USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=11 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 37 GLN :FLIP amide:sc= 0 F(o=-4,f=-3) USER MOD Set 1.2: A 69 GLN :FLIP amide:sc= -3.05 F(o=-4.5,f=-3) USER MOD Set 2.1: A 9 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.3) USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.487 USER MOD Single : A 10 THR OG1 : rot -148:sc= -1 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.374 X(o=-0.37,f=0) 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= -0.167 X(o=-0.17,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= -0.769 (180deg=-1.52!) USER MOD Single : A 42 THR OG1 : rot 20:sc= -0.258 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 70 MET CE :methyl -111:sc= -1.34 (180deg=-4.85!) USER MOD Single : A 79 ASN : amide:sc= -0.651 K(o=-0.65,f=-2.9!) USER MOD Single : A 88 THR OG1 : rot 37:sc= 0.143 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0407 X(o=-0.041,f=-0.14) USER MOD Single : A 116 SER OG : rot 22:sc= -1.34! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.259 6.956 -9.363 1.00 0.00 N ATOM 15 CA ILE A 3 0.413 6.898 -8.070 1.00 0.00 C ATOM 16 C ILE A 3 1.193 5.593 -7.925 1.00 0.00 C ATOM 17 O ILE A 3 1.335 4.840 -8.889 1.00 0.00 O ATOM 18 CB ILE A 3 -0.589 7.040 -6.907 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.628 5.916 -6.944 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.269 8.400 -6.962 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.588 6.006 -8.112 1.00 0.00 C ATOM 0 HA ILE A 3 1.109 7.736 -8.027 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.041 6.962 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.111 4.957 -6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.199 5.931 -6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.974 8.488 -6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.518 9.186 -6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.803 8.502 -7.907 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.293 5.176 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.134 6.948 -8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.029 5.959 -9.047 1.00 0.00 H new ATOM 33 N GLU A 4 1.715 5.331 -6.728 1.00 0.00 N ATOM 34 CA GLU A 4 2.494 4.118 -6.495 1.00 0.00 C ATOM 35 C GLU A 4 2.045 3.372 -5.239 1.00 0.00 C ATOM 36 O GLU A 4 1.612 3.977 -4.253 1.00 0.00 O ATOM 37 CB GLU A 4 3.980 4.465 -6.384 1.00 0.00 C ATOM 38 CG GLU A 4 4.534 5.167 -7.613 1.00 0.00 C ATOM 39 CD GLU A 4 6.013 5.479 -7.487 1.00 0.00 C ATOM 40 OE1 GLU A 4 6.800 4.539 -7.258 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.382 6.665 -7.620 1.00 0.00 O ATOM 0 H GLU A 4 1.614 5.936 -5.913 1.00 0.00 H new ATOM 0 HA GLU A 4 2.327 3.458 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.132 5.102 -5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.546 3.550 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.372 4.540 -8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.983 6.093 -7.777 1.00 0.00 H new ATOM 48 N TRP A 5 2.175 2.048 -5.286 1.00 0.00 N ATOM 49 CA TRP A 5 1.811 1.189 -4.165 1.00 0.00 C ATOM 50 C TRP A 5 3.060 0.793 -3.384 1.00 0.00 C ATOM 51 O TRP A 5 3.738 -0.173 -3.735 1.00 0.00 O ATOM 52 CB TRP A 5 1.101 -0.070 -4.665 1.00 0.00 C ATOM 53 CG TRP A 5 -0.319 0.157 -5.082 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.765 0.501 -6.326 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.484 0.050 -4.255 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.134 0.611 -6.323 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.599 0.342 -5.063 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.690 -0.264 -2.910 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.901 0.328 -4.567 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.981 -0.278 -2.420 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.073 0.015 -3.246 1.00 0.00 C ATOM 0 H TRP A 5 2.533 1.544 -6.097 1.00 0.00 H new ATOM 0 HA TRP A 5 1.135 1.741 -3.512 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.657 -0.477 -5.510 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.122 -0.823 -3.878 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.133 0.663 -7.187 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.711 0.854 -7.128 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.855 -0.492 -2.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.744 0.556 -5.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.151 -0.519 -1.381 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.070 -0.006 -2.832 1.00 0.00 H new ATOM 72 N TYR A 6 3.367 1.544 -2.333 1.00 0.00 N ATOM 73 CA TYR A 6 4.545 1.264 -1.521 1.00 0.00 C ATOM 74 C TYR A 6 4.253 0.202 -0.470 1.00 0.00 C ATOM 75 O TYR A 6 3.306 0.321 0.307 1.00 0.00 O ATOM 76 CB TYR A 6 5.042 2.546 -0.854 1.00 0.00 C ATOM 77 CG TYR A 6 5.702 3.505 -1.818 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.950 4.431 -2.529 1.00 0.00 C ATOM 79 CD2 TYR A 6 7.076 3.484 -2.019 1.00 0.00 C ATOM 80 CE1 TYR A 6 5.548 5.308 -3.413 1.00 0.00 C ATOM 81 CE2 TYR A 6 7.682 4.357 -2.901 1.00 0.00 C ATOM 82 CZ TYR A 6 6.914 5.266 -3.596 1.00 0.00 C ATOM 83 OH TYR A 6 7.514 6.138 -4.475 1.00 0.00 O ATOM 0 H TYR A 6 2.820 2.347 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 6 5.324 0.879 -2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.201 3.046 -0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.751 2.287 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.880 4.466 -2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.681 2.773 -1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.949 6.023 -3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.752 4.327 -3.045 1.00 0.00 H new ATOM 0 HH TYR A 6 8.481 5.978 -4.486 1.00 0.00 H new ATOM 93 N ALA A 7 5.079 -0.842 -0.454 1.00 0.00 N ATOM 94 CA ALA A 7 4.916 -1.932 0.500 1.00 0.00 C ATOM 95 C ALA A 7 5.953 -1.844 1.613 1.00 0.00 C ATOM 96 O ALA A 7 7.156 -1.801 1.352 1.00 0.00 O ATOM 97 CB ALA A 7 5.015 -3.273 -0.212 1.00 0.00 C ATOM 0 H ALA A 7 5.867 -0.954 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 7 3.928 -1.845 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.892 -4.079 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.233 -3.342 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.991 -3.360 -0.689 1.00 0.00 H new ATOM 103 N VAL A 8 5.481 -1.817 2.854 1.00 0.00 N ATOM 104 CA VAL A 8 6.371 -1.734 4.007 1.00 0.00 C ATOM 105 C VAL A 8 6.409 -3.055 4.765 1.00 0.00 C ATOM 106 O VAL A 8 5.508 -3.885 4.645 1.00 0.00 O ATOM 107 CB VAL A 8 5.955 -0.594 4.964 1.00 0.00 C ATOM 108 CG1 VAL A 8 4.447 -0.573 5.156 1.00 0.00 C ATOM 109 CG2 VAL A 8 6.664 -0.700 6.310 1.00 0.00 C ATOM 0 H VAL A 8 4.489 -1.851 3.088 1.00 0.00 H new ATOM 0 HA VAL A 8 7.369 -1.516 3.626 1.00 0.00 H new ATOM 0 HB VAL A 8 6.260 0.345 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.178 0.237 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.960 -0.418 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.121 -1.523 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.345 0.119 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.412 -1.651 6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.742 -0.644 6.159 1.00 0.00 H new ATOM 119 N HIS A 9 7.466 -3.234 5.544 1.00 0.00 N ATOM 120 CA HIS A 9 7.643 -4.447 6.333 1.00 0.00 C ATOM 121 C HIS A 9 7.166 -4.238 7.767 1.00 0.00 C ATOM 122 O HIS A 9 7.686 -3.386 8.486 1.00 0.00 O ATOM 123 CB HIS A 9 9.113 -4.870 6.329 1.00 0.00 C ATOM 124 CG HIS A 9 9.592 -5.346 4.994 1.00 0.00 C ATOM 125 ND1 HIS A 9 10.094 -6.612 4.782 1.00 0.00 N ATOM 126 CD2 HIS A 9 9.644 -4.718 3.795 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.433 -6.741 3.512 1.00 0.00 C ATOM 128 NE2 HIS A 9 10.168 -5.606 2.891 1.00 0.00 N ATOM 0 H HIS A 9 8.218 -2.552 5.647 1.00 0.00 H new ATOM 0 HA HIS A 9 7.042 -5.237 5.881 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.727 -4.027 6.647 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.257 -5.664 7.062 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.331 -3.705 3.589 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.856 -7.625 3.058 1.00 0.00 H new ATOM 0 HE2 HIS A 9 10.327 -5.420 1.901 1.00 0.00 H new ATOM 137 N THR A 10 6.172 -5.020 8.177 1.00 0.00 N ATOM 138 CA THR A 10 5.625 -4.920 9.524 1.00 0.00 C ATOM 139 C THR A 10 5.738 -6.253 10.258 1.00 0.00 C ATOM 140 O THR A 10 6.065 -7.277 9.659 1.00 0.00 O ATOM 141 CB THR A 10 4.162 -4.477 9.472 1.00 0.00 C ATOM 142 OG1 THR A 10 3.357 -5.475 8.870 1.00 0.00 O ATOM 143 CG2 THR A 10 3.954 -3.191 8.702 1.00 0.00 C ATOM 0 H THR A 10 5.729 -5.730 7.594 1.00 0.00 H new ATOM 0 HA THR A 10 6.204 -4.175 10.069 1.00 0.00 H new ATOM 0 HB THR A 10 3.873 -4.311 10.510 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.614 -5.051 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.895 -2.933 8.704 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.523 -2.389 9.172 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.294 -3.323 7.675 1.00 0.00 H new ATOM 151 N LEU A 11 5.465 -6.232 11.559 1.00 0.00 N ATOM 152 CA LEU A 11 5.534 -7.436 12.374 1.00 0.00 C ATOM 153 C LEU A 11 4.230 -8.225 12.295 1.00 0.00 C ATOM 154 O LEU A 11 3.165 -7.659 12.045 1.00 0.00 O ATOM 155 CB LEU A 11 5.842 -7.076 13.830 1.00 0.00 C ATOM 156 CG LEU A 11 7.307 -7.238 14.239 1.00 0.00 C ATOM 157 CD1 LEU A 11 7.789 -8.651 13.951 1.00 0.00 C ATOM 158 CD2 LEU A 11 8.177 -6.218 13.519 1.00 0.00 C ATOM 0 H LEU A 11 5.194 -5.392 12.070 1.00 0.00 H new ATOM 0 HA LEU A 11 6.338 -8.061 11.985 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.544 -6.042 14.004 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.228 -7.699 14.480 1.00 0.00 H new ATOM 0 HG LEU A 11 7.387 -7.061 15.312 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.833 -8.747 14.249 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.185 -9.363 14.513 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.695 -8.857 12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.216 -6.348 13.822 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.092 -6.363 12.442 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.847 -5.212 13.777 1.00 0.00 H new ATOM 170 N VAL A 12 4.320 -9.533 12.511 1.00 0.00 N ATOM 171 CA VAL A 12 3.149 -10.399 12.466 1.00 0.00 C ATOM 172 C VAL A 12 2.183 -10.077 13.604 1.00 0.00 C ATOM 173 O VAL A 12 2.542 -10.159 14.779 1.00 0.00 O ATOM 174 CB VAL A 12 3.546 -11.887 12.543 1.00 0.00 C ATOM 175 CG1 VAL A 12 4.247 -12.189 13.860 1.00 0.00 C ATOM 176 CG2 VAL A 12 2.327 -12.778 12.361 1.00 0.00 C ATOM 0 H VAL A 12 5.194 -10.017 12.719 1.00 0.00 H new ATOM 0 HA VAL A 12 2.654 -10.215 11.512 1.00 0.00 H new ATOM 0 HB VAL A 12 4.244 -12.098 11.732 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.519 -13.244 13.894 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.147 -11.580 13.941 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.578 -11.960 14.689 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.629 -13.824 12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.601 -12.566 13.146 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.876 -12.584 11.388 1.00 0.00 H new ATOM 186 N GLY A 13 0.955 -9.714 13.245 1.00 0.00 N ATOM 187 CA GLY A 13 -0.043 -9.388 14.247 1.00 0.00 C ATOM 188 C GLY A 13 -0.139 -7.897 14.508 1.00 