USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 748 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 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -2.13 X(o=-2.1,f=-1.8!) USER MOD Single : A 10 THR OG1 : rot -59:sc= -1.25 USER MOD Single : A 14 GLN : amide:sc= -1.17 K(o=-1.2,f=-4.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= -0.0217 (180deg=-0.0217) USER MOD Single : A 21 ASN : amide:sc= -3.58 K(o=-3.6,f=-6.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -1.23 F(o=-3.2,f=-1.2) USER MOD Single : A 70 MET CE :methyl -115:sc= -9.38! (180deg=-14.5!) USER MOD Single : A 79 ASN : amide:sc= -5.09! C(o=-5.1!,f=-7.1!) USER MOD Single : A 88 THR OG1 : rot -79:sc= 0.512 USER MOD Single : A 105 SER OG : rot 180:sc= -0.978 USER MOD Single : A 111 HIS : no HD1:sc= -0.0265 X(o=-0.027,f=-0.12) USER MOD Single : A 116 SER OG : rot 151:sc= -2.65 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 0.814 8.074 -9.637 1.00 0.00 N ATOM 15 CA ILE A 3 1.161 7.690 -8.274 1.00 0.00 C ATOM 16 C ILE A 3 1.906 6.356 -8.257 1.00 0.00 C ATOM 17 O ILE A 3 2.383 5.895 -9.294 1.00 0.00 O ATOM 18 CB ILE A 3 -0.095 7.611 -7.378 1.00 0.00 C ATOM 19 CG1 ILE A 3 -0.912 6.354 -7.681 1.00 0.00 C ATOM 20 CG2 ILE A 3 -0.951 8.855 -7.571 1.00 0.00 C ATOM 21 CD1 ILE A 3 -1.438 6.299 -9.100 1.00 0.00 C ATOM 0 HA ILE A 3 1.819 8.461 -7.873 1.00 0.00 H new ATOM 0 HB ILE A 3 0.230 7.558 -6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.293 5.476 -7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.752 6.302 -6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.834 8.791 -6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.374 9.739 -7.302 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.259 8.927 -8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.007 5.380 -9.242 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.084 7.158 -9.282 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.602 6.319 -9.799 1.00 0.00 H new ATOM 33 N GLU A 4 2.012 5.739 -7.081 1.00 0.00 N ATOM 34 CA GLU A 4 2.713 4.463 -6.966 1.00 0.00 C ATOM 35 C GLU A 4 2.236 3.650 -5.764 1.00 0.00 C ATOM 36 O GLU A 4 1.814 4.201 -4.743 1.00 0.00 O ATOM 37 CB GLU A 4 4.222 4.702 -6.863 1.00 0.00 C ATOM 38 CG GLU A 4 5.043 3.824 -7.793 1.00 0.00 C ATOM 39 CD GLU A 4 4.919 4.238 -9.247 1.00 0.00 C ATOM 40 OE1 GLU A 4 3.892 3.902 -9.873 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.848 4.898 -9.756 1.00 0.00 O ATOM 0 H GLU A 4 1.627 6.096 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 4 2.489 3.887 -7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.432 5.748 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.540 4.525 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.091 3.866 -7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.722 2.788 -7.686 1.00 0.00 H new ATOM 48 N TRP A 5 2.327 2.326 -5.899 1.00 0.00 N ATOM 49 CA TRP A 5 1.927 1.407 -4.840 1.00 0.00 C ATOM 50 C TRP A 5 3.124 1.060 -3.962 1.00 0.00 C ATOM 51 O TRP A 5 3.798 0.055 -4.190 1.00 0.00 O ATOM 52 CB TRP A 5 1.355 0.120 -5.442 1.00 0.00 C ATOM 53 CG TRP A 5 -0.071 0.230 -5.881 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.529 0.292 -7.165 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.228 0.282 -5.040 1.00 0.00 C ATOM 56 NE1 TRP A 5 -1.900 0.378 -7.174 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.352 0.376 -5.882 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.421 0.258 -3.658 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.651 0.445 -5.383 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.709 0.327 -3.164 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.810 0.419 -4.026 1.00 0.00 C ATOM 0 H TRP A 5 2.677 1.866 -6.739 1.00 0.00 H new ATOM 0 HA TRP A 5 1.163 1.894 -4.235 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.965 -0.171 -6.297 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.436 -0.680 -4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.096 0.276 -8.046 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.486 0.434 -8.007 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.578 0.187 -2.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.502 0.516 -6.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.870 0.310 -2.096 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.805 0.470 -3.609 1.00 0.00 H new ATOM 72 N TYR A 6 3.390 1.892 -2.964 1.00 0.00 N ATOM 73 CA TYR A 6 4.514 1.662 -2.066 1.00 0.00 C ATOM 74 C TYR A 6 4.155 0.644 -0.992 1.00 0.00 C ATOM 75 O TYR A 6 3.128 0.767 -0.324 1.00 0.00 O ATOM 76 CB TYR A 6 4.957 2.974 -1.422 1.00 0.00 C ATOM 77 CG TYR A 6 5.766 3.851 -2.350 1.00 0.00 C ATOM 78 CD1 TYR A 6 7.142 3.696 -2.458 1.00 0.00 C ATOM 79 CD2 TYR A 6 5.153 4.828 -3.123 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.885 4.492 -3.308 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.888 5.628 -3.976 1.00 0.00 C ATOM 82 CZ TYR A 6 7.253 5.457 -4.066 1.00 0.00 C ATOM 83 OH TYR A 6 7.989 6.252 -4.913 1.00 0.00 O ATOM 0 H TYR A 6 2.845 2.729 -2.756 1.00 0.00 H new ATOM 0 HA TYR A 6 5.340 1.261 -2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.076 3.523 -1.090 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.549 2.753 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.639 2.941 -1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.084 4.965 -3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.955 4.360 -3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.396 6.384 -4.570 1.00 0.00 H new ATOM 0 HH TYR A 6 7.393 6.879 -5.374 1.00 0.00 H new ATOM 93 N ALA A 7 5.004 -0.365 -0.835 1.00 0.00 N ATOM 94 CA ALA A 7 4.769 -1.407 0.156 1.00 0.00 C ATOM 95 C ALA A 7 5.787 -1.336 1.288 1.00 0.00 C ATOM 96 O ALA A 7 6.995 -1.375 1.055 1.00 0.00 O ATOM 97 CB ALA A 7 4.806 -2.779 -0.502 1.00 0.00 C ATOM 0 H ALA A 7 5.858 -0.483 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 7 3.780 -1.245 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.629 -3.548 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.033 -2.836 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.783 -2.937 -0.959 1.00 0.00 H new ATOM 103 N VAL A 8 5.290 -1.238 2.518 1.00 0.00 N ATOM 104 CA VAL A 8 6.156 -1.168 3.688 1.00 0.00 C ATOM 105 C VAL A 8 6.235 -2.520 4.389 1.00 0.00 C ATOM 106 O VAL A 8 5.365 -3.375 4.211 1.00 0.00 O ATOM 107 CB VAL A 8 5.669 -0.109 4.695 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.723 0.136 5.764 1.00 0.00 C ATOM 109 CG2 VAL A 8 5.315 1.187 3.979 1.00 0.00 C ATOM 0 H VAL A 8 4.293 -1.205 2.729 1.00 0.00 H new ATOM 0 HA VAL A 8 7.145 -0.883 3.330 1.00 0.00 H new ATOM 0 HB VAL A 8 4.770 -0.485 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.361 0.887 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.923 -0.793 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.641 0.490 5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.973 1.923 4.707 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.195 1.569 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.523 0.998 3.255 1.00 0.00 H new ATOM 119 N HIS A 9 7.284 -2.705 5.184 1.00 0.00 N ATOM 120 CA HIS A 9 7.483 -3.953 5.913 1.00 0.00 C ATOM 121 C HIS A 9 7.190 -3.769 7.399 1.00 0.00 C ATOM 122 O HIS A 9 7.343 -2.674 7.940 1.00 0.00 O ATOM 123 CB HIS A 9 8.917 -4.455 5.724 1.00 0.00 C ATOM 124 CG HIS A 9 9.422 -4.324 4.321 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.899 -5.392 3.591 1.00 0.00 N ATOM 126 CD2 HIS A 9 9.521 -3.244 3.511 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.272 -4.974 2.394 1.00 0.00 C ATOM 128 NE2 HIS A 9 10.052 -3.675 2.320 1.00 0.00 N ATOM 0 H HIS A 9 8.010 -2.006 5.340 1.00 0.00 H new ATOM 0 HA HIS A 9 6.789 -4.692 5.513 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.577 -3.901 6.391 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.968 -5.502 6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.235 -2.232 3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.686 -5.591 1.610 1.00 0.00 H new ATOM 0 HE2 HIS A 9 10.245 -3.086 1.510 1.00 0.00 H new ATOM 137 N THR A 10 6.770 -4.847 8.051 1.00 0.00 N ATOM 138 CA THR A 10 6.456 -4.805 9.476 1.00 0.00 C ATOM 139 C THR A 10 6.550 -6.196 10.095 1.00 0.00 C ATOM 140 O THR A 10 6.679 -7.195 9.385 1.00 0.00 O ATOM 141 CB THR A 10 5.055 -4.233 9.696 1.00 0.00 C ATOM 142 OG1 THR A 10 4.078 -5.046 9.072 1.00 0.00 O ATOM 143 CG2 THR A 10 4.893 -2.825 9.160 1.00 0.00 C ATOM 0 H THR A 10 6.639 -5.761 7.617 1.00 0.00 H new ATOM 0 HA THR A 10 7.186 -4.158 9.963 1.00 0.00 H new ATOM 0 HB THR A 10 4.918 -4.211 10.777 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.263 -5.100 8.111 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.877 -2.479 9.348 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.600 -2.162 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.085 -2.820 8.087 1.00 0.00 H new ATOM 151 N LEU A 11 6.483 -6.255 11.420 1.00 0.00 N ATOM 152 CA LEU A 11 6.560 -7.524 12.135 1.00 0.00 C ATOM 153 C LEU A 11 5.186 -8.182 12.220 1.00 0.00 C ATOM 154 O LEU A 11 4.169 -7.502 12.364 1.00 0.00 O ATOM 155 CB LEU A 11 7.124 -7.309 13.541 1.00 0.00 C ATOM 156 CG LEU A 11 8.644 -7.440 13.655 1.00 0.00 C ATOM 157 CD1 LEU A 11 9.115 -7.002 15.033 1.00 0.00 C ATOM 158 CD2 LEU A 11 9.078 -8.870 13.372 1.00 0.00 C ATOM 0 H LEU A 11 6.375 -5.438 12.022 1.00 0.00 H new ATOM 0 HA LEU A 11 7.227 -8.185 11.582 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.833 -6.316 13.885 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.661 -8.029 14.216 1.00 0.00 H new ATOM 0 HG LEU A 11 9.103 -6.788 12.912 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.199 -7.102 15.096 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.836 -5.961 15.199 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.648 -7.628 15.793 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.162 -8.945 13.457 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.610 -9.541 14.092 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.773 -9.150 12.364 1.00 0.00 H new ATOM 170 N VAL A 12 5.164 -9.507 12.129 1.00 0.00 N ATOM 171 CA VAL A 12 3.916 -10.258 12.195 1.00 0.00 C ATOM 172 C VAL A 12 3.188 -9.999 13.511 1.00 0.00 C ATOM 173 O VAL A 12 3.764 -10.144 14.589 1.00 0.00 O ATOM 174 CB VAL A 12 4.161 -11.770 12.046 1.00 0.00 C ATOM 175 CG1 VAL A 12 4.466 -12.123 10.599 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.290 -12.222 12.961 1.00 0.00 C ATOM 0 H VAL A 12 5.997 -10.083 12.009 1.00 0.00 H new ATOM 0 HA VAL A 12 3.297 -9.915 11.366 1.00 0.00 H new ATOM 0 HB VAL A 12 3.253 -12.296 12.340 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.636 -13.196 10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.623 -11.839 9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.358 -11.587 10.274 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.448 -13.294 12.841 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.205 -11.689 12.701 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.027 -12.007 13.997 1.00 0.00 H new ATOM 186 N GLY A 13 1.919 -9.616 13.413 1.00 0.00 N ATOM 187 CA GLY A 13 1.134 -9.344 14.603 1.00 0.00 C ATOM 188 C GLY A 13 0.938 -7.858 14.842 1.00 0.00 C ATOM 189 O GLY A 13 -0.055 -7.445 15.439 1.00 0.00 O ATOM 0 H GLY A 13 1.421 -9.489 12.532 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.160 -9.825 