USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=14 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= -1.02 F(o=-6.3,f=-2.1) USER MOD Set 1.2: A 69 GLN :FLIP amide:sc= -1.11 F(o=-4.9,f=-2.1) USER MOD Set 2.1: A 9 HIS :FLIP no HE2:sc= -5.55! C(o=-6.4!,f=-5.1!) USER MOD Set 2.2: A 65 TYR OH : rot -131:sc= 0.414 USER MOD Single : A 6 TYR OH : rot 165:sc= -0.408 USER MOD Single : A 10 THR OG1 : rot -160:sc= -0.0436 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.116 F(o=-0.67,f=-0.12) 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 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00873) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 34 LYS NZ :NH3+ -121:sc= 1.65 (180deg=0.523) USER MOD Single : A 42 THR OG1 : rot -41:sc= 0.553 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 -136:sc= -2.94 (180deg=-7.8!) USER MOD Single : A 79 ASN : amide:sc= -1.74 K(o=-1.7,f=-3.7!) USER MOD Single : A 88 THR OG1 : rot -83:sc= 1.04 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0661 USER MOD Single : A 111 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.4) USER MOD Single : A 116 SER OG : rot 180:sc= -3.2! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 0.790 8.716 -9.034 1.00 0.00 N ATOM 15 CA ILE A 3 0.842 8.016 -7.754 1.00 0.00 C ATOM 16 C ILE A 3 1.401 6.606 -7.928 1.00 0.00 C ATOM 17 O ILE A 3 1.587 6.141 -9.053 1.00 0.00 O ATOM 18 CB ILE A 3 -0.552 7.957 -7.083 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.430 6.862 -7.702 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.244 9.309 -7.193 1.00 0.00 C ATOM 21 CD1 ILE A 3 -1.770 7.105 -9.156 1.00 0.00 C ATOM 0 HA ILE A 3 1.509 8.580 -7.102 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.406 7.712 -6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.918 5.904 -7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.355 6.783 -7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.224 9.256 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.640 10.068 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.364 9.572 -8.244 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.393 6.290 -9.525 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.311 8.047 -9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.852 7.154 -9.741 1.00 0.00 H new ATOM 33 N GLU A 4 1.678 5.931 -6.816 1.00 0.00 N ATOM 34 CA GLU A 4 2.225 4.579 -6.874 1.00 0.00 C ATOM 35 C GLU A 4 1.870 3.769 -5.629 1.00 0.00 C ATOM 36 O GLU A 4 1.504 4.322 -4.589 1.00 0.00 O ATOM 37 CB GLU A 4 3.744 4.633 -7.040 1.00 0.00 C ATOM 38 CG GLU A 4 4.190 4.977 -8.453 1.00 0.00 C ATOM 39 CD GLU A 4 5.391 4.166 -8.897 1.00 0.00 C ATOM 40 OE1 GLU A 4 5.363 2.928 -8.740 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.360 4.770 -9.405 1.00 0.00 O ATOM 0 H GLU A 4 1.535 6.293 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 4 1.779 4.081 -7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.151 5.372 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.166 3.668 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.364 4.805 -9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.433 6.038 -8.505 1.00 0.00 H new ATOM 48 N TRP A 5 1.993 2.449 -5.753 1.00 0.00 N ATOM 49 CA TRP A 5 1.699 1.536 -4.655 1.00 0.00 C ATOM 50 C TRP A 5 2.937 1.314 -3.794 1.00 0.00 C ATOM 51 O TRP A 5 3.747 0.430 -4.075 1.00 0.00 O ATOM 52 CB TRP A 5 1.218 0.190 -5.201 1.00 0.00 C ATOM 53 CG TRP A 5 -0.227 0.170 -5.597 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.741 0.413 -6.838 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.344 -0.125 -4.751 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.109 0.285 -6.816 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.503 -0.045 -5.546 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.476 -0.451 -3.399 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.775 -0.280 -5.031 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.741 -0.682 -2.890 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.874 -0.598 -3.705 1.00 0.00 C ATOM 0 H TRP A 5 2.297 1.987 -6.610 1.00 0.00 H new ATOM 0 HA TRP A 5 0.915 1.983 -4.044 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.824 -0.076 -6.067 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.387 -0.577 -4.446 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.158 0.669 -7.710 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.730 0.415 -7.615 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.606 -0.521 -2.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.653 -0.213 -5.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.856 -0.931 -1.845 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.848 -0.788 -3.278 1.00 0.00 H new ATOM 72 N TYR A 6 3.082 2.112 -2.743 1.00 0.00 N ATOM 73 CA TYR A 6 4.227 1.988 -1.849 1.00 0.00 C ATOM 74 C TYR A 6 3.941 0.979 -0.743 1.00 0.00 C ATOM 75 O TYR A 6 3.069 1.195 0.097 1.00 0.00 O ATOM 76 CB TYR A 6 4.581 3.347 -1.249 1.00 0.00 C ATOM 77 CG TYR A 6 5.273 4.269 -2.227 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.650 4.220 -2.401 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.548 5.184 -2.979 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.286 5.058 -3.299 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.176 6.025 -3.878 1.00 0.00 C ATOM 82 CZ TYR A 6 6.545 5.957 -4.033 1.00 0.00 C ATOM 83 OH TYR A 6 7.174 6.792 -4.928 1.00 0.00 O ATOM 0 H TYR A 6 2.424 2.849 -2.489 1.00 0.00 H new ATOM 0 HA TYR A 6 5.077 1.629 -2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.670 3.826 -0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.225 3.197 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.234 3.516 -1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.476 5.239 -2.859 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.358 5.008 -3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.598 6.731 -4.456 1.00 0.00 H new ATOM 0 HH TYR A 6 6.509 7.187 -5.529 1.00 0.00 H new ATOM 93 N ALA A 7 4.677 -0.129 -0.757 1.00 0.00 N ATOM 94 CA ALA A 7 4.495 -1.176 0.240 1.00 0.00 C ATOM 95 C ALA A 7 5.560 -1.104 1.327 1.00 0.00 C ATOM 96 O ALA A 7 6.702 -0.721 1.071 1.00 0.00 O ATOM 97 CB ALA A 7 4.513 -2.545 -0.425 1.00 0.00 C ATOM 0 H ALA A 7 5.403 -0.323 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 7 3.525 -1.021 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.376 -3.318 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.707 -2.605 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.469 -2.693 -0.927 1.00 0.00 H new ATOM 103 N VAL A 8 5.178 -1.482 2.544 1.00 0.00 N ATOM 104 CA VAL A 8 6.097 -1.470 3.675 1.00 0.00 C ATOM 105 C VAL A 8 6.100 -2.823 4.382 1.00 0.00 C ATOM 106 O VAL A 8 5.167 -3.612 4.233 1.00 0.00 O ATOM 107 CB VAL A 8 5.730 -0.372 4.692 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.831 -0.211 5.727 1.00 0.00 C ATOM 109 CG2 VAL A 8 5.459 0.946 3.982 1.00 0.00 C ATOM 0 H VAL A 8 4.236 -1.801 2.771 1.00 0.00 H new ATOM 0 HA VAL A 8 7.090 -1.261 3.277 1.00 0.00 H new ATOM 0 HB VAL A 8 4.819 -0.674 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.553 0.569 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.971 -1.152 6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.760 0.066 5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.202 1.709 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.350 1.255 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.631 0.820 3.284 1.00 0.00 H new ATOM 119 N HIS A 9 7.154 -3.084 5.148 1.00 0.00 N ATOM 120 CA HIS A 9 7.276 -4.346 5.874 1.00 0.00 C ATOM 121 C HIS A 9 7.238 -4.116 7.380 1.00 0.00 C ATOM 122 O HIS A 9 7.545 -3.026 7.861 1.00 0.00 O ATOM 123 CB HIS A 9 8.573 -5.059 5.488 1.00 0.00 C ATOM 124 CG HIS A 9 8.839 -5.064 4.015 1.00 0.00 C ATOM 125 ND1 HIS A 9 8.988 -4.042 3.137 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 8.980 -6.221 3.277 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.214 -4.597 1.901 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 9.204 -5.911 2.013 1.00 0.00 N flip ATOM 0 H HIS