USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=12 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 Set 1.1: A 9 HIS :FLIP no HE2:sc= -3.1 F(o=-7.5!,f=-1.8) USER MOD Set 1.2: A 65 TYR OH : rot -157:sc= 1.32 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -140:sc= -0.717 USER MOD Single : A 14 GLN : amide:sc= -0.0455 K(o=-0.046,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0217 (180deg=-0.222) USER MOD Single : A 21 ASN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0722) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0218 K(o=-0.022,f=-1.4) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0.00999 X(o=0.01,f=0) USER MOD Single : A 42 THR OG1 : rot 34:sc= 0.54 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 69 GLN :FLIP amide:sc= -1.85! C(o=-2.6!,f=-1.8!) USER MOD Single : A 70 MET CE :methyl -113:sc= -0.389 (180deg=-1.38) USER MOD Single : A 79 ASN : amide:sc= -1.34 K(o=-1.3,f=-6.9!) USER MOD Single : A 88 THR OG1 : rot 51:sc= -1.64 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -80:sc= -2.02! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.462 8.235 -9.605 1.00 0.00 N ATOM 15 CA ILE A 3 0.045 7.903 -8.280 1.00 0.00 C ATOM 16 C ILE A 3 0.788 6.569 -8.300 1.00 0.00 C ATOM 17 O ILE A 3 1.033 6.007 -9.368 1.00 0.00 O ATOM 18 CB ILE A 3 -1.093 7.853 -7.237 1.00 0.00 C ATOM 19 CG1 ILE A 3 -2.014 6.655 -7.486 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.891 9.148 -7.269 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.787 6.741 -8.785 1.00 0.00 C ATOM 0 HA ILE A 3 0.741 8.691 -7.993 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.646 7.737 -6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.417 5.743 -7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.719 6.572 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.690 9.101 -6.530 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.233 9.986 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.322 9.286 -8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.417 5.858 -8.892 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.412 7.634 -8.778 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.089 6.793 -9.621 1.00 0.00 H new ATOM 33 N GLU A 4 1.153 6.068 -7.124 1.00 0.00 N ATOM 34 CA GLU A 4 1.874 4.803 -7.035 1.00 0.00 C ATOM 35 C GLU A 4 1.590 4.077 -5.721 1.00 0.00 C ATOM 36 O GLU A 4 1.149 4.682 -4.739 1.00 0.00 O ATOM 37 CB GLU A 4 3.379 5.044 -7.186 1.00 0.00 C ATOM 38 CG GLU A 4 3.985 4.357 -8.400 1.00 0.00 C ATOM 39 CD GLU A 4 3.879 2.848 -8.328 1.00 0.00 C ATOM 40 OE1 GLU A 4 4.533 2.248 -7.448 1.00 0.00 O ATOM 41 OE2 GLU A 4 3.141 2.263 -9.149 1.00 0.00 O ATOM 0 H GLU A 4 0.963 6.514 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 4 1.523 4.166 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.562 6.116 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.887 4.692 -6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.483 4.710 -9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.034 4.640 -8.487 1.00 0.00 H new ATOM 48 N TRP A 5 1.857 2.775 -5.717 1.00 0.00 N ATOM 49 CA TRP A 5 1.647 1.945 -4.538 1.00 0.00 C ATOM 50 C TRP A 5 2.929 1.832 -3.721 1.00 0.00 C ATOM 51 O TRP A 5 3.944 1.336 -4.211 1.00 0.00 O ATOM 52 CB TRP A 5 1.183 0.546 -4.949 1.00 0.00 C ATOM 53 CG TRP A 5 -0.239 0.486 -5.417 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.680 0.545 -6.708 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.406 0.343 -4.600 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.050 0.450 -6.743 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.519 0.323 -5.462 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.618 0.230 -3.224 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.823 0.192 -4.990 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.913 0.100 -2.758 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.001 0.082 -3.640 1.00 0.00 C ATOM 0 H TRP A 5 2.222 2.270 -6.524 1.00 0.00 H new ATOM 0 HA TRP A 5 0.878 2.417 -3.927 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.832 0.179 -5.744 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.304 -0.129 -4.102 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.045 0.651 -7.575 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.625 0.471 -7.586 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.785 0.244 -2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.664 0.178 -5.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.089 0.011 -1.696 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.001 -0.021 -3.245 1.00 0.00 H new ATOM 72 N TYR A 6 2.876 2.281 -2.472 1.00 0.00 N ATOM 73 CA TYR A 6 4.035 2.216 -1.590 1.00 0.00 C ATOM 74 C TYR A 6 3.769 1.265 -0.432 1.00 0.00 C ATOM 75 O TYR A 6 3.013 1.585 0.485 1.00 0.00 O ATOM 76 CB TYR A 6 4.385 3.606 -1.061 1.00 0.00 C ATOM 77 CG TYR A 6 5.275 4.395 -1.992 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.657 4.270 -1.933 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.733 5.259 -2.934 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.475 4.986 -2.785 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.544 5.980 -3.791 1.00 0.00 C ATOM 82 CZ TYR A 6 6.914 5.840 -3.712 1.00 0.00 C ATOM 83 OH TYR A 6 7.724 6.555 -4.563 1.00 0.00 O ATOM 0 H TYR A 6 2.045 2.693 -2.048 1.00 0.00 H new ATOM 0 HA TYR A 6 4.882 1.839 -2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.464 4.164 -0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.880 3.505 -0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.099 3.602 -1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.661 5.370 -2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.548 4.878 -2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.107 6.649 -4.518 1.00 0.00 H new ATOM 0 HH TYR A 6 7.171 7.108 -5.154 1.00 0.00 H new ATOM 93 N ALA A 7 4.381 0.088 -0.487 1.00 0.00 N ATOM 94 CA ALA A 7 4.193 -0.914 0.553 1.00 0.00 C ATOM 95 C ALA A 7 5.343 -0.911 1.554 1.00 0.00 C ATOM 96 O ALA A 7 6.376 -0.278 1.334 1.00 0.00 O ATOM 97 CB ALA A 7 4.041 -2.293 -0.068 1.00 0.00 C ATOM 0 H ALA A 7 5.010 -0.195 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 7 3.282 -0.661 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.901 -3.033 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.176 -2.300 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.937 -2.536 -0.639 1.00 0.00 H new ATOM 103 N VAL A 8 5.149 -1.630 2.655 1.00 0.00 N ATOM 104 CA VAL A 8 6.158 -1.726 3.701 1.00 0.00 C ATOM 105 C VAL A 8 5.966 -2.998 4.514 1.00 0.00 C ATOM 106 O VAL A 8 4.898 -3.615 4.493 1.00 0.00 O ATOM 107 CB VAL A 8 6.119 -0.499 4.637 1.00 0.00 C ATOM 108 CG1 VAL A 8 4.695 -0.197 5.078 1.00 0.00 C ATOM 109 CG2 VAL A 8 7.029 -0.681 5.846 1.00 0.00 C ATOM 0 H VAL A 8 4.297 -2.157 2.845 1.00 0.00 H new ATOM 0 HA VAL A 8 7.132 -1.755 3.213 1.00 0.00 H new ATOM 0 HB VAL A 8 6.493 0.353 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.695 0.672 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.079 0.011 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.289 -1.057 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.973 0.204 6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.709 -1.555 6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.056 -0.823 5.510 1.00 0.00 H new ATOM 119 N HIS A 9 7.017 -3.384 5.220 1.00 0.00 N ATOM 120 CA HIS A 9 6.993 -4.587 6.045 1.00 0.00 C ATOM 121 C HIS A 9 6.604 -4.259 7.484 1.00 0.00 C ATOM 122 O HIS A 9 6.765 -3.126 7.939 1.00 0.00 O ATOM 123 CB HIS A 9 8.359 -5.272 6.019 1.00 0.00 C ATOM 124 CG HIS A 9 8.848 -5.584 4.639 1.00 0.00 C ATOM 125 ND1 HIS A 9 8.788 -4.864 3.492 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.485 -6.763 4.315 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.381 -5.617 2.507 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 9.793 -6.756 3.031 1.00 0.00 N flip ATOM 0 H HIS A 9 7.903 -2.880 5.240 1.00 0.00 H new ATOM 0 HA HIS A 9 6.244 -5.263 5.633 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.087 -4.631 6.517 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.303 -6.197 6.593 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.379 -3.936 3.381 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.699 -7.567 5.004 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.492 -5.324 1.473 1.00 0.00 H new ATOM 137 N THR A 10 6.095 -5.260 8.197 1.00 0.00 N ATOM 138 CA THR A 10 5.686 -5.082 9.585 1.00 0.00 C ATOM 139 C THR A 10 5.840 -6.383 10.366 1.00 0.00 C ATOM 140 O THR A 10 6.321 -7.384 9.835 1.00 0.00 O ATOM 141 CB THR A 10 4.237 -4.599 9.656 1.00 0.00 C ATOM 142 OG1 THR A 10 3.347 -5.623 9.249 1.00 0.00 O ATOM 143 CG2 THR A 10 3.966 -3.385 8.795 1.00 0.00 C ATOM 0 H THR A 10 5.956 -6.203 7.835 1.00 0.00 H new ATOM 0 HA THR A 10 6.333 -4.329 10.035 1.00 0.00 H new ATOM 0 HB THR A 10 4.075 -4.326 10.699 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.628 -5.235 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.920 -3.096 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.602 -2.561 9.118 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.181 -3.623 7.753 1.00 0.00 H new ATOM 151 N LEU A 11 5.429 -6.362 11.631 1.00 0.00 N ATOM 152 CA LEU A 11 5.524 -7.541 12.483 1.00 0.00 C ATOM 153 C LEU A 11 4.257 -8.386 12.387 1.00 0.00 C ATOM 154 O LEU A 11 3.157 -7.858 12.226 1.00 0.00 O ATOM 155 CB LEU A 11 5.769 -7.129 13.937 1.00 0.00 C ATOM 156 CG LEU A 11 7.220 -7.242 14.405 1.00 0.00 C ATOM 157 CD1 LEU A 11 7.531 -6.174 15.442 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.491 -8.629 14.969 1.00 0.00 C ATOM 0 H LEU A 11 5.028 -5.543 12.087 1.00 0.00 H new ATOM 0 HA LEU A 11 6.366 -8.141 12.137 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.440 -6.098 14.067 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.145 -7.746 14.584 1.00 0.00 H new ATOM 0 HG LEU A 11 7.872 -7.086 13.546 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.568 -6.270 15.763 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.376 -5.187 15.006 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.872 -6.298 16.301 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.528 -8.692 15.297 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.830 -8.813 15.816 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.309 -9.377 14.198 1.00 0.00 H new ATOM 170 N VAL A 12 4.421 -9.702 12.483 1.00 0.00 N ATOM 171 CA VAL A 12 3.293 -10.622 12.406 1.00 0.00 C ATOM 172 C VAL A 12 2.426 -10.535 13.660 1.00 0.00 C ATOM 173 O VAL A 12 2.930 -10.608 14.781 1.00 0.00 O ATOM 174 CB VAL A 12 3.769 -12.077 12.220 1.00 0.00 C ATOM 175 CG1 VAL A 12 4.620 -12.520 13.401 1.00 0.00 C ATOM 176 CG2 VAL A 12 2.582 -13.011 12.026 1.00 0.00 C ATOM 0 H VAL A 12 5.325 -10.155 12.614 1.00 0.00 H new ATOM 0 HA VAL A 12 2.701 -10.328 11.539 1.00 0.00 H new ATOM 0 HB VAL A 12 4.386 -12.123 11.323 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.945 -13.549 13.249 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.493 -11.872 13.484 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.033 -12.456 14.317 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.940 -14.032 11.897 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.934 -12.962 12.901 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.022 -12.708 11.142 1.00 0.00 H new ATOM 186 N GLY A 13 1.121 -10.376 