14.510 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.627 -9.786 15.469 1.00 0.00 H new ATOM 193 N GLN A 14 1.888 -7.056 14.372 1.00 0.00 N ATOM 194 CA GLN A 14 1.816 -5.609 14.537 1.00 0.00 C ATOM 195 C GLN A 14 1.294 -4.937 13.268 1.00 0.00 C ATOM 196 O GLN A 14 0.754 -3.833 13.319 1.00 0.00 O ATOM 197 CB GLN A 14 3.194 -5.048 14.894 1.00 0.00 C ATOM 198 CG GLN A 14 3.540 -5.179 16.369 1.00 0.00 C ATOM 199 CD GLN A 14 5.035 -5.230 16.614 1.00 0.00 C ATOM 200 OE1 GLN A 14 5.809 -5.593 15.728 1.00 0.00 O ATOM 201 NE2 GLN A 14 5.448 -4.868 17.822 1.00 0.00 N ATOM 0 H GLN A 14 2.716 -7.383 13.874 1.00 0.00 H new ATOM 0 HA GLN A 14 1.121 -5.397 15.349 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.951 -5.564 14.304 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.233 -3.996 14.612 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.115 -4.337 16.915 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.079 -6.083 16.768 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.771 -4.574 18.526 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.443 -4.884 18.047 1.00 0.00 H new ATOM 210 N GLU A 15 1.461 -5.610 12.133 1.00 0.00 N ATOM 211 CA GLU A 15 1.006 -5.076 10.853 1.00 0.00 C ATOM 212 C GLU A 15 -0.485 -4.755 10.892 1.00 0.00 C ATOM 213 O GLU A 15 -0.898 -3.640 10.579 1.00 0.00 O ATOM 214 CB GLU A 15 1.295 -6.075 9.731 1.00 0.00 C ATOM 215 CG GLU A 15 1.167 -5.477 8.338 1.00 0.00 C ATOM 216 CD GLU A 15 0.417 -6.383 7.383 1.00 0.00 C ATOM 217 OE1 GLU A 15 0.903 -7.504 7.122 1.00 0.00 O ATOM 218 OE2 GLU A 15 -0.657 -5.973 6.894 1.00 0.00 O ATOM 0 H GLU A 15 1.908 -6.525 12.074 1.00 0.00 H new ATOM 0 HA GLU A 15 1.551 -4.152 10.660 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.303 -6.469 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.610 -6.918 9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.652 -4.518 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.162 -5.278 7.939 1.00 0.00 H new ATOM 225 N GLU A 16 -1.288 -5.743 11.276 1.00 0.00 N ATOM 226 CA GLU A 16 -2.734 -5.569 11.353 1.00 0.00 C ATOM 227 C GLU A 16 -3.096 -4.418 12.288 1.00 0.00 C ATOM 228 O GLU A 16 -3.990 -3.623 11.992 1.00 0.00 O ATOM 229 CB GLU A 16 -3.399 -6.859 11.836 1.00 0.00 C ATOM 230 CG GLU A 16 -3.254 -8.016 10.861 1.00 0.00 C ATOM 231 CD GLU A 16 -3.285 -9.367 11.552 1.00 0.00 C ATOM 232 OE1 GLU A 16 -2.980 -9.421 12.762 1.00 0.00 O ATOM 233 OE2 GLU A 16 -3.614 -10.368 10.882 1.00 0.00 O ATOM 0 H GLU A 16 -0.961 -6.673 11.539 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.099 -5.331 10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.966 -7.145 12.794 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.459 -6.670 12.009 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.057 -7.970 10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.316 -7.912 10.316 1.00 0.00 H new ATOM 240 N LYS A 17 -2.399 -4.334 13.415 1.00 0.00 N ATOM 241 CA LYS A 17 -2.647 -3.281 14.393 1.00 0.00 C ATOM 242 C LYS A 17 -2.134 -1.936 13.884 1.00 0.00 C ATOM 243 O LYS A 17 -2.714 -0.889 14.173 1.00 0.00 O ATOM 244 CB LYS A 17 -1.978 -3.624 15.724 1.00 0.00 C ATOM 245 CG LYS A 17 -2.635 -2.960 16.924 1.00 0.00 C ATOM 246 CD LYS A 17 -1.620 -2.209 17.774 1.00 0.00 C ATOM 247 CE LYS A 17 -2.289 -1.490 18.934 1.00 0.00 C ATOM 248 NZ LYS A 17 -1.294 -0.848 19.838 1.00 0.00 N ATOM 0 H LYS A 17 -1.657 -4.983 13.675 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.724 -3.206 14.545 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.996 -4.705 15.862 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.931 -3.325 15.682 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.406 -2.269 16.582 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.132 -3.716 17.532 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.877 -2.908 18.158 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.088 -1.487 17.155 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.970 -0.732 18.547 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.891 -2.199 19.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.790 -0.368 20.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.660 -1.574 20.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.736 -0.153 19.302 1.00 0.00 H new ATOM 262 N ALA A 18 -1.043 -1.972 13.129 1.00 0.00 N ATOM 263 CA ALA A 18 -0.451 -0.758 12.581 1.00 0.00 C ATOM 264 C ALA A 18 -1.423 -0.041 11.652 1.00 0.00 C ATOM 265 O ALA A 18 -1.560 1.181 11.705 1.00 0.00 O ATOM 266 CB ALA A 18 0.840 -1.087 11.846 1.00 0.00 C ATOM 0 H ALA A 18 -0.550 -2.830 12.882 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.225 -0.088 13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.272 -0.172 11.442 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.546 -1.546 12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.628 -1.779 11.031 1.00 0.00 H new ATOM 272 N LYS A 19 -2.099 -0.810 10.801 1.00 0.00 N ATOM 273 CA LYS A 19 -3.063 -0.251 9.854 1.00 0.00 C ATOM 274 C LYS A 19 -4.008 0.730 10.544 1.00 0.00 C ATOM 275 O LYS A 19 -4.125 1.885 10.135 1.00 0.00 O ATOM 276 CB LYS A 19 -3.866 -1.373 9.191 1.00 0.00 C ATOM 277 CG LYS A 19 -3.428 -1.674 7.767 1.00 0.00 C ATOM 278 CD LYS A 19 -4.535 -2.355 6.977 1.00 0.00 C ATOM 279 CE LYS A 19 -5.265 -1.369 6.080 1.00 0.00 C ATOM 280 NZ LYS A 19 -6.015 -0.352 6.867 1.00 0.00 N ATOM 0 H LYS A 19 -1.997 -1.823 10.747 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.507 0.292 9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.772 -2.279 9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.921 -1.100 9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.141 -0.747 7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.545 -2.313 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.111 -3.156 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.243 -2.817 7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.547 -0.868 5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.956 -1.910 5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.499 0.301 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.718 -0.827 7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.353 0.182 7.465 1.00 0.00 H new ATOM 294 N ALA A 20 -4.677 0.263 11.592 1.00 0.00 N ATOM 295 CA ALA A 20 -5.609 1.101 12.337 1.00 0.00 C ATOM 296 C ALA A 20 -4.911 2.341 12.883 1.00 0.00 C ATOM 297 O ALA A 20 -5.516 3.408 13.002 1.00 0.00 O ATOM 298 CB ALA A 20 -6.244 0.308 13.470 1.00 0.00 C ATOM 0 H ALA A 20 -4.592 -0.690 11.945 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.394 1.427 11.654 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.937 0.947 14.017 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.784 -0.545 13.059 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.466 -0.046 14.146 1.00 0.00 H new ATOM 304 N ASN A 21 -3.631 2.194 13.212 1.00 0.00 N ATOM 305 CA ASN A 21 -2.848 3.302 13.744 1.00 0.00 C ATOM 306 C ASN A 21 -2.670 4.397 12.697 1.00 0.00 C ATOM 307 O ASN A 21 -2.810 5.584 12.995 1.00 0.00 O ATOM 308 CB ASN A 21 -1.480 2.806 14.219 1.00 0.00 C ATOM 309 CG ASN A 21 -1.088 3.393 15.560 1.00 0.00 C ATOM 310 OD1 ASN A 21 -0.689 4.555 15.649 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.199 2.592 16.613 1.00 0.00 N ATOM 0 H ASN A 21 -3.115 1.319 13.119 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.389 3.721 14.592 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.496 1.719 14.292 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.725 3.065 13.477 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.949 2.933 17.541 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.534 1.636 16.494 1.00 0.00 H new ATOM 318 N LEU A 22 -2.362 3.994 11.468 1.00 0.00 N ATOM 319 CA LEU A 22 -2.165 4.946 10.380 1.00 0.00 C ATOM 320 C LEU A 22 -3.480 5.607 9.994 1.00 0.00 C ATOM 321 O LEU A 22 -3.633 6.816 10.121 1.00 0.00 O ATOM 322 CB LEU A 22 -1.567 4.254 9.153 1.00 0.00 C ATOM 323 CG LEU A 22 -0.555 3.149 9.455 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.132 2.699 8.176 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.468 3.628 10.475 1.00 0.00 C ATOM 0 H LEU A 22 -2.244 3.017 11.201 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.472 5.710 10.733 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.380 3.829 8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.083 5.007 8.531 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.086 2.297 9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.850 1.912 8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.613 2.318 7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.652 3.544 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.181 2.829 10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.998 4.495 10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.041 3.904 11.399 1.00 0.00 H new ATOM 337 N GLU A 23 -4.422 4.799 9.516 1.00 0.00 N ATOM 338 CA GLU A 23 -5.731 5.300 9.094 1.00 0.00 C ATOM 339 C GLU A 23 -6.266 6.363 10.052 1.00 0.00 C ATOM 340 O GLU A 23 -6.966 7.288 9.635 1.00 0.00 O ATOM 341 CB GLU A 23 -6.730 4.146 8.987 1.00 0.00 C ATOM 342 CG GLU A 23 -6.820 3.549 7.591 1.00 0.00 C ATOM 343 CD GLU A 23 -8.078 3.968 6.859 1.00 0.00 C ATOM 344 OE1 GLU A 23 -9.109 3.278 7.002 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.033 4.990 6.139 1.00 0.00 O ATOM 0 H GLU A 23 -4.305 3.791 9.410 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.605 5.764 8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.446 3.363 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.716 4.501 9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.948 3.854 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.790 2.462 7.662 1.00 0.00 H new ATOM 352 N LYS A 24 -5.930 6.234 11.330 1.00 0.00 N ATOM 353 CA LYS A 24 -6.380 7.195 12.330 1.00 0.00 C ATOM 354 C LYS A 24 -5.547 8.471 12.262 1.00 0.00 C ATOM 355 O LYS A 24 -6.083 9.577 12.324 1.00 0.00 O ATOM 356 CB LYS A 24 -6.295 6.587 13.732 1.00 0.00 C ATOM 357 CG LYS A 24 -7.390 7.066 14.669 1.00 0.00 C ATOM 358 CD LYS A 24 -8.748 6.512 14.267 1.00 0.00 C ATOM 359 CE LYS A 24 -8.858 5.026 14.575 1.00 0.00 C ATOM 360 NZ LYS A 24 -9.421 4.263 13.426 1.00 0.00 N ATOM 0 H LYS A 24 -5.351 5.478 11.697 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.419 7.446 12.118 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.346 5.501 13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.325 6.829 14.166 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.158 6.759 15.689 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.424 8.155 14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.533 7.053 14.795 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.908 6.677 13.201 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.873 4.633 14.825 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.490 4.882 15.