A 9 7.935 -2.442 5.283 1.00 0.00 H new ATOM 0 HA HIS A 9 6.429 -4.975 5.600 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.408 -4.578 5.998 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.532 -6.088 5.845 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.941 -3.046 3.354 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.917 -7.224 3.672 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.374 -4.046 0.986 1.00 0.00 H new ATOM 137 N THR A 10 6.860 -5.153 8.121 1.00 0.00 N ATOM 138 CA THR A 10 6.782 -5.070 9.576 1.00 0.00 C ATOM 139 C THR A 10 6.897 -6.455 10.206 1.00 0.00 C ATOM 140 O THR A 10 7.130 -7.445 9.512 1.00 0.00 O ATOM 141 CB THR A 10 5.469 -4.412 10.002 1.00 0.00 C ATOM 142 OG1 THR A 10 4.361 -5.208 9.621 1.00 0.00 O ATOM 143 CG2 THR A 10 5.269 -3.034 9.409 1.00 0.00 C ATOM 0 H THR A 10 6.602 -6.062 7.737 1.00 0.00 H new ATOM 0 HA THR A 10 7.615 -4.460 9.925 1.00 0.00 H new ATOM 0 HB THR A 10 5.533 -4.318 11.086 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.552 -4.656 9.605 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.319 -2.625 9.752 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.081 -2.380 9.726 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.263 -3.103 8.321 1.00 0.00 H new ATOM 151 N LEU A 11 6.731 -6.518 11.523 1.00 0.00 N ATOM 152 CA LEU A 11 6.817 -7.783 12.244 1.00 0.00 C ATOM 153 C LEU A 11 5.451 -8.456 12.326 1.00 0.00 C ATOM 154 O LEU A 11 4.423 -7.788 12.427 1.00 0.00 O ATOM 155 CB LEU A 11 7.373 -7.555 13.651 1.00 0.00 C ATOM 156 CG LEU A 11 8.898 -7.594 13.757 1.00 0.00 C ATOM 157 CD1 LEU A 11 9.392 -6.546 14.744 1.00 0.00 C ATOM 158 CD2 LEU A 11 9.369 -8.980 14.169 1.00 0.00 C ATOM 0 H LEU A 11 6.536 -5.709 12.112 1.00 0.00 H new ATOM 0 HA LEU A 11 7.493 -8.440 11.697 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.023 -6.587 14.011 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.958 -8.312 14.317 1.00 0.00 H new ATOM 0 HG LEU A 11 9.317 -7.366 12.777 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.479 -6.589 14.806 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.086 -5.556 14.406 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.964 -6.742 15.727 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.457 -8.989 14.239 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.941 -9.237 15.138 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.048 -9.709 13.426 1.00 0.00 H new ATOM 170 N VAL A 12 5.449 -9.785 12.283 1.00 0.00 N ATOM 171 CA VAL A 12 4.209 -10.550 12.352 1.00 0.00 C ATOM 172 C VAL A 12 3.470 -10.281 13.660 1.00 0.00 C ATOM 173 O VAL A 12 4.058 -10.344 14.741 1.00 0.00 O ATOM 174 CB VAL A 12 4.474 -12.062 12.227 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.035 -12.394 10.854 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.418 -12.533 13.324 1.00 0.00 C ATOM 0 H VAL A 12 6.292 -10.354 12.201 1.00 0.00 H new ATOM 0 HA VAL A 12 3.591 -10.227 11.515 1.00 0.00 H new ATOM 0 HB VAL A 12 3.527 -12.588 12.345 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.216 -13.467 10.784 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.320 -12.096 10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.972 -11.858 10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.593 -13.604 13.219 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.366 -12.001 13.242 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.972 -12.332 14.298 1.00 0.00 H new ATOM 186 N GLY A 13 2.181 -9.980 13.554 1.00 0.00 N ATOM 187 CA GLY A 13 1.383 -9.706 14.734 1.00 0.00 C ATOM 188 C GLY A 13 1.265 -8.222 15.022 1.00 0.00 C ATOM 189 O GLY A 13 0.278 -7.772 15.604 1.00 0.00 O ATOM 0 H GLY A 13 1.674 -9.921 12.671 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.387 -10.128 14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.828 -10.206 15.594 1.00 0.00 H new ATOM 193 N GLN A 14 2.276 -7.461 14.615 1.00 0.00 N ATOM 194 CA GLN A 14 2.282 -6.018 14.833 1.00 0.00 C ATOM 195 C GLN A 14 1.725 -5.277 13.619 1.00 0.00 C ATOM 196 O GLN A 14 1.272 -4.138 13.732 1.00 0.00 O ATOM 197 CB GLN A 14 3.704 -5.535 15.132 1.00 0.00 C ATOM 198 CG GLN A 14 3.995 -5.391 16.617 1.00 0.00 C ATOM 199 CD GLN A 14 3.285 -4.204 17.238 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.061 -4.424 17.706 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 3.828 -3.100 17.296 1.00 0.00 N flip ATOM 0 H GLN A 14 3.101 -7.819 14.133 1.00 0.00 H new ATOM 0 HA GLN A 14 1.642 -5.803 15.689 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.416 -6.236 14.696 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.863 -4.574 14.644 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.691 -6.302 17.133 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.070 -5.284 16.764 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.770 -2.975 16.924 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.336 -2.311 17.716 1.00 0.00 H new ATOM 210 N GLU A 15 1.760 -5.928 12.459 1.00 0.00 N ATOM 211 CA GLU A 15 1.258 -5.328 11.227 1.00 0.00 C ATOM 212 C GLU A 15 -0.177 -4.837 11.402 1.00 0.00 C ATOM 213 O GLU A 15 -0.525 -3.739 10.965 1.00 0.00 O ATOM 214 CB GLU A 15 1.327 -6.337 10.080 1.00 0.00 C ATOM 215 CG GLU A 15 0.432 -7.549 10.279 1.00 0.00 C ATOM 216 CD GLU A 15 0.557 -8.558 9.154 1.00 0.00 C ATOM 217 OE1 GLU A 15 0.361 -8.168 7.984 1.00 0.00 O ATOM 218 OE2 GLU A 15 0.852 -9.737 9.443 1.00 0.00 O ATOM 0 H GLU A 15 2.131 -6.871 12.347 1.00 0.00 H new ATOM 0 HA GLU A 15 1.888 -4.471 10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.048 -5.838 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.358 -6.672 9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.684 -8.031 11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.605 -7.222 10.355 1.00 0.00 H new ATOM 225 N GLU A 16 -1.004 -5.657 12.042 1.00 0.00 N ATOM 226 CA GLU A 16 -2.399 -5.303 12.274 1.00 0.00 C ATOM 227 C GLU A 16 -2.507 -4.035 13.114 1.00 0.00 C ATOM 228 O GLU A 16 -3.428 -3.238 12.939 1.00 0.00 O ATOM 229 CB GLU A 16 -3.130 -6.454 12.969 1.00 0.00 C ATOM 230 CG GLU A 16 -4.595 -6.568 12.577 1.00 0.00 C ATOM 231 CD GLU A 16 -5.506 -6.758 13.774 1.00 0.00 C ATOM 232 OE1 GLU A 16 -5.447 -7.838 14.399 1.00 0.00 O ATOM 233 OE2 GLU A 16 -6.280 -5.828 14.085 1.00 0.00 O ATOM 0 H GLU A 16 -0.733 -6.569 12.409 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.866 -5.116 11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.625 -7.390 12.732 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.061 -6.319 14.048 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.894 -5.670 12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.720 -7.408 11.893 1.00 0.00 H new ATOM 240 N LYS A 17 -1.557 -3.854 14.026 1.00 0.00 N ATOM 241 CA LYS A 17 -1.543 -2.681 14.894 1.00 0.00 C ATOM 242 C LYS A 17 -0.949 -1.477 14.171 1.00 0.00 C ATOM 243 O LYS A 17 -1.326 -0.335 14.434 1.00 0.00 O ATOM 244 CB LYS A 17 -0.745 -2.972 16.166 1.00 0.00 C ATOM 245 CG LYS A 17 -0.759 -1.829 17.168 1.00 0.00 C ATOM 246 CD LYS A 17 -1.724 -2.099 18.311 1.00 0.00 C ATOM 247 CE LYS A 17 -3.153 -2.241 17.813 1.00 0.00 C ATOM 248 NZ LYS A 17 -4.106 -2.502 18.926 1.00 0.00 N ATOM 0 H LYS A 17 -0.787 -4.504 14.183 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.573 -2.448 15.165 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.149 -3.866 16.642 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.287 -3.194 15.895 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.245 -1.681 17.566 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.041 -0.905 16.663 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.427 -3.009 18.832 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.669 -1.286 19.035 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.447 -1.331 17.289 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.206 -3.056 17.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.069 -2.592 18.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.841 -3.384 19.