0.00 C ATOM 189 O GLY A 13 -1.185 -7.398 14.922 1.00 0.00 O ATOM 0 H GLY A 13 0.634 -9.640 12.280 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.015 -9.760 13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.200 -9.902 15.177 1.00 0.00 H new ATOM 193 N GLN A 14 0.956 -7.184 14.266 1.00 0.00 N ATOM 194 CA GLN A 14 0.993 -5.741 14.479 1.00 0.00 C ATOM 195 C GLN A 14 0.481 -4.993 13.252 1.00 0.00 C ATOM 196 O GLN A 14 -0.005 -3.867 13.359 1.00 0.00 O ATOM 197 CB GLN A 14 2.417 -5.290 14.807 1.00 0.00 C ATOM 198 CG GLN A 14 2.751 -5.363 16.289 1.00 0.00 C ATOM 199 CD GLN A 14 2.311 -4.126 17.047 1.00 0.00 C ATOM 200 OE1 GLN A 14 1.126 -3.794 17.081 1.00 0.00 O ATOM 201 NE2 GLN A 14 3.266 -3.438 17.661 1.00 0.00 N ATOM 0 H GLN A 14 1.830 -7.582 13.922 1.00 0.00 H new ATOM 0 HA GLN A 14 0.341 -5.508 15.321 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.122 -5.909 14.253 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.553 -4.265 14.462 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.271 -6.240 16.723 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.826 -5.495 16.409 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.235 -3.750 17.606 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.030 -2.597 18.188 1.00 0.00 H new ATOM 210 N GLU A 15 0.593 -5.622 12.085 1.00 0.00 N ATOM 211 CA GLU A 15 0.143 -5.013 10.838 1.00 0.00 C ATOM 212 C GLU A 15 -1.327 -4.615 10.922 1.00 0.00 C ATOM 213 O GLU A 15 -1.709 -3.518 10.514 1.00 0.00 O ATOM 214 CB GLU A 15 0.357 -5.977 9.671 1.00 0.00 C ATOM 215 CG GLU A 15 -0.477 -7.244 9.767 1.00 0.00 C ATOM 216 CD GLU A 15 -0.003 -8.327 8.818 1.00 0.00 C ATOM 217 OE1 GLU A 15 1.226 -8.474 8.650 1.00 0.00 O ATOM 218 OE2 GLU A 15 -0.861 -9.029 8.243 1.00 0.00 O ATOM 0 H GLU A 15 0.992 -6.554 11.978 1.00 0.00 H new ATOM 0 HA GLU A 15 0.733 -4.112 10.670 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.118 -5.465 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.411 -6.249 9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.442 -7.621 10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.518 -7.006 9.550 1.00 0.00 H new ATOM 225 N GLU A 16 -2.149 -5.516 11.451 1.00 0.00 N ATOM 226 CA GLU A 16 -3.580 -5.261 11.587 1.00 0.00 C ATOM 227 C GLU A 16 -3.835 -3.998 12.405 1.00 0.00 C ATOM 228 O GLU A 16 -4.698 -3.190 12.065 1.00 0.00 O ATOM 229 CB GLU A 16 -4.272 -6.458 12.244 1.00 0.00 C ATOM 230 CG GLU A 16 -4.832 -7.460 11.245 1.00 0.00 C ATOM 231 CD GLU A 16 -3.760 -8.062 10.359 1.00 0.00 C ATOM 232 OE1 GLU A 16 -2.989 -8.911 10.854 1.00 0.00 O ATOM 233 OE2 GLU A 16 -3.691 -7.685 9.171 1.00 0.00 O ATOM 0 H GLU A 16 -1.849 -6.429 11.793 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.993 -5.113 10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.561 -6.966 12.896 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.082 -6.096 12.877 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.343 -8.258 11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.579 -6.968 10.622 1.00 0.00 H new ATOM 240 N LYS A 17 -3.079 -3.838 13.486 1.00 0.00 N ATOM 241 CA LYS A 17 -3.223 -2.673 14.352 1.00 0.00 C ATOM 242 C LYS A 17 -2.534 -1.453 13.746 1.00 0.00 C ATOM 243 O LYS A 17 -2.938 -0.316 13.988 1.00 0.00 O ATOM 244 CB LYS A 17 -2.642 -2.966 15.737 1.00 0.00 C ATOM 245 CG LYS A 17 -3.446 -2.360 16.876 1.00 0.00 C ATOM 246 CD LYS A 17 -3.230 -3.118 18.175 1.00 0.00 C ATOM 247 CE LYS A 17 -4.333 -2.829 19.180 1.00 0.00 C ATOM 248 NZ LYS A 17 -3.805 -2.717 20.567 1.00 0.00 N ATOM 0 H LYS A 17 -2.361 -4.499 13.783 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.286 -2.455 14.450 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.586 -4.046 15.877 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.621 -2.586 15.781 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.160 -1.317 17.010 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.505 -2.369 16.620 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.194 -4.188 17.971 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.266 -2.842 18.602 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.838 -1.902 18.908 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.079 -3.623 19.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.588 -2.520 21.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.345 -3.610 20.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.112 -1.943 20.613 1.00 0.00 H new ATOM 262 N ALA A 18 -1.493 -1.698 12.957 1.00 0.00 N ATOM 263 CA ALA A 18 -0.749 -0.620 12.318 1.00 0.00 C ATOM 264 C ALA A 18 -1.618 0.127 11.312 1.00 0.00 C ATOM 265 O ALA A 18 -1.496 1.342 11.152 1.00 0.00 O ATOM 266 CB ALA A 18 0.496 -1.170 11.637 1.00 0.00 C ATOM 0 H ALA A 18 -1.146 -2.633 12.745 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.446 0.086 13.091 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.042 -0.354 11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.134 -1.652 12.378 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.205 -1.899 10.880 1.00 0.00 H new ATOM 272 N LYS A 19 -2.496 -0.607 10.637 1.00 0.00 N ATOM 273 CA LYS A 19 -3.386 -0.015 9.646 1.00 0.00 C ATOM 274 C LYS A 19 -4.305 1.021 10.289 1.00 0.00 C ATOM 275 O LYS A 19 -4.413 2.150 9.813 1.00 0.00 O ATOM 276 CB LYS A 19 -4.221 -1.101 8.965 1.00 0.00 C ATOM 277 CG LYS A 19 -4.932 -0.624 7.709 1.00 0.00 C ATOM 278 CD LYS A 19 -6.227 -1.386 7.479 1.00 0.00 C ATOM 279 CE LYS A 19 -5.973 -2.711 6.778 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.007 -3.726 7.120 1.00 0.00 N ATOM 0 H LYS A 19 -2.610 -1.613 10.758 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.772 0.485 8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.573 -1.939 8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.962 -1.475 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.146 0.442 7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.276 -0.751 6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.719 -1.567 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.906 -0.780 6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.960 -2.555 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.989 -3.087 7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.799 -4.615 6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.002 -3.894 8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.944 -3.379 6.831 1.00 0.00 H new ATOM 294 N ALA A 20 -4.965 0.626 11.373 1.00 0.00 N ATOM 295 CA ALA A 20 -5.875 1.519 12.079 1.00 0.00 C ATOM 296 C ALA A 20 -5.131 2.719 12.654 1.00 0.00 C ATOM 297 O ALA A 20 -5.559 3.862 12.494 1.00 0.00 O ATOM 298 CB ALA A 20 -6.599 0.766 13.186 1.00 0.00 C ATOM 0 H ALA A 20 -4.886 -0.306 11.781 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.610 1.889 11.364 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.276 1.445 13.705 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.170 -0.056 12.754 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.870 0.369 13.893 1.00 0.00 H new ATOM 304 N ASN A 21 -4.013 2.453 13.322 1.00 0.00 N ATOM 305 CA ASN A 21 -3.209 3.512 13.918 1.00 0.00 C ATOM 306 C ASN A 21 -2.740 4.504 12.857 1.00 0.00 C ATOM 307 O ASN A 21 -2.688 5.709 13.099 1.00 0.00 O ATOM 308 CB ASN A 21 -2.001 2.919 14.645 1.00 0.00 C ATOM 309 CG ASN A 21 -1.653 3.680 15.908 1.00 0.00 C ATOM 310 OD1 ASN A 21 -2.393 3.643 16.892 1.00 0.00 O ATOM 311 ND2 ASN A 21 -0.524 4.378 15.889 1.00 0.00 N ATOM 0 H ASN A 21 -3.644 1.513 13.464 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.833 4.043 14.637 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.207 1.879 14.897 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.141 2.921 13.975 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.240 4.911 16.711 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.060 4.381 15.053 1.00 0.00 H new ATOM 318 N LEU A 22 -2.403 3.986 11.680 1.00 0.00 N ATOM 319 CA LEU A 22 -1.939 4.825 10.581 1.00 0.00 C ATOM 320 C LEU A 22 -3.109 5.529 9.904 1.00 0.00 C ATOM 321 O LEU A 22 -3.121 6.754 9.778 1.00 0.00 O ATOM 322 CB LEU A 22 -1.175 3.982 9.556 1.00 0.00 C ATOM 323 CG LEU A 22 -0.687 4.748 8.325 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.397 5.742 8.710 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.175 3.781 7.267 1.00 0.00 C ATOM 0 H LEU A 22 -2.443 2.990 11.463 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.270 5.582 10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.314 3.530 10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.819 3.166 9.226 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.527 5.303 7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.732 6.277 7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.002 6.453 9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.239 5.209 9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.169 4.341 6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.653 3.200 7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.979 3.108 6.970 1.00 0.00 H new ATOM 337 N GLU A 23 -4.094 4.748 9.467 1.00 0.00 N ATOM 338 CA GLU A 23 -5.270 5.296 8.799 1.00 0.00 C ATOM 339 C GLU A 23 -5.898 6.417 9.622 1.00 0.00 C ATOM 340 O GLU A 23 -6.488 7.348 9.073 1.00 0.00 O ATOM 341 CB GLU A 23 -6.301 4.194 8.550 1.00 0.00 C ATOM 342 CG GLU A 23 -7.178 4.445 7.334 1.00 0.00 C ATOM 343 CD GLU A 23 -8.474 3.659 7.377 1.00 0.00 C ATOM 344 OE1 GLU A 23 -9.259 3.861 8.327 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.703 2.841 6.461 1.00 0.00 O ATOM 0 H GLU A 23 -4.100 3.733 9.564 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.949 5.710 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.782 3.244 8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.935 4.096 9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.405 5.509 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.626 4.180 6.432 1.00 0.00 H new ATOM 352 N LYS A 24 -5.767 6.324 10.941 1.00 0.00 N ATOM 353 CA LYS A 24 -6.320 7.333 11.835 1.00 0.00 C ATOM 354 C LYS A 24 -5.466 8.595 11.819 1.00 0.00 C ATOM 355 O LYS A 24 -5.987 9.708 11.751 1.00 0.00 O ATOM 356 CB LYS A 24 -6.416 6.782 13.261 1.00 0.00 C ATOM 357 CG LYS A 24 -7.820 6.341 13.647 1.00 0.00 C ATOM 358 CD LYS A 24 -8.273 6.984 14.949 1.00 0.00 C ATOM 359 CE LYS A 24 -8.399 8.492 14.809 1.00 0.00 C ATOM 360 NZ LYS A 24 -8.351 9.178 16.130 1.00 0.00 N ATOM 0 H LYS A 24 -5.283 5.561 11.414 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.320 7.588 11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.737 5.935 13.361 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.078 7.546 13.961 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.516 6.603 12.850 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.846 5.256 13.749 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.233 6.564 15.249 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.561 6.749 15.740 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.594 8.866 14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.337 8.733 14.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.440 10.205 15.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.134 8.840 16.