 0.00 H new ATOM 0 HE22 GLN A 110 10.191 -8.130 -16.722 1.00 0.00 H new ATOM 1785 N GLU A 111 6.557 -7.743 -11.504 1.00 0.00 N ATOM 1786 CA GLU A 111 6.722 -8.176 -10.121 1.00 0.00 C ATOM 1787 C GLU A 111 5.577 -7.666 -9.254 1.00 0.00 C ATOM 1788 O GLU A 111 5.103 -8.366 -8.360 1.00 0.00 O ATOM 1789 CB GLU A 111 8.060 -7.687 -9.564 1.00 0.00 C ATOM 1790 CG GLU A 111 8.746 -8.694 -8.655 1.00 0.00 C ATOM 1791 CD GLU A 111 9.571 -9.706 -9.424 1.00 0.00 C ATOM 1792 OE1 GLU A 111 9.006 -10.738 -9.844 1.00 0.00 O ATOM 1793 OE2 GLU A 111 10.783 -9.467 -9.607 1.00 0.00 O ATOM 0 H GLU A 111 7.193 -7.000 -11.793 1.00 0.00 H new ATOM 0 HA GLU A 111 6.710 -9.266 -10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.724 -7.449 -10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.897 -6.762 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 111 9.390 -8.164 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.993 -9.217 -8.065 1.00 0.00 H new ATOM 1800 N MET A 112 5.133 -6.442 -9.526 1.00 0.00 N ATOM 1801 CA MET A 112 4.039 -5.842 -8.772 1.00 0.00 C ATOM 1802 C MET A 112 2.774 -6.684 -8.898 1.00 0.00 C ATOM 1803 O MET A 112 2.106 -6.973 -7.904 1.00 0.00 O ATOM 1804 CB MET A 112 3.770 -4.419 -9.265 1.00 0.00 C ATOM 1805 CG MET A 112 4.927 -3.463 -9.025 1.00 0.00 C ATOM 1806 SD MET A 112 4.398 -1.741 -8.935 1.00 0.00 S ATOM 1807 CE MET A 112 5.978 -0.899 -8.976 1.00 0.00 C ATOM 0 H MET A 112 5.514 -5.848 -10.262 1.00 0.00 H new ATOM 0 HA MET A 112 4.329 -5.804 -7.722 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.550 -4.449 -10.332 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.881 -4.033 -8.766 1.00 0.00 H new ATOM 0 HG2 MET A 112 5.430 -3.733 -8.097 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.657 -3.573 -9.827 1.00 0.00 H new ATOM 0 HE1 MET A 112 5.932 -0.008 -8.349 1.00 0.00 H new ATOM 0 HE2 MET A 112 6.755 -1.566 -8.602 1.00 0.00 H new ATOM 0 HE3 MET A 112 6.210 -0.610 -10.001 1.00 0.00 H new ATOM 1817 N VAL A 113 2.454 -7.079 -10.125 1.00 0.00 N ATOM 1818 CA VAL A 113 1.275 -7.893 -10.384 1.00 0.00 C ATOM 1819 C VAL A 113 1.387 -9.245 -9.686 1.00 0.00 C ATOM 1820 O VAL A 113 0.413 -9.748 -9.125 1.00 0.00 O ATOM 1821 CB VAL A 113 1.064 -8.104 -11.901 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.030 -9.191 -12.168 1.00 0.00 C ATOM 1823 CG2 VAL A 113 0.646 -6.798 -12.559 1.00 0.00 C ATOM 0 H VAL A 113 2.997 -6.847 -10.957 1.00 0.00 H new ATOM 0 HA VAL A 113 0.413 -7.358 -9.985 1.00 0.00 H new ATOM 0 HB VAL A 113 2.010 -8.430 -12.333 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.097 -9.316 -13.243 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.368 -10.130 -11.730 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.922 -8.905 -11.721 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.500 -6.959 -13.627 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.286 -6.448 -12.114 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.423 -6.049 -12.408 1.00 0.00 H new ATOM 1833 N ASP A 114 2.582 -9.826 -9.720 1.00 0.00 N ATOM 1834 CA ASP A 114 2.821 -11.118 -9.086 1.00 0.00 C ATOM 1835 C ASP A 114 2.694 -11.007 -7.569 1.00 0.00 C ATOM 1836 O ASP A 114 2.321 -11.966 -6.895 1.00 0.00 O ATOM 1837 CB ASP A 114 4.208 -11.644 -9.457 1.00 0.00 C ATOM 1838 CG ASP A 114 4.264 -12.176 -10.877 1.00 0.00 C ATOM 1839 OD1 ASP A 114 3.768 -11.483 -11.789 1.00 0.00 O ATOM 1840 OD2 ASP A 114 4.803 -13.285 -11.073 1.00 0.00 O ATOM 0 H ASP A 114 3.399 -9.423 -10.179 1.00 0.00 H new ATOM 0 HA ASP A 114 2.068 -11.819 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.940 -10.844 -9.342 1.00 0.00 H new ATOM 0 HB3 ASP A 114 4.491 -12.436 -8.764 1.00 0.00 H new ATOM 1845 N ILE A 115 3.004 -9.827 -7.040 1.00 0.00 N ATOM 1846 CA ILE A 115 2.921 -9.587 -5.607 1.00 0.00 C ATOM 1847 C ILE A 115 1.468 -9.495 -5.161 1.00 0.00 C ATOM 1848 O ILE A 115 1.014 -10.266 -4.315 1.00 0.00 O ATOM 1849 CB ILE A 115 3.657 -8.283 -5.214 1.00 0.00 C ATOM 1850 CG1 ILE A 115 5.158 -8.545 -5.078 1.00 0.00 C ATOM 1851 CG2 ILE A 115 3.098 -7.702 -3.917 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.505 -9.512 -3.967 1.00 0.00 C ATOM 0 H ILE A 115 3.315 -9.023 -7.585 1.00 0.00 H new ATOM 0 HA ILE A 115 3.402 -10.428 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 115 3.495 -7.551 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 115 5.537 -8.937 -6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 115 5.669 -7.599 -4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.635 -6.787 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.039 -7.478 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.220 -8.426 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 115 6.586 -9.650 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.157 -9.112 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 115 5.023 -10.471 -4.156 1.00 0.00 H new ATOM 1864 N ILE A 116 0.750 -8.536 -5.729 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.648 -8.325 -5.387 1.00 0.00 C ATOM 1866 C ILE A 116 -1.443 -9.625 -5.481 1.00 0.00 C ATOM 1867 O ILE A 116 -2.414 -9.825 -4.751 1.00 0.00 O ATOM 1868 CB ILE A 116 -1.300 -7.266 -6.299 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.459 -5.987 -6.318 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.720 -6.969 -5.838 1.00 0.00 C ATOM 1871 CD1 ILE A 116 -0.180 -5.469 -7.711 1.00 0.00 C ATOM 0 H ILE A 116 1.114 -7.891 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.668 -7.966 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.345 -7.662 -7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.975 -5.214 -5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.488 -6.177 -5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.166 -6.220 -6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.313 -7.883 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.699 -6.592 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.420 -4.561 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.363 -6.225 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.122 -5.247 -8.212 1.00 0.00 H new ATOM 1883 N GLU A 117 -1.022 -10.505 -6.383 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.692 -11.786 -6.571 1.00 0.00 C ATOM 1885 C GLU A 117 -1.313 -12.765 -5.464 1.00 0.00 C ATOM 1886 O GLU A 117 -2.088 -13.658 -5.118 1.00 0.00 O ATOM 1887 CB GLU A 117 -1.335 -12.378 -7.937 1.00 0.00 C ATOM 1888 CG GLU A 117 -2.263 -13.499 -8.376 1.00 0.00 C ATOM 1889 CD GLU A 117 -1.719 -14.279 -9.555 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -1.700 -13.725 -10.675 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -1.311 -15.442 -9.360 1.00 0.00 O ATOM 0 H GLU A 117 -0.220 -10.354 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.768 -11.615 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.358 -11.585 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.313 -12.756 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.426 -14.179 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.234 -13.079 -8.640 1.00 0.00 H new ATOM 1898 N THR A 118 -0.118 -12.592 -4.909 1.00 0.00 N ATOM 1899 CA THR A 118 0.359 -13.459 -3.838 1.00 0.00 C ATOM 1900 C THR A 118 -0.190 -13.005 -2.488 1.00 0.00 C ATOM 1901 O THR A 118 -0.339 -13.806 -1.566 1.00 0.00 O ATOM 1902 CB THR A 118 1.888 -13.472 -3.804 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.414 -12.317 -4.432 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.491 -14.679 -4.490 1.00 0.00 C ATOM 0 H THR A 118 0.537 -11.860 -5.183 1.00 0.00 H new ATOM 0 HA THR A 118 0.001 -14.470 -4.035 1.00 0.00 H new ATOM 0 HB THR A 118 2.152 -13.503 -2.747 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.704 -12.542 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.578 -14.626 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.144 -15.588 -3.999 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.186 -14.693 -5.536 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.488 -11.713 -2.379 1.00 0.00 N ATOM 1913 CA VAL A 119 -1.019 -11.152 -1.142 1.00 0.00 C ATOM 1914 C VAL A 119 -2.530 -11.344 -1.052 1.00 0.00 C ATOM 1915 O VAL A 119 -3.051 -11.761 -0.018 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.698 -9.650 -1.024 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -1.114 -9.118 0.340 1.00 0.00 C ATOM 1918 CG2 VAL A 119 0.782 -9.399 -1.271 1.00 0.00 C ATOM 0 H VAL A 119 -0.370 -11.036 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.538 -11.686 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.267 -9.116 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.879 -8.056 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.186 -9.261 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.575 -9.656 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.990 -8.333 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.372 -9.945 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.047 -9.739 -2.272 1.00 0.00 H new ATOM 1928 N TYR A 120 -3.229 -11.034 -2.140 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.681 -11.170 -2.177 1.00 0.00 C ATOM 1930 C TYR A 120 -5.092 -12.640 -2.083 1.00 0.00 C ATOM 1931 O TYR A 120 -6.130 -12.969 -1.508 1.00 0.00 O ATOM 1932 CB TYR A 120 -5.242 -10.524 -3.456 1.00 0.00 C ATOM 1933 CG TYR A 120 -5.702 -11.509 -4.512 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -4.789 -12.315 -5.179 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -7.046 -11.630 -4.840 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -5.202 -13.213 -6.144 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -7.468 -12.527 -5.802 1.00 0.00 C ATOM 1938 CZ TYR A 120 -6.543 -13.316 -6.452 1.00 0.00 C ATOM 1939 OH TYR A 120 -6.959 -14.210 -7.412 1.00 0.00 O ATOM 0 H TYR A 120 -2.815 -10.688 -3.005 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.100 -10.651 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -6.081 -9.883 -3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -4.476 -9.880 -3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -3.739 -12.239 -4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -7.774 -11.012 -4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -4.479 -13.831 -6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.517 -12.610 -6.044 1.00 0.00 H new ATOM 0 HH TYR A 120 -7.933 -14.158 -7.507 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.270 -13.517 -2.650 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.548 -14.948 -2.629 1.00 0.00 C ATOM 1951 C ARG A 121 -4.147 -15.562 -1.292 1.00 0.00 C ATOM 1952 O ARG A 121 -4.773 -16.511 -0.820 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.805 -15.650 -3.768 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.123 -17.132 -3.880 1.00 0.00 C ATOM 1955 CD ARG A 121 -3.093 -17.860 -4.730 1.00 0.00 C ATOM 1956 NE ARG A 121 -3.692 -18.941 -5.509 1.00 0.00 N ATOM 1957 CZ ARG A 121 -3.097 -19.524 -6.547 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -1.887 -19.134 -6.932 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -3.711 -20.501 -7.200 1.00 0.00 N ATOM 0 H ARG A 121 -3.407 -13.262 -3.129 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.621 -15.085 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.055 -15.161 -4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.732 -15.527 -3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.154 -17.575 -2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.113 -17.261 -4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.612 -17.151 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.313 -18.266 -4.086 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.620 -19.268 -5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.409 -18.384 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.435 -19.584 -7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.639 -20.806 -6.907 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.255 -20.948 -7.996 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.099 -15.014 -0.686 1.00 0.00 N ATOM 1974 CA GLY A 122 -2.633 -15.520 0.591 1.00 0.00 C ATOM 1975 C GLY A 122 -3.391 -14.926 1.762 1.00 0.00 C ATOM 1976 O GLY A 122 -3.737 -15.632 2.709 1.00 0.00 O ATOM 0 H GLY A 122 -2.564 -14.228 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.737 -16.605 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.571 -15.299 0.700 1.00 0.00 H new ATOM 1980 N ALA A 123 -3.650 -13.624 1.696 1.00 0.00 N ATOM 1981 CA ALA A 123 -4.372 -12.934 2.756 1.00 0.00 C ATOM 1982 C ALA A 123 -5.876 -12.952 2.500 1.00 0.00 C ATOM 1983 O ALA A 123 -6.534 -11.911 2.522 1.00 0.00 O ATOM 1984 CB ALA A 123 -3.872 -11.502 2.888 1.00 0.00 C ATOM 0 H ALA A 123 -3.370 -13.026 0.918 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.185 -13.460 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.420 -10.997 3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.809 -11.509 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.029 -10.974 1.948 1.00 0.00 H new ATOM 1990 N ARG A 124 -6.414 -14.141 2.254 1.00 0.00 N ATOM 1991 CA ARG A 124 -7.841 -14.296 1.993 1.00 0.00 C ATOM 1992 C ARG A 124 -8.610 -14.524 3.290 1.00 0.00 C ATOM 1993 O ARG A 124 -8.029 -14.530 4.375 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.081 -15.461 1.032 1.00 0.00 C ATOM 1995 CG ARG A 124 -7.749 -15.134 -0.415 1.00 0.00 C ATOM 1996 CD ARG A 124 -8.684 -15.852 -1.376 1.00 0.00 C ATOM 1997 NE ARG A 124 -8.095 -17.083 -1.897 1.00 0.00 N ATOM 1998 CZ ARG A 124 -8.553 -17.730 -2.966 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -9.606 -17.266 -3.630 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -7.958 -18.842 -3.373 1.00 0.00 N ATOM 0 H ARG A 124 -5.884 -15.012 2.230 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.203 -13.376 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.481 -16.313 1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.126 -15.765 1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.820 -14.058 -0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.718 -15.419 -0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.619 -16.085 -0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.930 -15.189 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.285 -17.470 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.067 -16.410 -3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -9.953 -17.765 -4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.149 -19.202 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -8.309 -19.338 -4.192 1.00 0.00 H new