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.074 -1.713 19.602 1.00 0.00 H new ATOM 262 N ALA A 18 -0.019 -1.740 13.259 1.00 0.00 N ATOM 263 CA ALA A 18 0.627 -0.678 12.497 1.00 0.00 C ATOM 264 C ALA A 18 -0.377 0.048 11.608 1.00 0.00 C ATOM 265 O ALA A 18 -0.456 1.276 11.620 1.00 0.00 O ATOM 266 CB ALA A 18 1.761 -1.247 11.658 1.00 0.00 C ATOM 0 H ALA A 18 0.304 -2.680 13.030 1.00 0.00 H new ATOM 0 HA ALA A 18 1.037 0.044 13.203 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.235 -0.444 11.094 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.497 -1.715 12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.364 -1.991 10.967 1.00 0.00 H new ATOM 272 N LYS A 19 -1.142 -0.719 10.839 1.00 0.00 N ATOM 273 CA LYS A 19 -2.142 -0.148 9.944 1.00 0.00 C ATOM 274 C LYS A 19 -3.180 0.650 10.724 1.00 0.00 C ATOM 275 O LYS A 19 -3.643 1.696 10.272 1.00 0.00 O ATOM 276 CB LYS A 19 -2.830 -1.255 9.142 1.00 0.00 C ATOM 277 CG LYS A 19 -3.611 -0.742 7.944 1.00 0.00 C ATOM 278 CD LYS A 19 -4.677 -1.734 7.507 1.00 0.00 C ATOM 279 CE LYS A 19 -6.031 -1.392 8.104 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.140 -1.626 7.137 1.00 0.00 N ATOM 0 H LYS A 19 -1.089 -1.737 10.817 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.633 0.528 9.257 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.077 -1.964 8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.506 -1.802 9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.079 0.210 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.927 -0.553 7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.748 -1.738 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.387 -2.740 7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.196 -1.994 8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.036 -0.348 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.047 -1.381 7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.997 -1.033 6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.151 -2.628 6.858 1.00 0.00 H new ATOM 294 N ALA A 20 -3.539 0.149 11.902 1.00 0.00 N ATOM 295 CA ALA A 20 -4.523 0.815 12.747 1.00 0.00 C ATOM 296 C ALA A 20 -4.012 2.172 13.219 1.00 0.00 C ATOM 297 O ALA A 20 -4.674 3.193 13.039 1.00 0.00 O ATOM 298 CB ALA A 20 -4.875 -0.063 13.938 1.00 0.00 C ATOM 0 H ALA A 20 -3.163 -0.715 12.292 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.422 0.982 12.154 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.611 0.446 14.561 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.290 -1.007 13.584 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.977 -0.259 14.524 1.00 0.00 H new ATOM 304 N ASN A 21 -2.828 2.175 13.824 1.00 0.00 N ATOM 305 CA ASN A 21 -2.228 3.408 14.321 1.00 0.00 C ATOM 306 C ASN A 21 -2.013 4.405 13.187 1.00 0.00 C ATOM 307 O ASN A 21 -2.054 5.618 13.396 1.00 0.00 O ATOM 308 CB ASN A 21 -0.897 3.107 15.018 1.00 0.00 C ATOM 309 CG ASN A 21 -0.995 3.222 16.525 1.00 0.00 C ATOM 310 OD1 ASN A 21 -0.639 4.249 17.105 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.476 2.167 17.171 1.00 0.00 N ATOM 0 H ASN A 21 -2.266 1.339 13.982 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.914 3.853 15.042 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.571 2.101 14.754 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.135 3.795 14.653 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.562 2.187 18.187 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.759 1.336 16.651 1.00 0.00 H new ATOM 318 N LEU A 22 -1.779 3.886 11.985 1.00 0.00 N ATOM 319 CA LEU A 22 -1.556 4.734 10.818 1.00 0.00 C ATOM 320 C LEU A 22 -2.871 5.321 10.312 1.00 0.00 C ATOM 321 O LEU A 22 -3.016 6.538 10.204 1.00 0.00 O ATOM 322 CB LEU A 22 -0.880 3.931 9.703 1.00 0.00 C ATOM 323 CG LEU A 22 -0.686 4.687 8.386 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.041 6.000 8.624 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.076 3.827 7.388 1.00 0.00 C ATOM 0 H LEU A 22 -1.739 2.885 11.794 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.903 5.555 11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.094 3.594 10.058 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.474 3.038 9.508 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.668 4.912 7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.169 6.522 7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.542 6.621 9.304 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.018 5.800 9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.206 4.379 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.053 3.573 7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.485 2.913 7.193 1.00 0.00 H new ATOM 337 N GLU A 23 -3.824 4.448 10.001 1.00 0.00 N ATOM 338 CA GLU A 23 -5.128 4.877 9.503 1.00 0.00 C ATOM 339 C GLU A 23 -5.718 5.980 10.378 1.00 0.00 C ATOM 340 O GLU A 23 -6.461 6.835 9.898 1.00 0.00 O ATOM 341 CB GLU A 23 -6.090 3.688 9.443 1.00 0.00 C ATOM 342 CG GLU A 23 -6.034 2.928 8.128 1.00 0.00 C ATOM 343 CD GLU A 23 -7.115 1.870 8.020 1.00 0.00 C ATOM 344 OE1 GLU A 23 -7.517 1.324 9.069 1.00 0.00 O ATOM 345 OE2 GLU A 23 -7.560 1.590 6.887 1.00 0.00 O ATOM 0 H GLU A 23 -3.718 3.437 10.085 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.988 5.277 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.860 3.003 10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.107 4.045 9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.135 3.631 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.057 2.456 8.027 1.00 0.00 H new ATOM 352 N LYS A 24 -5.382 5.954 11.664 1.00 0.00 N ATOM 353 CA LYS A 24 -5.876 6.954 12.602 1.00 0.00 C ATOM 354 C LYS A 24 -5.154 8.283 12.406 1.00 0.00 C ATOM 355 O LYS A 24 -5.761 9.350 12.496 1.00 0.00 O ATOM 356 CB LYS A 24 -5.700 6.466 14.042 1.00 0.00 C ATOM 357 CG LYS A 24 -6.978 5.922 14.658 1.00 0.00 C ATOM 358 CD LYS A 24 -7.733 7.003 15.418 1.00 0.00 C ATOM 359 CE LYS A 24 -8.788 7.662 14.545 1.00 0.00 C ATOM 360 NZ LYS A 24 -9.992 6.801 14.381 1.00 0.00 N ATOM 0 H LYS A 24 -4.770 5.252 12.079 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.938 7.107 12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.936 5.688 14.063 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.333 7.290 14.654 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.616 5.513 13.874 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.737 5.101 15.333 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.207 6.568 16.298 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.031 7.757 15.774 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.081 8.615 14.986 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.363 7.882 13.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.478 7.049 13.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.703 5.802 14.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.637 6.949 15.184 1.00 0.00 H new ATOM 374 N ARG A 25 -3.855 8.210 12.133 1.00 0.00 N ATOM 375 CA ARG A 25 -3.051 9.408 11.921 1.00 0.00 C ATOM 376 C ARG A 25 -3.364 10.030 10.565 1.00 0.00 C ATOM 377 O ARG A 25 -3.395 11.254 10.424 1.00 0.00 O ATOM 378 CB ARG A 25 -1.562 9.073 12.012 1.00 0.00 C ATOM 379 CG ARG A 25 -1.027 9.059 13.436 1.00 0.00 C ATOM 380 CD ARG A 25 -0.692 10.461 13.919 1.00 0.00 C ATOM 381 NE ARG A 25 -0.102 10.451 15.254 1.00 0.00 N ATOM 382 CZ ARG A 25 0.033 11.539 16.012 1.00 0.00 C ATOM 383 NH1 ARG A 25 -0.380 12.720 15.570 1.00 0.00 N ATOM 384 NH2 ARG A 25 0.581 11.443 17.216 1.00 0.00 N ATOM 0 H ARG A 25 -3.337 7.335 12.054 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.298 10.128 12.701 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.389 8.097 11.558 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.998 9.800 11.428 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.767 8.612 14.099 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.136 8.434 13.485 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.000 10.930 13.220 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.597 11.068 13.927 1.00 0.00 H new ATOM 0 HE ARG A 25 0.226 9.561 15.628 