USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 590 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 24 THR OG1 : rot 37:sc= 0.095 USER MOD Single : A 33 ASN : amide:sc= 0.664 K(o=0.66,f=0) USER MOD Single : A 34 HIS : no HE2:sc= 0.29 K(o=0.29,f=-1.9) USER MOD Single : A 35 ASN : amide:sc= -0.418 K(o=-0.42,f=-5.7!) USER MOD Single : A 36 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0438) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.42) USER MOD Single : A 56 THR OG1 : rot 77:sc= 0.764 USER MOD Single : A 57 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.058) USER MOD Single : A 58 SER OG : rot -51:sc= 0.556 USER MOD Single : A 60 THR OG1 : rot 85:sc= 0.0629 USER MOD Single : A 62 ASN : amide:sc= -0.034 X(o=-0.034,f=-0.034) USER MOD Single : A 63 SER OG : rot -173:sc= -1.35 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 86 THR OG1 : rot 69:sc= -1.11! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -136:sc= -0.137 (180deg=-0.933) USER MOD Single : A 91 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.21) USER MOD Single : A 94 CYS SG : rot 7:sc= 0.223 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 1.445 -8.961 -0.319 1.00 0.00 N ATOM 55 CA THR A 24 1.441 -10.063 0.646 1.00 0.00 C ATOM 56 C THR A 24 1.393 -11.395 -0.122 1.00 0.00 C ATOM 57 O THR A 24 0.370 -11.738 -0.714 1.00 0.00 O ATOM 58 CB THR A 24 0.215 -9.942 1.615 1.00 0.00 C ATOM 59 OG1 THR A 24 0.236 -8.650 2.259 1.00 0.00 O ATOM 60 CG2 THR A 24 0.188 -11.051 2.692 1.00 0.00 C ATOM 0 HA THR A 24 2.348 -10.022 1.250 1.00 0.00 H new ATOM 0 HB THR A 24 -0.684 -10.058 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.552 -7.973 1.624 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.683 -10.915 3.333 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.134 -12.026 2.209 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.094 -10.995 3.295 1.00 0.00 H new ATOM 68 N LEU A 25 2.511 -12.122 -0.128 1.00 0.00 N ATOM 69 CA LEU A 25 2.614 -13.401 -0.836 1.00 0.00 C ATOM 70 C LEU A 25 2.130 -14.525 0.084 1.00 0.00 C ATOM 71 O LEU A 25 2.761 -14.834 1.102 1.00 0.00 O ATOM 72 CB LEU A 25 4.063 -13.642 -1.335 1.00 0.00 C ATOM 73 CG LEU A 25 4.581 -12.622 -2.402 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.028 -12.950 -2.824 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.637 -12.552 -3.638 1.00 0.00 C ATOM 0 H LEU A 25 3.366 -11.844 0.354 1.00 0.00 H new ATOM 0 HA LEU A 25 1.978 -13.382 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.734 -13.617 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.122 -14.645 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 25 4.580 -11.636 -1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.364 -12.226 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.680 -12.905 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.064 -13.952 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.031 -11.833 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.576 -13.535 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.643 -12.239 -3.319 1.00 0.00 H new ATOM 87 N VAL A 26 0.982 -15.100 -0.276 1.00 0.00 N ATOM 88 CA VAL A 26 0.383 -16.226 0.424 1.00 0.00 C ATOM 89 C VAL A 26 0.908 -17.499 -0.240 1.00 0.00 C ATOM 90 O VAL A 26 0.645 -17.756 -1.425 1.00 0.00 O ATOM 91 CB VAL A 26 -1.193 -16.173 0.340 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.853 -17.370 1.078 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.738 -14.812 0.858 1.00 0.00 C ATOM 0 H VAL A 26 0.436 -14.787 -1.078 1.00 0.00 H new ATOM 0 HA VAL A 26 0.648 -16.199 1.481 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.465 -16.260 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.937 -17.295 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.519 -18.304 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.567 -17.352 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.826 -14.805 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.441 -14.673 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.330 -14.003 0.252 1.00 0.00 H new ATOM 103 N ARG A 27 1.687 -18.257 0.535 1.00 0.00 N ATOM 104 CA ARG A 27 2.275 -19.530 0.102 1.00 0.00 C ATOM 105 C ARG A 27 1.164 -20.595 -0.021 1.00 0.00 C ATOM 106 O ARG A 27 0.090 -20.446 0.597 1.00 0.00 O ATOM 107 CB ARG A 27 3.376 -19.951 1.120 1.00 0.00 C ATOM 108 CG ARG A 27 2.848 -20.311 2.527 1.00 0.00 C ATOM 109 CD ARG A 27 3.923 -20.289 3.631 1.00 0.00 C ATOM 110 NE ARG A 27 4.415 -18.915 3.876 1.00 0.00 N ATOM 111 CZ ARG A 27 4.297 -18.225 5.027 1.00 0.00 C ATOM 112 NH1 ARG A 27 3.707 -18.760 6.085 1.00 0.00 N ATOM 113 NH2 ARG A 27 4.775 -16.998 5.099 1.00 0.00 N ATOM 0 H ARG A 27 1.931 -18.003 1.492 1.00 0.00 H new ATOM 0 HA ARG A 27 2.741 -19.425 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.915 -20.809 0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.096 -19.138 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.055 -19.613 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.400 -21.304 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.509 -20.699 4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.756 -20.930 3.343 1.00 0.00 H new ATOM 0 HE ARG A 27 4.887 -18.447 3.102 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.334 -19.708 6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.626 -18.224 6.949 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.229 -16.579 4.287 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.690 -16.468 5.966 1.00 0.00 H new ATOM 127 N ILE A 28 1.421 -21.654 -0.818 1.00 0.00 N ATOM 128 CA ILE A 28 0.446 -22.751 -1.031 1.00 0.00 C ATOM 129 C ILE A 28 0.010 -23.379 0.310 1.00 0.00 C ATOM 130 O ILE A 28 -1.181 -23.548 0.551 1.00 0.00 O ATOM 131 CB ILE A 28 0.984 -23.869 -2.008 1.00 0.00 C ATOM 132 CG1 ILE A 28 -0.083 -25.009 -2.199 1.00 0.00 C ATOM 133 CG2 ILE A 28 2.346 -24.439 -1.541 1.00 0.00 C ATOM 134 CD1 ILE A 28 0.330 -26.136 -3.129 1.00 0.00 C ATOM 0 H ILE A 28 2.297 -21.775 -1.327 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.422 -22.296 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 28 1.153 -23.402 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.316 -25.433 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.002 -24.564 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.679 -25.205 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.083 -23.636 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.236 -24.878 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.474 -26.869 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.532 -25.733 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.229 -26.616 -2.742 1.00 0.00 H new ATOM 146 N ALA A 29 0.993 -23.633 1.197 1.00 0.00 N ATOM 147 CA ALA A 29 0.766 -24.280 2.504 1.00 0.00 C ATOM 148 C ALA A 29 -0.146 -23.425 3.407 1.00 0.00 C ATOM 149 O ALA A 29 -0.947 -23.961 4.173 1.00 0.00 O ATOM 150 CB ALA A 29 2.109 -24.573 3.199 1.00 0.00 C ATOM 0 H ALA A 29 1.970 -23.394 1.026 1.00 0.00 H new ATOM 0 HA ALA A 29 0.254 -25.226 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.924 -25.050 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.705 -25.237 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.649 -23.639 3.355 1.00 0.00 H new ATOM 156 N ASP A 30 -0.041 -22.089 3.284 1.00 0.00 N ATOM 157 CA ASP A 30 -0.848 -21.149 4.091 1.00 0.00 C ATOM 158 C ASP A 30 -2.290 -21.122 3.581 1.00 0.00 C ATOM 159 O ASP A 30 -3.235 -21.102 4.373 1.00 0.00 O ATOM 160 CB ASP A 30 -0.248 -19.721 4.059 1.00 0.00 C ATOM 161 CG ASP A 30 -0.940 -18.757 5.038 1.00 0.00 C ATOM 162 OD1 ASP A 30 -0.863 -19.009 6.262 1.00 0.00 O ATOM 163 OD2 ASP A 30 -1.567 -17.760 4.607 1.00 0.00 O ATOM 0 H ASP A 30 0.597 -21.633 2.632 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.837 -21.497 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.814 -19.773 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.327 -19.322 3.048 1.00 0.00 H new ATOM 168 N LEU A 31 -2.433 -21.139 2.244 1.00 0.00 N ATOM 169 CA LEU A 31 -3.741 -21.176 1.574 1.00 0.00 C ATOM 170 C LEU A 31 -4.508 -22.458 1.975 1.00 0.00 C ATOM 171 O LEU A 31 -5.616 -22.372 2.486 1.00 0.00 O ATOM 172 CB LEU A 31 -3.569 -21.092 0.031 1.00 0.00 C ATOM 173 CG LEU A 31 -4.888 -21.130 -0.814 1.00 0.00 C ATOM 174 CD1 LEU A 31 -5.839 -19.972 -0.448 1.00 0.00 C ATOM 175 CD2 LEU A 31 -4.582 -21.135 -2.322 1.00 0.00 C ATOM 0 H LEU A 31 -1.643 -21.127 1.599 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.323 -20.312 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.037 -20.170 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.933 -21.918 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.399 -22.061 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.741 -20.036 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.107 -20.041 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.342 -19.020 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.516 -21.162 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.027 -20.234 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.985 -22.013 -2.569 1.00 0.00 H new ATOM 187 N GLU A 32 -3.853 -23.619 1.801 1.00 0.00 N ATOM 188 CA GLU A 32 -4.436 -24.951 2.081 1.00 0.00 C ATOM 189 C GLU A 32 -4.881 -25.085 3.554 1.00 0.00 C ATOM 190 O GLU A 32 -6.029 -25.437 3.830 1.00 0.00 O ATOM 191 CB GLU A 32 -3.414 -26.074 1.750 1.00 0.00 C ATOM 192 CG GLU A 32 -2.938 -26.126 0.286 1.00 0.00 C ATOM 193 CD GLU A 32 -4.072 -26.308 -0.732 1.00 0.00 C ATOM 194 OE1 GLU A 32 -4.690 -27.396 -0.755 1.00 0.00 O ATOM 195 OE2 GLU A 32 -4.352 -25.367 -1.509 1.00 