13.461 1.00 0.00 N ATOM 187 CA GLY A 13 0.206 -10.281 14.585 1.00 0.00 C ATOM 188 C GLY A 13 -0.093 -8.846 14.974 1.00 0.00 C ATOM 189 O GLY A 13 -1.132 -8.564 15.571 1.00 0.00 O ATOM 0 H GLY A 13 0.681 -10.311 12.543 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.726 -10.787 14.334 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.632 -10.804 15.441 1.00 0.00 H new ATOM 193 N GLN A 14 0.818 -7.938 14.636 1.00 0.00 N ATOM 194 CA GLN A 14 0.643 -6.526 14.957 1.00 0.00 C ATOM 195 C GLN A 14 0.205 -5.731 13.728 1.00 0.00 C ATOM 196 O GLN A 14 -0.331 -4.630 13.853 1.00 0.00 O ATOM 197 CB GLN A 14 1.942 -5.947 15.520 1.00 0.00 C ATOM 198 CG GLN A 14 1.978 -5.897 17.038 1.00 0.00 C ATOM 199 CD GLN A 14 3.343 -6.244 17.601 1.00 0.00 C ATOM 200 OE1 GLN A 14 4.365 -6.067 16.938 1.00 0.00 O ATOM 201 NE2 GLN A 14 3.365 -6.743 18.833 1.00 0.00 N ATOM 0 H GLN A 14 1.683 -8.155 14.141 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.141 -6.447 15.711 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.781 -6.545 15.165 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.081 -4.939 15.128 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.695 -4.899 17.372 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.237 -6.589 17.438 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.493 -6.873 19.346 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.254 -6.996 19.265 1.00 0.00 H new ATOM 210 N GLU A 15 0.437 -6.291 12.544 1.00 0.00 N ATOM 211 CA GLU A 15 0.066 -5.629 11.299 1.00 0.00 C ATOM 212 C GLU A 15 -1.412 -5.249 11.297 1.00 0.00 C ATOM 213 O GLU A 15 -1.790 -4.186 10.805 1.00 0.00 O ATOM 214 CB GLU A 15 0.371 -6.535 10.103 1.00 0.00 C ATOM 215 CG GLU A 15 -0.267 -7.911 10.203 1.00 0.00 C ATOM 216 CD GLU A 15 -0.261 -8.654 8.880 1.00 0.00 C ATOM 217 OE1 GLU A 15 -0.574 -8.025 7.847 1.00 0.00 O ATOM 218 OE2 GLU A 15 0.053 -9.861 8.879 1.00 0.00 O ATOM 0 H GLU A 15 0.880 -7.202 12.422 1.00 0.00 H new ATOM 0 HA GLU A 15 0.656 -4.716 11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.024 -6.048 9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.451 -6.650 10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.265 -8.501 10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.294 -7.807 10.552 1.00 0.00 H new ATOM 225 N GLU A 16 -2.246 -6.125 11.852 1.00 0.00 N ATOM 226 CA GLU A 16 -3.682 -5.880 11.916 1.00 0.00 C ATOM 227 C GLU A 16 -3.981 -4.578 12.654 1.00 0.00 C ATOM 228 O GLU A 16 -4.905 -3.848 12.297 1.00 0.00 O ATOM 229 CB GLU A 16 -4.389 -7.050 12.609 1.00 0.00 C ATOM 230 CG GLU A 16 -5.470 -7.697 11.757 1.00 0.00 C ATOM 231 CD GLU A 16 -4.969 -8.915 11.005 1.00 0.00 C ATOM 232 OE1 GLU A 16 -4.363 -9.799 11.645 1.00 0.00 O ATOM 233 OE2 GLU A 16 -5.184 -8.984 9.777 1.00 0.00 O ATOM 0 H GLU A 16 -1.951 -7.010 12.263 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.057 -5.790 10.896 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.649 -7.804 12.877 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.834 -6.696 13.539 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.305 -7.987 12.395 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.852 -6.966 11.044 1.00 0.00 H new ATOM 240 N LYS A 17 -3.191 -4.295 13.684 1.00 0.00 N ATOM 241 CA LYS A 17 -3.369 -3.081 14.471 1.00 0.00 C ATOM 242 C LYS A 17 -2.547 -1.930 13.896 1.00 0.00 C ATOM 243 O LYS A 17 -2.876 -0.760 14.095 1.00 0.00 O ATOM 244 CB LYS A 17 -2.972 -3.332 15.929 1.00 0.00 C ATOM 245 CG LYS A 17 -4.044 -2.926 16.929 1.00 0.00 C ATOM 246 CD LYS A 17 -4.408 -4.073 17.859 1.00 0.00 C ATOM 247 CE LYS A 17 -5.003 -5.243 17.094 1.00 0.00 C ATOM 248 NZ LYS A 17 -6.490 -5.252 17.162 1.00 0.00 N ATOM 0 H LYS A 17 -2.422 -4.889 13.993 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.422 -2.803 14.431 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.748 -4.391 16.059 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.056 -2.783 16.147 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.691 -2.079 17.517 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.934 -2.594 16.394 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.519 -4.403 18.397 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.121 -3.725 18.606 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.688 -5.193 16.052 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.615 -6.177 17.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.857 -6.065 16.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.792 -5.325 18.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.862 -4.372 16.751 1.00 0.00 H new ATOM 262 N ALA A 18 -1.477 -2.267 13.181 1.00 0.00 N ATOM 263 CA ALA A 18 -0.612 -1.260 12.581 1.00 0.00 C ATOM 264 C ALA A 18 -1.353 -0.467 11.507 1.00 0.00 C ATOM 265 O ALA A 18 -1.163 0.742 11.374 1.00 0.00 O ATOM 266 CB ALA A 18 0.629 -1.914 11.992 1.00 0.00 C ATOM 0 H ALA A 18 -1.190 -3.230 13.004 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.308 -0.566 13.364 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.266 -1.150 11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.177 -2.430 12.780 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.334 -2.631 11.226 1.00 0.00 H new ATOM 272 N LYS A 19 -2.196 -1.156 10.746 1.00 0.00 N ATOM 273 CA LYS A 19 -2.965 -0.516 9.687 1.00 0.00 C ATOM 274 C LYS A 19 -3.885 0.559 10.255 1.00 0.00 C ATOM 275 O LYS A 19 -4.115 1.591 9.625 1.00 0.00 O ATOM 276 CB LYS A 19 -3.786 -1.556 8.922 1.00 0.00 C ATOM 277 CG LYS A 19 -4.689 -2.394 9.814 1.00 0.00 C ATOM 278 CD LYS A 19 -5.800 -3.055 9.015 1.00 0.00 C ATOM 279 CE LYS A 19 -6.903 -2.067 8.671 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.688 -1.667 9.872 1.00 0.00 N ATOM 0 H LYS A 19 -2.364 -2.157 10.843 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.264 -0.042 9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.397 -1.048 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.108 -2.217 8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.097 -3.158 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.123 -1.763 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.389 -3.476 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.218 -3.883 9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.465 -1.180 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.571 -2.511 7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.578 -1.221 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.899 -2.509 10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.136 -0.992 10.438 1.00 0.00 H new ATOM 294 N ALA A 20 -4.410 0.309 11.451 1.00 0.00 N ATOM 295 CA ALA A 20 -5.305 1.255 12.105 1.00 0.00 C ATOM 296 C ALA A 20 -4.527 2.409 12.727 1.00 0.00 C ATOM 297 O ALA A 20 -4.933 3.567 12.636 1.00 0.00 O ATOM 298 CB ALA A 20 -6.139 0.548 13.162 1.00 0.00 C ATOM 0 H ALA A 20 -4.230 -0.541 11.986 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.972 1.668 11.348 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.803 1.267 13.642 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.732 -0.237 12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.480 0.106 13.910 1.00 0.00 H new ATOM 304 N ASN A 21 -3.402 2.085 13.360 1.00 0.00 N ATOM 305 CA ASN A 21 -2.566 3.095 13.998 1.00 0.00 C ATOM 306 C ASN A 21 -2.085 4.125 12.981 1.00 0.00 C ATOM 307 O ASN A 21 -1.951 5.307 13.296 1.00 0.00 O ATOM 308 CB ASN A 21 -1.365 2.435 14.680 1.00 0.00 C ATOM 309 CG ASN A 21 -1.636 2.102 16.133 1.00 0.00 C ATOM 310 OD1 ASN A 21 -1.222 2.829 17.036 1.00 0.00 O ATOM 311 ND2 ASN A 21 -2.334 0.997 16.367 1.00 0.00 N ATOM 0 H ASN A 21 -3.050 1.131 13.444 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.167 3.607 14.750 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.102 1.523 14.144 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.504 3.101 14.617 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.547 0.722 17.326 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.658 0.424 15.588 1.00 0.00 H new ATOM 318 N LEU A 22 -1.830 3.667 11.759 1.00 0.00 N ATOM 319 CA LEU A 22 -1.366 4.549 10.695 1.00 0.00 C ATOM 320 C LEU A 22 -2.520 5.369 10.128 1.00 0.00 C ATOM 321 O LEU A 22 -2.445 6.596 10.057 1.00 0.00 O ATOM 322 CB LEU A 22 -0.709 3.731 9.579 1.00 0.00 C ATOM 323 CG LEU A 22 -0.266 4.538 8.357 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.645 5.681 8.773 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.432 3.636 7.351 1.00 0.00 C ATOM 0 H LEU A 22 -1.937 2.691 11.482 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.630 5.234 11.117 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.160 3.217 9.990 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.409 2.962 9.253 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.151 4.962 7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.950 6.243 7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.112 6.341 9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.528 5.280 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.741 4.225 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.309 3.184 7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.253 2.852 7.029 1.00 0.00 H new ATOM 337 N GLU A 23 -3.587 4.685 9.727 1.00 0.00 N ATOM 338 CA GLU A 23 -4.759 5.352 9.166 1.00 0.00 C ATOM 339 C GLU A 23 -5.265 6.449 10.098 1.00 0.00 C ATOM 340 O GLU A 23 -5.737 7.491 9.646 1.00 0.00 O ATOM 341 CB GLU A 23 -5.872 4.335 8.904 1.00 0.00 C ATOM 342 CG GLU A 23 -6.639 4.591 7.618 1.00 0.00 C ATOM 343 CD GLU A 23 -7.812 3.645 7.442 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.786 3.759 8.214 1.00 0.00 O ATOM 345 OE2 GLU A 23 -7.755 2.792 6.532 1.00 0.00 O ATOM 0 H GLU A 23 -3.665 3.669 9.780 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.465 5.813 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.438 3.336 8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.569 4.348 9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.002 5.619 7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.963 4.488 6.769 1.00 0.00 H new ATOM 352 N LYS A 24 -5.158 6.207 11.399 1.00 0.00 N ATOM 353 CA LYS A 24 -5.603 7.177 12.393 1.00 0.00 C ATOM 354 C LYS A 24 -4.786 8.461 12.296 1.00 0.00 C ATOM 355 O LYS A 24 -5.331 9.562 12.378 1.00 0.00 O ATOM 356 CB LYS A 24 -5.485 6.588 13.801 1.00 0.00 C ATOM 357 CG LYS A 24 -6.158 7.433 14.871 1.00 0.00 C ATOM 358 CD LYS A 24 -7.639 7.105 14.992 1.00 0.00 C ATOM 359 CE LYS A 24 -8.055 6.929 16.444 1.00 0.00 C ATOM 360 NZ LYS A 24 -7.800 8.155 17.247 1.00 0.00 N ATOM 0 H LYS A 24 -4.768 5.349 11.790 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.648 7.414 12.194 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.925 5.591 13.807 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.430 6.473 14.051 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.668 7.265 15.830 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.037 8.489 14.631 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.227 7.902 14.538 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.857 6.193 14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.115 6.679 16.490 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.510 6.091 16.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.290 8.079 18.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.778 8.257 17.