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.804 12.799 14.645 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.274 13.549 16.155 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.899 10.537 17.561 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.685 12.275 17.797 1.00 0.00 H new ATOM 398 N ILE A 26 -3.597 9.182 9.569 1.00 0.00 N ATOM 399 CA ILE A 26 -3.910 9.650 8.225 1.00 0.00 C ATOM 400 C ILE A 26 -5.323 10.223 8.161 1.00 0.00 C ATOM 401 O ILE A 26 -5.611 11.098 7.344 1.00 0.00 O ATOM 402 CB ILE A 26 -3.774 8.518 7.187 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.406 7.846 7.310 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.978 9.060 5.780 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.244 8.796 7.116 1.00 0.00 C ATOM 0 H ILE A 26 -3.575 8.167 9.668 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.192 10.434 7.986 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.544 7.772 7.383 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.325 7.383 8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.336 7.045 6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.879 8.248 5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.973 9.497 5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.228 9.823 5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.306 8.249 7.217 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.299 9.241 6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.288 9.583 7.869 1.00 0.00 H new ATOM 417 N LYS A 27 -6.200 9.726 9.029 1.00 0.00 N ATOM 418 CA LYS A 27 -7.581 10.191 9.068 1.00 0.00 C ATOM 419 C LYS A 27 -7.727 11.376 10.021 1.00 0.00 C ATOM 420 O LYS A 27 -8.544 12.268 9.795 1.00 0.00 O ATOM 421 CB LYS A 27 -8.512 9.058 9.501 1.00 0.00 C ATOM 422 CG LYS A 27 -9.986 9.427 9.439 1.00 0.00 C ATOM 423 CD LYS A 27 -10.831 8.269 8.932 1.00 0.00 C ATOM 424 CE LYS A 27 -12.300 8.458 9.277 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.180 7.576 8.463 1.00 0.00 N ATOM 0 H LYS A 27 -5.978 9.003 9.713 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.858 10.515 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.336 8.190 8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.262 8.762 10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.330 9.723 10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.119 10.289 8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.718 8.181 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.471 7.337 9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.454 8.247 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.580 9.499 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.173 7.735 8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.052 7.794 7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.931 6.581 8.637 1.00 0.00 H new ATOM 439 N ALA A 28 -6.926 11.376 11.082 1.00 0.00 N ATOM 440 CA ALA A 28 -6.965 12.450 12.067 1.00 0.00 C ATOM 441 C ALA A 28 -6.431 13.751 11.478 1.00 0.00 C ATOM 442 O ALA A 28 -6.962 14.829 11.742 1.00 0.00 O ATOM 443 CB ALA A 28 -6.169 12.062 13.303 1.00 0.00 C ATOM 0 H ALA A 28 -6.243 10.645 11.281 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.004 12.610 12.354 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.207 12.873 14.030 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.596 11.161 13.743 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.132 11.873 13.024 1.00 0.00 H new ATOM 449 N PHE A 29 -5.374 13.643 10.677 1.00 0.00 N ATOM 450 CA PHE A 29 -4.768 14.810 10.049 1.00 0.00 C ATOM 451 C PHE A 29 -5.563 15.238 8.821 1.00 0.00 C ATOM 452 O PHE A 29 -5.715 16.430 8.551 1.00 0.00 O ATOM 453 CB PHE A 29 -3.320 14.511 9.657 1.00 0.00 C ATOM 454 CG PHE A 29 -2.338 14.729 10.773 1.00 0.00 C ATOM 455 CD1 PHE A 29 -2.151 15.992 11.312 1.00 0.00 C ATOM 456 CD2 PHE A 29 -1.602 13.671 11.284 1.00 0.00 C ATOM 457 CE1 PHE A 29 -1.248 16.196 12.339 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.699 13.869 12.311 1.00 0.00 C ATOM 459 CZ PHE A 29 -0.523 15.132 12.839 1.00 0.00 C ATOM 0 H PHE A 29 -4.921 12.758 10.449 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.779 15.627 10.770 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.250 13.477 9.319 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.043 15.142 8.812 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.717 16.827 10.925 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.736 12.681 10.875 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.110 17.185 12.749 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.132 13.036 12.700 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.181 15.288 13.643 1.00 0.00 H new ATOM 469 N GLY A 30 -6.074 14.258 8.082 1.00 0.00 N ATOM 470 CA GLY A 30 -6.852 14.553 6.893 1.00 0.00 C ATOM 471 C GLY A 30 -5.997 14.673 5.646 1.00 0.00 C ATOM 472 O GLY A 30 -6.214 15.561 4.821 1.00 0.00 O ATOM 0 H GLY A 30 -5.963 13.265 8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.593 13.768 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.399 15.484 7.044 1.00 0.00 H new ATOM 476 N LEU A 31 -5.023 13.778 5.506 1.00 0.00 N ATOM 477 CA LEU A 31 -4.138 13.791 4.347 1.00 0.00 C ATOM 478 C LEU A 31 -4.578 12.754 3.318 1.00 0.00 C ATOM 479 O LEU A 31 -3.777 11.938 2.857 1.00 0.00 O ATOM 480 CB LEU A 31 -2.692 13.530 4.773 1.00 0.00 C ATOM 481 CG LEU A 31 -2.485 12.278 5.630 1.00 0.00 C ATOM 482 CD1 LEU A 31 -1.180 11.585 5.263 1.00 0.00 C ATOM 483 CD2 LEU A 31 -2.504 12.639 7.108 1.00 0.00 C ATOM 0 H LEU A 31 -4.828 13.037 6.179 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.195 14.778 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.075 13.445 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.331 14.396 5.328 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.304 11.586 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.052 10.698 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.206 11.293 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.346 12.267 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.356 11.739 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.705 13.350 7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.465 13.087 7.361 1.00 0.00 H new ATOM 495 N GLN A 32 -5.857 12.792 2.961 1.00 0.00 N ATOM 496 CA GLN A 32 -6.408 11.858 1.986 1.00 0.00 C ATOM 497 C GLN A 32 -5.985 12.223 0.563 1.00 0.00 C ATOM 498 O GLN A 32 -6.276 11.494 -0.385 1.00 0.00 O ATOM 499 CB GLN A 32 -7.934 11.829 2.082 1.00 0.00 C ATOM 500 CG GLN A 32 -8.462 10.806 3.075 1.00 0.00 C ATOM 501 CD GLN A 32 -9.938 10.984 3.366 1.00 0.00 C ATOM 502 OE1 GLN A 32 -10.748 11.153 2.454 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.298 10.949 4.645 1.00 0.00 N ATOM 0 H GLN A 32 -6.532 13.460 3.333 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.013 10.868 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.291 12.818 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.348 11.614 1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.291 9.803 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.900 10.885 4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.594 10.807 5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.278 11.065 4.902 1.00 0.00 H new ATOM 512 N ASP A 33 -5.296 13.355 0.416 1.00 0.00 N ATOM 513 CA ASP A 33 -4.839 13.803 -0.894 1.00 0.00 C ATOM 514 C ASP A 33 -3.576 13.057 -1.312 1.00 0.00 C ATOM 515 O ASP A 33 -3.280 12.936 -2.501 1.00 0.00 O ATOM 516 CB ASP A 33 -4.581 15.312 -0.878 1.00 0.00 C ATOM 517 CG ASP A 33 -5.454 16.060 -1.865 1.00 0.00 C ATOM 518 OD1 ASP A 33 -5.895 15.438 -2.857 1.00 0.00 O ATOM 519 OD2 ASP A 33 -5.698 17.264 -1.649 1.00 0.00 O ATOM 0 H ASP A 33 -5.044 13.974 1.186 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.621 13.586 -1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.760 15.697 0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.533 15.501 -1.109 1.00 0.00 H new ATOM 524 N LYS A 34 -2.835 12.554 -0.328 1.00 0.00 N ATOM 525 CA LYS A 34 -1.608 11.816 -0.598 1.00 