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.446 8.969 16.597 1.00 0.00 H new ATOM 374 N ARG A 25 -4.151 8.415 11.878 1.00 0.00 N ATOM 375 CA ARG A 25 -3.224 9.539 11.869 1.00 0.00 C ATOM 376 C ARG A 25 -3.129 10.158 10.476 1.00 0.00 C ATOM 377 O ARG A 25 -2.848 11.347 10.336 1.00 0.00 O ATOM 378 CB ARG A 25 -1.841 9.082 12.336 1.00 0.00 C ATOM 379 CG ARG A 25 -0.840 10.215 12.495 1.00 0.00 C ATOM 380 CD ARG A 25 -0.414 10.387 13.946 1.00 0.00 C ATOM 381 NE ARG A 25 0.591 9.403 14.340 1.00 0.00 N ATOM 382 CZ ARG A 25 0.846 9.067 15.603 1.00 0.00 C ATOM 383 NH1 ARG A 25 0.175 9.634 16.598 1.00 0.00 N ATOM 384 NH2 ARG A 25 1.775 8.159 15.871 1.00 0.00 N ATOM 0 H ARG A 25 -3.703 7.500 11.933 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.601 10.298 12.555 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.943 8.564 13.289 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.447 8.360 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.037 10.016 11.879 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.280 11.144 12.132 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.015 11.391 14.090 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.286 10.294 14.594 1.00 0.00 H new ATOM 0 HE ARG A 25 1.129 8.946 13.604 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.541 10.332 16.398 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.376 9.372 17.563 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.293 7.719 15.110 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.972 7.901 16.838 1.00 0.00 H new ATOM 398 N ILE A 26 -3.372 9.346 9.452 1.00 0.00 N ATOM 399 CA ILE A 26 -3.319 9.819 8.074 1.00 0.00 C ATOM 400 C ILE A 26 -4.656 10.426 7.643 1.00 0.00 C ATOM 401 O ILE A 26 -4.728 11.135 6.641 1.00 0.00 O ATOM 402 CB ILE A 26 -2.942 8.679 7.104 1.00 0.00 C ATOM 403 CG1 ILE A 26 -1.587 8.081 7.489 1.00 0.00 C ATOM 404 CG2 ILE A 26 -2.913 9.183 5.667 1.00 0.00 C ATOM 405 CD1 ILE A 26 -0.429 9.038 7.310 1.00 0.00 C ATOM 0 H ILE A 26 -3.607 8.358 9.551 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.549 10.590 8.033 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.700 7.899 7.177 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.624 7.759 8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.408 7.191 6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.645 8.364 4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.897 9.565 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.176 9.981 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.498 8.546 7.602 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.365 9.341 6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.585 9.918 7.934 1.00 0.00 H new ATOM 417 N LYS A 27 -5.710 10.141 8.403 1.00 0.00 N ATOM 418 CA LYS A 27 -7.038 10.658 8.093 1.00 0.00 C ATOM 419 C LYS A 27 -7.453 11.740 9.086 1.00 0.00 C ATOM 420 O LYS A 27 -8.209 12.649 8.746 1.00 0.00 O ATOM 421 CB LYS A 27 -8.064 9.523 8.103 1.00 0.00 C ATOM 422 CG LYS A 27 -9.397 9.903 7.480 1.00 0.00 C ATOM 423 CD LYS A 27 -10.131 8.681 6.951 1.00 0.00 C ATOM 424 CE LYS A 27 -9.970 8.541 5.446 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.215 8.043 4.798 1.00 0.00 N ATOM 0 H LYS A 27 -5.669 9.555 9.237 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.001 11.101 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.653 8.668 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.231 9.204 9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.016 10.408 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.232 10.610 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.751 7.786 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.190 8.756 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.700 9.507 5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.150 7.856 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.064 7.961 3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.460 7.110 5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.992 8.709 4.981 1.00 0.00 H new ATOM 439 N ALA A 28 -6.957 11.634 10.315 1.00 0.00 N ATOM 440 CA ALA A 28 -7.282 12.603 11.354 1.00 0.00 C ATOM 441 C ALA A 28 -6.468 13.881 11.189 1.00 0.00 C ATOM 442 O ALA A 28 -6.999 14.986 11.308 1.00 0.00 O ATOM 443 CB ALA A 28 -7.046 12.003 12.732 1.00 0.00 C ATOM 0 H ALA A 28 -6.330 10.888 10.615 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.337 12.858 11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.293 12.739 13.497 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.676 11.123 12.858 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.999 11.716 12.830 1.00 0.00 H new ATOM 449 N PHE A 29 -5.179 13.726 10.913 1.00 0.00 N ATOM 450 CA PHE A 29 -4.294 14.871 10.731 1.00 0.00 C ATOM 451 C PHE A 29 -4.441 15.471 9.332 1.00 0.00 C ATOM 452 O PHE A 29 -3.816 16.483 9.015 1.00 0.00 O ATOM 453 CB PHE A 29 -2.841 14.464 10.976 1.00 0.00 C ATOM 454 CG PHE A 29 -2.516 14.257 12.429 1.00 0.00 C ATOM 455 CD1 PHE A 29 -2.089 15.317 13.213 1.00 0.00 C ATOM 456 CD2 PHE A 29 -2.638 13.005 13.012 1.00 0.00 C ATOM 457 CE1 PHE A 29 -1.791 15.133 14.549 1.00 0.00 C ATOM 458 CE2 PHE A 29 -2.341 12.816 14.348 1.00 0.00 C ATOM 459 CZ PHE A 29 -1.916 13.880 15.117 1.00 0.00 C ATOM 0 H PHE A 29 -4.723 12.819 10.810 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.580 15.631 11.458 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.632 13.544 10.430 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.183 15.232 10.570 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.988 16.299 12.774 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.969 12.168 12.415 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.461 15.968 15.149 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.441 11.836 14.790 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.682 13.733 16.161 1.00 0.00 H new ATOM 469 N GLY A 30 -5.273 14.847 8.500 1.00 0.00 N ATOM 470 CA GLY A 30 -5.482 15.343 7.153 1.00 0.00 C ATOM 471 C GLY A 30 -4.328 15.021 6.224 1.00 0.00 C ATOM 472 O GLY A 30 -3.506 15.886 5.923 1.00 0.00 O ATOM 0 H GLY A 30 -5.804 14.009 8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.398 14.912 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.625 16.423 7.186 1.00 0.00 H new ATOM 476 N LEU A 31 -4.268 13.774 5.766 1.00 0.00 N ATOM 477 CA LEU A 31 -3.208 13.346 4.862 1.00 0.00 C ATOM 478 C LEU A 31 -3.773 12.523 3.710 1.00 0.00 C ATOM 479 O LEU A 31 -3.104 11.635 3.179 1.00 0.00 O ATOM 480 CB LEU A 31 -2.157 12.529 5.614 1.00 0.00 C ATOM 481 CG LEU A 31 -1.033 13.345 6.257 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.461 14.353 5.270 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.534 14.046 7.509 1.00 0.00 C ATOM 0 H LEU A 31 -4.940 13.045 6.006 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.738 14.240 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.657 11.953 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.714 11.813 4.922 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.234 12.660 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.336 14.921 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.060 13.827 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.249 15.034 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.722 14.622 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.353 14.716 7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.887 13.304 8.225 1.00 0.00 H new ATOM 495 N GLN A 32 -5.006 12.830 3.322 1.00 0.00 N ATOM 496 CA GLN A 32 -5.658 12.124 2.227 1.00 0.00 C ATOM 497 C GLN A 32 -5.142 12.604 0.870 1.00 0.00 C ATOM 498 O GLN A 32 -5.655 12.199 -0.173 1.00 0.00 O ATOM 499 CB GLN A 32 -7.175 12.315 2.305 1.00 0.00 C ATOM 500 CG GLN A 32 -7.825 11.545 3.445 1.00 0.00 C ATOM 501 CD GLN A 32 -9.181 12.104 3.829 1.00 0.00 C ATOM 502 OE1 GLN A 32 -10.126 12.066 3.039 1.00 0.00 O ATOM 503 NE2 GLN A 32 -9.286 12.625 5.045 1.00 0.00 N ATOM 0 H GLN A 32 -5.573 13.562 3.749 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.422 11.064 2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.394 13.376 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.622 11.999 1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.936 10.500 3.156 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.168 11.567 4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.478 12.636 5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.175 13.015 5.358 1.00 0.00 H new ATOM 512 N ASP A 33 -4.123 13.464 0.884 1.00 0.00 N ATOM 513 CA ASP A 33 -3.548 13.983 -0.351 1.00 0.00 C ATOM 514 C ASP A 33 -2.439 13.065 -0.858 1.00 0.00 C ATOM 515 O ASP A 33 -2.145 13.034 -2.053 1.00 0.00 O ATOM 516 CB ASP A 33 -3.000 15.395 -0.129 1.00 0.00 C ATOM 517 CG ASP A 33 -3.853 16.457 -0.797 1.00 0.00 C ATOM 518 OD1 ASP A 33 -5.059 16.208 -1.001 1.00 0.00 O ATOM 519 OD2 ASP A 33 -3.312 17.537 -1.118 1.00 0.00 O ATOM 0 H ASP A 33 -3.682 13.813 1.735 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.335 14.023 -1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.945 15.597 0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.983 15.452 -0.517 1.00 0.00 H new ATOM 524 N LYS A 34 -1.828 12.319 0.057 1.00 0.00 N ATOM 525 CA LYS A 34 -0.754 11.401 -0.301 1.00 0.00 C ATOM 526 C LYS A 34 -1.237 9.955 -0.254 1.00 0.00 C ATOM 527 O LYS A 34 -1.176 9.238 -1.251 1.00 0.00 O ATOM 528 CB LYS A 34 0.438 11.586 0.642 1.00 0.00 C ATOM 529 CG LYS A 34 1.113 12.942 0.505 1.00 0.00 C ATOM 530 CD LYS A 34 1.878 13.056 -0.805 1.00 0.00 C ATOM 531 CE LYS A 34 1.511 14.324 -1.558 1.00 0.00 C ATOM 532 NZ LYS A 34 0.216 14.185 -2.281 1.00 0.00 N ATOM 0 H LYS A 34 -2.058 12.333 1.051 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.440 11.626 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.101 11.459 1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.171 10.803 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.362 13.730 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.796 13.095 1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.949 13.049 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.665 12.187 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.448 15.157 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.300 14.565 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.272 15.103 -2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.395 13.870 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.380 13.485 -1.795 1.00 0.00 H new ATOM 546 N ILE A 35 -1.725 9.535 0.910 1.00 0.00 N ATOM 547 CA ILE A 35 -2.224 8.176 1.081 1.00 0.00 C ATOM 548 C ILE A 35 -3.653 8.055 0.565 1.00 0.00 C ATOM 549 O ILE A 35 -4.583 8.611 1.151 1.00 0.00 O ATOM 550 CB ILE A 35 -2.184 7.741 2.559 1.00 0.00 C ATOM 551 CG1 ILE A 35 -0.845 8.123 3.194 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.424 6.242 2.677 1.00 0.00 C ATOM 553 CD1 ILE A 35 0.354 7.548 2.472 1.00 0.00 C ATOM 0 H ILE A 35 -1.785 10.116 1.746 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.571 7.521 0.504 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.978 8.261 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.759 9.209 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.833 7.782 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.393 5.950 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.401 5.996 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.650 5.705 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.268 7.860 2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.292 