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.480 3.255 13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.372 4.621 13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.805 4.379 12.597 1.00 0.00 H new ATOM 374 N ARG A 25 -4.236 8.309 12.126 1.00 0.00 N ATOM 375 CA ARG A 25 -3.330 9.449 12.042 1.00 0.00 C ATOM 376 C ARG A 25 -3.378 10.077 10.653 1.00 0.00 C ATOM 377 O ARG A 25 -3.109 11.269 10.489 1.00 0.00 O ATOM 378 CB ARG A 25 -1.899 9.015 12.370 1.00 0.00 C ATOM 379 CG ARG A 25 -1.718 8.555 13.809 1.00 0.00 C ATOM 380 CD ARG A 25 -0.760 9.459 14.569 1.00 0.00 C ATOM 381 NE ARG A 25 0.620 9.294 14.119 1.00 0.00 N ATOM 382 CZ ARG A 25 1.671 9.821 14.742 1.00 0.00 C ATOM 383 NH1 ARG A 25 1.505 10.549 15.840 1.00 0.00 N ATOM 384 NH2 ARG A 25 2.894 9.622 14.267 1.00 0.00 N ATOM 0 H ARG A 25 -3.777 7.400 12.072 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.652 10.194 12.770 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.611 8.206 11.699 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.222 9.847 12.175 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.685 8.543 14.312 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.341 7.533 13.820 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.062 10.498 14.439 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.823 9.240 15.635 1.00 0.00 H new ATOM 0 HE ARG A 25 0.788 8.742 13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.568 10.707 16.210 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.315 10.950 16.313 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.029 9.065 13.424 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.699 10.026 14.745 1.00 0.00 H new ATOM 398 N ILE A 26 -3.725 9.271 9.652 1.00 0.00 N ATOM 399 CA ILE A 26 -3.811 9.745 8.280 1.00 0.00 C ATOM 400 C ILE A 26 -5.167 10.396 8.014 1.00 0.00 C ATOM 401 O ILE A 26 -5.295 11.245 7.133 1.00 0.00 O ATOM 402 CB ILE A 26 -3.592 8.596 7.274 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.263 7.890 7.559 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.622 9.118 5.845 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.050 8.761 7.312 1.00 0.00 C ATOM 0 H ILE A 26 -3.951 8.283 9.770 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.022 10.485 8.145 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.402 7.876 7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.254 7.555 8.596 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.193 6.999 6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.466 8.291 5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.589 9.580 5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.833 9.858 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.145 8.196 7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.034 9.075 6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.096 9.640 7.955 1.00 0.00 H new ATOM 417 N LYS A 27 -6.177 9.992 8.781 1.00 0.00 N ATOM 418 CA LYS A 27 -7.521 10.537 8.624 1.00 0.00 C ATOM 419 C LYS A 27 -7.774 11.665 9.620 1.00 0.00 C ATOM 420 O LYS A 27 -8.541 12.588 9.344 1.00 0.00 O ATOM 421 CB LYS A 27 -8.565 9.435 8.812 1.00 0.00 C ATOM 422 CG LYS A 27 -9.947 9.815 8.305 1.00 0.00 C ATOM 423 CD LYS A 27 -10.992 8.790 8.717 1.00 0.00 C ATOM 424 CE LYS A 27 -12.388 9.208 8.282 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.257 9.539 9.445 1.00 0.00 N ATOM 0 H LYS A 27 -6.089 9.290 9.516 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.604 10.942 7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.231 8.537 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.631 9.185 9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.223 10.795 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.927 9.899 7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.747 7.823 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.970 8.662 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.319 10.073 7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.844 8.404 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.199 9.819 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.344 8.706 10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.835 10.324 9.981 1.00 0.00 H new ATOM 439 N ALA A 28 -7.124 11.586 10.776 1.00 0.00 N ATOM 440 CA ALA A 28 -7.281 12.601 11.811 1.00 0.00 C ATOM 441 C ALA A 28 -6.597 13.904 11.412 1.00 0.00 C ATOM 442 O ALA A 28 -7.159 14.987 11.570 1.00 0.00 O ATOM 443 CB ALA A 28 -6.726 12.098 13.135 1.00 0.00 C ATOM 0 H ALA A 28 -6.484 10.830 11.020 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.346 12.800 11.928 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.851 12.867 13.897 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.263 11.198 13.436 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.667 11.868 13.022 1.00 0.00 H new ATOM 449 N PHE A 29 -5.381 13.790 10.888 1.00 0.00 N ATOM 450 CA PHE A 29 -4.619 14.957 10.462 1.00 0.00 C ATOM 451 C PHE A 29 -5.083 15.442 9.091 1.00 0.00 C ATOM 452 O PHE A 29 -4.919 16.613 8.747 1.00 0.00 O ATOM 453 CB PHE A 29 -3.126 14.633 10.422 1.00 0.00 C ATOM 454 CG PHE A 29 -2.484 14.594 11.780 1.00 0.00 C ATOM 455 CD1 PHE A 29 -2.602 15.667 12.648 1.00 0.00 C ATOM 456 CD2 PHE A 29 -1.762 13.484 12.188 1.00 0.00 C ATOM 457 CE1 PHE A 29 -2.012 15.636 13.897 1.00 0.00 C ATOM 458 CE2 PHE A 29 -1.172 13.445 13.437 1.00 0.00 C ATOM 459 CZ PHE A 29 -1.296 14.522 14.292 1.00 0.00 C ATOM 0 H PHE A 29 -4.902 12.900 10.748 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.791 15.753 11.186 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.985 13.668 9.934 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.617 15.377 9.810 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.162 16.539 12.345 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.659 12.640 11.522 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.110 16.480 14.563 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.614 12.573 13.744 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.834 14.494 15.268 1.00 0.00 H new ATOM 469 N GLY A 30 -5.663 14.534 8.310 1.00 0.00 N ATOM 470 CA GLY A 30 -6.139 14.891 6.987 1.00 0.00 C ATOM 471 C GLY A 30 -5.105 14.629 5.912 1.00 0.00 C ATOM 472 O GLY A 30 -4.772 15.519 5.130 1.00 0.00 O ATOM 0 H GLY A 30 -5.811 13.559 8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.043 14.324 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.413 15.946 6.975 1.00 0.00 H new ATOM 476 N LEU A 31 -4.593 13.403 5.872 1.00 0.00 N ATOM 477 CA LEU A 31 -3.587 13.026 4.885 1.00 0.00 C ATOM 478 C LEU A 31 -4.218 12.263 3.728 1.00 0.00 C ATOM 479 O LEU A 31 -3.585 11.395 3.124 1.00 0.00 O ATOM 480 CB LEU A 31 -2.498 12.175 5.536 1.00 0.00 C ATOM 481 CG LEU A 31 -1.349 12.958 6.172 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.797 13.993 5.201 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.809 13.623 7.461 1.00 0.00 C ATOM 0 H LEU A 31 -4.858 12.654 6.511 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.140 13.940 4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.958 11.550 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.085 11.504 4.783 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.549 12.258 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.019 14.538 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.427 13.492 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.587 14.691 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.979 14.176 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.628 14.309 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.149 12.861 8.162 1.00 0.00 H new ATOM 495 N GLN A 32 -5.463 12.599 3.414 1.00 0.00 N ATOM 496 CA GLN A 32 -6.174 11.949 2.320 1.00 0.00 C ATOM 497 C GLN A 32 -5.746 12.514 0.965 1.00 0.00 C ATOM 498 O GLN A 32 -6.350 12.205 -0.061 1.00 0.00 O ATOM 499 CB GLN A 32 -7.685 12.111 2.499 1.00 0.00 C ATOM 500 CG GLN A 32 -8.334 10.964 3.256 1.00 0.00 C ATOM 501 CD GLN A 32 -9.743 11.289 3.709 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.997 11.487 4.898 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.673 11.343 2.761 1.00 0.00 N ATOM 0 H GLN A 32 -6.001 13.317 3.900 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.921 10.889 2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.882 13.043 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.152 12.198 1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.356 10.079 2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.725 10.716 4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.420 11.172 1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.640 11.555 3.007 1.00 0.00 H new ATOM 512 N ASP A 33 -4.699 13.342 0.963 1.00 0.00 N ATOM 513 CA ASP A 33 -4.204 13.937 -0.270 1.00 0.00 C ATOM 514 C ASP A 33 -3.017 13.147 -0.816 1.00 0.00 C ATOM 515 O ASP A 33 -2.699 13.228 -2.003 1.00 0.00 O ATOM 516 CB ASP A 33 -3.796 15.392 -0.031 1.00 0.00 C ATOM 517 CG ASP A 33 -4.935 16.360 -0.286 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.105 15.931 -0.213 1.00 0.00 O ATOM 519 OD2 ASP A 33 -4.655 17.546 -0.559 1.00 0.00 O ATOM 0 H ASP A 33 -4.183 13.612 1.800 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.007 13.909 -1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.449 15.505 0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.957 15.643 -0.680 1.00 0.00 H new ATOM 524 N LYS A 34 -2.365 12.382 0.055 1.00 0.00 N ATOM 525 CA LYS A 34 -1.216 11.579 -0.344 1.00 0.00 C ATOM 526 C LYS A 34 -1.601 10.110 -0.475 1.00 0.00 C ATOM 527 O LYS A 34 -1.397 9.495 -1.523 1.00 0.00 O ATOM 528 CB LYS A 34 -0.082 11.736 0.670 1.00 0.00 C ATOM 529 CG LYS A 34 0.272 13.184 0.964 1.00 0.00 C ATOM 530 CD LYS A 34 0.910 13.857 -0.241 1.00 0.00 C ATOM 531 CE LYS A 34 0.533 15.328 -0.323 1.00 0.00 C ATOM 532 NZ LYS A 34 1.332 16.159 0.618 1.00 0.00 N ATOM 0 H LYS A 34 -2.614 12.302 1.041 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.874 11.933 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.366 11.244 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.804 11.223 0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.627 13.728 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.956 13.228 1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.994 13.761 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.595 13.348 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.685 15.685 -1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.527 15.444 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.045 17.155 0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.168 15.835 1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.342 16.069 0.389 1.00 0.00 H new ATOM 546 N ILE A 35 -2.164 9.552 0.591 1.00 0.00 N ATOM 547 CA ILE A 35 -2.584 8.157 0.590 1.00 0.00 C ATOM 548 C ILE A 35 -3.945 8.005 -0.081 1.00 0.00 C ATOM 549 O ILE A 35 -4.984 8.174 0.557 1.00 0.00 O ATOM 550 CB ILE A 35 -2.662 7.586 2.020 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.425 7.991 2.825 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.802 6.072 1.978 1.00 0.00 C ATOM 553 CD1 ILE A 35 -0.122 7.566 2.186 1.00 0.00 C ATOM 0 H ILE A 35 -2.340 10.045 1.467 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.834 7.598 0.031 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.542 8.000 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.422 9.074 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.491 7.554 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.856 5.683 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.711 5.805 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.939 5.641 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.711 7.886 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.103 6.481 