0.00 C ATOM 526 C LYS A 34 -1.884 10.317 -0.653 1.00 0.00 C ATOM 527 O LYS A 34 -1.524 9.644 -1.619 1.00 0.00 O ATOM 528 CB LYS A 34 -0.560 12.117 0.476 1.00 0.00 C ATOM 529 CG LYS A 34 0.187 13.419 0.247 1.00 0.00 C ATOM 530 CD LYS A 34 1.281 13.260 -0.798 1.00 0.00 C ATOM 531 CE LYS A 34 1.358 14.471 -1.713 1.00 0.00 C ATOM 532 NZ LYS A 34 2.414 14.316 -2.752 1.00 0.00 N ATOM 0 H LYS A 34 -3.064 12.645 0.662 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.223 12.134 -1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.049 12.155 1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.158 11.297 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.514 14.190 -0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.626 13.757 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.241 13.116 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.091 12.366 -1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.393 14.623 -2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.561 15.362 -1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.104 15.089 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.897 13.404 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.979 14.346 -3.696 1.00 0.00 H new ATOM 546 N ILE A 35 -2.533 9.802 0.386 1.00 0.00 N ATOM 547 CA ILE A 35 -2.867 8.385 0.455 1.00 0.00 C ATOM 548 C ILE A 35 -4.285 8.140 -0.050 1.00 0.00 C ATOM 549 O ILE A 35 -5.257 8.554 0.582 1.00 0.00 O ATOM 550 CB ILE A 35 -2.744 7.846 1.893 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.396 8.245 2.496 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.910 6.333 1.909 1.00 0.00 C ATOM 553 CD1 ILE A 35 -1.218 7.793 3.929 1.00 0.00 C ATOM 0 H ILE A 35 -2.838 10.346 1.193 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.156 7.856 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.537 8.285 2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.596 7.823 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.293 9.329 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.820 5.968 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.892 6.070 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.137 5.876 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.240 8.110 4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.997 8.236 4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.289 6.706 3.979 1.00 0.00 H new ATOM 565 N PHE A 36 -4.400 7.474 -1.195 1.00 0.00 N ATOM 566 CA PHE A 36 -5.704 7.189 -1.785 1.00 0.00 C ATOM 567 C PHE A 36 -6.119 5.744 -1.543 1.00 0.00 C ATOM 568 O PHE A 36 -7.156 5.481 -0.935 1.00 0.00 O ATOM 569 CB PHE A 36 -5.684 7.465 -3.289 1.00 0.00 C ATOM 570 CG PHE A 36 -4.904 8.690 -3.668 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.464 9.952 -3.551 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.608 8.576 -4.140 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.742 11.079 -3.898 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.883 9.697 -4.488 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.450 10.951 -4.368 1.00 0.00 C ATOM 0 H PHE A 36 -3.608 7.122 -1.732 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.430 7.845 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.260 6.602 -3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.709 7.574 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.475 10.056 -3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.159 7.598 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.188 12.058 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.872 9.594 -4.854 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.884 11.829 -4.641 1.00 0.00 H new ATOM 585 N GLN A 37 -5.315 4.811 -2.038 1.00 0.00 N ATOM 586 CA GLN A 37 -5.619 3.393 -1.885 1.00 0.00 C ATOM 587 C GLN A 37 -4.774 2.755 -0.786 1.00 0.00 C ATOM 588 O GLN A 37 -3.553 2.901 -0.760 1.00 0.00 O ATOM 589 CB GLN A 37 -5.404 2.664 -3.214 1.00 0.00 C ATOM 590 CG GLN A 37 -6.687 2.127 -3.823 1.00 0.00 C ATOM 591 CD GLN A 37 -6.911 2.609 -5.245 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.053 2.172 -6.159 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -7.844 3.363 -5.516 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.453 5.008 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.665 3.302 -1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.933 3.346 -3.922 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.711 1.837 -3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.660 1.037 -3.814 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.532 2.430 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.479 3.673 -4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.983 3.678 -6.476 1.00 0.00 H new ATOM 602 N VAL A 38 -5.441 2.040 0.116 1.00 0.00 N ATOM 603 CA VAL A 38 -4.767 1.366 1.218 1.00 0.00 C ATOM 604 C VAL A 38 -5.134 -0.116 1.243 1.00 0.00 C ATOM 605 O VAL A 38 -5.889 -0.569 2.104 1.00 0.00 O ATOM 606 CB VAL A 38 -5.125 2.008 2.574 1.00 0.00 C ATOM 607 CG1 VAL A 38 -6.625 1.945 2.820 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.362 1.337 3.707 1.00 0.00 C ATOM 0 H VAL A 38 -6.453 1.913 0.103 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.694 1.471 1.058 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.830 3.057 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.856 2.403 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.147 2.482 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.949 0.904 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.630 1.806 4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.618 0.278 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.291 1.446 3.539 1.00 0.00 H new ATOM 618 N LEU A 39 -4.598 -0.863 0.285 1.00 0.00 N ATOM 619 CA LEU A 39 -4.869 -2.293 0.179 1.00 0.00 C ATOM 620 C LEU A 39 -3.953 -3.091 1.100 1.00 0.00 C ATOM 621 O LEU A 39 -2.745 -2.863 1.141 1.00 0.00 O ATOM 622 CB LEU A 39 -4.694 -2.750 -1.274 1.00 0.00 C ATOM 623 CG LEU A 39 -5.221 -4.151 -1.610 1.00 0.00 C ATOM 624 CD1 LEU A 39 -4.167 -5.207 -1.305 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.510 -4.447 -0.854 1.00 0.00 C ATOM 0 H LEU A 39 -3.970 -0.501 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.898 -2.474 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.195 -2.031 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.632 -2.715 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.442 -4.181 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.559 -6.194 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.275 -5.013 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.911 -5.171 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.861 -5.446 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.323 -4.393 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.269 -3.714 -1.128 1.00 0.00 H new ATOM 637 N ILE A 40 -4.540 -4.029 1.834 1.00 0.00 N ATOM 638 CA ILE A 40 -3.779 -4.865 2.755 1.00 0.00 C ATOM 639 C ILE A 40 -3.683 -6.300 2.240 1.00 0.00 C ATOM 640 O ILE A 40 -4.701 -6.931 1.962 1.00 0.00 O ATOM 641 CB ILE A 40 -4.405 -4.879 4.164 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.927 -5.061 4.075 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.048 -3.604 4.918 1.00 0.00 C ATOM 644 CD1 ILE A 40 -6.695 -3.771 3.857 1.00 0.00 C ATOM 0 H ILE A 40 -5.540 -4.230 1.809 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.781 -4.432 2.818 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.997 -5.724 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.153 -5.748 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.280 -5.530 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.498 -3.630 5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.965 -3.528 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.426 -2.740 4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.762 -3.987 3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.502 -3.089 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.373 -3.309 2.924 1.00 0.00 H new ATOM 656 