6.460 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.367 7.909 1.444 1.00 0.00 H new ATOM 565 N PHE A 36 -3.823 7.333 -0.536 1.00 0.00 N ATOM 566 CA PHE A 36 -5.143 7.150 -1.133 1.00 0.00 C ATOM 567 C PHE A 36 -5.728 5.789 -0.772 1.00 0.00 C ATOM 568 O PHE A 36 -6.854 5.700 -0.282 1.00 0.00 O ATOM 569 CB PHE A 36 -5.066 7.291 -2.654 1.00 0.00 C ATOM 570 CG PHE A 36 -4.234 8.458 -3.109 1.00 0.00 C ATOM 571 CD1 PHE A 36 -4.679 9.757 -2.927 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.007 8.251 -3.717 1.00 0.00 C ATOM 573 CE1 PHE A 36 -3.916 10.830 -3.343 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.239 9.319 -4.136 1.00 0.00 C ATOM 575 CZ PHE A 36 -2.693 10.610 -3.950 1.00 0.00 C ATOM 0 H PHE A 36 -3.066 6.865 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.798 7.924 -0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.652 6.375 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.075 7.398 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.634 9.933 -2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.647 7.244 -3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.273 11.838 -3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.284 9.145 -4.609 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.094 11.447 -4.278 1.00 0.00 H new ATOM 585 N GLN A 37 -4.967 4.730 -1.028 1.00 0.00 N ATOM 586 CA GLN A 37 -5.429 3.376 -0.736 1.00 0.00 C ATOM 587 C GLN A 37 -4.559 2.700 0.317 1.00 0.00 C ATOM 588 O GLN A 37 -3.401 3.067 0.517 1.00 0.00 O ATOM 589 CB GLN A 37 -5.443 2.534 -2.013 1.00 0.00 C ATOM 590 CG GLN A 37 -6.145 3.207 -3.181 1.00 0.00 C ATOM 591 CD GLN A 37 -7.166 2.305 -3.846 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.850 1.841 -5.050 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -8.226 2.029 -3.286 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.033 4.781 -1.435 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.441 3.453 -0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.416 2.307 -2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.933 1.583 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.640 4.112 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.403 3.515 -3.918 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.428 2.408 -2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.903 1.421 -3.747 1.00 0.00 H new ATOM 602 N VAL A 38 -5.131 1.700 0.981 1.00 0.00 N ATOM 603 CA VAL A 38 -4.427 0.950 2.012 1.00 0.00 C ATOM 604 C VAL A 38 -4.921 -0.494 2.046 1.00 0.00 C ATOM 605 O VAL A 38 -5.574 -0.918 2.999 1.00 0.00 O ATOM 606 CB VAL A 38 -4.616 1.585 3.403 1.00 0.00 C ATOM 607 CG1 VAL A 38 -3.803 2.865 3.522 1.00 0.00 C ATOM 608 CG2 VAL A 38 -6.088 1.855 3.670 1.00 0.00 C ATOM 0 H VAL A 38 -6.089 1.389 0.820 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.366 0.971 1.764 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.256 0.882 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.950 3.299 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.746 2.640 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.130 3.575 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.202 2.303 4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.476 2.538 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.643 0.918 3.631 1.00 0.00 H new ATOM 618 N LEU A 39 -4.615 -1.236 0.986 1.00 0.00 N ATOM 619 CA LEU A 39 -5.035 -2.628 0.873 1.00 0.00 C ATOM 620 C LEU A 39 -4.120 -3.552 1.668 1.00 0.00 C ATOM 621 O LEU A 39 -2.965 -3.224 1.937 1.00 0.00 O ATOM 622 CB LEU A 39 -5.052 -3.053 -0.598 1.00 0.00 C ATOM 623 CG LEU A 39 -6.400 -2.899 -1.305 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.462 -3.742 -0.618 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.819 -1.435 -1.345 1.00 0.00 C ATOM 0 H LEU A 39 -4.076 -0.894 0.190 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.040 -2.709 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.308 -2.467 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.744 -4.096 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.293 -3.252 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.414 -3.620 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.167 -4.791 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.568 -3.421 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.780 -1.345 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.908 -1.054 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.069 -0.857 -1.885 1.00 0.00 H new ATOM 637 N ILE A 40 -4.648 -4.717 2.032 1.00 0.00 N ATOM 638 CA ILE A 40 -3.888 -5.703 2.787 1.00 0.00 C ATOM 639 C ILE A 40 -3.648 -6.959 1.948 1.00 0.00 C ATOM 640 O ILE A 40 -4.576 -7.490 1.341 1.00 0.00 O ATOM 641 CB ILE A 40 -4.610 -6.093 4.094 1.00 0.00 C ATOM 642 CG1 ILE A 40 -3.733 -7.028 4.931 1.00 0.00 C ATOM 643 CG2 ILE A 40 -5.952 -6.745 3.788 1.00 0.00 C ATOM 644 CD1 ILE A 40 -2.691 -6.304 5.753 1.00 0.00 C ATOM 0 H ILE A 40 -5.603 -5.000 1.814 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.931 -5.247 3.040 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.794 -5.187 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.370 -7.610 5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.234 -7.735 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.447 -7.014 4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.578 -6.046 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.793 -7.643 3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.107 -7.029 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.030 -5.744 5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.183 -5.617 6.441 1.00 0.00 H new ATOM 656 N PRO A 41 -2.395 -7.448 1.897 1.00 0.00 N ATOM 657 CA PRO A 41 -2.050 -8.644 1.119 1.00 0.00 C ATOM 658 C PRO A 41 -2.668 -9.914 1.694 1.00 0.00 C ATOM 659 O PRO A 41 -1.977 -10.735 2.300 1.00 0.00 O ATOM 660 CB PRO A 41 -0.524 -8.703 1.215 1.00 0.00 C ATOM 661 CG PRO A 41 -0.192 -7.963 2.463 1.00 0.00 C ATOM 662 CD PRO A 41 -1.223 -6.878 2.585 1.00 0.00 C ATOM 0 HA PRO A 41 -2.426 -8.584 0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.170 -9.733 1.260 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.055 -8.242 0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.218 -8.625 3.328 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.813 -7.543 2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.442 -6.646 3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.891 -5.952 2.115 1.00 0.00 H new ATOM 670 N THR A 42 -3.974 -10.071 1.499 1.00 0.00 N ATOM 671 CA THR A 42 -4.686 -11.242 1.997 1.00 0.00 C ATOM 672 C THR A 42 -5.563 -11.854 0.909 1.00 0.00 C ATOM 673 O THR A 42 -6.284 -11.146 0.208 1.00 0.00 O ATOM 674 CB THR A 42 -5.543 -10.866 3.207 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.508 -9.891 2.853 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.737 -10.316 4.364 1.00 0.00 C ATOM 0 H THR A 42 -4.560 -9.402 1.000 1.00 0.00 H new ATOM 0 HA THR A 42 -3.946 -11.983 2.299 1.00 0.00 H new ATOM 0 HB THR A 42 -6.017 -11.794 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.641 -9.900 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.406 -10.070 5.189 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.016 -11.064 4.693 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.208 -9.418 4.045 1.00 0.00 H new ATOM 948 N LYS A 59 -6.495 -15.758 3.552 1.00 0.00 N ATOM 949 CA LYS A 59 -5.190 -16.395 3.419 1.00 0.00 C ATOM 950 C LYS A 59 -4.124 -15.370 3.042 1.00 0.00 C ATOM 951 O LYS A 59 -4.005 -14.983 1.879 1.00 0.00 O ATOM 952 CB LYS A 59 -5.252 -17.509 2.369 1.00 0.00 C ATOM 953 CG LYS A 59 -3.903 -18.143 2.064 1.00 0.00 C ATOM 954 CD LYS A 59 -3.404 -18.979 3.232 1.00 0.00 C ATOM 955 CE LYS A 59 -2.525 -20.128 2.762 1.00 0.00 C ATOM 956 NZ LYS A 59 -3.197 -21.446 2.927 1.00 0.00 N ATOM 0 HA LYS A 59 -4.919 -16.831 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.937 -18.283 2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.669 -17.103 1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.987 -18.770 1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.176 -17.363 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.841 -18.347 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.255 -19.374 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.266 -19.981 1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.591 -20.124 3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.565 -22.202 2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.421 -21.598 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.075 -21.460 2.370 1.00 0.00 H new ATOM 970 N LYS A 60 -3.352 -14.931 4.032 1.00 0.00 N ATOM 971 CA LYS A 60 -2.298 -13.946 3.807 1.00 0.00 C ATOM 972 C LYS A 60 -1.350 -14.395 2.699 1.00 0.00 C ATOM 973 O LYS A 60 -0.719 -15.447 2.795 1.00 0.00 O ATOM 974 CB LYS A 60 -1.514 -13.706 5.098 1.00 0.00 C ATOM 975 CG LYS A 60 -2.260 -12.854 6.113 1.00 0.00 C ATOM 976 CD LYS A 60 -2.463 -13.595 7.425 1.00 0.00 C ATOM 977 CE LYS A 60 -2.605 -12.632 8.593 1.00 0.00 C ATOM 978 NZ LYS A 60 -4.031 -12.395 8.946 1.00 0.00 N ATOM 0 H LYS A 60 -3.437 -15.242 5.000 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.771 -13.015 3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.272 -14.668 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.568 -13.222 4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.704 -11.935 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.228 -12.565 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.354 -14.220 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.619 -14.261 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.078 -13.032 9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.131 -11.683 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.085 -11.733 9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.529 -11.990 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.477 -13.296 9.211 1.00 0.00 H new ATOM 992 N LEU A 61 -1.253 -13.586 1.647 1.00 0.00 N ATOM 993 CA LEU A 61 -0.383 -13.897 0.520 1.00 0.00 C ATOM 994 C LEU A 61 1.012 -13.313 0.731 1.00 0.00 C ATOM 995 O LEU A 61 2.017 -13.956 0.426 1.00 0.00 O ATOM 996 CB LEU A 61 -0.982 -13.358 -0.780 1.00 0.00 C ATOM 997 CG LEU A 61 -2.267 -14.050 -1.235 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.700 -13.528 -2.596 1.00 0.00 C ATOM 999 CD2 LEU A 61 -2.076 -15.558 -1.279 1.00 0.00 C ATOM 0 H LEU A 61 -1.767 -12.710 1.553 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.297 -14.981 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.185 -12.294 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.238 -13.450 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.052 -13.824 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.616 -14.032 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.879 -12.455 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.915 -13.723 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.001 -16.033 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.277 -15.803 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.813 -15.921 -0.285 1.00 0.00 H new ATOM 1011 N PHE A 62 1.064 -12.093 1.257 1.00 0.00 N ATOM 1012 CA PHE A 62 2.337 -11.425 1.510 1.00 0.00 C ATOM 1013 C PHE A 62 2.460 -11.030 2.981 1.00 0.00 C ATOM 1014 O PHE A 62 