0.00 O ATOM 0 H GLU A 32 -2.893 -23.664 1.458 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.315 -25.055 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.543 -25.950 2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.862 -27.035 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.401 -25.206 0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.228 -26.945 0.174 1.00 0.00 H new ATOM 202 N ASN A 33 -3.960 -24.768 4.487 1.00 0.00 N ATOM 203 CA ASN A 33 -4.194 -24.940 5.937 1.00 0.00 C ATOM 204 C ASN A 33 -5.259 -23.960 6.480 1.00 0.00 C ATOM 205 O ASN A 33 -6.098 -24.361 7.288 1.00 0.00 O ATOM 206 CB ASN A 33 -2.866 -24.829 6.749 1.00 0.00 C ATOM 207 CG ASN A 33 -2.060 -26.141 6.799 1.00 0.00 C ATOM 208 OD1 ASN A 33 -2.248 -26.957 7.703 1.00 0.00 O ATOM 209 ND2 ASN A 33 -1.176 -26.367 5.836 1.00 0.00 N ATOM 0 H ASN A 33 -3.041 -24.389 4.260 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.587 -25.948 6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.246 -24.048 6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.098 -24.516 7.767 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.634 -27.231 5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.038 -25.676 5.098 1.00 0.00 H new ATOM 216 N HIS A 34 -5.236 -22.687 6.033 1.00 0.00 N ATOM 217 CA HIS A 34 -6.194 -21.659 6.512 1.00 0.00 C ATOM 218 C HIS A 34 -7.603 -21.927 5.951 1.00 0.00 C ATOM 219 O HIS A 34 -8.602 -21.815 6.673 1.00 0.00 O ATOM 220 CB HIS A 34 -5.732 -20.225 6.133 1.00 0.00 C ATOM 221 CG HIS A 34 -6.561 -19.120 6.762 1.00 0.00 C ATOM 222 ND1 HIS A 34 -7.813 -18.756 6.311 1.00 0.00 N ATOM 223 CD2 HIS A 34 -6.324 -18.337 7.845 1.00 0.00 C ATOM 224 CE1 HIS A 34 -8.299 -17.798 7.076 1.00 0.00 C ATOM 225 NE2 HIS A 34 -7.416 -17.526 8.014 1.00 0.00 N ATOM 0 H HIS A 34 -4.568 -22.343 5.343 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.226 -21.725 7.600 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.692 -20.099 6.432 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.767 -20.118 5.049 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.290 -19.166 5.508 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.437 -18.350 8.461 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.259 -17.318 6.954 1.00 0.00 H new ATOM 234 N ASN A 35 -7.653 -22.281 4.653 1.00 0.00 N ATOM 235 CA ASN A 35 -8.910 -22.539 3.918 1.00 0.00 C ATOM 236 C ASN A 35 -9.650 -23.760 4.505 1.00 0.00 C ATOM 237 O ASN A 35 -10.830 -23.676 4.875 1.00 0.00 O ATOM 238 CB ASN A 35 -8.599 -22.741 2.410 1.00 0.00 C ATOM 239 CG ASN A 35 -9.817 -23.006 1.523 1.00 0.00 C ATOM 240 OD1 ASN A 35 -10.920 -22.602 1.829 1.00 0.00 O ATOM 241 ND2 ASN A 35 -9.616 -23.665 0.396 1.00 0.00 N ATOM 0 H ASN A 35 -6.818 -22.397 4.079 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.569 -21.677 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.086 -21.854 2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.906 -23.576 2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.396 -23.843 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.681 -23.996 0.158 1.00 0.00 H new ATOM 248 N ASN A 36 -8.909 -24.876 4.646 1.00 0.00 N ATOM 249 CA ASN A 36 -9.445 -26.162 5.141 1.00 0.00 C ATOM 250 C ASN A 36 -9.577 -26.180 6.686 1.00 0.00 C ATOM 251 O ASN A 36 -9.903 -27.218 7.267 1.00 0.00 O ATOM 252 CB ASN A 36 -8.544 -27.335 4.653 1.00 0.00 C ATOM 253 CG ASN A 36 -8.494 -27.493 3.126 1.00 0.00 C ATOM 254 OD1 ASN A 36 -8.503 -26.515 2.374 1.00 0.00 O ATOM 255 ND2 ASN A 36 -8.449 -28.730 2.646 1.00 0.00 N ATOM 0 H ASN A 36 -7.915 -24.912 4.419 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.448 -26.285 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.531 -27.180 5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.906 -28.264 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.421 -28.885 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.442 -29.525 3.285 1.00 0.00 H new ATOM 262 N ASP A 37 -9.320 -25.029 7.334 1.00 0.00 N ATOM 263 CA ASP A 37 -9.521 -24.838 8.787 1.00 0.00 C ATOM 264 C ASP A 37 -10.936 -24.293 9.079 1.00 0.00 C ATOM 265 O ASP A 37 -11.366 -24.226 10.238 1.00 0.00 O ATOM 266 CB ASP A 37 -8.426 -23.875 9.319 1.00 0.00 C ATOM 267 CG ASP A 37 -8.492 -23.607 10.838 1.00 0.00 C ATOM 268 OD1 ASP A 37 -8.171 -24.520 11.622 1.00 0.00 O ATOM 269 OD2 ASP A 37 -8.876 -22.493 11.245 1.00 0.00 O ATOM 0 H ASP A 37 -8.964 -24.197 6.863 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.436 -25.797 9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.447 -24.290 9.078 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.508 -22.925 8.791 1.00 0.00 H new ATOM 274 N GLY A 38 -11.670 -23.920 8.017 1.00 0.00 N ATOM 275 CA GLY A 38 -12.991 -23.295 8.140 1.00 0.00 C ATOM 276 C GLY A 38 -12.958 -21.843 7.697 1.00 0.00 C ATOM 277 O GLY A 38 -13.982 -21.279 7.288 1.00 0.00 O ATOM 0 H GLY A 38 -11.362 -24.044 7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.713 -23.845 7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.329 -23.354 9.175 1.00 0.00 H new ATOM 281 N GLY A 39 -11.764 -21.226 7.807 1.00 0.00 N ATOM 282 CA GLY A 39 -11.511 -19.895 7.265 1.00 0.00 C ATOM 283 C GLY A 39 -11.359 -19.962 5.759 1.00 0.00 C ATOM 284 O GLY A 39 -10.238 -19.882 5.244 1.00 0.00 O ATOM 0 H GLY A 39 -10.958 -21.642 8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.332 -19.227 7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.607 -19.479 7.711 1.00 0.00 H new ATOM 288 N PHE A 40 -12.497 -20.072 5.050 1.00 0.00 N ATOM 289 CA PHE A 40 -12.514 -20.490 3.648 1.00 0.00 C ATOM 290 C PHE A 40 -11.980 -19.355 2.766 1.00 0.00 C ATOM 291 O PHE A 40 -12.525 -18.254 2.760 1.00 0.00 O ATOM 292 CB PHE A 40 -13.950 -20.916 3.190 1.00 0.00 C ATOM 293 CG PHE A 40 -13.963 -21.753 1.896 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.848 -21.161 0.638 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.058 -23.144 1.947 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.825 -21.924 -0.515 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.041 -23.909 0.792 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.924 -23.299 -0.436 1.00 0.00 C ATOM 0 H PHE A 40 -13.421 -19.874 5.435 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.869 -21.363 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.421 -21.489 3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.555 -20.022 3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.776 -20.086 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.147 -23.634 2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.730 -21.444 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.120 -24.984 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.910 -23.895 -1.337 1.00 0.00 H new ATOM 308 N TRP A 41 -10.869 -19.651 2.087 1.00 0.00 N ATOM 309 CA TRP A 41 -10.223 -18.769 1.112 1.00 0.00 C ATOM 310 C TRP A 41 -10.388 -19.343 -0.302 1.00 0.00 C ATOM 311 O TRP A 41 -10.839 -20.479 -0.489 1.00 0.00 O ATOM 312 CB TRP A 41 -8.708 -18.611 1.442 1.00 0.00 C ATOM 313 CG TRP A 41 -8.362 -17.651 2.561 1.00 0.00 C ATOM 314 CD1 TRP A 41 -9.201 -16.831 3.259 1.00 0.00 C ATOM 315 CD2 TRP A 41 -7.049 -17.408 3.075 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.486 -16.084 4.158 1.00 0.00 N ATOM 317 CE2 TRP A 41 -7.164 -16.420 4.068 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.783 -17.924 2.780 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -6.065 -15.949 4.774 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.696 -17.461 3.485 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.840 -16.475 4.467 1.00 0.00 C ATOM 0 H TRP A 41 -10.379 -20.538 2.204 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.698 -17.789 1.161 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.309 -19.593 1.698 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.193 -18.283 0.539 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.271 -16.779 3.123 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.878 -15.388 4.793 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.661 -18.673 2.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.173 -15.194 5.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.716 -17.865 3.277 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.966 -16.122 4.994 1.00 0.00 H new ATOM 332 N THR A 42 -9.985 -18.541 -1.287 1.00 0.00 N ATOM 333 CA THR A 42 -9.976 -18.927 -2.699 1.00 0.00 C ATOM 334 C THR A 42 -8.804 -18.225 -3.402 1.00 0.00 C ATOM 335 O THR A 42 -8.400 -17.132 -2.996 1.00 0.00 O ATOM 336 CB THR A 42 -11.333 -18.560 -3.402 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.347 -19.035 -4.758 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.600 -17.041 -3.381 1.00 0.00 C ATOM 0 H THR A 42 -9.651 -17.591 -1.125 1.00 0.00 H new ATOM 0 HA THR A 42 -9.855 -20.008 -2.767 1.00 0.00 H new ATOM 0 HB THR A 42 -12.127 -19.051 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.200 -18.799 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.548 -16.831 -3.877 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.646 -16.694 -2.349 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.795 -16.523 -3.902 1.00 0.00 H new ATOM 346 N VAL A 43 -8.251 -18.868 -4.431 1.00 0.00 N ATOM 347 CA VAL A 43 -7.254 -18.254 -5.314 1.00 0.00 C ATOM 348 C VAL A 43 -7.906 -18.025 -6.691 1.00 0.00 C ATOM 349 O VAL A 43 -8.231 -18.972 -7.404 1.00 0.00 O ATOM 350 CB VAL A 43 -5.938 -19.120 -5.413 1.00 0.00 C ATOM 351 CG1 VAL A 43 -6.232 -20.626 -5.662 1.00 0.00 C ATOM 352 CG2 VAL A 43 -4.977 -18.545 -6.483 1.00 0.00 C ATOM 0 H VAL A 43 -8.481 -19.831 