N PRO A 41 -2.452 -6.831 2.096 1.00 0.00 N ATOM 657 CA PRO A 41 -2.218 -8.198 1.603 1.00 0.00 C ATOM 658 C PRO A 41 -3.067 -9.249 2.312 1.00 0.00 C ATOM 659 O PRO A 41 -2.574 -9.982 3.170 1.00 0.00 O ATOM 660 CB PRO A 41 -0.740 -8.427 1.913 1.00 0.00 C ATOM 661 CG PRO A 41 -0.134 -7.071 1.863 1.00 0.00 C ATOM 662 CD PRO A 41 -1.183 -6.133 2.393 1.00 0.00 C ATOM 0 HA PRO A 41 -2.483 -8.293 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.607 -8.885 2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.280 -9.094 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.772 -7.025 2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.148 -6.806 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.062 -5.958 3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.136 -5.160 1.903 1.00 0.00 H new ATOM 670 N THR A 42 -4.342 -9.329 1.941 1.00 0.00 N ATOM 671 CA THR A 42 -5.255 -10.295 2.539 1.00 0.00 C ATOM 672 C THR A 42 -6.448 -10.550 1.624 1.00 0.00 C ATOM 673 O THR A 42 -6.836 -9.685 0.839 1.00 0.00 O ATOM 674 CB THR A 42 -5.744 -9.795 3.899 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.278 -8.489 3.791 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.656 -9.761 4.951 1.00 0.00 C ATOM 0 H THR A 42 -4.765 -8.735 1.228 1.00 0.00 H new ATOM 0 HA THR A 42 -4.714 -11.231 2.677 1.00 0.00 H new ATOM 0 HB THR A 42 -6.507 -10.508 4.211 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.716 -7.954 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.070 -9.397 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.257 -10.765 5.095 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.856 -9.096 4.626 1.00 0.00 H new ATOM 948 N LYS A 59 -8.264 -13.761 4.519 1.00 0.00 N ATOM 949 CA LYS A 59 -7.035 -14.533 4.388 1.00 0.00 C ATOM 950 C LYS A 59 -5.816 -13.614 4.394 1.00 0.00 C ATOM 951 O LYS A 59 -5.914 -12.447 4.767 1.00 0.00 O ATOM 952 CB LYS A 59 -7.064 -15.359 3.100 1.00 0.00 C ATOM 953 CG LYS A 59 -6.424 -16.729 3.236 1.00 0.00 C ATOM 954 CD LYS A 59 -7.465 -17.812 3.471 1.00 0.00 C ATOM 955 CE LYS A 59 -6.841 -19.197 3.463 1.00 0.00 C ATOM 956 NZ LYS A 59 -7.730 -20.204 2.820 1.00 0.00 N ATOM 0 HA LYS A 59 -6.962 -15.208 5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.099 -15.482 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.552 -14.806 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.857 -16.958 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.715 -16.719 4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.960 -17.641 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.233 -17.753 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.889 -19.163 2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.626 -19.504 4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.267 -21.135 2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.629 -20.256 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.915 -19.925 1.835 1.00 0.00 H new ATOM 970 N LYS A 60 -4.670 -14.145 3.981 1.00 0.00 N ATOM 971 CA LYS A 60 -3.437 -13.368 3.943 1.00 0.00 C ATOM 972 C LYS A 60 -2.631 -13.687 2.687 1.00 0.00 C ATOM 973 O LYS A 60 -2.134 -14.801 2.522 1.00 0.00 O ATOM 974 CB LYS A 60 -2.592 -13.646 5.188 1.00 0.00 C ATOM 975 CG LYS A 60 -2.456 -15.124 5.513 1.00 0.00 C ATOM 976 CD LYS A 60 -1.752 -15.338 6.844 1.00 0.00 C ATOM 977 CE LYS A 60 -1.195 -16.748 6.960 1.00 0.00 C ATOM 978 NZ LYS A 60 -0.097 -16.833 7.962 1.00 0.00 N ATOM 0 H LYS A 60 -4.570 -15.111 3.668 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.705 -12.312 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.598 -13.221 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.038 -13.134 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.444 -15.583 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.898 -15.622 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.942 -14.616 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.451 -15.153 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.996 -17.432 7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.824 -17.073 5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.254 -17.811 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.679 -16.200 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.456 -16.548 8.896 1.00 0.00 H new ATOM 992 N LEU A 61 -2.506 -12.701 1.804 1.00 0.00 N ATOM 993 CA LEU A 61 -1.760 -12.877 0.562 1.00 0.00 C ATOM 994 C LEU A 61 -0.274 -12.621 0.782 1.00 0.00 C ATOM 995 O LEU A 61 0.571 -13.413 0.363 1.00 0.00 O ATOM 996 CB LEU A 61 -2.297 -11.937 -0.516 1.00 0.00 C ATOM 997 CG LEU A 61 -3.679 -12.301 -1.060 1.00 0.00 C ATOM 998 CD1 LEU A 61 -4.517 -11.052 -1.272 1.00 0.00 C ATOM 999 CD2 LEU A 61 -3.552 -13.088 -2.357 1.00 0.00 C ATOM 0 H LEU A 61 -2.911 -11.773 1.925 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.888 -13.908 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.338 -10.927 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.590 -11.918 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.182 -12.929 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.496 -11.332 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.638 -10.530 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.019 -10.396 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.545 -13.338 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.028 -12.485 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.992 -14.005 -2.173 1.00 0.00 H new ATOM 1011 N PHE A 62 0.041 -11.515 1.448 1.00 0.00 N ATOM 1012 CA PHE A 62 1.428 -11.164 1.729 1.00 0.00 C ATOM 1013 C PHE A 62 1.579 -10.685 3.171 1.00 0.00 C ATOM 1014 O PHE A 62 1.552 -9.484 3.442 1.00 0.00 O ATOM 1015 CB PHE A 62 1.925 -10.083 0.763 1.00 0.00 C ATOM 1016 CG PHE A 62 1.553 -10.323 -0.675 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.274 -10.044 -1.137 1.00 0.00 C ATOM 1018 CD2 PHE A 62 2.486 -10.822 -1.570 1.00 0.00 C ATOM 1019 CE1 PHE A 62 -0.064 -10.258 -2.459 1.00 0.00 C ATOM 1020 CE2 PHE A 62 2.154 -11.037 -2.894 1.00 0.00 C ATOM 1021 CZ PHE A 62 0.877 -10.755 -3.339 1.00 0.00 C ATOM 0 H PHE A 62 -0.644 -10.848 1.803 1.00 0.00 H new ATOM 0 HA PHE A 62 2.035 -12.059 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.522 -9.120 1.075 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.010 -10.014 0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.466 -9.655 -0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.486 -11.046 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.063 -10.037 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.892 -11.425 -3.580 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.615 -10.923 -4.373 1.00 0.00 H new ATOM 1031 N PRO A 63 1.737 -11.625 4.120 1.00 0.00 N ATOM 1032 CA PRO A 63 1.885 -11.297 5.543 1.00 0.00 C ATOM 1033 C PRO A 63 3.055 -10.356 5.806 1.00 0.00 C ATOM 1034 O PRO A 63 4.110 -10.468 5.181 1.00 0.00 O ATOM 1035 CB PRO A 63 2.139 -12.657 6.203 1.00 0.00 C ATOM 1036 CG PRO A 63 1.574 -13.657 5.252 1.00 0.00 C ATOM 1037 CD PRO A 63 1.774 -13.079 3.881 1.00 0.00 C ATOM 0 HA PRO A 63 1.008 -10.777 5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.204 -12.824 6.366 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.654 -12.720 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.080 -14.617 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.517 -13.832 5.452 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.724 -13.392 3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.990 -13.394 3.193 1.00 0.00 H new ATOM 1045 N GLY A 64 2.861 -9.429 6.739 1.00 0.00 N ATOM 1046 CA GLY A 64 3.908 -8.482 7.077 1.00 0.00 C ATOM 1047 C GLY A 64 4.077 -7.386 6.039 1.00 0.00 C ATOM 1048 O GLY A 64 4.985 -6.564 6.144 1.00 0.00 O ATOM 0 H GLY A 64 1.996 -9.317 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.682 -8.029 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.851 -9.017 7.189 1.00 0.00 H new ATOM 1052 N TYR A 65 3.204 -7.372 5.033 1.00 0.00 N ATOM 1053 CA TYR A 65 3.273 -6.366 3.980 1.00 0.00 C ATOM 1054 C TYR A 65 2.009 -5.513 