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.154 8.987 16.733 1.00 0.00 H new ATOM 374 N ARG A 25 -3.477 8.312 12.117 1.00 0.00 N ATOM 375 CA ARG A 25 -2.585 9.460 12.004 1.00 0.00 C ATOM 376 C ARG A 25 -2.881 10.249 10.732 1.00 0.00 C ATOM 377 O ARG A 25 -2.833 11.479 10.727 1.00 0.00 O ATOM 378 CB ARG A 25 -1.125 8.999 12.011 1.00 0.00 C ATOM 379 CG ARG A 25 -0.414 9.262 13.328 1.00 0.00 C ATOM 380 CD ARG A 25 -0.662 8.143 14.327 1.00 0.00 C ATOM 381 NE ARG A 25 -0.658 8.629 15.706 1.00 0.00 N ATOM 382 CZ ARG A 25 0.449 8.900 16.393 1.00 0.00 C ATOM 383 NH1 ARG A 25 1.642 8.740 15.833 1.00 0.00 N ATOM 384 NH2 ARG A 25 0.363 9.336 17.642 1.00 0.00 N ATOM 0 H ARG A 25 -3.011 7.407 12.047 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.754 10.112 12.861 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.088 7.931 11.794 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.588 9.506 11.209 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.657 9.363 13.151 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.758 10.208 13.746 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.621 7.671 14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.104 7.377 14.210 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.556 8.768 16.169 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.714 8.408 14.871 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.487 8.949 16.364 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.551 9.464 18.076 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.211 9.544 18.169 1.00 0.00 H new ATOM 398 N ILE A 26 -3.191 9.532 9.658 1.00 0.00 N ATOM 399 CA ILE A 26 -3.499 10.162 8.379 1.00 0.00 C ATOM 400 C ILE A 26 -4.764 11.010 8.482 1.00 0.00 C ATOM 401 O ILE A 26 -4.887 12.041 7.822 1.00 0.00 O ATOM 402 CB ILE A 26 -3.682 9.109 7.265 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.453 8.201 7.188 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.933 9.784 5.923 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.162 8.950 6.934 1.00 0.00 C ATOM 0 H ILE A 26 -3.236 8.513 9.647 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.655 10.802 8.124 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.552 8.498 7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.363 7.645 8.121 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.601 7.469 6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.059 9.024 5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.836 10.392 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.084 10.419 5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.333 8.243 6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.232 9.484 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.990 9.663 7.741 1.00 0.00 H new ATOM 417 N LYS A 27 -5.701 10.568 9.314 1.00 0.00 N ATOM 418 CA LYS A 27 -6.955 11.288 9.502 1.00 0.00 C ATOM 419 C LYS A 27 -6.835 12.308 10.628 1.00 0.00 C ATOM 420 O LYS A 27 -7.443 13.378 10.578 1.00 0.00 O ATOM 421 CB LYS A 27 -8.090 10.308 9.807 1.00 0.00 C ATOM 422 CG LYS A 27 -9.420 10.705 9.186 1.00 0.00 C ATOM 423 CD LYS A 27 -10.580 9.955 9.822 1.00 0.00 C ATOM 424 CE LYS A 27 -11.541 9.422 8.772 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.049 8.158 8.158 1.00 0.00 N ATOM 0 H LYS A 27 -5.616 9.716 9.868 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.180 11.819 8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.811 9.318 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.212 10.231 10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.571 11.778 9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.398 10.502 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.196 9.128 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.114 10.618 10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.516 9.249 9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.681 10.173 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.733 7.828 7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.130 8.329 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.939 7.433 8.896 1.00 0.00 H new ATOM 439 N ALA A 28 -6.044 11.972 11.642 1.00 0.00 N ATOM 440 CA ALA A 28 -5.841 12.860 12.780 1.00 0.00 C ATOM 441 C ALA A 28 -5.036 14.091 12.378 1.00 0.00 C ATOM 442 O ALA A 28 -5.326 15.204 12.815 1.00 0.00 O ATOM 443 CB ALA A 28 -5.147 12.118 13.911 1.00 0.00 C ATOM 0 H ALA A 28 -5.533 11.091 11.698 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.818 13.195 13.127 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.002 12.793 14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.762 11.274 14.224 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.179 11.754 13.567 1.00 0.00 H new ATOM 449 N PHE A 29 -4.023 13.880 11.545 1.00 0.00 N ATOM 450 CA PHE A 29 -3.173 14.973 11.083 1.00 0.00 C ATOM 451 C PHE A 29 -3.692 15.552 9.770 1.00 0.00 C ATOM 452 O PHE A 29 -3.431 16.712 9.447 1.00 0.00 O ATOM 453 CB PHE A 29 -1.733 14.486 10.905 1.00 0.00 C ATOM 454 CG PHE A 29 -1.068 14.092 12.192 1.00 0.00 C ATOM 455 CD1 PHE A 29 -1.081 14.945 13.283 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.429 12.868 12.311 1.00 0.00 C ATOM 457 CE1 PHE A 29 -0.468 14.584 14.471 1.00 0.00 C ATOM 458 CE2 PHE A 29 0.184 12.502 13.494 1.00 0.00 C ATOM 459 CZ PHE A 29 0.164 13.361 14.575 1.00 0.00 C ATOM 0 H PHE A 29 -3.770 12.963 11.176 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.194 15.759 11.838 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.728 13.632 10.227 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.148 15.274 10.430 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.575 15.902 13.206 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.410 12.192 11.469 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.484 15.258 15.315 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.678 11.545 13.573 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.642 13.076 15.501 1.00 0.00 H new ATOM 469 N GLY A 30 -4.428 14.741 9.016 1.00 0.00 N ATOM 470 CA GLY A 30 -4.967 15.195 7.748 1.00 0.00 C ATOM 471 C GLY A 30 -4.004 14.973 6.598 1.00 0.00 C ATOM 472 O GLY A 30 -3.337 15.906 6.150 1.00 0.00 O ATOM 0 H GLY A 30 -4.660 13.778 9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.900 14.669 7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.207 16.256 7.817 1.00 0.00 H new ATOM 476 N LEU A 31 -3.930 13.735 6.122 1.00 0.00 N ATOM 477 CA LEU A 31 -3.040 13.392 5.019 1.00 0.00 C ATOM 478 C LEU A 31 -3.814 12.771 3.863 1.00 0.00 C ATOM 479 O LEU A 31 -3.314 11.882 3.172 1.00 0.00 O ATOM 480 CB LEU A 31 -1.956 12.426 5.496 1.00 0.00 C ATOM 481 CG LEU A 31 -0.778 13.079 6.215 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.172 14.182 5.360 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.217 13.627 7.565 1.00 0.00 C ATOM 0 H LEU A 31 -4.476 12.952 6.483 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.573 14.311 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.411 11.696 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.577 11.876 4.635 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.014 12.320 6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.666 14.635 5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.180 13.761 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.927 14.942 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.365 14.089 8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.000 14.371 7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.601 12.813 8.181 1.00 0.00 H new ATOM 495 N GLN A 32 -5.036 13.251 3.652 1.00 0.00 N ATOM 496 CA GLN A 32 -5.878 12.747 2.574 1.00 0.00 C ATOM 497 C GLN A 32 -5.508 13.379 1.233 1.00 0.00 C ATOM 498 O GLN A 32 -6.277 13.311 0.273 1.00 0.00 O ATOM 499 CB GLN A 32 -7.352 13.016 2.885 1.00 0.00 C ATOM 500 CG GLN A 32 -8.034 11.881 3.632 1.00 0.00 C ATOM 501 CD GLN A 32 -7.959 12.048 5.137 1.00 0.00 C ATOM 502 OE1 GLN A 32 -7.285 11.281 5.825 1.00 0.00 O ATOM 503 NE2 GLN A 32 -8.654 13.052 5.656 1.00 0.00 N ATOM 0 H GLN A 32 -5.464 13.987 4.213 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.713 11.672 2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.429 13.928 3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.884 13.197 1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.079 11.826 3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.570 10.935 3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.199 13.663 5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.643 13.213 6.663 1.00 0.00 H new ATOM 512 N ASP A 33 -4.327 13.993 1.164 1.00 0.00 N ATOM 513 CA ASP A 33 -3.869 14.628 -0.065 1.00 0.00 C ATOM 514 C ASP A 33 -2.779 13.798 -0.740 1.00 0.00 C ATOM 515 O ASP A 33 -2.433 14.042 -1.897 1.00 0.00 O ATOM 516 CB ASP A 33 -3.347 16.036 0.230 1.00 0.00 C ATOM 517 CG ASP A 33 -3.777 17.044 -0.818 1.00 0.00 C ATOM 518 OD1 ASP A 33 -4.988 17.108 -1.119 1.00 0.00 O ATOM 519 OD2 ASP A 33 -2.903 17.768 -1.340 1.00 0.00 O ATOM 0 H ASP A 33 -3.674 14.062 1.944 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.717 14.696 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.707 16.356 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.259 16.013 0.283 1.00 0.00 H new ATOM 524 N LYS A 34 -2.238 12.820 -0.018 1.00 0.00 N ATOM 525 CA LYS A 34 -1.188 11.965 -0.558 1.00 0.00 C ATOM 526 C LYS A 34 -1.654 10.515 -0.653 1.00 0.00 C ATOM 527 O LYS A 34 -1.421 9.843 -1.658 1.00 0.00 O ATOM 528 CB LYS A 34 0.070 12.056 0.311 1.00 0.00 C ATOM 529 CG LYS A 34 1.156 12.938 -0.284 1.00 0.00 C ATOM 530 CD LYS A 34 0.832 14.413 -0.115 1.00 0.00 C ATOM 531 CE LYS A 34 1.403 15.242 -1.255 1.00 0.00 C ATOM 532 NZ LYS A 34 0.736 16.569 -1.365 1.00 0.00 N ATOM 0 H LYS A 34 -2.510 12.601 0.941 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.953 12.314 -1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.203 12.443 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.470 11.054 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.109 12.717 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.272 12.709 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.249 14.547 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.235 14.769 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.472 15.385 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.287 14.699 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.154 17.103 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.280 16.433 -1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.868 17.098 -0.480 1.00 0.00 H new ATOM 546 N ILE A 35 -2.313 10.037 0.398 1.00 0.00 N ATOM 547 CA ILE A 35 -2.806 8.664 0.429 1.00 0.00 C ATOM 548 C ILE A 35 -4.139 8.539 -0.307 1.00 0.00 C ATOM 549 O ILE A 35 -4.901 9.502 -0.398 1.00 0.00 O ATOM 550 CB ILE A 35 -2.976 8.159 1.877 1.00 0.00 C ATOM 551 CG1 ILE A 35 -3.238 6.652 1.890 1.00 0.00 C ATOM 552 CG2 ILE A 35 -4.104 8.904 2.577 1.00 0.00 C ATOM 553 CD1 ILE A 35 -3.207 6.047 3.276 1.00 0.00 C ATOM 0 H ILE A 35 -2.518 10.579 1.238 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.060 8.049 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.051 8.353 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.210 6.456 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.492 6.156 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.207 8.533 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.877 