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.939 -17.296 -4.899 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.443 -19.060 -4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.292 -21.175 -5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.831 -21.020 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.779 -20.740 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.078 -19.159 -6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.471 -18.547 -7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.705 -17.524 -6.216 1.00 0.00 H new ATOM 362 N ILE A 44 -8.145 -16.753 -7.033 1.00 0.00 N ATOM 363 CA ILE A 44 -8.741 -16.342 -8.313 1.00 0.00 C ATOM 364 C ILE A 44 -7.804 -15.336 -8.993 1.00 0.00 C ATOM 365 O ILE A 44 -7.438 -14.319 -8.383 1.00 0.00 O ATOM 366 CB ILE A 44 -10.172 -15.703 -8.112 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.110 -16.698 -7.352 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.799 -15.272 -9.471 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.510 -16.186 -7.072 1.00 0.00 C ATOM 0 H ILE A 44 -7.927 -15.968 -6.420 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.866 -17.225 -8.940 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.058 -14.804 -7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.187 -17.616 -7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.641 -16.961 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.783 -14.837 -9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.156 -14.534 -9.951 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.898 -16.143 -10.119 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.078 -16.951 -6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.453 -15.287 -6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.007 -15.952 -8.013 1.00 0.00 H new ATOM 381 N ASP A 45 -7.400 -15.656 -10.240 1.00 0.00 N ATOM 382 CA ASP A 45 -6.591 -14.772 -11.113 1.00 0.00 C ATOM 383 C ASP A 45 -5.193 -14.494 -10.485 1.00 0.00 C ATOM 384 O ASP A 45 -4.591 -13.427 -10.658 1.00 0.00 O ATOM 385 CB ASP A 45 -7.413 -13.470 -11.420 1.00 0.00 C ATOM 386 CG ASP A 45 -6.769 -12.528 -12.449 1.00 0.00 C ATOM 387 OD1 ASP A 45 -6.534 -12.961 -13.596 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.527 -11.347 -12.128 1.00 0.00 O ATOM 0 H ASP A 45 -7.629 -16.549 -10.678 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.386 -15.263 -12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.401 -13.758 -11.780 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.560 -12.922 -10.489 1.00 0.00 H new ATOM 393 N GLY A 46 -4.676 -15.506 -9.759 1.00 0.00 N ATOM 394 CA GLY A 46 -3.360 -15.431 -9.106 1.00 0.00 C ATOM 395 C GLY A 46 -3.364 -14.650 -7.791 1.00 0.00 C ATOM 396 O GLY A 46 -2.314 -14.476 -7.178 1.00 0.00 O ATOM 0 H GLY A 46 -5.159 -16.392 -9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.002 -16.443 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.651 -14.966 -9.791 1.00 0.00 H new ATOM 400 N LYS A 47 -4.547 -14.173 -7.362 1.00 0.00 N ATOM 401 CA LYS A 47 -4.732 -13.437 -6.095 1.00 0.00 C ATOM 402 C LYS A 47 -5.521 -14.310 -5.114 1.00 0.00 C ATOM 403 O LYS A 47 -6.369 -15.092 -5.530 1.00 0.00 O ATOM 404 CB LYS A 47 -5.513 -12.117 -6.342 1.00 0.00 C ATOM 405 CG LYS A 47 -4.856 -11.124 -7.319 1.00 0.00 C ATOM 406 CD LYS A 47 -3.508 -10.570 -6.813 1.00 0.00 C ATOM 407 CE LYS A 47 -2.954 -9.444 -7.709 1.00 0.00 C ATOM 408 NZ LYS A 47 -2.851 -9.853 -9.138 1.00 0.00 N ATOM 0 H LYS A 47 -5.412 -14.288 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.752 -13.197 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.504 -12.368 -6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.655 -11.616 -5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.701 -11.618 -8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.539 -10.293 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.633 -10.193 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.781 -11.381 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.600 -8.570 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.970 -9.147 -7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.411 -9.087 -9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.268 -10.711 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.802 -10.046 -9.513 1.00 0.00 H new ATOM 422 N VAL A 48 -5.244 -14.169 -3.810 1.00 0.00 N ATOM 423 CA VAL A 48 -5.999 -14.866 -2.752 1.00 0.00 C ATOM 424 C VAL A 48 -6.989 -13.892 -2.085 1.00 0.00 C ATOM 425 O VAL A 48 -6.607 -12.790 -1.660 1.00 0.00 O ATOM 426 CB VAL A 48 -5.065 -15.500 -1.654 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.879 -16.291 -0.590 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.990 -16.396 -2.295 1.00 0.00 C ATOM 0 H VAL A 48 -4.495 -13.573 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.537 -15.683 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.566 -14.678 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.198 -16.713 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.581 -15.619 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.429 -17.096 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.358 -16.821 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.471 -17.200 -2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.378 -15.802 -2.973 1.00 0.00 H new ATOM 438 N TYR A 49 -8.259 -14.317 -2.029 1.00 0.00 N ATOM 439 CA TYR A 49 -9.356 -13.604 -1.353 1.00 0.00 C ATOM 440 C TYR A 49 -9.965 -14.522 -0.286 1.00 0.00 C ATOM 441 O TYR A 49 -9.656 -15.720 -0.248 1.00 0.00 O ATOM 442 CB TYR A 49 -10.460 -13.208 -2.372 1.00 0.00 C ATOM 443 CG TYR A 49 -9.993 -12.306 -3.519 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.340 -12.837 -4.635 1.00 0.00 C ATOM 445 CD2 TYR A 49 -10.188 -10.924 -3.482 1.00 0.00 C ATOM 446 CE1 TYR A 49 -8.904 -12.025 -5.661 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.745 -10.112 -4.503 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.103 -10.664 -5.586 1.00 0.00 C ATOM 449 OH TYR A 49 -8.640 -9.843 -6.592 1.00 0.00 O ATOM 0 H TYR A 49 -8.561 -15.189 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.959 -12.698 -0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.885 -14.118 -2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.263 -12.702 -1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.174 -13.902 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.696 -10.483 -2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.409 -12.454 -6.519 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.902 -9.045 -4.453 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.864 -8.912 -6.384 1.00 0.00 H new ATOM 459 N ASP A 50 -10.831 -13.965 0.574 1.00 0.00 N ATOM 460 CA ASP A 50 -11.673 -14.771 1.475 1.00 0.00 C ATOM 461 C ASP A 50 -13.047 -15.005 0.829 1.00 0.00 C ATOM 462 O ASP A 50 -13.485 -14.257 -0.057 1.00 0.00 O ATOM 463 CB ASP A 50 -11.834 -14.109 2.876 1.00 0.00 C ATOM 464 CG ASP A 50 -12.577 -12.760 2.850 1.00 0.00 C ATOM 465 OD1 ASP A 50 -13.824 -12.760 2.870 1.00 0.00 O ATOM 466 OD2 ASP A 50 -11.911 -11.708 2.812 1.00 0.00 O ATOM 0 H ASP A 50 -10.968 -12.958 0.666 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.175 -15.728 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.371 -14.795 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.846 -13.960 3.312 1.00 0.00 H new ATOM 471 N ILE A 51 -13.699 -16.069 1.286 1.00 0.00 N ATOM 472 CA ILE A 51 -15.084 -16.422 0.947 1.00 0.00 C ATOM 473 C ILE A 51 -15.916 -16.483 2.244 1.00 0.00 C ATOM 474 O ILE A 51 -17.108 -16.185 2.225 1.00 0.00 O ATOM 475 CB ILE A 51 -15.148 -17.796 0.157 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.499 -17.638 -1.253 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.585 -18.378 0.041 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.181 -16.609 -2.144 1.00 0.00 C ATOM 0 H ILE A 51 -13.267 -16.736 1.925 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.500 -15.659 0.289 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.578 -18.518 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.453 -17.358 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.513 -18.604 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.554 -19.317 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -16.987 -18.556 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.223 -17.669 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.668 -16.562 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.221 -16.896 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.144 -15.631 -1.665 1.00 0.00 H new ATOM 490 N LYS A 52 -15.254 -16.843 3.371 1.00 0.00 N ATOM 491 CA LYS A 52 -15.892 -16.951 4.705 1.00 0.00 C ATOM 492 C LYS A 52 -16.606 -15.628 5.090 1.00 0.00 C ATOM 493 O LYS A 52 -17.823 -15.606 5.328 1.00 0.00 O ATOM 494 CB LYS A 52 -14.822 -17.295 5.782 1.00 0.00 C ATOM 495 CG LYS A 52 -15.386 -17.397 7.222 1.00 0.00 C ATOM 496 CD LYS A 52 -14.299 -17.495 8.317 1.00 0.00 C ATOM 497 CE LYS A 52 -13.392 -16.250 8.374 1.00 0.00 C ATOM 498 NZ LYS A 52 -12.425 -16.317 9.499 1.00 0.00 N ATOM 0 H LYS A 52 -14.259 -17.067 3.379 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.635 -17.747 4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.349 -18.242 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.043 -16.533 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.009 -16.525 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.033 -18.272 7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.778 -17.634 9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.685 -18.377 