2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.033 8.024 1.201 1.00 0.00 H new ATOM 565 N PHE A 36 -3.931 7.693 -1.373 1.00 0.00 N ATOM 566 CA PHE A 36 -5.168 7.530 -2.130 1.00 0.00 C ATOM 567 C PHE A 36 -5.791 6.160 -1.887 1.00 0.00 C ATOM 568 O PHE A 36 -6.954 6.060 -1.500 1.00 0.00 O ATOM 569 CB PHE A 36 -4.912 7.724 -3.626 1.00 0.00 C ATOM 570 CG PHE A 36 -3.967 8.848 -3.935 1.00 0.00 C ATOM 571 CD1 PHE A 36 -4.316 10.161 -3.664 1.00 0.00 C ATOM 572 CD2 PHE A 36 -2.726 8.590 -4.493 1.00 0.00 C ATOM 573 CE1 PHE A 36 -3.445 11.196 -3.947 1.00 0.00 C ATOM 574 CE2 PHE A 36 -1.851 9.619 -4.777 1.00 0.00 C ATOM 575 CZ PHE A 36 -2.210 10.924 -4.504 1.00 0.00 C ATOM 0 H PHE A 36 -3.080 7.548 -1.917 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.867 8.291 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.510 6.799 -4.040 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.862 7.911 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.279 10.378 -3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.439 7.571 -4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.729 12.216 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.886 9.404 -5.212 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.527 11.731 -4.725 1.00 0.00 H new ATOM 585 N GLN A 37 -5.016 5.105 -2.126 1.00 0.00 N ATOM 586 CA GLN A 37 -5.517 3.747 -1.939 1.00 0.00 C ATOM 587 C GLN A 37 -4.789 3.028 -0.809 1.00 0.00 C ATOM 588 O GLN A 37 -3.743 3.477 -0.337 1.00 0.00 O ATOM 589 CB GLN A 37 -5.377 2.946 -3.232 1.00 0.00 C ATOM 590 CG GLN A 37 -5.892 3.674 -4.462 1.00 0.00 C ATOM 591 CD GLN A 37 -6.999 2.918 -5.170 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.172 3.038 -4.819 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.627 2.132 -6.175 1.00 0.00 N ATOM 0 H GLN A 37 -4.049 5.163 -2.446 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.570 3.823 -1.670 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.327 2.696 -3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.916 2.005 -3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.259 4.658 -4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.067 3.835 -5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.642 2.063 -6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.326 1.597 -6.690 1.00 0.00 H new ATOM 602 N VAL A 38 -5.354 1.901 -0.387 1.00 0.00 N ATOM 603 CA VAL A 38 -4.777 1.094 0.681 1.00 0.00 C ATOM 604 C VAL A 38 -5.126 -0.377 0.488 1.00 0.00 C ATOM 605 O VAL A 38 -6.146 -0.854 0.983 1.00 0.00 O ATOM 606 CB VAL A 38 -5.271 1.552 2.066 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.522 0.824 3.170 1.00 0.00 C ATOM 608 CG2 VAL A 38 -5.121 3.060 2.213 1.00 0.00 C ATOM 0 H VAL A 38 -6.219 1.524 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.696 1.225 0.635 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.329 1.304 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.886 1.162 4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.686 -0.249 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.456 1.037 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.475 3.367 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.072 3.334 2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.709 3.561 1.444 1.00 0.00 H new ATOM 618 N LEU A 39 -4.277 -1.088 -0.247 1.00 0.00 N ATOM 619 CA LEU A 39 -4.498 -2.503 -0.522 1.00 0.00 C ATOM 620 C LEU A 39 -4.059 -3.368 0.655 1.00 0.00 C ATOM 621 O LEU A 39 -3.007 -3.136 1.254 1.00 0.00 O ATOM 622 CB LEU A 39 -3.736 -2.921 -1.781 1.00 0.00 C ATOM 623 CG LEU A 39 -4.604 -3.225 -3.005 1.00 0.00 C ATOM 624 CD1 LEU A 39 -4.055 -2.531 -4.245 1.00 0.00 C ATOM 625 CD2 LEU A 39 -4.690 -4.728 -3.229 1.00 0.00 C ATOM 0 H LEU A 39 -3.428 -0.706 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.566 -2.651 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.036 -2.127 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.143 -3.806 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.607 -2.841 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.688 -2.762 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.042 -1.453 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.041 -2.881 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.310 -4.931 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.690 -5.129 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.132 -5.202 -2.352 1.00 0.00 H new ATOM 637 N ILE A 40 -4.869 -4.373 0.969 1.00 0.00 N ATOM 638 CA ILE A 40 -4.568 -5.285 2.064 1.00 0.00 C ATOM 639 C ILE A 40 -4.075 -6.629 1.531 1.00 0.00 C ATOM 640 O ILE A 40 -4.862 -7.438 1.041 1.00 0.00 O ATOM 641 CB ILE A 40 -5.804 -5.523 2.953 1.00 0.00 C ATOM 642 CG1 ILE A 40 -7.023 -5.872 2.095 1.00 0.00 C ATOM 643 CG2 ILE A 40 -6.083 -4.299 3.811 1.00 0.00 C ATOM 644 CD1 ILE A 40 -7.835 -7.025 2.640 1.00 0.00 C ATOM 0 H ILE A 40 -5.740 -4.576 0.479 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.785 -4.819 2.662 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.599 -6.366 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.663 -4.994 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.689 -6.118 1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.959 -4.483 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.222 -4.097 4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.269 -3.439 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.682 -7.217 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.210 -7.916 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.199 -6.775 3.636 1.00 0.00 H new ATOM 656 N PRO A 41 -2.755 -6.888 1.613 1.00 0.00 N ATOM 657 CA PRO A 41 -2.161 -8.141 1.130 1.00 0.00 C ATOM 658 C PRO A 41 -2.761 -9.385 1.790 1.00 0.00 C ATOM 659 O PRO A 41 -2.486 -10.508 1.369 1.00 0.00 O ATOM 660 CB PRO A 41 -0.680 -8.007 1.492 1.00 0.00 C ATOM 661 CG PRO A 41 -0.452 -6.543 1.640 1.00 0.00 C ATOM 662 CD PRO A 41 -1.737 -5.981 2.172 1.00 0.00 C ATOM 0 HA PRO A 41 -2.344 -8.278 0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.450 -8.538 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.044 -8.429 0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.374 -6.343 2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.193 -6.089 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.755 -5.978 3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.892 -4.952 1.847 1.00 0.00 H new ATOM 670 N THR A 42 -3.580 -9.182 2.821 1.00 0.00 N ATOM 671 CA THR A 42 -4.214 -10.294 3.518 1.00 0.00 C ATOM 672 C THR A 42 -5.579 -10.597 2.911 1.00 0.00 C ATOM 673 O THR A 42 -6.340 -9.685 2.587 1.00 0.00 O ATOM 674 CB THR A 42 -4.366 -9.974 5.008 1.00 0.00 C ATOM 675 OG1 THR A 42 -5.001 -8.720 5.187 1.00 0.00 O ATOM 676 CG2 THR A 42 -3.048 -9.928 5.749 1.00 0.00 C ATOM 0 H THR A 42 -3.818 -8.261 3.189 1.00 0.00 H new ATOM 0 HA THR A 42 -3.578 -11.172 3.408 1.00 0.00 H new ATOM 0 HB THR A 42 -4.966 -10.786 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.091 -8.533 6.145 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.229 -9.697 6.799 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.553 -10.896 5.671 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.412 -9.158 5.312 1.00 0.00 H new ATOM 948 N LYS A 59 -6.788 -14.466 5.692 1.00 0.00 N ATOM 949 CA LYS A 59 -5.510 -15.060 5.324 1.00 0.00 C ATOM 950 C LYS A 59 -4.442 -13.980 5.192 1.00 0.00 C ATOM 951 O LYS A 59 -4.695 -12.813 5.480 1.00 0.00 O ATOM 952 CB LYS A 59 -5.636 -15.840 4.014 1.00 0.00 C ATOM 953 CG LYS A 59 -4.939 -17.189 4.037 1.00 0.00 C ATOM 954 CD LYS A 59 -5.784 -18.243 4.737 1.00 0.00 C ATOM 955 CE LYS A 59 -4.989 -18.976 5.805 1.00 0.00 C ATOM 956 NZ LYS A 59 -3.856 -19.746 5.224 1.00 0.00 N ATOM 0 HA LYS A 59 -5.214 -15.752 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.692 -15.991 3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.222 -15.241 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.730 -17.509 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.979 -17.095 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.655 -17.770 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.156 -18.959 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.606 -18.257 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.648 -19.654 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.339 -20.231 5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.223 -20.450 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.213 -19.096 4.728 1.00 0.00 H new ATOM 970 N LYS A 60 -3.250 -14.373 4.760 1.00 0.00 N ATOM 971 CA LYS A 60 -2.152 -13.427 4.599 1.00 0.00 C ATOM 972 C LYS A 60 -1.271 -13.796 3.409 1.00 0.00 C ATOM 973 O LYS A 60 -0.324 -14.572 3.545 1.00 0.00 O ATOM 974 CB LYS A 60 -1.308 -13.376 5.874 1.00 0.00 C ATOM 975 CG LYS A 60 -2.104 -13.012 7.116 1.00 0.00 C ATOM 976 CD LYS A 60 -1.256 -12.242 8.118 1.00 0.00 C ATOM 977 CE LYS A 60 -0.239 -13.146 8.796 1.00 0.00 C ATOM 978 NZ LYS A 60 0.708 -12.375 9.647 1.00 0.00 N ATOM 0 H LYS A 60 -3.019 -15.336 4.516 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.583 -12.444 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.836 -14.347 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.506 -12.649 5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.968 -12.411 6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.486 -13.920 7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.739 -11.428 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.901 -11.789 8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.759 -13.883 9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.319 -13.697 8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.385 -13.027 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.223 -11.689 9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.178 -11.869 10.386 1.00 0.00 H new ATOM 992 N LEU A 61 -1.581 -13.231 2.245 1.00 0.00 N ATOM 993 CA LEU A 61 -0.804 -13.498 1.041 1.00 0.00 C ATOM 994 C LEU A 61 0.620 -12.983 1.205 1.00 0.00 C ATOM 995 O LEU A 61 1.586 -13.717 0.992 1.00 0.00 O ATOM 996 CB LEU A 61 -1.460 -12.845 -0.179 1.00 0.00 C ATOM 997 CG LEU A 61 -2.930 -13.204 -0.393 1.00 0.00 C ATOM 998 CD1 LEU A 61 -3.604 -12.172 -1.284 1.00 0.00 C ATOM 999 CD2 LEU A 61 -3.054 -14.593 -0.997 1.00 0.00 C ATOM 0 H LEU A 61 -2.362 -12.588 2.111 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.774 -14.576 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.377 -11.763 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.899 -13.129 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.432 -13.203 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.650 -12.442 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.544 -11.190 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.102 -12.143 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.107 -14.834 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.539 -14.619 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.605 -15.324 -0.324 1.00 0.00 H new ATOM 1011 N PHE A 62 0.743 -11.719 1.595 1.00 0.00 N ATOM 1012 CA PHE A 62 2.051 -11.106 1.800 1.00 0.00 C ATOM 1013 C PHE A 62 2.236 -10.704 3.263 1.00 0.00 C ATOM 1014 O PHE A 62 2.038 -9.546 3.629 1.00 0.00 O ATOM 1015 CB PHE A 62 2.219 -9.880 0.897 1.00 0.00 C ATOM 1016 CG PHE A 62 1.864 -10.141 -0.539 