2.300 -9.862 3.337 1.00 0.00 O ATOM 1015 CB PHE A 62 2.477 -10.188 0.621 1.00 0.00 C ATOM 1016 CG PHE A 62 2.202 -10.458 -0.832 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.906 -10.422 -1.325 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.238 -10.744 -1.704 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.653 -10.668 -2.661 1.00 0.00 C ATOM 1020 CE2 PHE A 62 2.990 -10.992 -3.041 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.695 -10.953 -3.520 1.00 0.00 C ATOM 0 H PHE A 62 0.242 -11.548 1.516 1.00 0.00 H new ATOM 0 HA PHE A 62 3.139 -12.123 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.792 -9.417 0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.486 -9.789 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.086 -10.199 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.253 -10.774 -1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.360 -10.637 -3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.808 -11.216 -3.710 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.498 -11.145 -4.564 1.00 0.00 H new ATOM 1031 N PRO A 63 2.748 -12.008 3.862 1.00 0.00 N ATOM 1032 CA PRO A 63 2.890 -11.760 5.301 1.00 0.00 C ATOM 1033 C PRO A 63 3.940 -10.700 5.609 1.00 0.00 C ATOM 1034 O PRO A 63 4.989 -10.643 4.966 1.00 0.00 O ATOM 1035 CB PRO A 63 3.326 -13.118 5.861 1.00 0.00 C ATOM 1036 CG PRO A 63 2.862 -14.114 4.857 1.00 0.00 C ATOM 1037 CD PRO A 63 2.951 -13.428 3.524 1.00 0.00 C ATOM 0 HA PRO A 63 1.965 -11.381 5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.407 -13.163 5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.879 -13.304 6.838 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.484 -15.009 4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.840 -14.432 5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.918 -13.595 3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.190 -13.790 2.833 1.00 0.00 H new ATOM 1045 N GLY A 64 3.653 -9.862 6.599 1.00 0.00 N ATOM 1046 CA GLY A 64 4.583 -8.815 6.982 1.00 0.00 C ATOM 1047 C GLY A 64 4.692 -7.719 5.940 1.00 0.00 C ATOM 1048 O GLY A 64 5.672 -6.976 5.916 1.00 0.00 O ATOM 0 H GLY A 64 2.791 -9.889 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.264 -8.380 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.568 -9.252 7.148 1.00 0.00 H new ATOM 1052 N TYR A 65 3.687 -7.614 5.075 1.00 0.00 N ATOM 1053 CA TYR A 65 3.683 -6.596 4.031 1.00 0.00 C ATOM 1054 C TYR A 65 2.354 -5.849 4.002 1.00 0.00 C ATOM 1055 O TYR A 65 1.297 -6.430 4.248 1.00 0.00 O ATOM 1056 CB TYR A 65 3.949 -7.232 2.665 1.00 0.00 C ATOM 1057 CG TYR A 65 5.326 -7.844 2.534 1.00 0.00 C ATOM 1058 CD1 TYR A 65 6.436 -7.056 2.255 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.514 -9.212 2.686 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.694 -7.614 2.132 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.769 -9.777 2.565 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.855 -8.974 2.288 1.00 0.00 C ATOM 1063 OH TYR A 65 9.106 -9.533 2.166 1.00 0.00 O ATOM 0 H TYR A 65 2.867 -8.220 5.077 1.00 0.00 H new ATOM 0 HA TYR A 65 4.477 -5.883 4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.200 -8.003 2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.823 -6.475 1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.313 -5.990 2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.665 -9.844 2.902 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.547 -6.988 1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.899 -10.842 2.687 1.00 0.00 H new ATOM 0 HH TYR A 65 9.047 -10.501 2.305 1.00 0.00 H new ATOM 1073 N LEU A 66 2.416 -4.558 3.693 1.00 0.00 N ATOM 1074 CA LEU A 66 1.218 -3.729 3.622 1.00 0.00 C ATOM 1075 C LEU A 66 1.236 -2.870 2.362 1.00 0.00 C ATOM 1076 O LEU A 66 2.162 -2.092 2.146 1.00 0.00 O ATOM 1077 CB LEU A 66 1.110 -2.839 4.864 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.076 -3.145 5.778 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.104 -2.472 7.130 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.378 -2.700 5.128 1.00 0.00 C ATOM 0 H LEU A 66 3.284 -4.063 3.488 1.00 0.00 H new ATOM 0 HA LEU A 66 0.349 -4.385 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.029 -2.935 5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.043 -1.800 4.543 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.121 -4.223 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.750 -2.701 7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.016 -2.839 7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.175 -1.393 6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.212 -2.925 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.343 -1.627 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.513 -3.229 4.184 1.00 0.00 H new ATOM 1092 N PHE A 67 0.208 -3.020 1.533 1.00 0.00 N ATOM 1093 CA PHE A 67 0.112 -2.260 0.293 1.00 0.00 C ATOM 1094 C PHE A 67 -0.511 -0.889 0.535 1.00 0.00 C ATOM 1095 O PHE A 67 -1.679 -0.784 0.911 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.711 -3.030 -0.743 1.00 0.00 C ATOM 1097 CG PHE A 67 -0.186 -4.409 -1.035 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.176 -4.675 -0.996 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -1.056 -5.439 -1.352 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.656 -5.944 -1.268 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.582 -6.708 -1.623 1.00 0.00 C ATOM 1102 CZ PHE A 67 0.776 -6.960 -1.581 1.00 0.00 C ATOM 0 H PHE A 67 -0.569 -3.660 1.698 1.00 0.00 H new ATOM 0 HA PHE A 67 1.123 -2.116 -0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.739 -3.110 -0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.737 -2.458 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.868 -3.883 -0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.118 -5.248 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.718 -6.139 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.272 -7.502 -1.867 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.148 -7.951 -1.793 1.00 0.00 H new ATOM 1112 N ILE A 68 0.276 0.159 0.314 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.198 1.524 0.504 1.00 0.00 C ATOM 1114 C ILE A 68 -0.031 2.344 -0.770 1.00 0.00 C ATOM 1115 O ILE A 68 1.085 2.689 -1.155 1.00 0.00 O ATOM 1116 CB ILE A 68 0.552 2.230 1.652 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.718 1.288 2.848 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.185 3.496 2.065 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.160 0.935 3.139 1.00 0.00 C ATOM 0 H ILE A 68 1.245 0.088 0.003 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.256 1.456 0.759 1.00 0.00 H new ATOM 0 HB ILE A 68 1.545 2.508 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.280 1.753 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.158 0.372 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.356 3.984 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.250 4.173 1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.189 3.239 2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.204 0.265 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.596 0.441 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.720 1.844 3.359 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.148 2.654 -1.418 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.121 3.437 -2.647 1.00 0.00 C ATOM 1133 C GLN A 69 -0.968 4.919 -2.333 1.00 0.00 C ATOM 1134 O GLN A 69 -1.923 5.691 -2.438 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.395 3.200 -3.457 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.243 3.526 -4.931 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.569 3.807 -5.609 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.177 4.940 -5.280 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -4.044 3.013 -6.422 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.081 2.376 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.264 3.117 -3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.694 2.157 -3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.200 3.806 -3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.592 4.393 -5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.752 2.693 -5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.544 2.153 -6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.937 3.216 -6.870 1.00 0.00 H new ATOM 1148 N MET A 70 0.241 5.308 -1.941 1.00 0.00 N ATOM 1149 CA MET A 70 0.529 6.698 -1.603 1.00 0.00 C ATOM 1150 C MET A 70 1.023 7.471 -2.825 1.00 0.00 C ATOM 1151 O MET A 70 1.036 6.947 -3.939 1.00 0.00 O ATOM 1152 CB MET A 70 1.564 6.772 -0.476 1.00 0.00 C ATOM 1153 CG MET A 70 2.851 6.022 -0.773 1.00 0.00 C ATOM 1154 SD MET A 70 4.042 6.128 0.575 1.00 0.00 S ATOM 1155 CE MET A 70 3.574 4.704 1.557 1.00 0.00 C ATOM 0 H MET A 70 1.039 4.679 -1.849 1.00 0.00 H new ATOM 0 HA MET A 70 -0.398 7.159 -1.261 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.801 7.818 -0.282 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.123 6.370 0.436 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.620 4.975 -0.967 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.300 6.423 -1.682 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.133 5.039 2.496 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.847 4.106 1.007 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.457 4.100 1.766 1.00 0.00 H new ATOM 1165 N ASP A 71 1.426 8.719 -2.605 1.00 0.00 N ATOM 1166 CA ASP A 71 1.922 9.566 -3.686 1.00 0.00 C ATOM 1167 C ASP A 71 3.307 10.115 -3.355 1.00 0.00 C ATOM 1168 O ASP A 71 3.450 11.272 -2.961 1.00 0.00 O ATOM 1169 CB ASP A 71 0.954 10.723 -3.940 1.00 0.00 C ATOM 1170 CG ASP A 71 0.983 11.195 -5.380 1.00 0.00 C ATOM 1171 OD1 ASP A 71 2.085 11.499 -5.883 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -0.097 11.263 -6.004 1.00 0.00 O ATOM 0 H ASP A 71 1.419 9.166 -1.688 1.00 0.00 H new ATOM 0 HA ASP A 71 1.996 8.956 -4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.058 10.409 -3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.206 11.555 -3.283 1.00 0.00 H new ATOM 1177 N LEU A 72 4.327 9.277 -3.518 1.00 0.00 N ATOM 1178 CA LEU A 72 5.700 9.682 -3.237 1.00 0.00 C ATOM 1179 C LEU A 72 6.403 10.135 -4.510 1.00 0.00 C ATOM 1180 O LEU A 72 7.066 11.173 -4.531 1.00 0.00 O ATOM 1181 CB LEU A 72 6.476 8.528 -2.598 1.00 0.00 C ATOM 1182 CG LEU A 72 6.050 8.168 -1.175 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.843 6.972 -0.667 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.229 9.361 -0.247 1.00 0.00 C ATOM 0 H LEU A 72 4.229 8.315 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 72 5.669 10.520 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.367 7.645 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.535 8.784 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 72 4.994 7.899 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.526 6.730 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.665 6.115 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.906 7.213 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.921 9.087 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.277 9.661 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.618 10.191 -0.600 1.00 0.00 H new ATOM 1245 N GLU A 77 11.460 15.586 -2.969 1.00 0.00 N ATOM 1246 CA GLU A 77 10.963 