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.848 -16.154 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.008 -15.357 8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.835 -15.461 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.943 -16.383 10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.819 -17.155 9.387 1.00 0.00 H new ATOM 512 N ASP A 53 -15.824 -14.532 5.117 1.00 0.00 N ATOM 513 CA ASP A 53 -16.317 -13.197 5.501 1.00 0.00 C ATOM 514 C ASP A 53 -17.177 -12.601 4.366 1.00 0.00 C ATOM 515 O ASP A 53 -18.175 -11.938 4.629 1.00 0.00 O ATOM 516 CB ASP A 53 -15.128 -12.254 5.859 1.00 0.00 C ATOM 517 CG ASP A 53 -15.596 -10.865 6.357 1.00 0.00 C ATOM 518 OD1 ASP A 53 -16.056 -10.759 7.517 1.00 0.00 O ATOM 519 OD2 ASP A 53 -15.481 -9.867 5.609 1.00 0.00 O ATOM 0 H ASP A 53 -14.834 -14.548 4.873 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.942 -13.296 6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.516 -12.724 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.494 -12.126 4.982 1.00 0.00 H new ATOM 524 N PHE A 54 -16.772 -12.877 3.107 1.00 0.00 N ATOM 525 CA PHE A 54 -17.474 -12.435 1.878 1.00 0.00 C ATOM 526 C PHE A 54 -18.973 -12.809 1.906 1.00 0.00 C ATOM 527 O PHE A 54 -19.854 -11.945 1.777 1.00 0.00 O ATOM 528 CB PHE A 54 -16.772 -13.078 0.641 1.00 0.00 C ATOM 529 CG PHE A 54 -17.311 -12.647 -0.723 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.451 -13.241 -1.275 1.00 0.00 C ATOM 531 CD2 PHE A 54 -16.680 -11.648 -1.456 1.00 0.00 C ATOM 532 CE1 PHE A 54 -18.935 -12.845 -2.502 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.168 -11.256 -2.682 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.293 -11.857 -3.205 1.00 0.00 C ATOM 0 H PHE A 54 -15.933 -13.423 2.911 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.420 -11.348 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.709 -12.839 0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.858 -14.162 0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.960 -14.023 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.795 -11.173 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.819 -13.312 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.668 -10.475 -3.236 1.00 0.00 H new ATOM 0 HZ PHE A 54 -18.670 -11.550 -4.169 1.00 0.00 H new ATOM 544 N GLN A 55 -19.230 -14.113 2.090 1.00 0.00 N ATOM 545 CA GLN A 55 -20.590 -14.692 2.065 1.00 0.00 C ATOM 546 C GLN A 55 -21.413 -14.219 3.277 1.00 0.00 C ATOM 547 O GLN A 55 -22.644 -14.186 3.223 1.00 0.00 O ATOM 548 CB GLN A 55 -20.529 -16.239 1.996 1.00 0.00 C ATOM 549 CG GLN A 55 -20.012 -16.925 3.275 1.00 0.00 C ATOM 550 CD GLN A 55 -19.792 -18.427 3.115 1.00 0.00 C ATOM 551 OE1 GLN A 55 -20.696 -19.228 3.332 1.00 0.00 O ATOM 552 NE2 GLN A 55 -18.587 -18.825 2.745 1.00 0.00 N ATOM 0 H GLN A 55 -18.499 -14.803 2.262 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.093 -14.338 1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.527 -16.618 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -19.888 -16.526 1.163 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.073 -16.458 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.724 -16.754 4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.854 -18.137 2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.390 -19.820 2.633 1.00 0.00 H new ATOM 561 N THR A 56 -20.717 -13.882 4.383 1.00 0.00 N ATOM 562 CA THR A 56 -21.350 -13.267 5.561 1.00 0.00 C ATOM 563 C THR A 56 -21.860 -11.846 5.204 1.00 0.00 C ATOM 564 O THR A 56 -23.011 -11.509 5.466 1.00 0.00 O ATOM 565 CB THR A 56 -20.354 -13.203 6.771 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.847 -14.518 7.060 1.00 0.00 O ATOM 567 CG2 THR A 56 -21.004 -12.618 8.042 1.00 0.00 C ATOM 0 H THR A 56 -19.712 -14.028 4.481 1.00 0.00 H new ATOM 0 HA THR A 56 -22.196 -13.886 5.859 1.00 0.00 H new ATOM 0 HB THR A 56 -19.541 -12.538 6.479 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.159 -14.755 6.404 1.00 0.00 H new ATOM 0 HG21 THR A 56 -20.271 -12.596 8.849 1.00 0.00 H new ATOM 0 HG22 THR A 56 -21.351 -11.605 7.840 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.850 -13.239 8.337 1.00 0.00 H new ATOM 575 N GLN A 57 -20.988 -11.052 4.543 1.00 0.00 N ATOM 576 CA GLN A 57 -21.257 -9.643 4.190 1.00 0.00 C ATOM 577 C GLN A 57 -22.203 -9.499 2.982 1.00 0.00 C ATOM 578 O GLN A 57 -22.717 -8.404 2.732 1.00 0.00 O ATOM 579 CB GLN A 57 -19.916 -8.904 3.912 1.00 0.00 C ATOM 580 CG GLN A 57 -18.922 -8.886 5.095 1.00 0.00 C ATOM 581 CD GLN A 57 -19.522 -8.333 6.387 1.00 0.00 C ATOM 582 OE1 GLN A 57 -19.498 -7.130 6.631 1.00 0.00 O ATOM 583 NE2 GLN A 57 -20.056 -9.205 7.234 1.00 0.00 N ATOM 0 H GLN A 57 -20.070 -11.376 4.238 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.763 -9.189 5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.431 -9.374 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -20.138 -7.875 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.565 -9.900 5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -18.054 -8.286 4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -20.062 -10.199 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -20.460 -8.881 8.113 1.00 0.00 H new ATOM 592 N SER A 58 -22.433 -10.599 2.238 1.00 0.00 N ATOM 593 CA SER A 58 -23.290 -10.572 1.033 1.00 0.00 C ATOM 594 C SER A 58 -24.772 -10.322 1.367 1.00 0.00 C ATOM 595 O SER A 58 -25.530 -9.878 0.513 1.00 0.00 O ATOM 596 CB SER A 58 -23.104 -11.854 0.179 1.00 0.00 C ATOM 597 OG SER A 58 -23.490 -13.027 0.872 1.00 0.00 O ATOM 0 H SER A 58 -22.039 -11.516 2.449 1.00 0.00 H new ATOM 0 HA SER A 58 -22.962 -9.723 0.434 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.691 -11.766 -0.735 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.059 -11.939 -0.120 1.00 0.00 H new ATOM 0 HG SER A 58 -23.049 -13.050 1.747 1.00 0.00 H new ATOM 603 N LEU A 59 -25.164 -10.576 2.629 1.00 0.00 N ATOM 604 CA LEU A 59 -26.553 -10.370 3.088 1.00 0.00 C ATOM 605 C LEU A 59 -26.762 -8.956 3.671 1.00 0.00 C ATOM 606 O LEU A 59 -27.874 -8.629 4.111 1.00 0.00 O ATOM 607 CB LEU A 59 -26.963 -11.459 4.124 1.00 0.00 C ATOM 608 CG LEU A 59 -27.098 -12.929 3.593 1.00 0.00 C ATOM 609 CD1 LEU A 59 -27.989 -13.003 2.333 1.00 0.00 C ATOM 610 CD2 LEU A 59 -25.728 -13.597 3.367 1.00 0.00 C ATOM 0 H LEU A 59 -24.536 -10.926 3.353 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.199 -10.463 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.228 -11.455 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.917 -11.168 4.563 1.00 0.00 H new ATOM 0 HG LEU A 59 -27.598 -13.500 4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -28.058 -14.037 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -28.986 -12.632 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -27.553 -12.392 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -25.875 -14.613 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -25.160 -13.024 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.178 -13.627 4.308 1.00 0.00 H new ATOM 622 N THR A 60 -25.695 -8.124 3.690 1.00 0.00 N ATOM 623 CA THR A 60 -25.797 -6.722 4.133 1.00 0.00 C ATOM 624 C THR A 60 -26.479 -5.912 3.022 1.00 0.00 C ATOM 625 O THR A 60 -26.028 -5.950 1.866 1.00 0.00 O ATOM 626 CB THR A 60 -24.402 -6.102 4.465 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.667 -6.982 5.327 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.522 -4.712 5.133 1.00 0.00 C ATOM 0 H THR A 60 -24.757 -8.403 3.403 1.00 0.00 H new ATOM 0 HA THR A 60 -26.383 -6.692 5.052 1.00 0.00 H new ATOM 0 HB THR A 60 -23.874 -5.973 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.200 -7.654 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.526 -4.323 5.344 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.044 -4.030 4.462 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.081 -4.803 6.064 1.00 0.00 H new ATOM 636 N GLU A 61 -27.559 -5.196 3.395 1.00 0.00 N ATOM 637 CA GLU A 61 -28.473 -4.512 2.455 1.00 0.00 C ATOM 638 C GLU A 61 -27.725 -3.505 1.555 1.00 0.00 C ATOM 639 O GLU A 61 -27.886 -3.510 0.330 1.00 0.00 O ATOM 640 CB GLU A 61 -29.589 -3.781 3.255 1.00 0.00 C ATOM 641 CG GLU A 61 -30.736 -3.185 2.406 1.00 0.00 C ATOM 642 CD GLU A 61 -31.633 -4.255 1.756 1.00 0.00 C ATOM 643 OE1 GLU A 61 -32.612 -4.695 2.401 1.00 0.00 O ATOM 644 OE2 GLU A 61 -31.357 -4.677 0.608 1.00 0.00 O ATOM 0 H GLU A 61 -27.826 -5.074 4.372 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.914 -5.268 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.017 -4.482 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -29.131 -2.977 3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -31.349 -2.542 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -30.311 -2.554 1.625 1.00 0.00 H new ATOM 651 N ASN A 62 -26.892 -2.661 2.180 1.00 0.00 N ATOM 652 CA ASN A 62 -26.201 -1.550 1.489 1.00 0.00 C ATOM 653 C ASN A 62 -24.915 -2.015 0.762 1.00 0.00 C ATOM 654 O ASN A 62 -24.371 -1.265 -0.053 1.00 0.00 O ATOM 655 CB ASN A 62 -25.891 -0.428 2.517 1.00 0.00 C ATOM 656 CG ASN A 62 -25.264 0.835 1.907 1.00 0.00 C ATOM 657 OD1 ASN A 62 -24.047 1.008 1.916 1.00 0.00 O ATOM 658 ND2 ASN A 62 -26.087 1.713 1.352 1.00 0.00 N ATOM 0 H ASN A 62 -26.675 -2.724 3.175 1.00 0.00 H new ATOM 0 HA ASN A 62 -26.863 -1.164 0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -26.815 -0.151 3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -25.216 -0.824 3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -25.715 2.558 0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -27.093 1.544 1.359 1.00 0.00 H new ATOM 665 N SER A 63 -24.450 -3.252 1.043 1.00 0.00 N ATOM 666 CA SER A 63 -23.231 -3.811 0.411 1.00 0.00 C ATOM 667 C SER A 63 -23.447 -4.060 -1.095 1.00 0.00 C ATOM 668 O SER A 63 -24.566 -4.323 -1.541 1.00 0.00 O ATOM 669 CB SER A 63 -22.796 -5.129 1.102 1.00 0.00 C ATOM 670 OG SER A 63 -22.351 -4.889 2.424 1.00 0.00 O ATOM 0 H SER A 63 -24.900 -3.885 1.704 1.00 0.00 H new ATOM 0 HA SER A 63 -22.438 -3.073 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.632 -5.828 1.118 1.00 0.00 H new ATOM 0 HB3 SER A 63 -21.999 -5.599 0.526 1.00 0.00 H new ATOM 0 HG SER A 63 -21.980 -5.715 2.799 1.00 0.00 H new ATOM 676 N ILE A 64 -22.338 -3.979 -1.854 1.00 0.00 N ATOM 677 CA ILE A 64 -22.295 -4.290 -3.302 1.00 0.00 C ATOM 678 C ILE A 64 -22.689 -5.759 -3.577 1.00 0.00 C ATOM 679 O ILE A 64 -23.123 -6.102 -4.675 1.00 0.00 O ATOM 680 CB ILE A 64 -20.853 -4.052 -3.893 1.00 0.00 C ATOM 681 CG1 ILE A 64 -19.797 -4.952 -3.166 1.00 0.00 C ATOM 682 CG2 ILE A 64 -20.458 -2.554 -3.837 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.439 -5.005 -3.821 1.00 0.00 C ATOM 0 H ILE A 64 -21.434 -3.693 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.010 -3.622 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.870 -4.341 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -19.676 -4.590 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.191 -5.966 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.458 -2.426 -4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.170 -1.968 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -20.467 -2.214 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.781 -5.653 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.538 -5.399 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.015 -4.002 -3.862 1.00 0.00 H new ATOM 695 N LEU A 65 -22.518 -6.608 -2.550 1.00 0.00 N ATOM 696 CA LEU A 65 -22.741 -8.053 -2.628 1.00 0.00 C ATOM 697 C LEU A 65 -24.216 -8.424 -2.369 1.00 0.00 C ATOM 698 O LEU A 65 -24.544 -9.607 -2.383 1.00 0.00 O ATOM 699 CB LEU A 65 -21.839 -8.770 -1.597 1.00 0.00 C ATOM 700 CG LEU A 65 -20.315 -8.485 -1.649 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.567 -9.317 -0.572 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.747 -8.718 -3.071 1.00 0.00 C ATOM 0 H LEU A 65 -22.215 -6.299 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.490 -8.375 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.195 -8.508 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -21.983 -9.844 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.153 -7.432 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.499 -9.104 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.942 -9.053 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.734 -10.379 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.677 -8.510 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.916 -9.754 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.248 -8.054 -3.776 1.00 0.00 H new ATOM 714 N ALA A 66 -25.085 -7.420 -2.118 1.00 0.00 N ATOM 715 CA ALA A 66 -26.533 -7.647 -1.866 1.00 0.00 C ATOM 716 C ALA A 66 -27.254 -8.103 -3.153 1.00 0.00 C ATOM 717 O ALA A 66 -28.206 -8.892 -3.101 1.00 0.00 O ATOM 718 CB ALA A 66 -27.188 -6.386 -1.281 1.00 0.00 C ATOM 0 H ALA A 66 -24.811 -6.438 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.628 -8.447 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.247 -6.575 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.704 -6.128 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.079 -5.560 -1.984 1.00 0.00 H new ATOM 724 N GLN A 67 -26.783 -7.595 -4.306 1.00 0.00 N ATOM 725 CA GLN A 67 -27.248 -8.031 -5.645 1.00 0.00 C ATOM 726 C GLN A 67 -26.665 -9.419 -5.997 1.00 0.00 C ATOM 727 O GLN A 67 -27.240 -10.164 -6.792 1.00 0.00 O ATOM 728 CB GLN A 67 -26.848 -6.980 -6.716 1.00 0.00 C ATOM 729 CG GLN A 67 -25.327 -6.764 -6.846 1.00 0.00 C ATOM 730 CD GLN A 67 -24.951 -5.590 -7.742 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.745 -5.744 -8.947 1.00 0.00 O ATOM 732 NE2 GLN A 67 -24.878 -4.403 -7.160 1.00 0.00 N ATOM 0 H GLN A 67 -26.068 -6.869 -4.341 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.335 -8.115 -5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.244 -7.292 -7.682 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -27.320 -6.029 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.905 -6.602 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.872 -7.672 -7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -25.055 -4.314 -6.159 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -24.645 -3.578 -7.712 1.00 0.00 H new ATOM 741 N PHE A 68 -25.507 -9.739 -5.388 1.00 0.00 N ATOM 742 CA PHE A 68 -24.795 -11.018 -5.574 1.00 0.00 C ATOM 743 C PHE A 68 -25.145 -12.030 -4.458 1.00 0.00 C ATOM 744 O PHE A 68 -24.582 -13.130 -4.417 1.00 0.00 O ATOM 745 CB PHE A 68 -23.262 -10.758 -5.585 1.00 0.00 C ATOM 746 CG PHE A 68 -22.751 -9.853 -6.714 1.00 0.00 C ATOM 747 CD1 PHE A 68 -23.022 -10.153 -8.052 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.976 -8.719 -6.443 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.549 -9.344 -9.073 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.505 -7.911 -7.467 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.790 -8.227 -8.782 1.00 0.00 C ATOM 0 H PHE A 68 -25.033 -9.107 -4.743 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.109 -11.448 -6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.980 -10.313 -4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.749 -11.718 -5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.608 -11.027 -8.294 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.741 -8.469 -5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.775 -9.588 -10.101 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.916 -7.035 -7.237 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.420 -7.602 -9.581 1.00 0.00 H new ATOM 761 N ALA A 69 -26.075 -11.645 -3.554 1.00 0.00 N ATOM 762 CA ALA A 69 -26.511 -12.489 -2.417 1.00 0.00 C ATOM 763 C ALA A 69 -27.258 -13.737 -2.912 1.00 0.00 C ATOM 764 O ALA A 69 -27.223 -14.789 -2.268 1.00 0.00 O ATOM 765 CB ALA A 69 -27.393 -11.674 -1.463 1.00 0.00 C ATOM 0 H ALA A 69 -26.544 -10.740 -3.592 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.625 -12.823 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.708 -12.304 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.827 -10.824 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.272 -11.314 -1.998 1.00 0.00 H new ATOM 771 N GLY A 70 -27.924 -13.606 -4.078 1.00 0.00 N ATOM 772 CA GLY A 70 -28.622 -14.726 -4.720 1.00 0.00 C ATOM 773 C GLY A 70 -27.733 -15.503 -5.688 1.00 0.00 C ATOM 774 O GLY A 70 -28.239 -16.181 -6.583 1.00 0.00 O ATOM 0 H GLY A 70 -27.990 -12.728 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.994 -15.404 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.491 -14.346 -5.258 1.00 0.00 H new ATOM 778 N GLU A 71 -26.407 -15.415 -5.484 1.00 0.00 N ATOM 779 CA GLU A 71 -25.393 -16.078 -6.320 1.00 0.00 C ATOM 780 C GLU A 71 -24.342 -16.732 -5.405 1.00 0.00 C ATOM 781 O GLU A 71 -24.182 -16.323 -4.243 1.00 0.00 O ATOM 782 CB GLU A 71 -24.742 -15.027 -7.282 1.00 0.00 C ATOM 783 CG GLU A 71 -23.708 -15.582 -8.293 1.00 0.00 C ATOM 784 CD GLU A 71 -24.260 -16.729 -9.160 1.00 0.00 C ATOM 785 OE1 GLU A 71 -25.203 -16.496 -9.947 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.768 -17.874 -9.040 1.00 0.00 O ATOM 0 H GLU A 71 -26.004 -14.872 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.850 -16.856 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.537 -14.533 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.255 -14.262 -6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.375 -14.773 -8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.832 -15.936 -7.749 1.00 0.00 H new ATOM 793 N ASP A 72 -23.660 -17.767 -5.938 1.00 0.00 N ATOM 794 CA ASP A 72 -22.536 -18.458 -5.266 1.00 0.00 C ATOM 795 C ASP A 72 -21.429 -17.440 -4.912 1.00 0.00 C ATOM 796 O ASP A 72 -21.045 -16.674 -5.786 1.00 0.00 O ATOM 797 CB ASP A 72 -21.969 -19.558 -6.208 1.00 0.00 C ATOM 798 CG ASP A 72 -20.705 -20.246 -5.657 1.00 0.00 C ATOM 799 OD1 ASP A 72 -20.836 -21.129 -4.787 1.00 0.00 O ATOM 800 OD2 ASP A 72 -19.580 -19.896 -6.077 1.00 0.00 O ATOM 0 H ASP A 72 -23.876 -18.152 -6.858 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.893 -18.921 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.738 -20.311 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.738 -19.113 -7.176 1.00 0.00 H new ATOM 805 N PRO A 73 -20.896 -17.428 -3.638 1.00 0.00 N ATOM 806 CA PRO A 73 -19.904 -16.416 -3.170 1.00 0.00 C ATOM 807 C PRO A 73 -18.628 -16.318 -4.049 1.00 0.00 C ATOM 808 O PRO A 73 -18.076 -15.231 -4.207 1.00 0.00 O ATOM 809 CB PRO A 73 -19.569 -16.880 -1.721 1.00 0.00 C ATOM 810 CG PRO A 73 -20.025 -18.309 -1.655 1.00 0.00 C ATOM 811 CD PRO A 73 -21.239 -18.379 -2.542 1.00 0.00 C ATOM 0 HA PRO A 73 -20.315 -15.408 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.502 -16.797 -1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.084 -16.267 -0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.245 -18.987 -2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.268 -18.598 -0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -21.408 -19.388 -2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.145 -18.080 -2.014 1.00 0.00 H new ATOM 819 N VAL A 74 -18.177 -17.448 -4.626 1.00 0.00 N ATOM 820 CA VAL A 74 -16.960 -17.471 -5.469 1.00 0.00 C ATOM 821 C VAL A 74 -17.255 -16.833 -6.842 1.00 0.00 C ATOM 822 O VAL A 