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.541 -10.263 -0.929 1.00 0.00 C ATOM 1018 CD2 PHE A 62 2.856 -10.261 -1.500 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.212 -10.501 -2.250 1.00 0.00 C ATOM 1020 CE2 PHE A 62 2.534 -10.499 -2.822 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.210 -10.620 -3.199 1.00 0.00 C ATOM 0 H PHE A 62 -0.046 -11.099 1.776 1.00 0.00 H new ATOM 0 HA PHE A 62 2.812 -11.841 1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.595 -9.071 1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.252 -9.537 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.243 -10.171 -0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.893 -10.167 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.824 -10.594 -2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.317 -10.590 -3.561 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.956 -10.807 -4.232 1.00 0.00 H new ATOM 1031 N PRO A 63 2.615 -11.667 4.123 1.00 0.00 N ATOM 1032 CA PRO A 63 2.821 -11.413 5.555 1.00 0.00 C ATOM 1033 C PRO A 63 3.811 -10.282 5.812 1.00 0.00 C ATOM 1034 O PRO A 63 4.814 -10.149 5.111 1.00 0.00 O ATOM 1035 CB PRO A 63 3.380 -12.739 6.080 1.00 0.00 C ATOM 1036 CG PRO A 63 2.912 -13.764 5.106 1.00 0.00 C ATOM 1037 CD PRO A 63 2.867 -13.076 3.771 1.00 0.00 C ATOM 0 HA PRO A 63 1.899 -11.100 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.468 -12.715 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.014 -12.952 7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.589 -14.618 5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.929 -14.145 5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.804 -13.193 3.227 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.077 -13.480 3.137 1.00 0.00 H new ATOM 1045 N GLY A 64 3.524 -9.474 6.828 1.00 0.00 N ATOM 1046 CA GLY A 64 4.398 -8.366 7.170 1.00 0.00 C ATOM 1047 C GLY A 64 4.544 -7.364 6.042 1.00 0.00 C ATOM 1048 O GLY A 64 5.562 -6.680 5.940 1.00 0.00 O ATOM 0 H GLY A 64 2.700 -9.567 7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.006 -7.859 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.382 -8.753 7.435 1.00 0.00 H new ATOM 1052 N TYR A 65 3.527 -7.273 5.193 1.00 0.00 N ATOM 1053 CA TYR A 65 3.553 -6.343 4.069 1.00 0.00 C ATOM 1054 C TYR A 65 2.236 -5.582 3.956 1.00 0.00 C ATOM 1055 O TYR A 65 1.181 -6.082 4.348 1.00 0.00 O ATOM 1056 CB TYR A 65 3.829 -7.089 2.763 1.00 0.00 C ATOM 1057 CG TYR A 65 5.195 -7.741 2.708 1.00 0.00 C ATOM 1058 CD1 TYR A 65 6.351 -6.975 2.738 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.322 -9.121 2.624 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.599 -7.566 2.686 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.567 -9.720 2.572 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.702 -8.938 2.603 1.00 0.00 C ATOM 1063 OH TYR A 65 8.943 -9.531 2.551 1.00 0.00 O ATOM 0 H TYR A 65 2.675 -7.830 5.261 1.00 0.00 H new ATOM 0 HA TYR A 65 4.355 -5.627 4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.066 -7.855 2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.736 -6.392 1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.274 -5.900 2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.435 -9.736 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.490 -6.956 2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.650 -10.795 2.507 1.00 0.00 H new ATOM 0 HH TYR A 65 8.839 -10.504 2.496 1.00 0.00 H new ATOM 1073 N LEU A 66 2.308 -4.371 3.416 1.00 0.00 N ATOM 1074 CA LEU A 66 1.125 -3.535 3.239 1.00 0.00 C ATOM 1075 C LEU A 66 1.271 -2.664 1.995 1.00 0.00 C ATOM 1076 O LEU A 66 2.265 -1.956 1.841 1.00 0.00 O ATOM 1077 CB LEU A 66 0.906 -2.656 4.473 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.081 -3.216 5.499 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.068 -2.496 6.830 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.508 -3.098 4.983 1.00 0.00 C ATOM 0 H LEU A 66 3.176 -3.944 3.092 1.00 0.00 H new ATOM 0 HA LEU A 66 0.259 -4.184 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.867 -2.499 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.551 -1.679 4.146 1.00 0.00 H new ATOM 0 HG LEU A 66 0.143 -4.272 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.642 -2.907 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.083 -2.631 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.130 -1.433 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.198 -3.501 5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.743 -2.049 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.606 -3.659 4.054 1.00 0.00 H new ATOM 1092 N PHE A 67 0.284 -2.724 1.105 1.00 0.00 N ATOM 1093 CA PHE A 67 0.322 -1.941 -0.127 1.00 0.00 C ATOM 1094 C PHE A 67 -0.410 -0.613 0.040 1.00 0.00 C ATOM 1095 O PHE A 67 -1.534 -0.571 0.542 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.295 -2.735 -1.279 1.00 0.00 C ATOM 1097 CG PHE A 67 0.217 -4.144 -1.384 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.559 -4.428 -1.183 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.645 -5.184 -1.688 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.029 -5.725 -1.284 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.181 -6.480 -1.790 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.157 -6.752 -1.588 1.00 0.00 C ATOM 0 H PHE A 67 -0.548 -3.304 1.213 1.00 0.00 H new ATOM 0 HA PHE A 67 1.366 -1.729 -0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.377 -2.760 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.095 -2.214 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.245 -3.628 -0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.693 -4.979 -1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.077 -5.934 -1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.865 -7.281 -2.028 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.521 -7.766 -1.667 1.00 0.00 H new ATOM 1112 N ILE A 68 0.237 0.472 -0.380 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.353 1.803 -0.274 1.00 0.00 C ATOM 1114 C ILE A 68 -0.095 2.623 -1.534 1.00 0.00 C ATOM 1115 O ILE A 68 1.048 2.973 -1.830 1.00 0.00 O ATOM 1116 CB ILE A 68 0.205 2.585 0.935 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.417 1.663 2.138 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.729 3.730 1.298 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.863 1.266 2.342 1.00 0.00 C ATOM 0 H ILE A 68 1.168 0.455 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.424 1.651 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 68 1.174 2.998 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.054 2.161 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.184 0.763 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.324 4.273 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.822 4.407 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.711 3.332 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.942 0.613 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.224 0.740 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.466 2.159 2.504 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.158 2.941 -2.267 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.029 3.738 -3.480 1.00 0.00 C ATOM 1133 C GLN A 69 -0.903 5.213 -3.126 1.00 0.00 C ATOM 1134 O GLN A 69 -1.835 5.995 -3.329 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.227 3.520 -4.405 1.00 0.00 C ATOM 1136 CG GLN A 69 -1.905 3.732 -5.875 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.148 3.907 -6.726 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -3.770 5.076 -6.632 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -3.544 3.001 -7.459 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.113 2.660 -2.043 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.129 3.419 -4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.603 2.506 -4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.028 4.200 -4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.270 4.612 -5.981 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.334 2.880 -6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.034 2.118 -7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.382 3.133 -8.026 1.00 0.00 H new ATOM 1148 N MET A 70 0.251 5.579 -2.578 1.00 0.00 N ATOM 1149 CA MET A 70 0.515 6.958 -2.179 1.00 0.00 C ATOM 1150 C MET A 70 1.180 7.745 -3.306 1.00 0.00 C ATOM 1151 O MET A 70 1.292 7.263 -4.432 1.00 0.00 O ATOM 1152 CB MET A 70 1.392 6.988 -0.923 1.00 0.00 C ATOM 1153 CG MET A 70 2.762 6.360 -1.118 1.00 0.00 C ATOM 1154 SD MET A 70 3.413 5.632 0.397 1.00 0.00 S ATOM 1155 CE MET A 70 4.477 6.950 0.978 1.00 0.00 C ATOM 0 H MET A 70 1.023 4.936 -2.399 1.00 0.00 H new ATOM 0 HA MET A 70 -0.441 7.432 -1.957 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.519 8.023 -0.604 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.875 6.467 -0.117 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.699 5.591 -1.888 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.457 7.118 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.514 6.615 0.961 1.00 0.00 H new ATOM 0 HE2 MET A 70 4.366 7.820 0.330 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.200 7.219 1.997 1.00 0.00 H new ATOM 1165 N ASP A 71 1.628 8.956 -2.987 1.00 0.00 N ATOM 1166 CA ASP A 71 2.294 9.814 -3.962 1.00 0.00 C ATOM 1167 C ASP A 71 3.612 10.341 -3.400 1.00 0.00 C ATOM 1168 O ASP A 71 3.690 11.483 -2.946 1.00 0.00 O ATOM 1169 CB ASP A 71 1.390 10.986 -4.349 1.00 0.00 C ATOM 1170 CG ASP A 71 0.800 11.688 -3.142 1.00 0.00 C ATOM 1171 OD1 ASP A 71 1.152 11.312 -2.005 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -0.013 12.617 -3.334 1.00 0.00 O ATOM 0 H ASP A 71 1.541 9.366 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 71 2.503 9.220 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.962 11.703 -4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.582 10.623 -4.985 1.00 0.00 H new ATOM 1177 N LEU A 72 4.642 9.502 -3.428 1.00 0.00 N ATOM 1178 CA LEU A 72 5.954 9.884 -2.915 1.00 0.00 C ATOM 1179 C LEU A 72 6.714 10.730 -3.931 1.00 0.00 C ATOM 1180 O LEU A 72 7.337 11.731 -3.576 1.00 0.00 O ATOM 1181 CB LEU A 72 6.768 8.638 -2.561 1.00 0.00 C ATOM 1182 CG LEU A 72 6.389 7.967 -1.239 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.334 6.817 -0.936 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.399 8.981 -0.105 1.00 0.00 C ATOM 0 H LEU A 72 4.594 8.553 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 72 5.803 10.481 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.657 7.910 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.823 8.911 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 72 5.380 7.566 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.050 6.351 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.277 6.079 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.354 7.194 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.127 8.487 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.396 9.411 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.681 9.773 -0.319 1.00 0.00 H new ATOM 1245 N GLU A 77 13.006 15.040 -1.128 1.00 0.00 N ATOM 1246 CA GLU A 77 12.731 14.440 0.174 1.00 0.00 C ATOM 1247 C GLU A 77 11.241 14.145 0.332 1.00 0.00 C ATOM 1248 O GLU A 77 10.397 14.858 -0.210 1.00 0.00 O ATOM 1249 CB GLU A 77 