9.970 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.037 8.743 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.401 4.976 3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.227 6.212 3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.971 6.516 3.895 1.00 0.00 H new ATOM 565 N PHE A 36 -4.414 7.347 -0.827 1.00 0.00 N ATOM 566 CA PHE A 36 -5.655 7.099 -1.551 1.00 0.00 C ATOM 567 C PHE A 36 -6.178 5.695 -1.269 1.00 0.00 C ATOM 568 O PHE A 36 -7.334 5.519 -0.880 1.00 0.00 O ATOM 569 CB PHE A 36 -5.442 7.280 -3.056 1.00 0.00 C ATOM 570 CG PHE A 36 -4.732 8.556 -3.408 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.288 9.785 -3.091 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.507 8.525 -4.051 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.636 10.960 -3.413 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.849 9.695 -4.376 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.414 10.914 -4.056 1.00 0.00 C ATOM 0 H PHE A 36 -3.795 6.539 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.395 7.822 -1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.868 6.436 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.410 7.261 -3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.242 9.825 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.060 7.574 -4.302 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.081 11.912 -3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.894 9.657 -4.879 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.901 11.830 -4.308 1.00 0.00 H new ATOM 585 N GLN A 37 -5.322 4.696 -1.464 1.00 0.00 N ATOM 586 CA GLN A 37 -5.702 3.308 -1.224 1.00 0.00 C ATOM 587 C GLN A 37 -4.810 2.670 -0.167 1.00 0.00 C ATOM 588 O GLN A 37 -3.624 2.980 -0.068 1.00 0.00 O ATOM 589 CB GLN A 37 -5.624 2.492 -2.516 1.00 0.00 C ATOM 590 CG GLN A 37 -6.323 3.140 -3.698 1.00 0.00 C ATOM 591 CD GLN A 37 -7.312 2.210 -4.374 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.455 2.074 -3.937 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.875 1.561 -5.448 1.00 0.00 N ATOM 0 H GLN A 37 -4.363 4.822 -1.787 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.730 3.309 -0.863 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.576 2.332 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.063 1.510 -2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.845 4.035 -3.360 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.577 3.461 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.920 1.703 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.495 0.921 -5.944 1.00 0.00 H new ATOM 602 N VAL A 38 -5.393 1.769 0.613 1.00 0.00 N ATOM 603 CA VAL A 38 -4.660 1.069 1.658 1.00 0.00 C ATOM 604 C VAL A 38 -5.139 -0.375 1.761 1.00 0.00 C ATOM 605 O VAL A 38 -5.808 -0.755 2.722 1.00 0.00 O ATOM 606 CB VAL A 38 -4.824 1.757 3.029 1.00 0.00 C ATOM 607 CG1 VAL A 38 -3.756 1.275 4.000 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.777 3.270 2.884 1.00 0.00 C ATOM 0 H VAL A 38 -6.376 1.505 0.541 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.605 1.092 1.386 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.800 1.487 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.888 1.771 4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.845 0.197 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.769 1.511 3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.895 3.733 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.819 3.565 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.584 3.598 2.228 1.00 0.00 H new ATOM 618 N LEU A 39 -4.805 -1.171 0.753 1.00 0.00 N ATOM 619 CA LEU A 39 -5.214 -2.573 0.713 1.00 0.00 C ATOM 620 C LEU A 39 -4.198 -3.474 1.409 1.00 0.00 C ATOM 621 O LEU A 39 -2.989 -3.240 1.341 1.00 0.00 O ATOM 622 CB LEU A 39 -5.458 -3.026 -0.739 1.00 0.00 C ATOM 623 CG LEU A 39 -4.235 -3.488 -1.540 1.00 0.00 C ATOM 624 CD1 LEU A 39 -3.067 -2.534 -1.357 1.00 0.00 C ATOM 625 CD2 LEU A 39 -3.840 -4.906 -1.150 1.00 0.00 C ATOM 0 H LEU A 39 -4.251 -0.871 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.152 -2.663 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.180 -3.843 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.923 -2.200 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.506 -3.486 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.214 -2.887 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.352 -1.540 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.795 -2.490 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.970 -5.214 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.597 -4.937 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.670 -5.583 -1.352 1.00 0.00 H new ATOM 637 N ILE A 40 -4.704 -4.501 2.085 1.00 0.00 N ATOM 638 CA ILE A 40 -3.854 -5.440 2.806 1.00 0.00 C ATOM 639 C ILE A 40 -3.812 -6.799 2.106 1.00 0.00 C ATOM 640 O ILE A 40 -4.850 -7.420 1.875 1.00 0.00 O ATOM 641 CB ILE A 40 -4.339 -5.634 4.258 1.00 0.00 C ATOM 642 CG1 ILE A 40 -3.369 -6.532 5.029 1.00 0.00 C ATOM 643 CG2 ILE A 40 -5.744 -6.221 4.278 1.00 0.00 C ATOM 644 CD1 ILE A 40 -3.273 -6.195 6.500 1.00 0.00 C ATOM 0 H ILE A 40 -5.702 -4.704 2.148 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.851 -5.013 2.819 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.368 -4.660 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.685 -7.570 4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.379 -6.452 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.069 -6.351 5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.428 -5.545 3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.742 -7.187 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.568 -6.871 6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.928 -5.168 6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.254 -6.303 6.963 1.00 0.00 H new ATOM 656 N PRO A 41 -2.605 -7.281 1.755 1.00 0.00 N ATOM 657 CA PRO A 41 -2.434 -8.572 1.077 1.00 0.00 C ATOM 658 C PRO A 41 -3.015 -9.739 1.868 1.00 0.00 C ATOM 659 O PRO A 41 -2.309 -10.389 2.641 1.00 0.00 O ATOM 660 CB PRO A 41 -0.914 -8.727 0.955 1.00 0.00 C ATOM 661 CG PRO A 41 -0.332 -7.737 1.905 1.00 0.00 C ATOM 662 CD PRO A 41 -1.317 -6.611 1.986 1.00 0.00 C ATOM 0 HA PRO A 41 -2.958 -8.586 0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.602 -9.741 1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.581 -8.534 -0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.171 -8.185 2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.637 -7.383 1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.287 -6.118 2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.119 -5.847 1.234 1.00 0.00 H new ATOM 670 N THR A 42 -4.301 -10.006 1.662 1.00 0.00 N ATOM 671 CA THR A 42 -4.974 -11.102 2.350 1.00 0.00 C ATOM 672 C THR A 42 -5.927 -11.831 1.405 1.00 0.00 C ATOM 673 O THR A 42 -6.881 -11.243 0.897 1.00 0.00 O ATOM 674 CB THR A 42 -5.744 -10.579 3.564 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.701 -9.612 3.175 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.852 -9.947 4.611 1.00 0.00 C ATOM 0 H THR A 42 -4.898 -9.479 1.024 1.00 0.00 H new ATOM 0 HA THR A 42 -4.214 -11.805 2.689 1.00 0.00 H new ATOM 0 HB THR A 42 -6.225 -11.455 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.063 -9.846 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.461 -9.597 5.445 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.134 -10.684 4.970 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.318 -9.104 4.173 1.00 0.00 H new ATOM 948 N LYS A 59 -6.092 -16.030 4.157 1.00 0.00 N ATOM 949 CA LYS A 59 -4.654 -16.245 4.272 1.00 0.00 C ATOM 950 C LYS A 59 -3.879 -15.040 3.749 1.00 0.00 C ATOM 951 O LYS A 59 -4.048 -14.632 2.599 1.00 0.00 O ATOM 952 CB LYS A 59 -4.242 -17.503 3.504 1.00 0.00 C ATOM 953 CG LYS A 59 -4.563 -17.445 2.020 1.00 0.00 C ATOM 954 CD LYS A 59 -4.177 -18.735 1.315 1.00 0.00 C ATOM 955 CE LYS A 59 -2.669 -18.908 1.255 1.00 0.00 C ATOM 956 NZ LYS A 59 -2.259 -19.848 0.175 1.00 0.00 N ATOM 0 HA LYS A 59 -4.416 -16.377 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.171 -17.660 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.744 -18.366 3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.629 -17.260 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.034 -16.608 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.621 -19.583 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.585 -18.734 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.199 -17.939 1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.308 -19.278 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.223 -19.938 0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.687 -20.781 0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.581 -19.483 -0.744 1.00 0.00 H new ATOM 970 N LYS A 60 -3.031 -14.474 4.601 1.00 0.00 N ATOM 971 CA LYS A 60 -2.230 -13.314 4.227 1.00 0.00 C ATOM 972 C LYS A 60 -1.359 -13.618 3.011 1.00 0.00 C ATOM 973 O LYS A 60 -0.388 -14.369 3.102 1.00 0.00 O ATOM 974 CB LYS A 60 -1.350 -12.877 5.401 1.00 0.00 C ATOM 975 CG LYS A 60 -2.134 -12.566 6.665 1.00 0.00 C ATOM 976 CD LYS A 60 -1.310 -12.837 7.914 1.00 0.00 C ATOM 977 CE LYS A 60 -2.151 -13.471 9.011 1.00 0.00 C ATOM 978 NZ LYS A 60 -3.239 -12.562 9.471 1.00 0.00 N ATOM 0 H LYS A 60 -2.881 -14.800 5.556 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.911 -12.504 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.628 -13.665 5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.782 -11.994 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.446 -11.522 6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.042 -13.169 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.478 -13.496 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.880 -11.903 8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.585 -14.401 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.512 -13.729 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.790 -13.030 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.824 -11.685 9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.864 -12.336 8.671 1.00 0.00 H new ATOM 992 N LEU A 61 -1.716 -13.028 1.873 1.00 0.00 N ATOM 993 CA LEU A 61 -0.967 -13.234 0.638 1.00 0.00 C ATOM 994 C LEU A 61 0.491 -12.824 0.810 1.00 0.00 C ATOM 995 O LEU A 61 1.390 -13.430 0.229 1.00 0.00 O ATOM 996 CB LEU A 61 -1.598 -12.434 -0.503 1.00 0.00 C ATOM 997 CG LEU A 61 -2.945 -12.959 -0.997 1.00 0.00 C ATOM 998 CD1 LEU A 61 -3.691 -11.877 -1.762 1.00 0.00 C ATOM 999 CD2 LEU A 61 -2.748 -14.192 -1.866 1.00 0.00 C ATOM 0 H LEU A 61 -2.518 -12.405 1.781 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.002 -14.296 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.726 -11.402 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.902 -12.417 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.545 -13.241 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.648 -12.269 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.863 -11.022 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.097 -11.563 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.717 -14.553 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.130 -13.936 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.255 -14.972 -1.285 1.00 0.00 H new ATOM 1011 