16.155 -1.721 1.00 0.00 C ATOM 1247 C GLU A 77 9.513 15.744 -1.474 1.00 0.00 C ATOM 1248 O GLU A 77 8.588 16.349 -2.015 1.00 0.00 O ATOM 1249 CB GLU A 77 11.072 17.680 -1.752 1.00 0.00 C ATOM 1250 CG GLU A 77 12.502 18.189 -1.666 1.00 0.00 C ATOM 1251 CD GLU A 77 13.131 18.393 -3.032 1.00 0.00 C ATOM 1252 OE1 GLU A 77 12.488 19.030 -3.892 1.00 0.00 O ATOM 1253 OE2 GLU A 77 14.266 17.916 -3.239 1.00 0.00 O ATOM 0 HA GLU A 77 11.576 15.769 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.618 18.050 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.497 18.094 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.516 19.132 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.102 17.480 -1.096 1.00 0.00 H new ATOM 1260 N PRO A 78 9.294 14.706 -0.648 1.00 0.00 N ATOM 1261 CA PRO A 78 7.949 14.219 -0.331 1.00 0.00 C ATOM 1262 C PRO A 78 7.210 15.144 0.630 1.00 0.00 C ATOM 1263 O PRO A 78 7.816 16.008 1.264 1.00 0.00 O ATOM 1264 CB PRO A 78 8.213 12.865 0.325 1.00 0.00 C ATOM 1265 CG PRO A 78 9.561 13.005 0.942 1.00 0.00 C ATOM 1266 CD PRO A 78 10.340 13.926 0.042 1.00 0.00 C ATOM 0 HA PRO A 78 7.314 14.164 -1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.456 12.633 1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.194 12.059 -0.408 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.488 13.415 1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.053 12.036 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.010 14.570 0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.956 13.369 -0.664 1.00 0.00 H new ATOM 1274 N ASN A 79 5.900 14.955 0.735 1.00 0.00 N ATOM 1275 CA ASN A 79 5.079 15.772 1.621 1.00 0.00 C ATOM 1276 C ASN A 79 5.231 15.321 3.071 1.00 0.00 C ATOM 1277 O ASN A 79 5.956 14.369 3.362 1.00 0.00 O ATOM 1278 CB ASN A 79 3.609 15.698 1.201 1.00 0.00 C ATOM 1279 CG ASN A 79 3.139 16.968 0.520 1.00 0.00 C ATOM 1280 OD1 ASN A 79 2.846 16.974 -0.675 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.064 18.054 1.281 1.00 0.00 N ATOM 0 H ASN A 79 5.383 14.244 0.218 1.00 0.00 H new ATOM 0 HA ASN A 79 5.419 16.805 1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.469 14.854 0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.992 15.510 2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.754 18.938 0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.317 18.004 2.268 1.00 0.00 H new ATOM 1288 N GLU A 80 4.543 16.012 3.974 1.00 0.00 N ATOM 1289 CA GLU A 80 4.600 15.683 5.394 1.00 0.00 C ATOM 1290 C GLU A 80 4.074 14.273 5.657 1.00 0.00 C ATOM 1291 O GLU A 80 4.346 13.687 6.704 1.00 0.00 O ATOM 1292 CB GLU A 80 3.794 16.698 6.205 1.00 0.00 C ATOM 1293 CG GLU A 80 2.307 16.687 5.889 1.00 0.00 C ATOM 1294 CD GLU A 80 1.632 18.005 6.212 1.00 0.00 C ATOM 1295 OE1 GLU A 80 2.125 19.053 5.744 1.00 0.00 O ATOM 1296 OE2 GLU A 80 0.613 17.989 6.932 1.00 0.00 O ATOM 0 H GLU A 80 3.940 16.803 3.748 1.00 0.00 H new ATOM 0 HA GLU A 80 5.644 15.721 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.933 16.494 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.189 17.696 6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.166 16.460 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.825 15.889 6.454 1.00 0.00 H new ATOM 1303 N ALA A 81 3.317 13.735 4.702 1.00 0.00 N ATOM 1304 CA ALA A 81 2.753 12.395 4.837 1.00 0.00 C ATOM 1305 C ALA A 81 3.826 11.374 5.200 1.00 0.00 C ATOM 1306 O ALA A 81 3.639 10.556 6.101 1.00 0.00 O ATOM 1307 CB ALA A 81 2.050 11.988 3.551 1.00 0.00 C ATOM 0 H ALA A 81 3.081 14.206 3.829 1.00 0.00 H new ATOM 0 HA ALA A 81 2.025 12.417 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.634 10.987 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.247 12.693 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.765 11.992 2.728 1.00 0.00 H new ATOM 1313 N TRP A 82 4.952 11.424 4.492 1.00 0.00 N ATOM 1314 CA TRP A 82 6.052 10.500 4.745 1.00 0.00 C ATOM 1315 C TRP A 82 6.551 10.631 6.179 1.00 0.00 C ATOM 1316 O TRP A 82 6.797 9.631 6.854 1.00 0.00 O ATOM 1317 CB TRP A 82 7.199 10.754 3.766 1.00 0.00 C ATOM 1318 CG TRP A 82 8.128 9.587 3.625 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.490 9.608 3.718 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.764 8.227 3.365 1.00 0.00 C ATOM 1321 NE1 TRP A 82 9.995 8.343 3.532 1.00 0.00 N ATOM 1322 CE2 TRP A 82 8.956 7.479 3.314 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.546 7.568 3.173 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 8.965 6.106 3.078 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.556 6.206 2.939 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.758 5.488 2.893 1.00 0.00 C ATOM 0 H TRP A 82 5.125 12.093 3.741 1.00 0.00 H new ATOM 0 HA TRP A 82 5.681 9.485 4.599 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.785 11.000 2.788 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.766 11.623 4.100 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.084 10.490 3.910 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.983 8.090 3.553 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.614 8.113 3.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.890 5.550 3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.621 5.686 2.789 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.732 4.424 2.708 1.00 0.00 H new ATOM 1337 N GLU A 83 6.696 11.868 6.641 1.00 0.00 N ATOM 1338 CA GLU A 83 7.161 12.126 7.999 1.00 0.00 C ATOM 1339 C GLU A 83 6.207 11.515 9.020 1.00 0.00 C ATOM 1340 O GLU A 83 6.618 11.117 10.109 1.00 0.00 O ATOM 1341 CB GLU A 83 7.290 13.632 8.238 1.00 0.00 C ATOM 1342 CG GLU A 83 8.704 14.159 8.047 1.00 0.00 C ATOM 1343 CD GLU A 83 9.630 13.767 9.181 1.00 0.00 C ATOM 1344 OE1 GLU A 83 9.395 12.710 9.803 1.00 0.00 O ATOM 1345 OE2 GLU A 83 10.591 14.518 9.450 1.00 0.00 O ATOM 0 H GLU A 83 6.498 12.707 6.096 1.00 0.00 H new ATOM 0 HA GLU A 83 8.140 11.663 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.620 14.158 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.960 13.860 9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.105 13.780 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.675 15.246 7.966 1.00 0.00 H new ATOM 1352 N VAL A 84 4.931 11.440 8.656 1.00 0.00 N ATOM 1353 CA VAL A 84 3.914 10.876 9.536 1.00 0.00 C ATOM 1354 C VAL A 84 4.074 9.363 9.655 1.00 0.00 C ATOM 1355 O VAL A 84 4.088 8.817 10.758 1.00 0.00 O ATOM 1356 CB VAL A 84 2.494 11.191 9.027 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.447 10.722 10.026 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.346 12.679 8.749 1.00 0.00 C ATOM 0 H VAL A 84 4.576 11.763 7.756 1.00 0.00 H new ATOM 0 HA VAL A 84 4.051 11.334 10.516 1.00 0.00 H new ATOM 0 HB VAL A 84 2.336 10.651 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.452 10.954 9.646 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.538 9.645 10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.600 11.230 10.978 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.337 12.884 8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.526 13.240 9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.069 12.981 7.991 1.00 0.00 H new ATOM 1368 N VAL A 85 4.193 8.695 8.513 1.00 0.00 N ATOM 1369 CA VAL A 85 4.352 7.245 8.489 1.00 0.00 C ATOM 1370 C VAL A 85 5.624 6.820 9.214 1.00 0.00 C ATOM 1371 O VAL A 85 5.614 5.879 10.009 1.00 0.00 O ATOM 1372 CB VAL A 85 4.393 6.708 7.046 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.335 5.188 7.040 1.00 0.00 C ATOM 1374 CG2 VAL A 85 3.256 7.295 6.224 1.00 0.00 C ATOM 0 H VAL A 85 4.182 9.134 7.592 1.00 0.00 H new ATOM 0 HA VAL A 85 3.487 6.823 9.001 1.00 0.00 H new ATOM 0 HB VAL A 85 5.335 7.015 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.365 4.827 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.188 4.789 7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.411 4.857 7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.302 6.904 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.302 7.022 6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.348 8.381 6.199 1.00 0.00 H new ATOM 1384 N ARG A 86 6.720 7.518 8.937 1.00 0.00 N ATOM 1385 CA ARG A 86 8.000 7.212 9.564 1.00 0.00 C ATOM 1386 C ARG A 86 7.913 7.338 11.082 1.00 0.00 C ATOM 1387 O ARG A 86 8.707 6.743 11.810 1.00 0.00 O ATOM 1388 CB ARG A 86 9.090 8.142 9.027 1.00 0.00 C ATOM 1389 CG ARG A 86 10.499 7.613 9.237 1.00 0.00 C ATOM 1390 CD ARG A 86 11.410 7.977 8.076 1.00 0.00 C ATOM 1391 NE ARG A 86 12.154 9.209 8.331 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.235 9.275 9.104 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.701 8.185 9.702 1.00 0.00 N ATOM 1394 NH2 ARG A 86 13.851 10.436 9.283 1.00 0.00 N ATOM 0 H ARG A 86 6.747 8.300 8.282 1.00 0.00 H new ATOM 0 HA ARG A 86 8.255 6.181 9.319 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.926 8.303 7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.999 9.113 9.513 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.907 8.020 10.162 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.469 6.529 9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.110 7.161 7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.815 8.094 7.170 1.00 0.00 H new ATOM 0 HE ARG A 86 11.825 10.068 7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.230 7.290 9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.530 8.243 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.496 11.277 8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.680 10.488 9.875 1.00 0.00 H new ATOM 1408 N GLY A 87 6.946 8.119 11.557 1.00 0.00 N ATOM 1409 CA GLY A 87 6.781 8.307 12.987 1.00 0.00 C ATOM 1410 C GLY A 87 5.837 7.294 13.607 1.00 0.00 C ATOM 1411 O GLY A 87 6.012 6.900 14.759 1.00 0.00 O ATOM 0 H GLY A 87 6.275 8.624 10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.754 8.235 13.473 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.404 9.312 13.176 1.00 0.00 H new ATOM 1415 N THR A 88 4.832 6.874 12.843 1.00 0.00 N ATOM 1416 CA THR A 88 3.860 5.902 13.332 1.00 0.00 C ATOM 1417 C THR A 88 4.543 4.595 13.727 1.00 0.00 C ATOM 1418 O THR A 88 5.539 4.197 13.119 1.00 0.00 O ATOM 1419 CB THR A 88 2.795 5.633 12.267 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.340 5.765 10.966 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.605 6.563 12.362 1.00 0.00 C ATOM 0 H THR A 88 4.670 7.190 11.887 1.00 0.00 H new ATOM 0 HA THR A 88 3.382 6.321 14.217 1.00 0.00 H new ATOM 0 HB THR A 88 2.455 4.614 12.451 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.260 5.427 10.961 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.888 6.318 11.578 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.130 6.448 13.337 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.938 7.594 12.240 1.00 0.00 H new ATOM 1429 N PRO A 89 4.016 3.907 14.755 1.00 0.00 N ATOM 1430 CA PRO A 89 4.583 2.639 15.228 1.00 0.00 C ATOM 1431 C PRO A 89 4.366 1.500 14.238 1.00 0.00 C ATOM 1432 O PRO A 89 5.124 0.529 14.218 1.00 0.00 O ATOM 1433 CB PRO A 89 3.817 2.370 16.526 1.00 0.00 C ATOM 1434 CG PRO A 89 2.524 3.088 16.357 1.00 0.00 C ATOM 1435 CD PRO A 89 2.830 4.308 15.535 1.00 0.00 C ATOM 0 HA PRO A 89 5.663 2.701 15.358 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.660 1.302 16.679 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.365 2.739 17.393 