74 -16.506 -15.977 -7.305 1.00 0.00 O ATOM 823 CB VAL A 74 -16.400 -18.930 -5.637 1.00 0.00 C ATOM 824 CG1 VAL A 74 -15.115 -18.950 -6.496 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.159 -19.590 -4.256 1.00 0.00 C ATOM 0 H VAL A 74 -18.633 -18.355 -4.526 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.189 -16.886 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 74 -17.153 -19.514 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.756 -19.975 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.333 -18.549 -7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.348 -18.340 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.772 -20.599 -4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.437 -19.000 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.099 -19.636 -3.706 1.00 0.00 H new ATOM 835 N VAL A 75 -18.385 -17.242 -7.456 1.00 0.00 N ATOM 836 CA VAL A 75 -18.853 -16.699 -8.762 1.00 0.00 C ATOM 837 C VAL A 75 -19.194 -15.196 -8.635 1.00 0.00 C ATOM 838 O VAL A 75 -18.952 -14.403 -9.553 1.00 0.00 O ATOM 839 CB VAL A 75 -20.098 -17.501 -9.294 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.655 -16.911 -10.619 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.742 -19.000 -9.457 1.00 0.00 C ATOM 0 H VAL A 75 -19.002 -17.955 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.043 -16.813 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.891 -17.407 -8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.513 -17.498 -10.946 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.963 -15.878 -10.456 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.880 -16.942 -11.385 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.612 -19.543 -9.826 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.922 -19.104 -10.167 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.441 -19.409 -8.493 1.00 0.00 H new ATOM 851 N ALA A 76 -19.726 -14.839 -7.465 1.00 0.00 N ATOM 852 CA ALA A 76 -20.096 -13.464 -7.088 1.00 0.00 C ATOM 853 C ALA A 76 -18.845 -12.589 -6.948 1.00 0.00 C ATOM 854 O ALA A 76 -18.858 -11.411 -7.305 1.00 0.00 O ATOM 855 CB ALA A 76 -20.883 -13.484 -5.769 1.00 0.00 C ATOM 0 H ALA A 76 -19.919 -15.516 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.723 -13.039 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.155 -12.465 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.787 -14.080 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.266 -13.920 -4.984 1.00 0.00 H new ATOM 861 N LEU A 77 -17.776 -13.198 -6.412 1.00 0.00 N ATOM 862 CA LEU A 77 -16.460 -12.562 -6.251 1.00 0.00 C ATOM 863 C LEU A 77 -15.820 -12.293 -7.626 1.00 0.00 C ATOM 864 O LEU A 77 -15.292 -11.211 -7.861 1.00 0.00 O ATOM 865 CB LEU A 77 -15.557 -13.471 -5.374 1.00 0.00 C ATOM 866 CG LEU A 77 -14.103 -12.976 -5.079 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.074 -11.623 -4.344 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.340 -14.041 -4.279 1.00 0.00 C ATOM 0 H LEU A 77 -17.802 -14.160 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.577 -11.600 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.060 -13.624 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.489 -14.445 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.612 -12.820 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.040 -11.328 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.567 -10.866 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.595 -11.715 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.328 -13.689 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.855 -14.226 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.295 -14.965 -4.855 1.00 0.00 H new ATOM 880 N GLU A 78 -15.915 -13.286 -8.535 1.00 0.00 N ATOM 881 CA GLU A 78 -15.390 -13.191 -9.922 1.00 0.00 C ATOM 882 C GLU A 78 -16.137 -12.106 -10.729 1.00 0.00 C ATOM 883 O GLU A 78 -15.532 -11.379 -11.532 1.00 0.00 O ATOM 884 CB GLU A 78 -15.512 -14.570 -10.624 1.00 0.00 C ATOM 885 CG GLU A 78 -14.709 -15.698 -9.950 1.00 0.00 C ATOM 886 CD GLU A 78 -14.997 -17.085 -10.543 1.00 0.00 C ATOM 887 OE1 GLU A 78 -14.377 -17.448 -11.564 1.00 0.00 O ATOM 888 OE2 GLU A 78 -15.853 -17.816 -9.996 1.00 0.00 O ATOM 0 H GLU A 78 -16.359 -14.181 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.340 -12.904 -9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.563 -14.857 -10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.178 -14.470 -11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.644 -15.484 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.938 -15.711 -8.884 1.00 0.00 H new ATOM 895 N ALA A 79 -17.455 -12.006 -10.488 1.00 0.00 N ATOM 896 CA ALA A 79 -18.329 -10.988 -11.106 1.00 0.00 C ATOM 897 C ALA A 79 -18.030 -9.594 -10.521 1.00 0.00 C ATOM 898 O ALA A 79 -18.113 -8.577 -11.218 1.00 0.00 O ATOM 899 CB ALA A 79 -19.804 -11.368 -10.892 1.00 0.00 C ATOM 0 H ALA A 79 -17.950 -12.633 -9.854 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.131 -10.952 -12.177 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.444 -10.614 -11.350 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.000 -12.337 -11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.014 -11.423 -9.824 1.00 0.00 H new ATOM 905 N ALA A 80 -17.662 -9.578 -9.230 1.00 0.00 N ATOM 906 CA ALA A 80 -17.299 -8.351 -8.505 1.00 0.00 C ATOM 907 C ALA A 80 -15.881 -7.870 -8.882 1.00 0.00 C ATOM 908 O ALA A 80 -15.557 -6.695 -8.726 1.00 0.00 O ATOM 909 CB ALA A 80 -17.434 -8.576 -6.995 1.00 0.00 C ATOM 0 H ALA A 80 -17.608 -10.420 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.989 -7.559 -8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -17.163 -7.663 -6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.464 -8.842 -6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.771 -9.384 -6.687 1.00 0.00 H new ATOM 915 N LEU A 81 -15.035 -8.797 -9.367 1.00 0.00 N ATOM 916 CA LEU A 81 -13.727 -8.455 -9.968 1.00 0.00 C ATOM 917 C LEU A 81 -13.940 -7.803 -11.346 1.00 0.00 C ATOM 918 O LEU A 81 -13.252 -6.840 -11.707 1.00 0.00 O ATOM 919 CB LEU A 81 -12.830 -9.724 -10.108 1.00 0.00 C ATOM 920 CG LEU A 81 -12.358 -10.378 -8.770 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.520 -11.655 -9.017 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.587 -9.365 -7.904 1.00 0.00 C ATOM 0 H LEU A 81 -15.234 -9.797 -9.355 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.219 -7.750 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.379 -10.471 -10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.948 -9.459 -10.691 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.251 -10.681 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.212 -12.078 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.120 -12.385 -9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.637 -11.403 -9.604 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.269 -9.845 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.711 -9.013 -8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.234 -8.519 -7.671 1.00 0.00 H new ATOM 934 N GLN A 82 -14.912 -8.349 -12.096 1.00 0.00 N ATOM 935 CA GLN A 82 -15.226 -7.920 -13.467 1.00 0.00 C ATOM 936 C GLN A 82 -15.838 -6.505 -13.493 1.00 0.00 C ATOM 937 O GLN A 82 -15.494 -5.683 -14.357 1.00 0.00 O ATOM 938 CB GLN A 82 -16.208 -8.923 -14.130 1.00 0.00 C ATOM 939 CG GLN A 82 -16.481 -8.650 -15.627 1.00 0.00 C ATOM 940 CD GLN A 82 -17.574 -9.537 -16.231 1.00 0.00 C ATOM 941 OE1 GLN A 82 -18.541 -9.899 -15.561 1.00 0.00 O ATOM 942 NE2 GLN A 82 -17.425 -9.900 -17.498 1.00 0.00 N ATOM 0 H GLN A 82 -15.507 -9.108 -11.763 1.00 0.00 H new ATOM 0 HA GLN A 82 -14.291 -7.897 -14.027 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.807 -9.931 -14.024 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -17.154 -8.898 -13.590 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.766 -7.605 -15.749 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.557 -8.796 -16.187 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -16.612 -9.584 -18.027 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -18.123 -10.496 -17.943 1.00 0.00 H new ATOM 951 N PHE A 83 -16.763 -6.236 -12.555 1.00 0.00 N ATOM 952 CA PHE A 83 -17.494 -4.964 -12.505 1.00 0.00 C ATOM 953 C PHE A 83 -16.630 -3.903 -11.787 1.00 0.00 C ATOM 954 O PHE A 83 -16.175 -4.109 -10.656 1.00 0.00 O ATOM 955 CB PHE A 83 -18.877 -5.175 -11.832 1.00 0.00 C ATOM 956 CG PHE A 83 -19.857 -3.997 -11.923 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.868 -3.140 -13.030 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.790 -3.769 -10.910 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.780 -2.102 -13.116 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.698 -2.729 -10.998 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.692 -1.895 -12.098 1.00 0.00 C ATOM 0 H PHE A 83 -17.021 -6.891 -11.817 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.688 -4.596 -13.512 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.348 -6.049 -12.282 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.715 -5.406 -10.779 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.156 -3.291 -13.828 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.803 -4.414 -10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.779 -1.453 -13.979 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.413 -2.569 -10.204 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.399 -1.081 -12.163 1.00 0.00 H new ATOM 971 N GLU A 84 -16.407 -2.774 -12.487 1.00 0.00 N ATOM 972 CA GLU A 84 -15.481 -1.698 -12.076 1.00 0.00 C ATOM 973 C GLU A 84 -15.917 -1.003 -10.772 1.00 0.00 C ATOM 974 O GLU A 84 -15.083 -0.492 -10.016 1.00 0.00 O ATOM 975 CB GLU A 84 -15.360 -0.666 -13.227 1.00 0.00 C ATOM 976 CG GLU A 84 -16.700 0.006 -13.628 1.00 0.00 C ATOM 977 CD GLU A 84 -16.566 0.961 -14.822 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.240 2.151 -14.617 1.00 0.00 O ATOM 979 OE2 GLU A 84 -16.756 0.519 -15.971 1.00 0.00 O ATOM 0 H GLU A 84 -16.875 -2.579 -13.372 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.511 -2.151 -11.873 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.653 0.109 -12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.941 -1.163 -14.102 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.428 -0.768 -13.870 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.093 0.557 -12.773 1.00 0.00 H new ATOM 986 N ASP A 85 -17.230 -1.007 -10.524 1.00 0.00 N ATOM 987 CA ASP A 85 -17.830 -0.412 -9.320 1.00 0.00 C ATOM 988 C ASP A 85 -17.503 -1.250 -8.071 1.00 0.00 C ATOM 989 O ASP A 85 -17.299 -0.713 -6.985 1.00 0.00 O ATOM 990 CB ASP A 85 -19.363 -0.311 -9.510 1.00 0.00 C ATOM 991 CG ASP A 85 -20.093 0.250 -8.277 1.00 0.00 C ATOM 992 OD1 ASP A 85 -20.024 1.476 -8.056 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.756 -0.523 -7.541 1.00 0.00 O ATOM 0 H ASP A 85 -17.913 -1.425 -11.155 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.413 0.584 -9.174 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.575 0.325 -10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.760 -1.300 -9.740 1.00 0.00 H new ATOM 998 N THR A 86 -17.460 -2.569 -8.256 1.00 0.00 N ATOM 999 CA THR A 86 -17.345 -3.538 -7.160 1.00 0.00 C ATOM 1000 C THR A 86 -15.882 -3.970 -6.886 1.00 0.00 C ATOM 1001 O THR A 86 -15.569 -4.424 -5.771 1.00 0.00 O ATOM 1002 CB THR A 86 -18.236 -4.778 -7.495 1.00 0.00 C ATOM 1003 OG1 THR A 86 -17.929 -5.252 -8.803 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.736 -4.454 -7.442 1.00 0.00 C ATOM 0 H THR A 86 -17.504 -3.002 -9.179 1.00 0.00 H new ATOM 0 HA THR A 86 -17.690 -3.058 -6.244 1.00 0.00 H new ATOM 0 HB THR A 86 -18.020 -5.535 -6.741 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.033 -5.649 -8.805 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.310 -5.349 -7.682 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.999 -4.112 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 86 -19.965 -3.671 -8.165 1.00 0.00 H new ATOM 1012 N ARG A 87 -14.989 -3.796 -7.892 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.575 -4.277 -7.831 1.00 0.00 C ATOM 1014 C ARG A 87 -12.754 -3.534 -6.750 1.00 0.00 C ATOM 1015 O ARG A 87 -11.743 -4.054 -6.248 1.00 0.00 O ATOM 1016 CB ARG A 87 -12.880 -4.136 -9.213 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.630 -2.675 -9.637 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.897 -2.548 -10.975 1.00 0.00 C ATOM 1019 NE ARG A 87 -11.650 -1.136 -11.315 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.448 -0.654 -12.546 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -11.513 -1.442 -13.614 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.207 0.636 -12.699 1.00 0.00 N ATOM 0 H ARG A 87 -15.221 -3.322 -8.765 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.613 -5.331 -7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.927 -4.665 -9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.494 -4.624 -9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.586 -2.155 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.048 -2.174 -8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.949 -3.084 -10.926 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.488 -3.016 -11.762 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.631 -0.468 -10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.720 -2.435 -13.504 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.356 -1.054 -14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.177 1.249 -11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.051 1.019 -13.632 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.198 -2.315 -6.417 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.564 -1.465 -5.396 1.00 0.00 C ATOM 1038 C GLU A 88 -12.697 -2.085 -3.987 1.00 0.00 C ATOM 1039 O GLU A 88 -11.757 -2.031 -3.191 1.00 0.00 O ATOM 1040 CB GLU A 88 -13.174 -0.041 -5.443 1.00 0.00 C ATOM 1041 CG GLU A 88 -14.715 -0.004 -5.324 1.00 0.00 C ATOM 1042 CD GLU A 88 -15.287 1.413 -5.173 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -15.326 1.923 -4.031 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -15.678 2.030 -6.187 1.00 0.00 O ATOM 0 H GLU A 88 -14.015 -1.886 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.499 -1.395 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.745 0.552 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.882 0.436 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.150 -0.470 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.019 -0.603 -4.465 1.00 0.00 H new ATOM 1051 N SER A 89 -13.854 -2.709 -3.716 1.00 0.00 N ATOM 1052 CA SER A 89 -14.147 -3.358 -2.417 1.00 0.00 C ATOM 1053 C SER A 89 -13.422 -4.711 -2.302 1.00 0.00 C ATOM 1054 O SER A 89 -13.146 -5.178 -1.194 1.00 0.00 O ATOM 1055 CB SER A 89 -15.667 -3.548 -2.258 1.00 0.00 C ATOM 1056 OG SER A 89 -16.021 -4.144 -1.012 1.00 0.00 O ATOM 0 H SER A 89 -14.617 -2.781 -4.389 1.00 0.00 H new ATOM 0 HA SER A 89 -13.783 -2.713 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.161 -2.580 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.038 -4.171 -3.072 1.00 0.00 H new ATOM 0 HG SER A 89 -16.995 -4.241 -0.961 1.00 0.00 H new ATOM 1062 N MET A 90 -13.100 -5.316 -3.464 1.00 0.00 N ATOM 1063 CA MET A 90 -12.387 -6.614 -3.547 1.00 0.00 C ATOM 1064 C MET A 90 -10.968 -6.525 -2.945 1.00 0.00 C ATOM 1065 O MET A 90 -10.388 -7.545 -2.576 1.00 0.00 O ATOM 1066 CB MET A 90 -12.313 -7.088 -5.015 1.00 0.00 C ATOM 1067 CG MET A 90 -13.667 -7.248 -5.729 1.00 0.00 C ATOM 1068 SD MET A 90 -14.669 -8.606 -5.094 1.00 0.00 S ATOM 1069 CE MET A 90 -15.722 -7.827 -3.874 1.00 0.00 C ATOM 0 H MET A 90 -13.327 -4.919 -4.376 1.00 0.00 H new ATOM 0 HA MET A 90 -12.951 -7.340 -2.962 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.707 -6.378 -5.578 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.792 -8.045 -5.044 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.229 -6.319 -5.634 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.490 -7.406 -6.793 1.00 0.00 H new ATOM 0 HE1 MET A 90 -15.762 -8.447 -2.979 1.00 0.00 H new ATOM 0 HE2 MET A 90 -15.320 -6.847 -3.619 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.727 -7.712 -4.281 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.432 -5.290 -2.854 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.114 -5.011 -2.239 1.00 0.00 C ATOM 1081 C HIS A 91 -9.123 -5.348 -0.732 1.00 0.00 C ATOM 1082 O HIS A 91 -8.097 -5.748 -0.167 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.721 -3.523 -2.456 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.644 -3.103 -3.905 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -9.022 -1.849 -4.339 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -8.223 -3.762 -5.012 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -8.819 -1.751 -5.635 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -8.337 -2.898 -6.069 1.00 0.00 N ATOM 0 H HIS A 91 -10.901 -4.455 -3.205 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.373 -5.646 -2.724 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.446 -2.890 -1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.754 -3.343 -1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.864 -4.780 -5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.014 -0.878 -6.241 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.089 -3.109 -7.036 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.305 -5.173 -0.100 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.534 -5.541 1.309 1.00 0.00 C ATOM 1099 C ALA A 92 -10.514 -7.073 1.485 1.00 0.00 C ATOM 1100 O ALA A 92 -9.900 -7.594 2.421 1.00 0.00 O ATOM 1101 CB ALA A 92 -11.873 -4.961 1.806 1.00 0.00 C ATOM 0 H ALA A 92 -11.125 -4.772 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.727 -5.118 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.027 -5.242 2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.852 -3.874 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.688 -5.356 1.200 1.00 0.00 H new ATOM 1107 N PHE A 93 -11.183 -7.779 0.556 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.280 -9.256 0.584 1.00 0.00 C ATOM 1109 C PHE A 93 -9.949 -9.918 0.183 1.00 0.00 C ATOM 1110 O PHE A 93 -9.681 -11.062 0.566 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.424 -9.738 -0.347 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.796 -9.202 0.052 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.557 -9.837 1.030 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.314 -8.048 -0.530 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.792 -9.341 1.398 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.554 -7.555 -0.161 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.287 -8.199 0.808 1.00 0.00 C ATOM 0 H PHE A 93 -11.669 -7.349 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.504 -9.555 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.205 -9.430 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.452 -10.828 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -14.177 -10.728 1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.739 -7.529 -1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -16.373 -9.851 