13.200 15.369 1.295 1.00 0.00 C ATOM 1250 CG GLU A 77 12.654 16.783 1.181 1.00 0.00 C ATOM 1251 CD GLU A 77 11.834 17.194 2.390 1.00 0.00 C ATOM 1252 OE1 GLU A 77 10.609 16.949 2.386 1.00 0.00 O ATOM 1253 OE2 GLU A 77 12.417 17.757 3.338 1.00 0.00 O ATOM 0 HA GLU A 77 13.279 13.500 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.899 14.948 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.289 15.408 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.483 17.479 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.037 16.859 0.286 1.00 0.00 H new ATOM 1260 N PRO A 78 10.897 13.081 1.081 1.00 0.00 N ATOM 1261 CA PRO A 78 9.500 12.695 1.307 1.00 0.00 C ATOM 1262 C PRO A 78 8.662 13.848 1.849 1.00 0.00 C ATOM 1263 O PRO A 78 9.197 14.863 2.293 1.00 0.00 O ATOM 1264 CB PRO A 78 9.601 11.575 2.345 1.00 0.00 C ATOM 1265 CG PRO A 78 10.972 11.018 2.174 1.00 0.00 C ATOM 1266 CD PRO A 78 11.839 12.174 1.765 1.00 0.00 C ATOM 0 HA PRO A 78 9.007 12.393 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.453 11.957 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.841 10.812 2.178 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.330 10.570 3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.983 10.234 1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.304 12.653 2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.645 11.858 1.103 1.00 0.00 H new ATOM 1274 N ASN A 79 7.344 13.683 1.809 1.00 0.00 N ATOM 1275 CA ASN A 79 6.429 14.711 2.294 1.00 0.00 C ATOM 1276 C ASN A 79 6.118 14.511 3.774 1.00 0.00 C ATOM 1277 O ASN A 79 6.649 13.603 4.414 1.00 0.00 O ATOM 1278 CB ASN A 79 5.133 14.699 1.480 1.00 0.00 C ATOM 1279 CG ASN A 79 4.566 13.304 1.311 1.00 0.00 C ATOM 1280 OD1 ASN A 79 5.259 12.390 0.864 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.300 13.133 1.668 1.00 0.00 N ATOM 0 H ASN A 79 6.885 12.847 1.446 1.00 0.00 H new ATOM 0 HA ASN A 79 6.915 15.679 2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.393 15.331 1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.321 15.133 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.864 12.215 1.577 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.763 13.919 2.034 1.00 0.00 H new ATOM 1288 N GLU A 80 5.256 15.369 4.314 1.00 0.00 N ATOM 1289 CA GLU A 80 4.875 15.289 5.719 1.00 0.00 C ATOM 1290 C GLU A 80 4.210 13.952 6.037 1.00 0.00 C ATOM 1291 O GLU A 80 4.280 13.468 7.166 1.00 0.00 O ATOM 1292 CB GLU A 80 3.928 16.438 6.076 1.00 0.00 C ATOM 1293 CG GLU A 80 2.769 16.594 5.105 1.00 0.00 C ATOM 1294 CD GLU A 80 1.586 17.314 5.721 1.00 0.00 C ATOM 1295 OE1 GLU A 80 1.809 18.301 6.456 1.00 0.00 O ATOM 1296 OE2 GLU A 80 0.438 16.895 5.469 1.00 0.00 O ATOM 0 H GLU A 80 4.809 16.127 3.799 1.00 0.00 H new ATOM 0 HA GLU A 80 5.783 15.370 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.532 16.274 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.494 17.369 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.107 17.144 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.452 15.609 4.762 1.00 0.00 H new ATOM 1303 N ALA A 81 3.566 13.360 5.035 1.00 0.00 N ATOM 1304 CA ALA A 81 2.890 12.078 5.212 1.00 0.00 C ATOM 1305 C ALA A 81 3.843 11.024 5.766 1.00 0.00 C ATOM 1306 O ALA A 81 3.497 10.287 6.691 1.00 0.00 O ATOM 1307 CB ALA A 81 2.290 11.612 3.895 1.00 0.00 C ATOM 0 H ALA A 81 3.498 13.747 4.094 1.00 0.00 H new ATOM 0 HA ALA A 81 2.087 12.217 5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.789 10.655 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.568 12.349 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.082 11.497 3.155 1.00 0.00 H new ATOM 1313 N TRP A 82 5.041 10.957 5.195 1.00 0.00 N ATOM 1314 CA TRP A 82 6.040 9.990 5.635 1.00 0.00 C ATOM 1315 C TRP A 82 6.438 10.244 7.085 1.00 0.00 C ATOM 1316 O TRP A 82 6.762 9.313 7.821 1.00 0.00 O ATOM 1317 CB TRP A 82 7.275 10.056 4.734 1.00 0.00 C ATOM 1318 CG TRP A 82 8.074 8.788 4.733 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.421 8.670 4.927 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.580 7.461 4.525 1.00 0.00 C ATOM 1321 NE1 TRP A 82 9.792 7.348 4.855 1.00 0.00 N ATOM 1322 CE2 TRP A 82 8.680 6.587 4.608 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.312 6.926 4.278 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 8.550 5.210 4.453 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.185 5.558 4.125 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.298 4.714 4.214 1.00 0.00 C ATOM 0 H TRP A 82 5.343 11.559 4.429 1.00 0.00 H new ATOM 0 HA TRP A 82 5.603 8.994 5.566 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.961 10.281 3.715 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.911 10.879 5.061 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.095 9.494 5.110 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.741 6.992 4.967 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.448 7.570 4.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.407 4.556 4.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.211 5.133 3.934 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.165 3.649 4.091 1.00 0.00 H new ATOM 1337 N GLU A 83 6.409 11.510 7.488 1.00 0.00 N ATOM 1338 CA GLU A 83 6.763 11.884 8.852 1.00 0.00 C ATOM 1339 C GLU A 83 5.805 11.247 9.851 1.00 0.00 C ATOM 1340 O GLU A 83 6.196 10.896 10.965 1.00 0.00 O ATOM 1341 CB GLU A 83 6.748 13.409 9.006 1.00 0.00 C ATOM 1342 CG GLU A 83 8.133 14.021 9.126 1.00 0.00 C ATOM 1343 CD GLU A 83 8.630 14.059 10.558 1.00 0.00 C ATOM 1344 OE1 GLU A 83 8.287 15.018 11.281 1.00 0.00 O ATOM 1345 OE2 GLU A 83 9.364 13.130 10.958 1.00 0.00 O ATOM 0 H GLU A 83 6.144 12.293 6.890 1.00 0.00 H new ATOM 0 HA GLU A 83 7.769 11.518 9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.239 13.848 8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.166 13.671 9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.833 13.449 8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.115 15.034 8.724 1.00 0.00 H new ATOM 1352 N VAL A 84 4.547 11.100 9.447 1.00 0.00 N ATOM 1353 CA VAL A 84 3.533 10.502 10.305 1.00 0.00 C ATOM 1354 C VAL A 84 3.633 8.982 10.291 1.00 0.00 C ATOM 1355 O VAL A 84 3.732 8.346 11.341 1.00 0.00 O ATOM 1356 CB VAL A 84 2.113 10.916 9.871 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.085 10.447 10.889 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.033 12.423 9.676 1.00 0.00 C ATOM 0 H VAL A 84 4.206 11.388 8.530 1.00 0.00 H new ATOM 0 HA VAL A 84 3.716 10.868 11.315 1.00 0.00 H new ATOM 0 HB VAL A 84 1.890 10.437 8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.089 10.748 10.565 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.126 9.361 10.974 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.303 10.895 11.859 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.023 12.697 9.370 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.277 12.925 10.613 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.741 12.728 8.906 1.00 0.00 H new ATOM 1368 N VAL A 85 3.609 8.404 9.094 1.00 0.00 N ATOM 1369 CA VAL A 85 3.699 6.957 8.941 1.00 0.00 C ATOM 1370 C VAL A 85 4.994 6.423 9.542 1.00 0.00 C ATOM 1371 O VAL A 85 5.011 5.362 10.165 1.00 0.00 O ATOM 1372 CB VAL A 85 3.626 6.542 7.459 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.532 5.028 7.329 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.447 7.220 6.775 1.00 0.00 C ATOM 0 H VAL A 85 3.528 8.916 8.216 1.00 0.00 H new ATOM 0 HA VAL A 85 2.849 6.529 9.472 1.00 0.00 H new ATOM 0 HB VAL A 85 4.541 6.866 6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.481 4.756 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.411 4.569 7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.636 4.674 7.839 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.410 6.916 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.521 6.928 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.565 8.302 6.835 1.00 0.00 H new ATOM 1384 N ARG A 86 6.077 7.167 9.354 1.00 0.00 N ATOM 1385 CA ARG A 86 7.378 6.770 9.878 1.00 0.00 C ATOM 1386 C ARG A 86 7.451 6.989 11.388 1.00 0.00 C ATOM 1387 O ARG A 86 8.282 6.388 12.070 1.00 0.00 O ATOM 1388 CB ARG A 86 8.492 7.555 9.184 1.00 0.00 C ATOM 1389 CG ARG A 86 9.883 7.014 9.465 1.00 0.00 C ATOM 1390 CD ARG A 86 10.954 7.846 8.778 1.00 0.00 C ATOM 1391 NE ARG A 86 12.299 7.463 9.199 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.905 6.341 8.816 1.00 0.00 C ATOM 1393 NH1 ARG A 86 12.289 5.488 8.006 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.130 6.071 9.245 1.00 0.00 N ATOM 0 H ARG A 86 6.080 8.049 8.842 1.00 0.00 H new ATOM 0 HA ARG A 86 7.511 5.707 9.677 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.317 7.543 8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.445 8.596 9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.061 7.006 10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.949 5.981 9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.866 7.730 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.791 8.901 9.000 1.00 0.00 H new ATOM 0 HE ARG A 86 12.804 8.092 9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.346 5.691 7.674 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.759 4.630 7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.607 6.723 9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.595 5.212 8.952 1.00 0.00 H new ATOM 1408 N GLY A 87 6.581 7.851 11.904 1.00 0.00 N ATOM 1409 CA GLY A 87 6.571 8.130 13.328 1.00 0.00 C ATOM 1410 C GLY A 87 5.412 7.473 14.056 1.00 0.00 C ATOM 1411 O GLY A 87 5.209 7.711 15.247 1.00 0.00 O ATOM 0 H GLY A 87 5.883 8.361 11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.508 7.787 13.766 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.524 9.208 13.481 1.00 0.00 H new ATOM 1415 N THR A 88 4.649 6.643 13.347 1.00 0.00 N ATOM 1416 CA THR A 88 3.511 5.958 13.950 1.00 0.00 C ATOM 1417 C THR A 88 3.983 4.819 14.851 1.00 0.00 C ATOM 1418 O THR A 88 4.968 4.144 14.548 1.00 0.00 O ATOM 1419 CB THR A 88 2.577 5.414 12.867 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.317 4.769 11.847 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.729 6.484 12.213 1.00 0.00 C ATOM 0 H THR A 88 4.798 6.430 12.361 1.00 0.00 H new ATOM 0 HA THR A 88 2.964 6.680 14.557 1.00 0.00 H new ATOM 0 HB THR A 88 1.917 4.715 13.380 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.701 5.441 11.246 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.091 6.030 11.455 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.109 6.968 12.967 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.376 7.226 11.745 1.00 0.00 H new ATOM 1429 N PRO A 89 3.286 4.587 15.979 1.00 0.00 N ATOM 1430 CA PRO A 89 3.645 3.522 16.921 1.00 0.00 C ATOM 1431 C PRO A 89 3.441 2.132 16.328 1.00 0.00 C ATOM 1432 O PRO A 89 2.311 1.655 16.212 1.00 0.00 O ATOM 1433 CB PRO A 89 2.693 3.747 18.099 1.00 0.00 C ATOM 1434 CG PRO A 89 1.535 4.481 17.518 1.00 0.00 C ATOM 1435 CD PRO A 89 2.098 5.339 16.421 1.00 0.00 C ATOM 0 HA PRO A 89 4.699 3.562 17.197 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.380 2.801 18.541 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.172 4.325 18.889 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.790 3.788 17.128 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.039 