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.789 2.456 15.858 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.102 3.365 17.323 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.995 4.576 14.887 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.037 5.174 16.163 1.00 0.00 H new ATOM 1443 N GLY A 90 3.330 1.624 13.415 1.00 0.00 N ATOM 1444 CA GLY A 90 3.034 0.597 12.432 1.00 0.00 C ATOM 1445 C GLY A 90 4.209 0.307 11.519 1.00 0.00 C ATOM 1446 O GLY A 90 4.322 -0.789 10.971 1.00 0.00 O ATOM 0 H GLY A 90 2.689 2.418 13.411 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.743 -0.319 12.946 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.180 0.910 11.831 1.00 0.00 H new ATOM 1450 N ILE A 91 5.088 1.291 11.356 1.00 0.00 N ATOM 1451 CA ILE A 91 6.261 1.134 10.504 1.00 0.00 C ATOM 1452 C ILE A 91 7.441 0.577 11.293 1.00 0.00 C ATOM 1453 O ILE A 91 7.654 0.940 12.450 1.00 0.00 O ATOM 1454 CB ILE A 91 6.671 2.473 9.862 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.466 3.130 9.187 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.794 2.258 8.856 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.828 2.269 8.118 1.00 0.00 C ATOM 0 H ILE A 91 5.010 2.205 11.802 1.00 0.00 H new ATOM 0 HA ILE A 91 5.990 0.431 9.716 1.00 0.00 H new ATOM 0 HB ILE A 91 7.033 3.138 10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.719 3.367 9.945 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.779 4.075 8.742 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.072 3.214 8.411 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.658 1.828 9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.456 1.578 8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.980 2.798 7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.560 2.053 7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.484 1.334 8.561 1.00 0.00 H new ATOM 1567 N ARG A 100 15.503 3.989 1.366 1.00 0.00 N ATOM 1568 CA ARG A 100 14.222 4.364 0.779 1.00 0.00 C ATOM 1569 C ARG A 100 13.301 3.152 0.656 1.00 0.00 C ATOM 1570 O ARG A 100 13.767 2.015 0.568 1.00 0.00 O ATOM 1571 CB ARG A 100 14.436 4.999 -0.597 1.00 0.00 C ATOM 1572 CG ARG A 100 15.005 4.037 -1.628 1.00 0.00 C ATOM 1573 CD ARG A 100 16.062 4.704 -2.493 1.00 0.00 C ATOM 1574 NE ARG A 100 16.580 3.803 -3.517 1.00 0.00 N ATOM 1575 CZ ARG A 100 17.381 2.769 -3.260 1.00 0.00 C ATOM 1576 NH1 ARG A 100 17.756 2.506 -2.015 1.00 0.00 N ATOM 1577 NH2 ARG A 100 17.807 1.998 -4.251 1.00 0.00 N ATOM 0 HA ARG A 100 13.747 5.091 1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.485 5.388 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 100 15.110 5.850 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.440 3.175 -1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.200 3.663 -2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.636 5.587 -2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.883 5.046 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 100 16.314 3.974 -4.487 1.00 0.00 H new ATOM 0 HH11 ARG A 100 17.431 3.096 -1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 100 18.369 1.714 -1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.522 2.196 -5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.420 1.207 -4.054 1.00 0.00 H new ATOM 1591 N PRO A 101 11.976 3.378 0.646 1.00 0.00 N ATOM 1592 CA PRO A 101 10.990 2.296 0.528 1.00 0.00 C ATOM 1593 C PRO A 101 11.099 1.565 -0.805 1.00 0.00 C ATOM 1594 O PRO A 101 12.082 1.720 -1.529 1.00 0.00 O ATOM 1595 CB PRO A 101 9.642 3.020 0.640 1.00 0.00 C ATOM 1596 CG PRO A 101 9.933 4.435 0.278 1.00 0.00 C ATOM 1597 CD PRO A 101 11.335 4.701 0.745 1.00 0.00 C ATOM 0 HA PRO A 101 11.133 1.528 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.903 2.585 -0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 101 9.237 2.946 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.844 4.589 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.227 5.113 0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.835 5.439 0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.354 5.083 1.766 1.00 0.00 H new ATOM 1605 N VAL A 102 10.087 0.764 -1.124 1.00 0.00 N ATOM 1606 CA VAL A 102 10.079 0.009 -2.372 1.00 0.00 C ATOM 1607 C VAL A 102 8.673 -0.071 -2.968 1.00 0.00 C ATOM 1608 O VAL A 102 7.859 -0.892 -2.546 1.00 0.00 O ATOM 1609 CB VAL A 102 10.612 -1.422 -2.164 1.00 0.00 C ATOM 1610 CG1 VAL A 102 12.124 -1.408 -1.990 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.937 -2.076 -0.968 1.00 0.00 C ATOM 0 H VAL A 102 9.265 0.621 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 102 10.732 0.542 -3.063 1.00 0.00 H new ATOM 0 HB VAL A 102 10.376 -2.010 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.483 -2.427 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.589 -0.983 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.385 -0.804 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.327 -3.086 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.139 -1.490 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.861 -2.121 -1.137 1.00 0.00 H new ATOM 1621 N PRO A 103 8.369 0.784 -3.960 1.00 0.00 N ATOM 1622 CA PRO A 103 7.055 0.801 -4.610 1.00 0.00 C ATOM 1623 C PRO A 103 6.876 -0.359 -5.587 1.00 0.00 C ATOM 1624 O PRO A 103 7.771 -0.660 -6.377 1.00 0.00 O ATOM 1625 CB PRO A 103 7.055 2.133 -5.359 1.00 0.00 C ATOM 1626 CG PRO A 103 8.490 2.385 -5.671 1.00 0.00 C ATOM 1627 CD PRO A 103 9.278 1.800 -4.530 1.00 0.00 C ATOM 0 HA PRO A 103 6.241 0.696 -3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.455 2.078 -6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.635 2.932 -4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.770 1.920 -6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.685 3.453 -5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.211 1.354 -4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.541 2.560 -3.794 1.00 0.00 H new ATOM 1635 N LEU A 104 5.717 -1.005 -5.527 1.00 0.00 N ATOM 1636 CA LEU A 104 5.424 -2.131 -6.408 1.00 0.00 C ATOM 1637 C LEU A 104 5.173 -1.655 -7.836 1.00 0.00 C ATOM 1638 O LEU A 104 5.037 -0.457 -8.086 1.00 0.00 O ATOM 1639 CB LEU A 104 4.204 -2.902 -5.897 1.00 0.00 C ATOM 1640 CG LEU A 104 4.198 -3.188 -4.395 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.778 -3.158 -3.852 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.853 -4.530 -4.108 1.00 0.00 C ATOM 0 H LEU A 104 4.966 -0.769 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 104 6.291 -2.792 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.306 -2.337 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.143 -3.850 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 104 4.773 -2.410 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.793 -3.364 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.343 -2.174 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.179 -3.915 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.841 -4.719 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.305 -5.320 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.884 -4.515 -4.462 1.00 0.00 H new ATOM 1654 N SER A 105 5.113 -2.601 -8.767 1.00 0.00 N ATOM 1655 CA SER A 105 4.877 -2.279 -10.171 1.00 0.00 C ATOM 1656 C SER A 105 3.381 -2.256 -10.476 1.00 0.00 C ATOM 1657 O SER A 105 2.614 -3.029 -9.906 1.00 0.00 O ATOM 1658 CB SER A 105 5.580 -3.293 -11.075 1.00 0.00 C ATOM 1659 OG SER A 105 6.915 -3.513 -10.653 1.00 0.00 O ATOM 0 H SER A 105 5.224 -3.597 -8.576 1.00 0.00 H new ATOM 0 HA SER A 105 5.286 -1.288 -10.366 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.032 -4.235 -11.065 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.575 -2.933 -12.104 1.00 0.00 H new ATOM 0 HG SER A 105 7.342 -4.166 -11.246 1.00 0.00 H new ATOM 1665 N PRO A 106 2.947 -1.367 -11.388 1.00 0.00 N ATOM 1666 CA PRO A 106 1.534 -1.250 -11.766 1.00 0.00 C ATOM 1667 C PRO A 106 0.968 -2.557 -12.309 1.00 0.00 C ATOM 1668 O PRO A 106 -0.207 -2.867 -12.111 1.00 0.00 O ATOM 1669 CB PRO A 106 1.531 -0.170 -12.858 1.00 0.00 C ATOM 1670 CG PRO A 106 2.948 -0.071 -13.315 1.00 0.00 C ATOM 1671 CD PRO A 106 3.791 -0.412 -12.120 1.00 0.00 C ATOM 0 HA PRO A 106 0.909 -1.002 -10.908 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.870 -0.444 -13.681 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.176 0.784 -12.468 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.142 -0.758 -14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.172 0.932 -13.678 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.744 -0.854 -12.410 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.018 0.469 -11.520 1.00 0.00 H new ATOM 1679 N ASP A 107 1.810 -3.324 -12.993 1.00 0.00 N ATOM 1680 CA ASP A 107 1.392 -4.599 -13.564 1.00 0.00 C ATOM 1681 C ASP A 107 1.186 -5.644 -12.472 1.00 0.00 C ATOM 1682 O ASP A 107 0.326 -6.517 -12.587 1.00 0.00 O ATOM 1683 CB ASP A 107 2.428 -5.094 -14.574 1.00 0.00 C ATOM 1684 CG ASP A 107 2.082 -4.702 -15.997 1.00 0.00 C ATOM 1685 OD1 ASP A 107 1.844 -3.500 -16.240 1.00 0.00 O ATOM 1686 OD2 ASP A 107 2.048 -5.596 -16.869 1.00 0.00 O ATOM 0 H ASP A 107 2.786 -3.085 -13.166 1.00 0.00 H new ATOM 0 HA ASP A 107 0.442 -4.445 -14.076 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.406 -4.688 -14.316 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.506 -6.179 -14.508 1.00 0.00 H new ATOM 1691 N GLU A 108 1.983 -5.550 -11.412 1.00 0.00 N ATOM 1692 CA GLU A 108 1.889 -6.489 -10.299 1.00 0.00 C ATOM 1693 C GLU A 108 0.784 -6.081 -9.331 1.00 0.00 C ATOM 1694 O GLU A 108 0.118 -6.930 -8.742 1.00 0.00 O ATOM 1695 CB GLU A 108 3.225 -6.569 -9.560 1.00 0.00 C ATOM 1696 CG GLU A 108 4.134 -7.679 -10.064 1.00 0.00 C ATOM 1697 CD GLU A 108 5.202 -7.171 -11.013 1.00 0.00 C ATOM 1698 OE1 GLU A 108 4.853 -6.440 -11.963 1.00 0.00 O ATOM 1699 OE2 GLU A 108 6.389 -7.506 -10.805 1.00 0.00 O ATOM 0 H GLU A 108 2.701 -4.834 -11.300 1.00 0.00 H new ATOM 0 HA GLU A 108 1.645 -7.471 -10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.742 -5.615 -9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.034 -6.721 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.611 -8.167 -9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.533 -8.435 -10.570 1.00 0.00 H new ATOM 1706 N VAL A 109 0.595 -4.773 -9.172 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.430 -4.255 -8.272 1.00 0.00 C ATOM 1708 C VAL A 109 -1.811 -4.783 -8.649 1.00 0.00 C ATOM 1709 O VAL A 109 -2.581 -5.207 -7.787 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.460 -2.714 -8.278 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.491 -2.191 -7.287 1.00 0.00 C ATOM 1712 CG2 VAL A 109 0.919 -2.149 -7.969 1.00 0.00 C ATOM 0 H VAL A 109 1.137 -4.055 -9.653 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.174 -4.600 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.749 -2.382 -9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.495 -1.101 -7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.479 -2.563 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.238 -2.534 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.876 -1.060 -7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.240 -2.491 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.629 -2.491 -8.722 1.00 0.00 H new ATOM 1722 N ARG A 110 -2.125 -4.748 -9.940 1.00 0.00 N ATOM 1723 CA ARG A 