N PHE A 62 0.713 -11.791 1.614 1.00 0.00 N ATOM 1012 CA PHE A 62 2.061 -11.296 1.867 1.00 0.00 C ATOM 1013 C PHE A 62 2.286 -11.088 3.365 1.00 0.00 C ATOM 1014 O PHE A 62 2.050 -9.998 3.892 1.00 0.00 O ATOM 1015 CB PHE A 62 2.298 -9.985 1.113 1.00 0.00 C ATOM 1016 CG PHE A 62 2.140 -10.100 -0.379 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.914 -10.432 -0.938 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.214 -9.867 -1.223 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.765 -10.530 -2.308 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.071 -9.965 -2.594 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.844 -10.296 -3.139 1.00 0.00 C ATOM 0 H PHE A 62 -0.023 -11.280 2.102 1.00 0.00 H new ATOM 0 HA PHE A 62 2.771 -12.041 1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.602 -9.233 1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.303 -9.627 1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.066 -10.616 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.175 -9.606 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.195 -10.790 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.917 -9.783 -3.240 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.729 -10.371 -4.210 1.00 0.00 H new ATOM 1031 N PRO A 63 2.740 -12.138 4.072 1.00 0.00 N ATOM 1032 CA PRO A 63 2.991 -12.074 5.516 1.00 0.00 C ATOM 1033 C PRO A 63 3.785 -10.838 5.925 1.00 0.00 C ATOM 1034 O PRO A 63 4.983 -10.739 5.656 1.00 0.00 O ATOM 1035 CB PRO A 63 3.801 -13.342 5.784 1.00 0.00 C ATOM 1036 CG PRO A 63 3.355 -14.300 4.736 1.00 0.00 C ATOM 1037 CD PRO A 63 3.040 -13.474 3.517 1.00 0.00 C ATOM 0 HA PRO A 63 2.064 -12.008 6.086 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.872 -13.150 5.716 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.610 -13.731 6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.134 -15.031 4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.478 -14.857 5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.882 -13.441 2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.191 -13.879 2.966 1.00 0.00 H new ATOM 1045 N GLY A 64 3.110 -9.902 6.584 1.00 0.00 N ATOM 1046 CA GLY A 64 3.767 -8.687 7.030 1.00 0.00 C ATOM 1047 C GLY A 64 3.995 -7.694 5.906 1.00 0.00 C ATOM 1048 O GLY A 64 5.093 -7.159 5.758 1.00 0.00 O ATOM 0 H GLY A 64 2.119 -9.963 6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.163 -8.217 7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.725 -8.943 7.482 1.00 0.00 H new ATOM 1052 N TYR A 65 2.957 -7.446 5.114 1.00 0.00 N ATOM 1053 CA TYR A 65 3.055 -6.506 4.001 1.00 0.00 C ATOM 1054 C TYR A 65 1.745 -5.749 3.807 1.00 0.00 C ATOM 1055 O TYR A 65 0.662 -6.298 4.007 1.00 0.00 O ATOM 1056 CB TYR A 65 3.418 -7.245 2.713 1.00 0.00 C ATOM 1057 CG TYR A 65 4.834 -7.771 2.686 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.174 -8.937 3.359 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.831 -7.105 1.982 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.467 -9.424 3.333 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.127 -7.586 1.952 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.440 -8.746 2.630 1.00 0.00 C ATOM 1063 OH TYR A 65 8.726 -9.230 2.602 1.00 0.00 O ATOM 0 H TYR A 65 2.041 -7.881 5.221 1.00 0.00 H new ATOM 0 HA TYR A 65 3.839 -5.787 4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.729 -8.079 2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.275 -6.572 1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.416 -9.472 3.912 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.589 -6.197 1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.714 -10.333 3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.890 -7.057 1.401 1.00 0.00 H new ATOM 0 HH TYR A 65 9.346 -8.499 2.400 1.00 0.00 H new ATOM 1073 N LEU A 66 1.854 -4.486 3.409 1.00 0.00 N ATOM 1074 CA LEU A 66 0.680 -3.649 3.175 1.00 0.00 C ATOM 1075 C LEU A 66 0.977 -2.603 2.105 1.00 0.00 C ATOM 1076 O LEU A 66 1.885 -1.790 2.263 1.00 0.00 O ATOM 1077 CB LEU A 66 0.244 -2.963 4.471 1.00 0.00 C ATOM 1078 CG LEU A 66 1.350 -2.195 5.201 1.00 0.00 C ATOM 1079 CD1 LEU A 66 1.296 -0.716 4.846 1.00 0.00 C ATOM 1080 CD2 LEU A 66 1.231 -2.390 6.705 1.00 0.00 C ATOM 0 H LEU A 66 2.744 -4.018 3.241 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.132 -4.288 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.568 -2.272 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.160 -3.718 5.146 1.00 0.00 H new ATOM 0 HG LEU A 66 2.314 -2.590 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.089 -0.186 5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.431 -0.595 3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.329 -0.307 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.025 -1.837 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.262 -2.023 7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.320 -3.450 6.943 1.00 0.00 H new ATOM 1092 N PHE A 67 0.214 -2.633 1.013 1.00 0.00 N ATOM 1093 CA PHE A 67 0.418 -1.683 -0.078 1.00 0.00 C ATOM 1094 C PHE A 67 -0.528 -0.492 0.038 1.00 0.00 C ATOM 1095 O PHE A 67 -1.746 -0.654 0.144 1.00 0.00 O ATOM 1096 CB PHE A 67 0.241 -2.363 -1.443 1.00 0.00 C ATOM 1097 CG PHE A 67 0.302 -3.865 -1.401 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.447 -4.516 -0.973 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.788 -4.625 -1.791 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.502 -5.896 -0.936 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.742 -6.002 -1.756 1.00 0.00 C ATOM 1102 CZ PHE A 67 0.406 -6.641 -1.327 1.00 0.00 C ATOM 0 H PHE A 67 -0.544 -3.298 0.861 1.00 0.00 H new ATOM 0 HA PHE A 67 1.442 -1.317 -0.000 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.719 -2.062 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.014 -1.999 -2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.306 -3.939 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.688 -4.131 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.401 -6.392 -0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.601 -6.580 -2.063 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.446 -7.720 -1.297 1.00 0.00 H new ATOM 1112 N ILE A 68 0.048 0.705 0.011 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.727 1.937 0.106 1.00 0.00 C ATOM 1114 C ILE A 68 -0.538 2.786 -1.144 1.00 0.00 C ATOM 1115 O ILE A 68 0.585 3.167 -1.481 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.327 2.772 1.340 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.055 1.865 2.515 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -1.458 3.708 1.735 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.545 1.808 2.773 1.00 0.00 C ATOM 0 H ILE A 68 1.054 0.848 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.773 1.646 0.204 1.00 0.00 H new ATOM 0 HB ILE A 68 0.545 3.371 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.448 2.218 3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.311 0.857 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.161 4.290 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.679 4.382 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.347 3.124 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.743 1.148 3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.053 1.426 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.914 2.808 3.000 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.634 3.085 -1.831 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.574 3.892 -3.046 1.00 0.00 C ATOM 1133 C GLN A 69 -1.465 5.375 -2.704 1.00 0.00 C ATOM 1134 O GLN A 69 -2.451 6.109 -2.757 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.806 3.646 -3.917 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.652 4.152 -5.343 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.951 4.109 -6.122 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.792 5.119 -5.926 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -4.198 3.179 -6.890 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.572 2.783 -1.570 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.685 3.596 -3.604 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.017 2.577 -3.940 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.668 4.131 -3.459 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.279 5.176 -5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.904 3.550 -5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.523 2.424 -7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.078 3.164 -7.406 1.00 0.00 H new ATOM 1148 N MET A 70 -0.256 5.805 -2.348 1.00 0.00 N ATOM 1149 CA MET A 70 -0.014 7.200 -1.993 1.00 0.00 C ATOM 1150 C MET A 70 0.397 8.018 -3.214 1.00 0.00 C ATOM 1151 O MET A 70 0.415 7.512 -4.335 1.00 0.00 O ATOM 1152 CB MET A 70 1.060 7.297 -0.906 1.00 0.00 C ATOM 1153 CG MET A 70 2.342 6.554 -1.243 1.00 0.00 C ATOM 1154 SD MET A 70 3.615 6.762 0.018 1.00 0.00 S ATOM 1155 CE MET A 70 2.856 5.929 1.408 1.00 0.00 C ATOM 0 H MET A 70 0.569 5.208 -2.298 1.00 0.00 H new ATOM 0 HA MET A 70 -0.946 7.613 -1.607 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.295 8.347 -0.733 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.657 6.902 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.122 5.493 -1.361 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.723 6.909 -2.201 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.623 6.657 2.185 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.938 5.440 1.082 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.544 5.182 1.804 1.00 0.00 H new ATOM 1165 N ASP A 71 0.728 9.287 -2.986 1.00 0.00 N ATOM 1166 CA ASP A 71 1.139 10.179 -4.064 1.00 0.00 C ATOM 1167 C ASP A 71 2.532 10.749 -3.804 1.00 0.00 C ATOM 1168 O ASP A 71 2.674 11.899 -3.388 1.00 0.00 O ATOM 1169 CB ASP A 71 0.132 11.320 -4.219 1.00 0.00 C ATOM 1170 CG ASP A 71 -0.048 11.743 -5.664 1.00 0.00 C ATOM 1171 OD1 ASP A 71 0.874 11.505 -6.473 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -1.113 12.311 -5.988 1.00 0.00 O ATOM 0 H ASP A 71 0.719 9.720 -2.062 1.00 0.00 H new ATOM 0 HA ASP A 71 1.171 9.600 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.830 11.009 -3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.464 12.176 -3.632 1.00 0.00 H new ATOM 1177 N LEU A 72 3.557 9.940 -4.054 1.00 0.00 N ATOM 1178 CA LEU A 72 4.935 10.370 -3.848 1.00 0.00 C ATOM 1179 C LEU A 72 5.543 10.892 -5.146 1.00 0.00 C ATOM 1180 O LEU A 72 6.420 11.757 -5.128 1.00 0.00 O ATOM 1181 CB LEU A 72 5.783 9.216 -3.305 1.00 0.00 C ATOM 1182 CG LEU A 72 5.275 8.581 -2.005 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.345 7.684 -1.397 1.00 0.00 C ATOM 1184 CD2 LEU A 72 4.848 9.654 -1.014 1.00 0.00 C ATOM 0 H LEU A 72 3.459 8.985 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 72 4.927 11.179 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.843 8.441 -4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.797 9.579 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 72 4.404 7.968 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.968 7.241 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.600 6.893 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.234 8.275 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.491 9.182 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.698 10.296 