5.090 18.274 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.383 5.475 15.610 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.362 6.333 16.783 1.00 0.00 H new ATOM 1443 N GLY A 90 4.540 1.485 15.957 1.00 0.00 N ATOM 1444 CA GLY A 90 4.462 0.156 15.382 1.00 0.00 C ATOM 1445 C GLY A 90 4.961 0.105 13.948 1.00 0.00 C ATOM 1446 O GLY A 90 4.674 -0.847 13.222 1.00 0.00 O ATOM 0 H GLY A 90 5.485 1.858 16.045 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.048 -0.533 15.990 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.429 -0.189 15.415 1.00 0.00 H new ATOM 1450 N ILE A 91 5.709 1.125 13.542 1.00 0.00 N ATOM 1451 CA ILE A 91 6.246 1.184 12.186 1.00 0.00 C ATOM 1452 C ILE A 91 7.769 1.076 12.196 1.00 0.00 C ATOM 1453 O ILE A 91 8.470 2.036 12.515 1.00 0.00 O ATOM 1454 CB ILE A 91 5.831 2.488 11.471 1.00 0.00 C ATOM 1455 CG1 ILE A 91 6.335 2.490 10.025 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.354 3.704 12.224 1.00 0.00 C ATOM 1457 CD1 ILE A 91 5.615 1.505 9.130 1.00 0.00 C ATOM 0 H ILE A 91 5.957 1.921 14.130 1.00 0.00 H new ATOM 0 HA ILE A 91 5.829 0.337 11.641 1.00 0.00 H new ATOM 0 HB ILE A 91 4.742 2.540 11.456 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.223 3.492 9.612 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.401 2.260 10.020 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.051 4.612 11.704 1.00 0.00 H new ATOM 0 HG22 ILE A 91 5.944 3.710 13.234 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.442 3.661 12.274 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.025 1.562 8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.748 0.495 9.519 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.552 1.747 9.104 1.00 0.00 H new ATOM 1567 N ARG A 100 15.240 3.483 0.494 1.00 0.00 N ATOM 1568 CA ARG A 100 14.027 4.239 0.207 1.00 0.00 C ATOM 1569 C ARG A 100 12.875 3.303 -0.151 1.00 0.00 C ATOM 1570 O ARG A 100 13.094 2.190 -0.628 1.00 0.00 O ATOM 1571 CB ARG A 100 14.272 5.225 -0.937 1.00 0.00 C ATOM 1572 CG ARG A 100 15.546 6.039 -0.781 1.00 0.00 C ATOM 1573 CD ARG A 100 16.146 6.399 -2.131 1.00 0.00 C ATOM 1574 NE ARG A 100 16.529 7.807 -2.202 1.00 0.00 N ATOM 1575 CZ ARG A 100 16.731 8.463 -3.343 1.00 0.00 C ATOM 1576 NH1 ARG A 100 16.592 7.842 -4.508 1.00 0.00 N ATOM 1577 NH2 ARG A 100 17.077 9.744 -3.318 1.00 0.00 N ATOM 0 HA ARG A 100 13.755 4.795 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 100 14.316 4.674 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.423 5.905 -1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.331 6.950 -0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 100 16.272 5.472 -0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 100 17.021 5.776 -2.317 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.425 6.179 -2.918 1.00 0.00 H new ATOM 0 HE ARG A 100 16.649 8.317 -1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.329 6.857 -4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.748 8.350 -5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.188 10.225 -2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 100 17.232 10.248 -4.191 1.00 0.00 H new ATOM 1591 N PRO A 101 11.626 3.747 0.069 1.00 0.00 N ATOM 1592 CA PRO A 101 10.437 2.945 -0.238 1.00 0.00 C ATOM 1593 C PRO A 101 10.474 2.372 -1.650 1.00 0.00 C ATOM 1594 O PRO A 101 10.952 3.023 -2.581 1.00 0.00 O ATOM 1595 CB PRO A 101 9.290 3.947 -0.095 1.00 0.00 C ATOM 1596 CG PRO A 101 9.792 4.960 0.873 1.00 0.00 C ATOM 1597 CD PRO A 101 11.274 5.067 0.631 1.00 0.00 C ATOM 0 HA PRO A 101 10.348 2.078 0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.041 4.404 -1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.385 3.463 0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.301 5.921 0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.585 4.655 1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.511 5.875 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.818 5.269 1.554 1.00 0.00 H new ATOM 1605 N VAL A 102 9.971 1.153 -1.806 1.00 0.00 N ATOM 1606 CA VAL A 102 9.952 0.495 -3.107 1.00 0.00 C ATOM 1607 C VAL A 102 8.528 0.125 -3.519 1.00 0.00 C ATOM 1608 O VAL A 102 7.857 -0.650 -2.833 1.00 0.00 O ATOM 1609 CB VAL A 102 10.820 -0.777 -3.105 1.00 0.00 C ATOM 1610 CG1 VAL A 102 10.945 -1.340 -4.512 1.00 0.00 C ATOM 1611 CG2 VAL A 102 12.191 -0.486 -2.515 1.00 0.00 C ATOM 0 H VAL A 102 9.571 0.600 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 102 10.361 1.205 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 102 10.333 -1.527 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.562 -2.238 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.955 -1.588 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.408 -0.597 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.791 -1.396 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.688 0.280 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.079 -0.133 -1.490 1.00 0.00 H new ATOM 1621 N PRO A 103 8.041 0.675 -4.646 1.00 0.00 N ATOM 1622 CA PRO A 103 6.694 0.398 -5.139 1.00 0.00 C ATOM 1623 C PRO A 103 6.631 -0.887 -5.961 1.00 0.00 C ATOM 1624 O PRO A 103 7.658 -1.400 -6.410 1.00 0.00 O ATOM 1625 CB PRO A 103 6.402 1.611 -6.016 1.00 0.00 C ATOM 1626 CG PRO A 103 7.731 2.017 -6.556 1.00 0.00 C ATOM 1627 CD PRO A 103 8.762 1.615 -5.527 1.00 0.00 C ATOM 0 HA PRO A 103 5.977 0.249 -4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.708 1.361 -6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.946 2.416 -5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.926 1.528 -7.510 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.763 3.092 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.627 1.142 -5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.130 2.478 -4.973 1.00 0.00 H new ATOM 1635 N LEU A 104 5.422 -1.404 -6.155 1.00 0.00 N ATOM 1636 CA LEU A 104 5.227 -2.629 -6.922 1.00 0.00 C ATOM 1637 C LEU A 104 5.017 -2.320 -8.400 1.00 0.00 C ATOM 1638 O LEU A 104 4.811 -1.167 -8.781 1.00 0.00 O ATOM 1639 CB LEU A 104 4.031 -3.412 -6.379 1.00 0.00 C ATOM 1640 CG LEU A 104 4.178 -3.903 -4.935 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.966 -3.501 -4.105 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.370 -5.411 -4.901 1.00 0.00 C ATOM 0 H LEU A 104 4.562 -0.993 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 104 6.127 -3.236 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.144 -2.782 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.857 -4.274 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 104 5.061 -3.433 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.090 -3.859 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.872 -2.415 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.067 -3.941 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.473 -5.742 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.506 -5.898 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.269 -5.676 -5.458 1.00 0.00 H new ATOM 1654 N SER A 105 5.067 -3.359 -9.230 1.00 0.00 N ATOM 1655 CA SER A 105 4.879 -3.198 -10.667 1.00 0.00 C ATOM 1656 C SER A 105 3.401 -3.304 -11.035 1.00 0.00 C ATOM 1657 O SER A 105 2.649 -4.045 -10.404 1.00 0.00 O ATOM 1658 CB SER A 105 5.682 -4.253 -11.429 1.00 0.00 C ATOM 1659 OG SER A 105 5.344 -5.560 -11.000 1.00 0.00 O ATOM 0 H SER A 105 5.236 -4.320 -8.931 1.00 0.00 H new ATOM 0 HA SER A 105 5.237 -2.207 -10.947 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.492 -4.157 -12.498 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.748 -4.082 -11.279 1.00 0.00 H new ATOM 0 HG SER A 105 5.870 -6.216 -11.504 1.00 0.00 H new ATOM 1665 N PRO A 106 2.962 -2.562 -12.068 1.00 0.00 N ATOM 1666 CA PRO A 106 1.566 -2.576 -12.516 1.00 0.00 C ATOM 1667 C PRO A 106 1.088 -3.980 -12.873 1.00 0.00 C ATOM 1668 O PRO A 106 -0.078 -4.320 -12.669 1.00 0.00 O ATOM 1669 CB PRO A 106 1.568 -1.678 -13.762 1.00 0.00 C ATOM 1670 CG PRO A 106 3.001 -1.544 -14.153 1.00 0.00 C ATOM 1671 CD PRO A 106 3.788 -1.655 -12.880 1.00 0.00 C ATOM 0 HA PRO A 106 0.889 -2.231 -11.734 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.981 -2.121 -14.567 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.127 -0.705 -13.545 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.288 -2.324 -14.858 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.184 -0.588 -14.643 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.784 -2.061 -13.054 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.918 -0.686 -12.399 1.00 0.00 H new ATOM 1679 N ASP A 107 1.994 -4.792 -13.407 1.00 0.00 N ATOM 1680 CA ASP A 107 1.663 -6.160 -13.791 1.00 0.00 C ATOM 1681 C ASP A 107 1.435 -7.034 -12.563 1.00 0.00 C ATOM 1682 O ASP A 107 0.706 -8.025 -12.620 1.00 0.00 O ATOM 1683 CB ASP A 107 2.778 -6.751 -14.655 1.00 0.00 C ATOM 1684 CG ASP A 107 2.526 -6.559 -16.137 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.214 -5.420 -16.543 1.00 0.00 O ATOM 1686 OD2 ASP A 107 2.641 -7.546 -16.893 1.00 0.00 O ATOM 0 H ASP A 107 2.963 -4.527 -13.584 1.00 0.00 H new ATOM 0 HA ASP A 107 0.739 -6.135 -14.368 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.726 -6.285 -14.387 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.874 -7.815 -14.441 1.00 0.00 H new ATOM 1691 N GLU A 108 2.065 -6.665 -11.450 1.00 0.00 N ATOM 1692 CA GLU A 108 1.929 -7.421 -10.210 1.00 0.00 C ATOM 1693 C GLU A 108 0.850 -6.821 -9.316 1.00 0.00 C ATOM 1694 O GLU A 108 0.117 -7.544 -8.640 1.00 0.00 O ATOM 1695 CB GLU A 108 3.266 -7.458 -9.464 1.00 0.00 C ATOM 1696 CG GLU A 108 3.578 -8.810 -8.842 1.00 0.00 C ATOM 1697 CD GLU A 108 4.683 -8.733 -7.807 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.501 -7.791 -7.879 1.00 0.00 O ATOM 1699 OE2 GLU A 108 4.730 -9.615 -6.923 1.00 0.00 O ATOM 0 H GLU A 108 2.673 -5.849 -11.383 1.00 0.00 H new ATOM 0 HA GLU A 108 1.633 -8.438 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.066 -7.192 -10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.257 -6.700 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.676 -9.209 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.868 -9.509 -9.627 1.00 0.00 H new ATOM 1706 N VAL A 109 0.754 -5.495 -9.316 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.238 -4.803 -8.502 1.00 0.00 C ATOM 1708 C VAL A 109 -1.653 -5.237 -8.873 1.00 0.00 C ATOM 1709 O VAL A 109 -2.544 -5.266 -8.025 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.125 -3.273 -8.652 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.092 -2.568 -7.708 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.305 -2.814 -8.402 1.00 0.00 C ATOM 0 H VAL A 109 1.350 -4.880 -9.870 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.038 -5.072 -7.465 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.394 -3.008 -9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.997 -1.489 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.113 -2.871 -7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.859 -2.840 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.364 -1.731 -8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.605 -3.093 -7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.971 -3.289 -9.122 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.852 -5.571 -10.141 1.00 0.00 N ATOM 1723 CA ARG A 110 -3.161 -6.000 -10.619 1.00 0.00 C ATOM 