2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -15.945 -6.666 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.249 -7.810 1.106 1.00 0.00 H new ATOM 1127 N CYS A 94 -9.115 -9.178 -0.577 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.810 -9.656 -1.037 1.00 0.00 C ATOM 1129 C CYS A 94 -6.826 -9.650 0.135 1.00 0.00 C ATOM 1130 O CYS A 94 -6.375 -8.587 0.573 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.283 -8.787 -2.204 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.802 -9.448 -2.998 1.00 0.00 S ATOM 0 H CYS A 94 -9.335 -8.231 -0.885 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.915 -10.675 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.069 -8.685 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.067 -7.786 -1.830 1.00 0.00 H new ATOM 0 HG CYS A 94 -5.547 -10.631 -2.524 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.541 -10.848 0.671 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.560 -11.037 1.756 1.00 0.00 C ATOM 1140 C VAL A 95 -4.119 -11.062 1.186 1.00 0.00 C ATOM 1141 O VAL A 95 -3.143 -11.063 1.946 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.860 -12.348 2.575 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -7.298 -12.325 3.169 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -5.628 -13.616 1.719 1.00 0.00 C ATOM 0 H VAL A 95 -6.984 -11.714 0.365 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.647 -10.192 2.440 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.157 -12.382 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.475 -13.243 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.403 -11.468 3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.025 -12.247 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.844 -14.502 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.286 -13.594 0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.590 -13.646 1.387 1.00 0.00 H new ATOM 1154 N GLY A 96 -4.011 -11.112 -0.158 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.732 -10.986 -0.857 1.00 0.00 C ATOM 1156 C GLY A 96 -2.758 -11.617 -2.240 1.00 0.00 C ATOM 1157 O GLY A 96 -3.829 -11.873 -2.791 1.00 0.00 O ATOM 0 H GLY A 96 -4.809 -11.241 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.474 -9.931 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.949 -11.456 -0.262 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.561 -11.826 -2.810 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.351 -12.578 -4.062 1.00 0.00 C ATOM 1163 C GLN A 97 -0.907 -14.005 -3.725 1.00 0.00 C ATOM 1164 O GLN A 97 -0.137 -14.200 -2.791 1.00 0.00 O ATOM 1165 CB GLN A 97 -0.252 -11.890 -4.919 1.00 0.00 C ATOM 1166 CG GLN A 97 0.130 -12.627 -6.225 1.00 0.00 C ATOM 1167 CD GLN A 97 1.357 -12.046 -6.938 1.00 0.00 C ATOM 1168 OE1 GLN A 97 1.636 -10.849 -6.871 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.079 -12.893 -7.658 1.00 0.00 N ATOM 0 H GLN A 97 -0.694 -11.471 -2.407 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.283 -12.601 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.590 -10.886 -5.174 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.644 -11.779 -4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.320 -13.675 -5.995 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.720 -12.599 -6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.822 -13.880 -7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.891 -12.558 -8.176 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.377 -14.985 -4.501 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.919 -16.377 -4.394 1.00 0.00 C ATOM 1180 C TYR A 98 0.485 -16.521 -5.003 1.00 0.00 C ATOM 1181 O TYR A 98 0.766 -15.970 -6.079 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.907 -17.319 -5.111 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.577 -18.819 -5.003 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.558 -19.463 -3.764 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.302 -19.590 -6.137 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.276 -20.810 -3.667 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.026 -20.932 -6.036 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.014 -21.539 -4.806 1.00 0.00 C ATOM 1189 OH TYR A 98 -0.739 -22.884 -4.720 1.00 0.00 O ATOM 0 H TYR A 98 -2.085 -14.839 -5.221 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.875 -16.651 -3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.904 -17.152 -4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.944 -17.046 -6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.767 -18.898 -2.868 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.307 -19.122 -7.110 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.261 -21.292 -2.700 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.818 -21.509 -6.925 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.579 -23.243 -5.618 1.00 0.00 H new ATOM 1199 N LEU A 99 1.342 -17.279 -4.318 1.00 0.00 N ATOM 1200 CA LEU A 99 2.703 -17.553 -4.755 1.00 0.00 C ATOM 1201 C LEU A 99 2.978 -19.052 -4.560 1.00 0.00 C ATOM 1202 O LEU A 99 2.869 -19.576 -3.443 1.00 0.00 O ATOM 1203 CB LEU A 99 3.695 -16.635 -3.964 1.00 0.00 C ATOM 1204 CG LEU A 99 5.207 -16.607 -4.408 1.00 0.00 C ATOM 1205 CD1 LEU A 99 6.009 -17.800 -3.853 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.356 -16.489 -5.944 1.00 0.00 C ATOM 0 H LEU A 99 1.103 -17.724 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 99 2.842 -17.325 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.315 -15.615 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.662 -16.936 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 99 5.637 -15.708 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.043 -17.731 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.980 -17.783 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.572 -18.731 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.414 -16.473 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.876 -17.342 -6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.883 -15.568 -6.286 1.00 0.00 H new ATOM 1218 N GLU A 100 3.294 -19.733 -5.673 1.00 0.00 N ATOM 1219 CA GLU A 100 3.710 -21.138 -5.676 1.00 0.00 C ATOM 1220 C GLU A 100 5.210 -21.248 -5.304 1.00 0.00 C ATOM 1221 O GLU A 100 5.996 -20.373 -5.692 1.00 0.00 O ATOM 1222 CB GLU A 100 3.461 -21.746 -7.082 1.00 0.00 C ATOM 1223 CG GLU A 100 1.981 -21.845 -7.475 1.00 0.00 C ATOM 1224 CD GLU A 100 1.763 -22.479 -8.854 1.00 0.00 C ATOM 1225 OE1 GLU A 100 1.763 -23.726 -8.945 1.00 0.00 O ATOM 1226 OE2 GLU A 100 1.613 -21.741 -9.852 1.00 0.00 O ATOM 0 H GLU A 100 3.266 -19.316 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 100 3.128 -21.690 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.982 -21.141 -7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.901 -22.742 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.451 -22.432 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.542 -20.847 -7.468 1.00 0.00 H new ATOM 1233 N PRO A 101 5.643 -22.338 -4.590 1.00 0.00 N ATOM 1234 CA PRO A 101 7.050 -22.484 -4.129 1.00 0.00 C ATOM 1235 C PRO A 101 8.027 -22.680 -5.313 1.00 0.00 C ATOM 1236 O PRO A 101 9.215 -22.360 -5.220 1.00 0.00 O ATOM 1237 CB PRO A 101 6.995 -23.736 -3.213 1.00 0.00 C ATOM 1238 CG PRO A 101 5.843 -24.537 -3.744 1.00 0.00 C ATOM 1239 CD PRO A 101 4.819 -23.518 -4.199 1.00 0.00 C ATOM 0 HA PRO A 101 7.421 -21.598 -3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.926 -24.302 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.839 -23.459 -2.170 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.156 -25.175 -4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 101 5.432 -25.191 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.229 -23.890 -5.037 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.119 -23.271 -3.401 1.00 0.00 H new ATOM 1247 N ASP A 102 7.487 -23.198 -6.431 1.00 0.00 N ATOM 1248 CA ASP A 102 8.220 -23.369 -7.694 1.00 0.00 C ATOM 1249 C ASP A 102 8.207 -22.065 -8.510 1.00 0.00 C ATOM 1250 O ASP A 102 9.131 -21.812 -9.264 1.00 0.00 O ATOM 1251 CB ASP A 102 7.596 -24.531 -8.513 1.00 0.00 C ATOM 1252 CG ASP A 102 8.307 -24.794 -9.857 1.00 0.00 C ATOM 1253 OD1 ASP A 102 9.361 -25.458 -9.860 1.00 0.00 O ATOM 1254 OD2 ASP A 102 7.816 -24.338 -10.914 1.00 0.00 O ATOM 0 H ASP A 102 6.518 -23.513 -6.481 1.00 0.00 H new ATOM 0 HA ASP A 102 9.257 -23.615 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.622 -25.441 -7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.547 -24.306 -8.705 1.00 0.00 H new ATOM 1259 N GLN A 103 7.150 -21.238 -8.333 1.00 0.00 N ATOM 1260 CA GLN A 103 6.961 -19.992 -9.108 1.00 0.00 C ATOM 1261 C GLN A 103 8.047 -18.957 -8.786 1.00 0.00 C ATOM 1262 O GLN A 103 8.494 -18.219 -9.668 1.00 0.00 O ATOM 1263 CB GLN A 103 5.549 -19.394 -8.854 1.00 0.00 C ATOM 1264 CG GLN A 103 5.207 -18.158 -9.716 1.00 0.00 C ATOM 1265 CD GLN A 103 5.274 -18.425 -11.227 1.00 0.00 C ATOM 1266 OE1 GLN A 103 4.947 -19.513 -11.699 1.00 0.00 O ATOM 1267 NE2 GLN A 103 5.739 -17.455 -11.989 1.00 0.00 N ATOM 0 H GLN A 103 6.410 -21.415 -7.654 1.00 0.00 H new ATOM 0 HA GLN A 103 7.047 -20.248 -10.164 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.803 -20.167 -9.039 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.469 -19.120 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.205 -17.813 -9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.895 -17.350 -9.467 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.003 -16.562 -11.573 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.835 -17.598 -12.994 1.00 0.00 H new