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.048 10.254 -1.449 1.00 0.00 H new ATOM 1245 N GLU A 77 11.546 14.842 -2.561 1.00 0.00 N ATOM 1246 CA GLU A 77 11.372 14.565 -1.141 1.00 0.00 C ATOM 1247 C GLU A 77 9.914 14.746 -0.720 1.00 0.00 C ATOM 1248 O GLU A 77 9.477 15.861 -0.434 1.00 0.00 O ATOM 1249 CB GLU A 77 12.271 15.482 -0.309 1.00 0.00 C ATOM 1250 CG GLU A 77 13.753 15.300 -0.591 1.00 0.00 C ATOM 1251 CD GLU A 77 14.340 16.446 -1.393 1.00 0.00 C ATOM 1252 OE1 GLU A 77 13.835 17.581 -1.262 1.00 0.00 O ATOM 1253 OE2 GLU A 77 15.304 16.210 -2.149 1.00 0.00 O ATOM 0 HA GLU A 77 11.654 13.527 -0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.997 16.519 -0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.086 15.296 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.290 15.210 0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.904 14.367 -1.134 1.00 0.00 H new ATOM 1260 N PRO A 78 9.140 13.648 -0.673 1.00 0.00 N ATOM 1261 CA PRO A 78 7.727 13.692 -0.285 1.00 0.00 C ATOM 1262 C PRO A 78 7.547 13.894 1.217 1.00 0.00 C ATOM 1263 O PRO A 78 7.746 12.972 2.004 1.00 0.00 O ATOM 1264 CB PRO A 78 7.206 12.318 -0.703 1.00 0.00 C ATOM 1265 CG PRO A 78 8.396 11.426 -0.625 1.00 0.00 C ATOM 1266 CD PRO A 78 9.580 12.276 -0.999 1.00 0.00 C ATOM 0 HA PRO A 78 7.200 14.524 -0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.411 11.977 -0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.793 12.341 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.511 11.017 0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.294 10.580 -1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.469 11.995 -0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.828 12.175 -2.056 1.00 0.00 H new ATOM 1274 N ASN A 79 7.170 15.107 1.605 1.00 0.00 N ATOM 1275 CA ASN A 79 6.964 15.430 3.012 1.00 0.00 C ATOM 1276 C ASN A 79 5.519 15.167 3.430 1.00 0.00 C ATOM 1277 O ASN A 79 4.756 14.534 2.699 1.00 0.00 O ATOM 1278 CB ASN A 79 7.328 16.894 3.276 1.00 0.00 C ATOM 1279 CG ASN A 79 8.266 17.054 4.457 1.00 0.00 C ATOM 1280 OD1 ASN A 79 7.844 16.995 5.612 1.00 0.00 O ATOM 1281 ND2 ASN A 79 9.546 17.258 4.172 1.00 0.00 N ATOM 0 H ASN A 79 7.001 15.883 0.965 1.00 0.00 H new ATOM 0 HA ASN A 79 7.613 14.787 3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.794 17.316 2.386 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.417 17.464 3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.224 17.373 4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.852 17.300 3.200 1.00 0.00 H new ATOM 1288 N GLU A 80 5.150 15.662 4.609 1.00 0.00 N ATOM 1289 CA GLU A 80 3.798 15.495 5.132 1.00 0.00 C ATOM 1290 C GLU A 80 3.407 14.019 5.215 1.00 0.00 C ATOM 1291 O GLU A 80 3.549 13.390 6.263 1.00 0.00 O ATOM 1292 CB GLU A 80 2.797 16.261 4.262 1.00 0.00 C ATOM 1293 CG GLU A 80 2.433 17.630 4.813 1.00 0.00 C ATOM 1294 CD GLU A 80 2.322 18.684 3.729 1.00 0.00 C ATOM 1295 OE1 GLU A 80 3.373 19.186 3.280 1.00 0.00 O ATOM 1296 OE2 GLU A 80 1.184 19.007 3.331 1.00 0.00 O ATOM 0 H GLU A 80 5.774 16.185 5.223 1.00 0.00 H new ATOM 0 HA GLU A 80 3.778 15.902 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.215 16.381 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.889 15.667 4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.485 17.562 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.186 17.938 5.538 1.00 0.00 H new ATOM 1303 N ALA A 81 2.905 13.478 4.110 1.00 0.00 N ATOM 1304 CA ALA A 81 2.482 12.083 4.058 1.00 0.00 C ATOM 1305 C ALA A 81 3.590 11.143 4.521 1.00 0.00 C ATOM 1306 O ALA A 81 3.346 10.214 5.293 1.00 0.00 O ATOM 1307 CB ALA A 81 2.037 11.722 2.651 1.00 0.00 C ATOM 0 H ALA A 81 2.781 13.987 3.235 1.00 0.00 H new ATOM 0 HA ALA A 81 1.640 11.964 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.724 10.678 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.202 12.359 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.866 11.869 1.958 1.00 0.00 H new ATOM 1313 N TRP A 82 4.807 11.382 4.045 1.00 0.00 N ATOM 1314 CA TRP A 82 5.946 10.548 4.414 1.00 0.00 C ATOM 1315 C TRP A 82 6.409 10.848 5.836 1.00 0.00 C ATOM 1316 O TRP A 82 6.918 9.968 6.531 1.00 0.00 O ATOM 1317 CB TRP A 82 7.099 10.759 3.432 1.00 0.00 C ATOM 1318 CG TRP A 82 7.975 9.552 3.276 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.338 9.519 3.320 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.546 8.203 3.052 1.00 0.00 C ATOM 1321 NE1 TRP A 82 9.785 8.234 3.136 1.00 0.00 N ATOM 1322 CE2 TRP A 82 8.704 7.407 2.971 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.296 7.591 2.913 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 8.649 6.032 2.757 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.245 6.224 2.702 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.415 5.460 2.627 1.00 0.00 C ATOM 0 H TRP A 82 5.030 12.144 3.405 1.00 0.00 H new ATOM 0 HA TRP A 82 5.628 9.506 4.371 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.692 11.032 2.458 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.706 11.598 3.771 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.973 10.378 3.477 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.762 7.942 3.124 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.388 8.174 2.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.550 5.439 2.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.286 5.739 2.593 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.341 4.395 2.463 1.00 0.00 H new ATOM 1337 N GLU A 83 6.227 12.092 6.264 1.00 0.00 N ATOM 1338 CA GLU A 83 6.626 12.501 7.606 1.00 0.00 C ATOM 1339 C GLU A 83 5.754 11.824 8.659 1.00 0.00 C ATOM 1340 O GLU A 83 6.201 11.566 9.777 1.00 0.00 O ATOM 1341 CB GLU A 83 6.535 14.023 7.747 1.00 0.00 C ATOM 1342 CG GLU A 83 7.868 14.730 7.570 1.00 0.00 C ATOM 1343 CD GLU A 83 7.949 16.026 8.355 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.050 16.876 8.191 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.914 16.188 9.133 1.00 0.00 O ATOM 0 H GLU A 83 5.807 12.833 5.703 1.00 0.00 H new ATOM 0 HA GLU A 83 7.660 12.193 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.829 14.406 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.132 14.265 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.672 14.066 7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.026 14.940 6.512 1.00 0.00 H new ATOM 1352 N VAL A 84 4.508 11.539 8.294 1.00 0.00 N ATOM 1353 CA VAL A 84 3.575 10.891 9.206 1.00 0.00 C ATOM 1354 C VAL A 84 3.746 9.375 9.179 1.00 0.00 C ATOM 1355 O VAL A 84 3.844 8.732 10.223 1.00 0.00 O ATOM 1356 CB VAL A 84 2.114 11.237 8.859 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.168 10.701 9.922 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.946 12.741 8.693 1.00 0.00 C ATOM 0 H VAL A 84 4.122 11.747 7.373 1.00 0.00 H new ATOM 0 HA VAL A 84 3.800 11.264 10.205 1.00 0.00 H new ATOM 0 HB VAL A 84 1.863 10.760 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.142 10.956 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.268 9.617 9.985 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.415 11.145 10.886 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.908 12.966 8.448 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.217 13.242 9.622 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.593 13.093 7.889 1.00 0.00 H new ATOM 1368 N VAL A 85 3.781 8.811 7.975 1.00 0.00 N ATOM 1369 CA VAL A 85 3.941 7.371 7.811 1.00 0.00 C ATOM 1370 C VAL A 85 5.248 6.893 8.433 1.00 0.00 C ATOM 1371 O VAL A 85 5.270 5.929 9.198 1.00 0.00 O ATOM 1372 CB VAL A 85 3.915 6.969 6.324 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.944 5.454 6.177 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.694 7.556 5.631 1.00 0.00 C ATOM 0 H VAL A 85 3.701 9.329 7.100 1.00 0.00 H new ATOM 0 HA VAL A 85 3.102 6.897 8.321 1.00 0.00 H new ATOM 0 HB VAL A 85 4.806 7.374 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.925 5.191 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.853 5.062 6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.074 5.024 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.694 7.261 4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.789 7.185 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.723 8.643 5.702 1.00 0.00 H new ATOM 1384 N ARG A 86 6.340 7.572 8.095 1.00 0.00 N ATOM 1385 CA ARG A 86 7.655 7.220 8.615 1.00 0.00 C ATOM 1386 C ARG A 86 7.730 7.439 10.125 1.00 0.00 C ATOM 1387 O ARG A 86 8.568 6.846 10.804 1.00 0.00 O ATOM 1388 CB ARG A 86 8.737 8.044 7.916 1.00 0.00 C ATOM 1389 CG ARG A 86 10.088 7.350 7.856 1.00 0.00 C ATOM 1390 CD ARG A 86 11.075 8.117 6.988 1.00 0.00 C ATOM 1391 NE ARG A 86 11.698 7.262 5.982 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.421 7.722 4.962 1.00 0.00 C ATOM 1393 NH1 ARG A 86 12.612 9.027 4.811 1.00 0.00 N ATOM 1394 NH2 ARG A 86 12.953 6.875 4.091 1.00 0.00 N ATOM 0 H ARG A 86 6.339 8.371 7.461 1.00 0.00 H new ATOM 0 HA ARG A 86 7.822 6.162 8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.410 8.272 6.902 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.850 8.995 8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.491 7.249 8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.962 6.342 7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.560 8.941 6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.848 8.556 7.619 1.00 0.00 H new ATOM 0 HE ARG A 86 11.572 6.253 6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.204 9.683 5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.166 9.374 4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.809 5.871 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.507 7.227 3.310 1.00 0.00 H new ATOM 1408 N GLY A 87 6.856 8.296 10.643 1.00 0.00 N ATOM 1409 CA GLY A 87 6.851 8.577 12.068 1.00 0.00 C ATOM 1410 C GLY A 87 5.864 7.715 12.835 1.00 0.00 C ATOM 1411 O GLY A 87 6.009 7.524 14.042 1.00 0.00 O ATOM 0 H GLY A 87 6.152 8.800 10.103 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.852 8.418 12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.607 9.628 12.226 1.00 0.00 H new ATOM 1415 N THR A 88 4.858 7.197 12.137 1.00 0.00 N ATOM 1416 CA THR A 88 3.847 6.355 12.768 1.00 0.00 C ATOM 1417 C THR A 88 4.462 5.052 13.277 1.00 0.00 C ATOM 1418 O THR A 88 5.383 4.512 12.666 1.00 0.00 O ATOM 1419 CB THR A 88 2.713 6.050 11.785 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.124 6.296 10.451 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.463 6.863 12.043 1.00 0.00 C ATOM 0 H THR A 88 4.721 7.345 11.137 1.00 0.00 H new ATOM 0 HA THR A 88 3.439 6.900 13.619 1.00 0.00 H new ATOM 0 HB THR A 88 2.476 4.997 11.934 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.970 5.832 10.279 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.699 6.598 11.312 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.093 6.653 13.046 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.695 7.925 11.957 1.00 0.00 H new ATOM 1429 N PRO A 89 3.954 4.528 14.407 1.00 0.00 N ATOM 1430 CA PRO A 89 4.457 3.281 14.992 1.00 0.00 C ATOM 1431 C PRO A 89 4.103 2.061 14.147 1.00 0.00 C ATOM 1432 O PRO A 89 4.790 1.041 14.194 1.00 0.00 O ATOM 1433 CB PRO A 89 3.753 3.214 16.348 1.00 0.00 C ATOM 1434 CG PRO A 89 2.505 4.006 16.163 1.00 0.00 C ATOM 1435 CD PRO A 89 2.851 5.106 15.198 1.00 0.00 C ATOM 0 HA PRO A 89 5.545 3.274 15.061 