1724 C ARG A 110 -3.631 -7.245 -9.874 1.00 0.00 C ATOM 1725 O ARG A 110 -4.794 -7.341 -9.483 1.00 0.00 O ATOM 1726 CB ARG A 110 -3.117 -6.277 -12.122 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.491 -6.349 -12.768 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.780 -5.115 -13.606 1.00 0.00 C ATOM 1729 NE ARG A 110 -5.046 -3.940 -12.779 1.00 0.00 N ATOM 1730 CZ ARG A 110 -4.976 -2.688 -13.225 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -4.649 -2.443 -14.488 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -5.233 -1.678 -12.405 1.00 0.00 N ATOM 0 H ARG A 110 -1.125 -5.553 -10.857 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.870 -5.194 -10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.536 -5.495 -12.610 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.594 -7.218 -12.294 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.553 -7.238 -13.395 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.252 -6.451 -11.995 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.931 -4.914 -14.259 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.639 -5.307 -14.249 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.300 -4.088 -11.802 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.450 -3.216 -15.122 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.597 -1.481 -14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.484 -1.861 -11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.180 -0.718 -12.746 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.722 -8.192 -9.679 1.00 0.00 N ATOM 1747 CA HIS A 111 -3.053 -9.426 -8.979 1.00 0.00 C ATOM 1748 C HIS A 111 -3.395 -9.143 -7.525 1.00 0.00 C ATOM 1749 O HIS A 111 -4.464 -9.525 -7.048 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.892 -10.420 -9.064 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.927 -11.277 -10.290 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -2.599 -10.919 -11.440 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.367 -12.483 -10.543 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -2.451 -11.868 -12.347 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.706 -12.828 -11.828 1.00 0.00 N ATOM 0 H HIS A 111 -1.754 -8.130 -9.994 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.926 -9.866 -9.461 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.951 -9.870 -9.042 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.908 -11.061 -8.182 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.765 -13.066 -9.861 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.868 -11.860 -13.343 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.428 -13.686 -12.305 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.497 -8.462 -6.822 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.742 -8.131 -5.428 1.00 0.00 C ATOM 1766 C ILE A 112 -3.982 -7.253 -5.304 1.00 0.00 C ATOM 1767 O ILE A 112 -4.632 -7.225 -4.259 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.526 -7.437 -4.774 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.384 -5.992 -5.261 1.00 0.00 C ATOM 1770 CG2 ILE A 112 -0.255 -8.224 -5.059 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -0.154 -5.290 -4.726 1.00 0.00 C ATOM 0 H ILE A 112 -1.605 -8.133 -7.191 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.909 -9.067 -4.895 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.690 -7.411 -3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.350 -5.986 -6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.270 -5.429 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.594 -7.725 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.352 -9.231 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.096 -8.281 -6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.119 -4.272 -5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.195 -5.264 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.739 -5.829 -5.042 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.318 -6.552 -6.390 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.494 -5.692 -6.410 1.00 0.00 C ATOM 1785 C LEU A 113 -6.748 -6.511 -6.130 1.00 0.00 C ATOM 1786 O LEU A 113 -7.671 -6.047 -5.462 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.618 -4.988 -7.763 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.827 -3.475 -7.690 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.496 -2.759 -7.529 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -6.557 -2.979 -8.929 1.00 0.00 C ATOM 0 H LEU A 113 -3.791 -6.566 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.384 -4.936 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.717 -5.187 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.452 -5.428 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.441 -3.253 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.665 -1.683 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.012 -3.093 -6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.855 -2.986 -8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.698 -1.900 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.968 -3.213 -9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.529 -3.468 -8.999 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.770 -7.739 -6.645 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.909 -8.625 -6.445 1.00 0.00 C ATOM 1804 C GLU A 114 -8.108 -8.940 -4.963 1.00 0.00 C ATOM 1805 O GLU A 114 -9.177 -9.394 -4.555 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.715 -9.922 -7.233 1.00 0.00 C ATOM 1807 CG GLU A 114 -9.010 -10.497 -7.786 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.888 -11.964 -8.146 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -8.321 -12.269 -9.217 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -9.360 -12.811 -7.358 1.00 0.00 O ATOM 0 H GLU A 114 -6.014 -8.139 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.801 -8.114 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.028 -9.737 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.245 -10.663 -6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.803 -10.372 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.306 -9.933 -8.671 1.00 0.00 H new ATOM 1817 N VAL A 115 -7.072 -8.700 -4.161 1.00 0.00 N ATOM 1818 CA VAL A 115 -7.137 -8.963 -2.728 1.00 0.00 C ATOM 1819 C VAL A 115 -7.916 -7.875 -1.995 1.00 0.00 C ATOM 1820 O VAL A 115 -8.930 -8.152 -1.354 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.729 -9.072 -2.113 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.812 -9.544 -0.668 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.856 -10.005 -2.937 1.00 0.00 C ATOM 0 H VAL A 115 -6.179 -8.324 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.655 -9.914 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.272 -8.083 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.808 -9.615 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.398 -8.833 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.290 -10.523 -0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.865 -10.069 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.307 -10.997 -2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.768 -9.619 -3.953 1.00 0.00 H new ATOM 1833 N SER A 116 -7.437 -6.637 -2.089 1.00 0.00 N ATOM 1834 CA SER A 116 -8.093 -5.511 -1.427 1.00 0.00 C ATOM 1835 C SER A 116 -9.578 -5.462 -1.774 1.00 0.00 C ATOM 1836 O SER A 116 -10.436 -5.543 -0.895 1.00 0.00 O ATOM 1837 CB SER A 116 -7.428 -4.192 -1.824 1.00 0.00 C ATOM 1838 OG SER A 116 -7.527 -3.967 -3.217 1.00 0.00 O ATOM 0 H SER A 116 -6.600 -6.388 -2.615 1.00 0.00 H new ATOM 0 HA SER A 116 -7.990 -5.653 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.898 -3.369 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.379 -4.208 -1.529 1.00 0.00 H new ATOM 0 HG SER A 116 -7.541 -3.003 -3.392 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.870 -5.328 -3.063 1.00 0.00 N ATOM 1845 CA GLY A 117 -11.250 -5.269 -3.509 1.00 0.00 C ATOM 1846 C GLY A 117 -11.461 -4.246 -4.608 1.00 0.00 C ATOM 1847 O GLY A 117 -12.410 -3.463 -4.562 1.00 0.00 O ATOM 0 H GLY A 117 -9.176 -5.259 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.555 -6.252 -3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.892 -5.026 -2.662 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.576 -4.255 -5.600 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.671 -3.322 -6.717 1.00 0.00 C ATOM 1853 C LEU A 118 -10.945 -4.063 -8.021 1.00 0.00 C ATOM 1854 O LEU A 118 -11.777 -3.642 -8.824 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.382 -2.504 -6.843 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.681 -2.179 -5.522 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.492 -1.256 -5.758 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.661 -1.549 -4.542 1.00 0.00 C ATOM 0 H LEU A 118 -9.786 -4.898 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.503 -2.645 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.686 -3.050 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.613 -1.568 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.311 -3.109 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.007 -1.037 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.780 -1.743 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.837 -0.327 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.147 -1.324 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.060 -0.628 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.479 -2.243 -4.348 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.236 -5.169 -8.226 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.403 -5.970 -9.434 1.00 0.00 C ATOM 1872 C LEU A 119 -11.314 -7.165 -9.171 1.00 0.00 C ATOM 1873 O LEU A 119 -11.162 -8.220 -9.788 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.043 -6.453 -9.942 1.00 0.00 C ATOM 1875 CG LEU A 119 -9.061 -7.086 -11.336 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -8.628 -6.077 -12.387 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.164 -8.316 -11.373 1.00 0.00 C ATOM 0 H LEU A 119 -9.541 -5.531 -7.572 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.866 -5.343 -10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.355 -5.608 -9.952 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.645 -7.180 -9.234 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.081 -7.397 -11.560 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.647 -6.546 -13.371 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.309 -5.226 -12.377 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.617 -5.735 -12.168 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.188 -8.754 -12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.142 -8.028 -11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.519 -9.047 -10.647 1.00 0.00 H new ATOM 1889 N GLY A 120 -12.258 -6.993 -8.253 1.00 0.00 N ATOM 1890 CA GLY A 120 -13.179 -8.066 -7.926 1.00 0.00 C ATOM 1891 C GLY A 120 -12.591 -9.051 -6.935 1.00 0.00 C ATOM 1892 O GLY A 120 -11.886 -8.608 -6.004 1.00 0.00 O ATOM 1893 OXT GLY A 120 -12.837 -10.266 -7.090 1.00 0.00 O ATOM 0 H GLY A 120 -12.402 -6.130 -7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -14.094 -7.642 -7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.456 -8.594 -8.838 1.00 0.00 H new