110 -3.417 -5.219 -10.425 1.00 0.00 C ATOM 1724 C ARG A 110 -3.697 -6.642 -9.952 1.00 0.00 C ATOM 1725 O ARG A 110 -4.850 -7.024 -9.754 1.00 0.00 O ATOM 1726 CB ARG A 110 -3.466 -5.155 -11.954 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.810 -4.702 -12.502 1.00 0.00 C ATOM 1728 CD ARG A 110 -5.592 -5.862 -13.097 1.00 0.00 C ATOM 1729 NE ARG A 110 -6.328 -5.469 -14.296 1.00 0.00 N ATOM 1730 CZ ARG A 110 -7.280 -6.212 -14.858 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -7.612 -7.385 -14.335 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -7.899 -5.780 -15.948 1.00 0.00 N ATOM 0 H ARG A 110 -1.503 -4.399 -10.669 1.00 0.00 H new ATOM 0 HA ARG A 110 -4.188 -4.566 -10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.691 -4.474 -12.306 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.232 -6.140 -12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.392 -4.241 -11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.654 -3.939 -13.264 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.907 -6.673 -13.342 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.290 -6.248 -12.354 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.100 -4.574 -14.728 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.137 -7.723 -13.498 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.342 -7.949 -14.770 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.646 -4.880 -16.355 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.628 -6.348 -16.379 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.638 -7.422 -9.767 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.779 -8.798 -9.313 1.00 0.00 C ATOM 1748 C HIS A 111 -3.116 -8.839 -7.829 1.00 0.00 C ATOM 1749 O HIS A 111 -4.092 -9.471 -7.422 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.495 -9.585 -9.581 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.683 -11.070 -9.540 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -2.724 -11.715 -10.177 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -0.957 -12.039 -8.933 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -2.630 -13.015 -9.963 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.567 -13.239 -9.212 1.00 0.00 N ATOM 0 H HIS A 111 -1.675 -7.125 -9.924 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.595 -9.259 -9.870 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.103 -9.304 -10.559 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.744 -9.302 -8.843 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.065 -11.896 -8.341 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.308 -13.767 -10.339 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.250 -14.154 -8.891 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.311 -8.154 -7.023 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.540 -8.112 -5.586 1.00 0.00 C ATOM 1766 C ILE A 112 -3.817 -7.340 -5.259 1.00 0.00 C ATOM 1767 O ILE A 112 -4.382 -7.491 -4.177 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.347 -7.474 -4.841 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.195 -6.000 -5.223 1.00 0.00 C ATOM 1770 CG2 ILE A 112 -0.069 -8.245 -5.141 1.00 0.00 C ATOM 1771 CD1 ILE A 112 0.061 -5.353 -4.677 1.00 0.00 C ATOM 0 H ILE A 112 -1.499 -7.624 -7.340 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.649 -9.143 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.539 -7.524 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.194 -5.914 -6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.063 -5.449 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.766 -7.786 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.183 -9.279 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.126 -8.223 -6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.098 -4.309 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.054 -5.406 -3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.936 -5.878 -5.060 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.275 -6.521 -6.207 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.490 -5.739 -6.017 1.00 0.00 C ATOM 1785 C LEU A 113 -6.723 -6.618 -6.193 1.00 0.00 C ATOM 1786 O LEU A 113 -7.709 -6.471 -5.470 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.532 -4.572 -7.008 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.415 -3.185 -6.377 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.161 -3.092 -5.522 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.415 -2.108 -7.452 1.00 0.00 C ATOM 0 H LEU A 113 -3.822 -6.385 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.487 -5.340 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.723 -4.697 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.466 -4.623 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.280 -3.025 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.094 -2.097 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.205 -3.839 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.283 -3.273 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.331 -1.127 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.570 -2.264 -8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.344 -2.161 -8.020 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.659 -7.534 -7.154 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.771 -8.439 -7.420 1.00 0.00 C ATOM 1804 C GLU A 114 -7.939 -9.443 -6.284 1.00 0.00 C ATOM 1805 O GLU A 114 -9.038 -9.936 -6.034 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.551 -9.177 -8.742 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.771 -9.950 -9.217 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.866 -10.016 -10.728 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -8.712 -8.962 -11.381 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -9.096 -11.123 -11.261 1.00 0.00 O ATOM 0 H GLU A 114 -5.850 -7.669 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.682 -7.844 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.267 -8.456 -9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.715 -9.867 -8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.735 -10.962 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.671 -9.481 -8.820 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.840 -9.741 -5.598 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.865 -10.686 -4.488 1.00 0.00 C ATOM 1819 C VAL A 115 -7.228 -9.990 -3.182 1.00 0.00 C ATOM 1820 O VAL A 115 -7.856 -10.582 -2.304 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.506 -11.392 -4.320 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.603 -12.500 -3.282 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -5.016 -11.941 -5.653 1.00 0.00 C ATOM 0 H VAL A 115 -5.922 -9.342 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.626 -11.430 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.780 -10.659 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.633 -12.987 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.901 -12.075 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.344 -13.233 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.055 -12.435 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.740 -12.659 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.902 -11.123 -6.364 1.00 0.00 H new ATOM 1833 N SER A 116 -6.831 -8.727 -3.059 1.00 0.00 N ATOM 1834 CA SER A 116 -7.116 -7.950 -1.858 1.00 0.00 C ATOM 1835 C SER A 116 -8.621 -7.838 -1.628 1.00 0.00 C ATOM 1836 O SER A 116 -9.147 -8.346 -0.639 1.00 0.00 O ATOM 1837 CB SER A 116 -6.497 -6.555 -1.967 1.00 0.00 C ATOM 1838 OG SER A 116 -5.725 -6.248 -0.819 1.00 0.00 O ATOM 0 H SER A 116 -6.311 -8.220 -3.776 1.00 0.00 H new ATOM 0 HA SER A 116 -6.674 -8.468 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.869 -6.501 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.286 -5.812 -2.088 1.00 0.00 H new ATOM 0 HG SER A 116 -5.453 -7.079 -0.376 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.306 -7.170 -2.550 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.742 -7.004 -2.430 1.00 0.00 C ATOM 1846 C GLY A 117 -11.239 -5.728 -3.081 1.00 0.00 C ATOM 1847 O GLY A 117 -12.065 -5.015 -2.512 1.00 0.00 O ATOM 0 H GLY A 117 -8.892 -6.741 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.242 -7.858 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.016 -7.000 -1.375 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.737 -5.440 -4.279 1.00 0.00 N ATOM 1852 CA LEU A 118 -11.138 -4.242 -5.006 1.00 0.00 C ATOM 1853 C LEU A 118 -11.766 -4.606 -6.347 1.00 0.00 C ATOM 1854 O LEU A 118 -12.823 -4.092 -6.709 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.934 -3.322 -5.229 1.00 0.00 C ATOM 1856 CG LEU A 118 -9.036 -3.113 -4.007 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -8.012 -2.020 -4.280 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.870 -2.769 -2.781 1.00 0.00 C ATOM 0 H LEU A 118 -10.053 -6.020 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.880 -3.717 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.329 -3.732 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.297 -2.350 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.504 -4.043 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.382 -1.884 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.393 -2.306 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.528 -1.086 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.213 -2.624 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.430 -1.853 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.564 -3.583 -2.573 1.00 0.00 H new ATOM 1870 N LEU A 119 -11.104 -5.496 -7.081 1.00 0.00 N ATOM 1871 CA LEU A 119 -11.598 -5.929 -8.384 1.00 0.00 C ATOM 1872 C LEU A 119 -12.169 -7.341 -8.307 1.00 0.00 C ATOM 1873 O LEU A 119 -13.159 -7.657 -8.966 1.00 0.00 O ATOM 1874 CB LEU A 119 -10.473 -5.875 -9.420 1.00 0.00 C ATOM 1875 CG LEU A 119 -10.384 -4.565 -10.211 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -9.013 -3.928 -10.042 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -10.683 -4.807 -11.682 1.00 0.00 C ATOM 0 H LEU A 119 -10.226 -5.930 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 119 -12.396 -5.251 -8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.523 -6.040 -8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -10.606 -6.698 -10.122 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.132 -3.877 -9.817 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.971 -2.999 -10.611 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.838 -3.715 -8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.247 -4.612 -10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.615 -3.865 -12.227 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.960 -5.515 -12.089 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.688 -5.215 -11.787 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.539 -8.187 -7.497 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.000 -9.555 -7.350 1.00 0.00 C ATOM 1891 C GLY A 120 -13.020 -9.707 -6.238 1.00 0.00 C ATOM 1892 O GLY A 120 -13.579 -10.815 -6.093 1.00 0.00 O ATOM 1893 OXT GLY A 120 -13.259 -8.719 -5.513 1.00 0.00 O ATOM 0 H GLY A 120 -10.718 -7.949 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.439 -9.890 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.147 -10.203 -7.148 1.00 0.00 H new