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.531 2.184 16.629 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.375 3.633 17.139 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.701 3.382 15.772 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.158 4.415 17.112 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.001 5.372 14.569 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.160 6.014 15.716 1.00 0.00 H new ATOM 1443 N GLY A 90 3.025 2.174 13.376 1.00 0.00 N ATOM 1444 CA GLY A 90 2.598 1.074 12.532 1.00 0.00 C ATOM 1445 C GLY A 90 3.687 0.616 11.581 1.00 0.00 C ATOM 1446 O GLY A 90 3.726 -0.549 11.185 1.00 0.00 O ATOM 0 H GLY A 90 2.440 3.008 13.321 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.292 0.237 13.159 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.723 1.379 11.958 1.00 0.00 H new ATOM 1450 N ILE A 91 4.575 1.535 11.214 1.00 0.00 N ATOM 1451 CA ILE A 91 5.668 1.218 10.304 1.00 0.00 C ATOM 1452 C ILE A 91 6.889 0.727 11.073 1.00 0.00 C ATOM 1453 O ILE A 91 7.366 1.392 11.992 1.00 0.00 O ATOM 1454 CB ILE A 91 6.063 2.439 9.449 1.00 0.00 C ATOM 1455 CG1 ILE A 91 4.845 2.965 8.685 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.186 2.077 8.484 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.325 1.996 7.645 1.00 0.00 C ATOM 0 H ILE A 91 4.558 2.504 11.533 1.00 0.00 H new ATOM 0 HA ILE A 91 5.314 0.427 9.643 1.00 0.00 H new ATOM 0 HB ILE A 91 6.424 3.226 10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.048 3.187 9.395 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.108 3.904 8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.451 2.951 7.889 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.057 1.744 9.048 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.854 1.276 7.823 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.462 2.431 7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.107 1.792 6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.031 1.065 8.130 1.00 0.00 H new ATOM 1567 N ARG A 100 14.103 2.671 1.779 1.00 0.00 N ATOM 1568 CA ARG A 100 13.251 2.074 2.798 1.00 0.00 C ATOM 1569 C ARG A 100 11.925 1.601 2.202 1.00 0.00 C ATOM 1570 O ARG A 100 11.577 0.424 2.306 1.00 0.00 O ATOM 1571 CB ARG A 100 12.992 3.072 3.930 1.00 0.00 C ATOM 1572 CG ARG A 100 14.189 3.277 4.845 1.00 0.00 C ATOM 1573 CD ARG A 100 14.021 2.533 6.161 1.00 0.00 C ATOM 1574 NE ARG A 100 14.184 1.090 6.000 1.00 0.00 N ATOM 1575 CZ ARG A 100 14.481 0.260 6.997 1.00 0.00 C ATOM 1576 NH1 ARG A 100 14.643 0.724 8.231 1.00 0.00 N ATOM 1577 NH2 ARG A 100 14.612 -1.037 6.762 1.00 0.00 N ATOM 0 HA ARG A 100 13.772 1.206 3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.706 4.031 3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.147 2.724 4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.094 2.932 4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.319 4.341 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.751 2.902 6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.033 2.742 6.572 1.00 0.00 H new ATOM 0 HE ARG A 100 14.063 0.695 5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.540 1.721 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.871 0.083 8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.485 -1.399 5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.840 -1.673 7.526 1.00 0.00 H new ATOM 1591 N PRO A 101 11.163 2.508 1.563 1.00 0.00 N ATOM 1592 CA PRO A 101 9.873 2.163 0.953 1.00 0.00 C ATOM 1593 C PRO A 101 10.015 1.086 -0.116 1.00 0.00 C ATOM 1594 O PRO A 101 11.067 0.951 -0.740 1.00 0.00 O ATOM 1595 CB PRO A 101 9.390 3.482 0.332 1.00 0.00 C ATOM 1596 CG PRO A 101 10.606 4.338 0.238 1.00 0.00 C ATOM 1597 CD PRO A 101 11.488 3.933 1.382 1.00 0.00 C ATOM 0 HA PRO A 101 9.177 1.753 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.948 3.316 -0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.625 3.951 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 101 11.113 4.192 -0.716 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.345 5.394 0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.543 4.080 1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.275 4.513 2.280 1.00 0.00 H new ATOM 1605 N VAL A 102 8.949 0.320 -0.319 1.00 0.00 N ATOM 1606 CA VAL A 102 8.954 -0.751 -1.310 1.00 0.00 C ATOM 1607 C VAL A 102 7.873 -0.531 -2.366 1.00 0.00 C ATOM 1608 O VAL A 102 6.789 -1.108 -2.285 1.00 0.00 O ATOM 1609 CB VAL A 102 8.736 -2.126 -0.651 1.00 0.00 C ATOM 1610 CG1 VAL A 102 9.087 -3.245 -1.621 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.552 -2.246 0.628 1.00 0.00 C ATOM 0 H VAL A 102 8.070 0.420 0.189 1.00 0.00 H new ATOM 0 HA VAL A 102 9.934 -0.734 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 102 7.682 -2.217 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.927 -4.209 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.453 -3.172 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.133 -3.156 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.383 -3.225 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.611 -2.131 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.247 -1.468 1.328 1.00 0.00 H new ATOM 1621 N PRO A 103 8.157 0.308 -3.378 1.00 0.00 N ATOM 1622 CA PRO A 103 7.202 0.593 -4.453 1.00 0.00 C ATOM 1623 C PRO A 103 6.910 -0.639 -5.302 1.00 0.00 C ATOM 1624 O PRO A 103 7.797 -1.167 -5.973 1.00 0.00 O ATOM 1625 CB PRO A 103 7.900 1.670 -5.287 1.00 0.00 C ATOM 1626 CG PRO A 103 9.350 1.522 -4.976 1.00 0.00 C ATOM 1627 CD PRO A 103 9.426 1.035 -3.556 1.00 0.00 C ATOM 0 HA PRO A 103 6.234 0.909 -4.064 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.709 1.530 -6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.540 2.665 -5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.824 0.814 -5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.872 2.472 -5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.287 0.385 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.518 1.862 -2.852 1.00 0.00 H new ATOM 1635 N LEU A 104 5.664 -1.091 -5.264 1.00 0.00 N ATOM 1636 CA LEU A 104 5.249 -2.263 -6.024 1.00 0.00 C ATOM 1637 C LEU A 104 5.216 -1.961 -7.521 1.00 0.00 C ATOM 1638 O LEU A 104 4.950 -0.831 -7.930 1.00 0.00 O ATOM 1639 CB LEU A 104 3.873 -2.738 -5.552 1.00 0.00 C ATOM 1640 CG LEU A 104 3.881 -4.011 -4.705 1.00 0.00 C ATOM 1641 CD1 LEU A 104 4.002 -3.670 -3.228 1.00 0.00 C ATOM 1642 CD2 LEU A 104 2.625 -4.831 -4.962 1.00 0.00 C ATOM 0 H LEU A 104 4.920 -0.662 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 104 5.978 -3.055 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.409 -1.939 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.244 -2.906 -6.426 1.00 0.00 H new ATOM 0 HG LEU A 104 4.747 -4.608 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.006 -4.589 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.930 -3.125 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.157 -3.051 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.648 -5.733 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.746 -4.240 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.580 -5.108 -6.015 1.00 0.00 H new ATOM 1654 N SER A 105 5.486 -2.979 -8.332 1.00 0.00 N ATOM 1655 CA SER A 105 5.486 -2.824 -9.782 1.00 0.00 C ATOM 1656 C SER A 105 4.087 -3.044 -10.353 1.00 0.00 C ATOM 1657 O SER A 105 3.306 -3.831 -9.816 1.00 0.00 O ATOM 1658 CB SER A 105 6.472 -3.805 -10.421 1.00 0.00 C ATOM 1659 OG SER A 105 7.791 -3.575 -9.959 1.00 0.00 O ATOM 0 H SER A 105 5.708 -3.921 -8.009 1.00 0.00 H new ATOM 0 HA SER A 105 5.797 -1.805 -10.014 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.175 -4.828 -10.188 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.440 -3.703 -11.506 1.00 0.00 H new ATOM 0 HG SER A 105 8.402 -4.215 -10.380 1.00 0.00 H new ATOM 1665 N PRO A 106 3.751 -2.351 -11.455 1.00 0.00 N ATOM 1666 CA PRO A 106 2.440 -2.474 -12.101 1.00 0.00 C ATOM 1667 C PRO A 106 2.057 -3.924 -12.369 1.00 0.00 C ATOM 1668 O PRO A 106 0.891 -4.301 -12.249 1.00 0.00 O ATOM 1669 CB PRO A 106 2.602 -1.704 -13.421 1.00 0.00 C ATOM 1670 CG PRO A 106 4.068 -1.441 -13.560 1.00 0.00 C ATOM 1671 CD PRO A 106 4.616 -1.401 -12.164 1.00 0.00 C ATOM 0 HA PRO A 106 1.643 -2.083 -11.468 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.227 -2.287 -14.263 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.037 -0.772 -13.402 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.551 -2.223 -14.146 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.248 -0.498 -14.077 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.663 -1.703 -12.130 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.558 -0.401 -11.734 1.00 0.00 H new ATOM 1679 N ASP A 107 3.044 -4.736 -12.734 1.00 0.00 N ATOM 1680 CA ASP A 107 2.807 -6.146 -13.019 1.00 0.00 C ATOM 1681 C ASP A 107 2.449 -6.906 -11.746 1.00 0.00 C ATOM 1682 O ASP A 107 1.720 -7.898 -11.787 1.00 0.00 O ATOM 1683 CB ASP A 107 4.040 -6.771 -13.672 1.00 0.00 C ATOM 1684 CG ASP A 107 5.263 -6.707 -12.779 1.00 0.00 C ATOM 1685 OD1 ASP A 107 5.579 -5.604 -12.285 1.00 0.00 O ATOM 1686 OD2 ASP A 107 5.906 -7.757 -12.575 1.00 0.00 O ATOM 0 H ASP A 107 4.015 -4.442 -12.839 1.00 0.00 H new ATOM 0 HA ASP A 107 1.966 -6.215 -13.709 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.829 -7.811 -13.920 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.251 -6.257 -14.610 1.00 0.00 H new ATOM 1691 N GLU A 108 2.965 -6.436 -10.615 1.00 0.00 N ATOM 1692 CA GLU A 108 2.700 -7.073 -9.330 1.00 0.00 C ATOM 1693 C GLU A 108 1.478 -6.454 -8.657 1.00 0.00 C ATOM 1694 O GLU A 108 0.743 -7.133 -7.941 1.00 0.00 O ATOM 1695 CB GLU A 108 3.918 -6.948 -8.413 1.00 0.00 C ATOM 1696 CG GLU A 108 3.963 -7.997 -7.314 1.00 0.00 C ATOM 1697 CD GLU A 108 5.370 -8.495 -7.043 1.00 0.00 C ATOM 1698 OE1 GLU A 108 6.036 -8.944 -7.999 1.00 0.00 O ATOM 1699 OE2 GLU A 108 5.803 -8.438 -5.872 1.00 0.00 O ATOM 0 H GLU A 108 3.569 -5.616 -10.562 1.00 0.00 H new ATOM 0 HA GLU A 108 2.498 -8.128 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.824 -7.025 -9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.920 -5.957 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.547 -7.577 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.331 -8.839 -7.594 1.00 0.00 H new ATOM 1706 N VAL A 109 1.268 -5.163 -8.891 1.00 0.00 N ATOM 1707 CA VAL A 109 0.137 -4.453 -8.306 1.00 0.00 C ATOM 1708 C VAL A 109 -1.186 -5.006 -8.824 1.00 0.00 C ATOM 1709 O VAL A 109 -2.168 -5.086 -8.086 1.00 0.00 O ATOM 1710 CB VAL A 109 0.198 -2.944 -8.609 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -0.890 -2.201 -7.850 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.572 -2.385 -8.269 1.00 0.00 C ATOM 0 H VAL A 109 1.867 -4.587 -9.482 1.00 0.00 H new ATOM 0 HA VAL A 109 0.197 -4.602 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 109 0.027 -2.800 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.830 -1.137 -8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.867 -2.582 -8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.754 -2.351 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.595 -1.318 -8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.776 -2.541 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.330 -2.895 -8.864 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.207 -5.385 -10.095 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.414 -5.925 -10.709 1.00 0.00 C ATOM 1724 C ARG A 110 -2.742 -7.302 -10.146 1.00 0.00 C ATOM 1725 O ARG A 110 -3.909 -7.686 -10.061 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.248 -6.005 -12.228 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.545 -6.289 -12.967 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.598 -5.556 -14.299 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.284 -6.336 -15.325 1.00 0.00 N ATOM 1730 CZ ARG A 110 -3.729 -7.353 -15.978 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -2.482 -7.722 -15.711 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -4.424 -8.008 -16.897 1.00 0.00 N ATOM 0 H ARG A 110 -0.403 -5.329 -10.721 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.241 -5.253 -10.477 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.832 -5.065 -12.590 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.526 -6.786 -12.466 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.642 -7.361 -13.136 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.391 -5.986 -12.350 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.108 -4.602 -14.168 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.584 -5.333 -14.631 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.246 -6.086 -15.555 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.944 -7.225 -15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.062 -8.503 -16.215 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.384 -7.732 -17.103 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.999 -8.788 -17.398 1.00 0.00 H new ATOM 1746 N HIS A 111 -1.709 -8.040 -9.758 1.00 0.00 N ATOM 1747 CA HIS A 111 -1.896 -9.373 -9.200 1.00 0.00 C ATOM 1748 C HIS A 111 -2.349 -9.291 -7.749 1.00 0.00 C ATOM 1749 O HIS A 111 -3.241 -10.025 -7.324 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.601 -10.180 -9.299 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.814 -11.662 -9.245 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.346 -12.453 -8.217 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.452 -12.498 -10.098 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.684 -13.710 -8.440 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.358 -13.763 -9.575 1.00 0.00 N ATOM 0 H HIS A 111 -0.736 -7.739 -9.819 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.671 -9.877 -9.778 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.095 -9.927 -10.231 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.063 -9.887 -8.486 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.943 -12.221 -11.019 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.450 -14.551 -7.804 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.746 -14.608 -9.995 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.736 -8.387 -6.991 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.089 -8.211 -5.589 1.00 0.00 C ATOM 1766 C ILE A 112 -3.418 -7.477 -5.453 1.00 0.00 C ATOM 1767 O ILE A 112 -4.154 -7.678 -4.486 1.00 0.00 O ATOM 1768 CB ILE A 112 -0.992 -7.446 -4.816 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -0.940 -5.979 -5.251 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.362 -8.112 -5.023 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -1.919 -5.098 -4.507 1.00 0.00 C ATOM 0 H ILE A 112 -0.996 -7.768 -7.323 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.183 -9.207 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.237 -7.476 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.070 -5.598 -5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.146 -5.917 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.126 -7.562 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.322 -9.139 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.609 -8.112 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.829 -4.072 -4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.934 -5.455 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.700 -5.131 -3.440 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.726 -6.629 -6.434 1.00 0.00 N ATOM 1784 CA LEU A 113 -4.973 -5.875 -6.422 1.00 0.00 C ATOM 1785 C LEU A 113 -6.146 -6.777 -6.792 1.00 0.00 C ATOM 1786 O LEU A 113 -7.270 -6.570 -6.337 1.00 0.00 O ATOM 1787 CB LEU A 113 -4.900 -4.700 -7.400 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.187 -3.451 -6.876 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.190 -2.355 -7.930 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -4.839 -2.960 -5.590 1.00 0.00 C ATOM 0 H LEU A 113 -3.130 -6.449 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.125 -5.489 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.393 -5.034 -8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.915 -4.425 -7.687 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.152 -3.713 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.679 -1.474 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.675 -2.708 -8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.218 -2.096 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.317 -2.072 -5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.884 -2.715 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.783 -3.742 -4.832 1.00 0.00 H new ATOM 1802 N GLU A 114 -5.873 -7.779 -7.625 1.00 0.00 N ATOM 1803 CA GLU A 114 -6.905 -8.712 -8.060 1.00 0.00 C ATOM 1804 C GLU A 114 -7.346 -9.619 -6.916 1.00 0.00 C ATOM 1805 O GLU A 114 -8.482 -10.097 -6.894 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.393 -9.559 -9.228 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.418 -10.545 -9.761 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.603 -9.859 -10.413 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -9.582 -9.557 -9.698 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.552 -9.623 -11.639 1.00 0.00 O ATOM 0 H GLU A 114 -4.947 -7.964 -8.011 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.767 -8.131 -8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.083 -8.897 -10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.507 -10.107 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.940 -11.204 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.771 -11.174 -8.944 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.447 -9.860 -5.968 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.754 -10.715 -4.828 1.00 0.00 C ATOM 1819 C VAL A 115 -7.371 -9.917 -3.687 1.00 0.00 C ATOM 1820 O VAL A 115 -8.419 -10.285 -3.155 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.503 -11.450 -4.301 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.906 -12.712 -3.552 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.545 -11.782 -5.438 1.00 0.00 C ATOM 0 H VAL A 115 -5.502 -9.476 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.471 -11.453 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.984 -10.786 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.013 -13.219 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.543 -12.447 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.451 -13.375 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.672 -12.299 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.048 -12.423 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.228 -10.861 -5.928 1.00 0.00 H new ATOM 1833 N SER A 116 -6.721 -8.819 -3.313 1.00 0.00 N ATOM 1834 CA SER A 116 -7.213 -7.972 -2.233 1.00 0.00 C ATOM 1835 C SER A 116 -8.666 -7.573 -2.475 1.00 0.00 C ATOM 1836 O SER A 116 -9.555 -7.932 -1.702 1.00 0.00 O ATOM 1837 CB SER A 116 -6.345 -6.721 -2.097 1.00 0.00 C ATOM 1838 OG SER A 116 -6.766 -5.928 -1.002 1.00 0.00 O ATOM 0 H SER A 116 -5.854 -8.496 -3.742 1.00 0.00 H new ATOM 0 HA SER A 116 -7.159 -8.543 -1.306 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.303 -7.010 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.397 -6.136 -3.015 1.00 0.00 H new ATOM 0 HG SER A 116 -7.546 -5.396 -1.264 1.00 0.00 H new ATOM 1844 N GLY A 117 -8.899 -6.837 -3.555 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.249 -6.409 -3.881 1.00 0.00 C ATOM 1846 C GLY A 117 -10.300 -5.005 -4.449 1.00 0.00 C ATOM 1847 O GLY A 117 -11.105 -4.182 -4.010 1.00 0.00 O ATOM 0 H GLY A 117 -8.180 -6.529 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.681 -7.103 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -10.866 -6.456 -2.984 1.00 0.00 H new ATOM 1851 N LEU A 118 -9.446 -4.730 -5.428 1.00 0.00 N ATOM 1852 CA LEU A 118 -9.403 -3.412 -6.054 1.00 0.00 C ATOM 1853 C LEU A 118 -9.372 -3.518 -7.580 1.00 0.00 C ATOM 1854 O LEU A 118 -9.230 -2.509 -8.274 1.00 0.00 O ATOM 1855 CB LEU A 118 -8.184 -2.632 -5.564 1.00 0.00 C ATOM 1856 CG LEU A 118 -7.935 -2.696 -4.054 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -6.790 -1.773 -3.661 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.202 -2.342 -3.286 1.00 0.00 C ATOM 0 H LEU A 118 -8.775 -5.399 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.311 -2.881 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.300 -3.009 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.300 -1.588 -5.853 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.654 -3.717 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.628 -1.832 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.882 -2.077 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.039 -0.748 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.005 -2.393 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.517 -1.332 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.992 -3.047 -3.543 1.00 0.00 H new ATOM 1870 N LEU A 119 -9.507 -4.734 -8.100 1.00 0.00 N ATOM 1871 CA LEU A 119 -9.494 -4.954 -9.542 1.00 0.00 C ATOM 1872 C LEU A 119 -10.602 -5.918 -9.953 1.00 0.00 C ATOM 1873 O LEU A 119 -10.401 -6.787 -10.804 1.00 0.00 O ATOM 1874 CB LEU A 119 -8.135 -5.497 -9.986 1.00 0.00 C ATOM 1875 CG LEU A 119 -7.650 -4.991 -11.347 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -6.191 -4.563 -11.273 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -7.839 -6.060 -12.414 1.00 0.00 C ATOM 0 H LEU A 119 -9.627 -5.581 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.669 -3.997 -10.033 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.392 -5.236 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.188 -6.585 -10.018 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.248 -4.122 -11.621 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -5.866 -4.207 -12.251 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.083 -3.763 -10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.577 -5.413 -10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.489 -5.682 -13.374 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.268 -6.949 -12.144 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.896 -6.316 -12.489 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.773 -5.762 -9.344 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.896 -6.624 -9.658 1.00 0.00 C ATOM 1891 C GLY A 120 -14.200 -5.860 -9.774 1.00 0.00 C ATOM 1892 O GLY A 120 -15.088 -6.312 -10.526 1.00 0.00 O ATOM 1893 OXT GLY A 120 -14.332 -4.809 -9.112 1.00 0.00 O ATOM 0 H GLY A 120 -11.964 -5.052 -8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.699 -7.145 -10.595 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -12.993 -7.386 -8.884 1.00 0.00 H new