3.957 1.00 0.00 C ATOM 1055 O TYR A 65 0.952 -5.940 4.421 1.00 0.00 O ATOM 1056 CB TYR A 65 3.471 -7.034 2.617 1.00 0.00 C ATOM 1057 CG TYR A 65 4.888 -7.502 2.369 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.523 -8.359 3.258 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.588 -7.088 1.242 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.817 -8.789 3.034 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.881 -7.515 1.011 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.491 -8.364 1.909 1.00 0.00 C ATOM 1063 OH TYR A 65 8.779 -8.791 1.682 1.00 0.00 O ATOM 0 H TYR A 65 2.444 -8.044 4.927 1.00 0.00 H new ATOM 0 HA TYR A 65 4.125 -5.719 4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.797 -7.887 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.187 -6.331 1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.997 -8.695 4.139 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.114 -6.422 0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.298 -9.454 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.412 -7.185 0.130 1.00 0.00 H new ATOM 0 HH TYR A 65 9.346 -8.021 1.467 1.00 0.00 H new ATOM 1073 N LEU A 66 2.124 -4.308 3.409 1.00 0.00 N ATOM 1074 CA LEU A 66 0.990 -3.394 3.320 1.00 0.00 C ATOM 1075 C LEU A 66 1.128 -2.480 2.107 1.00 0.00 C ATOM 1076 O LEU A 66 1.962 -1.577 2.093 1.00 0.00 O ATOM 1077 CB LEU A 66 0.875 -2.558 4.594 1.00 0.00 C ATOM 1078 CG LEU A 66 0.581 -3.352 5.868 1.00 0.00 C ATOM 1079 CD1 LEU A 66 1.875 -3.729 6.574 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -0.323 -2.555 6.796 1.00 0.00 C ATOM 0 H LEU A 66 2.992 -3.941 3.019 1.00 0.00 H new ATOM 0 HA LEU A 66 0.084 -3.989 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.806 -2.008 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.086 -1.819 4.455 1.00 0.00 H new ATOM 0 HG LEU A 66 0.063 -4.270 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.645 -4.293 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.487 -4.340 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.421 -2.824 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.522 -3.135 7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.167 -1.620 7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.264 -2.338 6.290 1.00 0.00 H new ATOM 1092 N PHE A 67 0.307 -2.724 1.090 1.00 0.00 N ATOM 1093 CA PHE A 67 0.342 -1.925 -0.130 1.00 0.00 C ATOM 1094 C PHE A 67 -0.442 -0.626 0.041 1.00 0.00 C ATOM 1095 O PHE A 67 -1.624 -0.644 0.386 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.226 -2.722 -1.307 1.00 0.00 C ATOM 1097 CG PHE A 67 0.235 -4.152 -1.352 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.562 -4.473 -1.122 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.660 -5.172 -1.632 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.988 -5.789 -1.167 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.241 -6.487 -1.679 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.086 -6.796 -1.447 1.00 0.00 C ATOM 0 H PHE A 67 -0.390 -3.468 1.087 1.00 0.00 H new ATOM 0 HA PHE A 67 1.383 -1.676 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.315 -2.703 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.057 -2.230 -2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.272 -3.688 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.698 -4.936 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.025 -6.028 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.949 -7.273 -1.897 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.417 -7.823 -1.485 1.00 0.00 H new ATOM 1112 N ILE A 68 0.224 0.499 -0.207 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.411 1.807 -0.079 1.00 0.00 C ATOM 1114 C ILE A 68 -0.222 2.638 -1.346 1.00 0.00 C ATOM 1115 O ILE A 68 0.896 3.029 -1.680 1.00 0.00 O ATOM 1116 CB ILE A 68 0.149 2.603 1.119 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.386 1.686 2.323 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.796 3.736 1.487 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.841 1.589 2.727 1.00 0.00 C ATOM 0 H ILE A 68 1.201 0.531 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.472 1.618 0.084 1.00 0.00 H new ATOM 0 HB ILE A 68 1.109 3.030 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.195 2.053 3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.014 0.688 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.389 4.289 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.909 4.407 0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.769 3.325 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.937 0.924 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.424 1.194 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.212 2.579 2.992 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.321 2.914 -2.040 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.274 3.710 -3.262 1.00 0.00 C ATOM 1133 C GLN A 69 -1.212 5.195 -2.925 1.00 0.00 C ATOM 1134 O GLN A 69 -2.182 5.929 -3.118 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.499 3.427 -4.130 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.268 3.682 -5.611 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.554 3.642 -6.417 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.559 4.387 -5.970 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -3.642 2.949 -7.430 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.255 2.599 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.377 3.435 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.800 2.389 -3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.327 4.047 -3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.793 4.655 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.576 2.936 -6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.845 2.392 -7.738 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.512 2.932 -7.962 1.00 0.00 H new ATOM 1148 N MET A 70 -0.065 5.627 -2.407 1.00 0.00 N ATOM 1149 CA MET A 70 0.129 7.024 -2.031 1.00 0.00 C ATOM 1150 C MET A 70 0.713 7.834 -3.184 1.00 0.00 C ATOM 1151 O MET A 70 0.883 7.324 -4.292 1.00 0.00 O ATOM 1152 CB MET A 70 1.039 7.123 -0.806 1.00 0.00 C ATOM 1153 CG MET A 70 2.431 6.556 -1.032 1.00 0.00 C ATOM 1154 SD MET A 70 3.570 6.956 0.308 1.00 0.00 S ATOM 1155 CE MET A 70 3.782 5.347 1.065 1.00 0.00 C ATOM 0 H MET A 70 0.744 5.029 -2.238 1.00 0.00 H new ATOM 0 HA MET A 70 -0.847 7.441 -1.786 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.126 8.169 -0.512 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.572 6.596 0.026 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.365 5.473 -1.137 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.829 6.943 -1.970 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.730 5.445 2.149 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.993 4.677 0.723 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.752 4.938 0.784 1.00 0.00 H new ATOM 1165 N ASP A 71 1.024 9.098 -2.911 1.00 0.00 N ATOM 1166 CA ASP A 71 1.596 9.984 -3.920 1.00 0.00 C ATOM 1167 C ASP A 71 2.917 10.573 -3.435 1.00 0.00 C ATOM 1168 O ASP A 71 2.940 11.614 -2.779 1.00 0.00 O ATOM 1169 CB ASP A 71 0.619 11.112 -4.254 1.00 0.00 C ATOM 1170 CG ASP A 71 1.078 11.942 -5.438 1.00 0.00 C ATOM 1171 OD1 ASP A 71 0.977 11.450 -6.581 1.00 0.00 O ATOM 1172 OD2 ASP A 71 1.536 13.083 -5.221 1.00 0.00 O ATOM 0 H ASP A 71 0.889 9.532 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 71 1.783 9.397 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.362 10.688 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.503 11.758 -3.384 1.00 0.00 H new ATOM 1177 N LEU A 72 4.016 9.900 -3.761 1.00 0.00 N ATOM 1178 CA LEU A 72 5.340 10.359 -3.355 1.00 0.00 C ATOM 1179 C LEU A 72 6.000 11.170 -4.467 1.00 0.00 C ATOM 1180 O LEU A 72 6.366 12.329 -4.269 1.00 0.00 O ATOM 1181 CB LEU A 72 6.224 9.168 -2.986 1.00 0.00 C ATOM 1182 CG LEU A 72 6.044 8.644 -1.561 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.770 7.320 -1.382 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.543 9.667 -0.551 1.00 0.00 C ATOM 0 H LEU A 72 4.016 9.037 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 72 5.222 11.001 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.022 8.355 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.267 9.453 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 72 4.981 8.478 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.630 6.963 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.367 6.587 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.834 7.459 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.407 9.278 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.601 9.864 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.979 10.593 -0.662 1.00 0.00 H new ATOM 1245 N GLU A 77 13.453 12.084 -1.558 1.00 0.00 N ATOM 1246 CA GLU A 77 12.807 12.973 -0.599 1.00 0.00 C ATOM 1247 C GLU A 77 11.296 12.747 -0.568 1.00 0.00 C ATOM 1248 O GLU A 77 10.558 13.326 -1.366 1.00 0.00 O ATOM 1249 CB GLU A 77 13.106 14.432 -0.943 1.00 0.00 C ATOM 1250 CG GLU A 77 12.848 14.778 -2.401 1.00 0.00 C ATOM 1251 CD GLU A 77 12.139 16.108 -2.567 1.00 0.00 C ATOM 1252 OE1 GLU A 77 11.331 16.466 -1.685 1.00 0.00 O ATOM 1253 OE2 GLU A 77 12.391 16.791 -3.583 1.00 0.00 O ATOM 0 HA GLU A 77 13.208 12.747 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.496 15.078 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.148 14.646 -0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.796 14.806 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.248 13.991 -2.857 1.00 0.00 H new ATOM 1260 N PRO A 78 10.813 11.899 0.356 1.00 0.00 N ATOM 1261 CA PRO A 78 9.383 11.601 0.487 1.00 0.00 C ATOM 1262 C PRO A 78 8.570 12.832 0.879 1.00 0.00 C ATOM 1263 O PRO A 78 9.129 13.880 1.202 1.00 0.00 O ATOM 1264 CB PRO A 78 9.325 10.547 1.602 1.00 0.00 C ATOM 1265 CG PRO A 78 10.718 10.029 1.730 1.00 0.00 C ATOM 1266 CD PRO A 78 11.617 11.167 1.345 1.00 0.00 C ATOM 0 HA PRO A 78 8.956 11.260 -0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.981 10.985 2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.630 9.746 1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.920 9.699 2.749 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.876 9.169 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.869 11.791 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.557 10.814 0.920 1.00 0.00 H new ATOM 1274 N ASN A 79 7.248 12.695 0.852 1.00 0.00 N ATOM 1275 CA ASN A 79 6.358 13.794 1.207 1.00 0.00 C ATOM 1276 C ASN A 79 6.041 13.774 2.699 1.00 0.00 C ATOM 1277 O ASN A 79 6.555 12.939 3.442 1.00 0.00 O ATOM 1278 CB ASN A 79 5.064 13.711 0.396 1.00 0.00 C ATOM 1279 CG ASN A 79 4.495 15.078 0.068 1.00 0.00 C ATOM 1280 OD1 ASN A 79 3.317 15.346 0.306 1.00 0.00 O ATOM 1281 ND2 ASN A 79 5.331 15.954 -0.481 1.00 0.00 N ATOM 0 H ASN A 79 6.770 11.834 0.588 1.00 0.00 H new ATOM 0 HA ASN A 79 6.864 14.731 0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.254 13.168 -0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.325 13.138 0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.004 16.890 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 79 6.300 15.691 -0.661 1.00 0.00 H new ATOM 1288 N GLU A 80 5.189 14.700 3.132 1.00 0.00 N ATOM 1289 CA GLU A 80 4.802 14.789 4.535 1.00 0.00 C ATOM 1290 C GLU A 80 4.179 13.481 5.016 1.00 0.00 C ATOM 1291 O GLU A 80 4.268 13.139 6.197 1.00 0.00 O ATOM 1292 CB GLU A 80 3.816 15.940 4.740 1.00 0.00 C ATOM 1293 CG GLU A 80 3.599 16.301 6.199 1.00 0.00 C ATOM 1294 CD GLU A 80 2.279 17.011 6.434 1.00 0.00 C ATOM 1295 OE1 GLU A 80 1.382 16.897 5.573 1.00 0.00 O ATOM 1296 OE2 GLU A 80 2.144 17.681 7.480 1.00 0.00 O ATOM 0 H GLU A 80 4.754 15.399 2.530 1.00 0.00 H new ATOM 0 HA GLU A 80 5.701 14.978 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.180 16.818 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.858 15.671 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.632 15.394 6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.416 16.939 6.537 1.00 0.00 H new ATOM 1303 N ALA A 81 3.551 12.755 4.098 1.00 0.00 N ATOM 1304 CA ALA A 81 2.912 11.486 4.430 1.00 0.00 C ATOM 1305 C ALA A 81 3.894 10.535 5.108 1.00 0.00 C ATOM 1306 O ALA A 81 3.545 9.849 6.068 1.00 0.00 O ATOM 1307 CB ALA A 81 2.333 10.846 3.176 1.00 0.00 C ATOM 0 H ALA A 81 3.470 13.023 3.117 1.00 0.00 H new ATOM 0 HA ALA A 81 2.102 11.687 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.859 9.900 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.593 11.514 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.132 10.666 2.457 1.00 0.00 H new ATOM 1313 N TRP A 82 5.124 10.502 4.604 1.00 0.00 N ATOM 1314 CA TRP A 82 6.155 9.636 5.164 1.00 0.00 C ATOM 1315 C TRP A 82 6.413 9.974 6.629 1.00 0.00 C ATOM 1316 O TRP A 82 6.608 9.085 7.457 1.00 0.00 O ATOM 1317 CB TRP A 82 7.452 9.765 4.364 1.00 0.00 C ATOM 1318 CG TRP A 82 8.372 8.595 4.530 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.696 8.633 4.861 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.037 7.211 4.373 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.205 7.358 4.919 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.205 6.468 4.623 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.862 6.530 4.045 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.233 5.077 4.557 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.889 5.149 3.979 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.068 4.435 4.234 1.00 0.00 C ATOM 0 H TRP A 82 5.430 11.064 3.810 1.00 0.00 H new ATOM 0 HA TRP A 82 5.800 8.607 5.103 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.209 9.879 3.308 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.971 10.673 4.672 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.261 9.534 5.050 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.169 7.114 5.145 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.949 7.072 3.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.140 4.525 4.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.987 4.612 3.727 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.057 3.357 4.174 1.00 0.00 H new ATOM 1337 N GLU A 83 6.412 11.266 6.940 1.00 0.00 N ATOM 1338 CA GLU A 83 6.644 11.723 8.305 1.00 0.00 C ATOM 1339 C GLU A 83 5.544 11.229 9.238 1.00 0.00 C ATOM 1340 O GLU A 83 5.810 10.831 10.372 1.00 0.00 O ATOM 1341 CB GLU A 83 6.719 13.250 8.348 1.00 0.00 C ATOM 1342 CG GLU A 83 7.547 13.786 9.505 1.00 0.00 C ATOM 1343 CD GLU A 83 6.748 13.903 10.788 1.00 0.00 C ATOM 1344 OE1 GLU A 83 5.797 14.714 10.823 1.00 0.00 O ATOM 1345 OE2 GLU A 83 7.072 13.186 11.757 1.00 0.00 O ATOM 0 H GLU A 83 6.253 12.015 6.266 1.00 0.00 H new ATOM 0 HA GLU A 83 7.594 11.310 8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.143 13.611 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.709 13.653 8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.400 13.129 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.946 14.765 9.239 1.00 0.00 H new ATOM 1352 N VAL A 84 4.308 11.258 8.753 1.00 0.00 N ATOM 1353 CA VAL A 84 3.164 10.813 9.542 1.00 0.00 C ATOM 1354 C VAL A 84 3.247 9.319 9.831 1.00 0.00 C ATOM 1355 O VAL A 84 3.068 8.887 10.969 1.00 0.00 O ATOM 1356 CB VAL A 84 1.835 11.114 8.823 1.00 0.00 C ATOM 1357 CG1 VAL A 84 0.656 10.826 9.741 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.805 12.555 8.339 1.00 0.00 C ATOM 0 H VAL A 84 4.072 11.585 7.816 1.00 0.00 H new ATOM 0 HA VAL A 84 3.192 11.365 10.482 1.00 0.00 H new ATOM 0 HB VAL A 84 1.756 10.462 7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.275 11.044 9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.670 9.776 10.033 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.727 11.451 10.631 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.859 12.749 7.834 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.906 13.227 9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.628 12.723 7.645 1.00 0.00 H new ATOM 1368 N VAL A 85 3.520 8.534 8.794 1.00 0.00 N ATOM 1369 CA VAL A 85 3.628 7.088 8.938 1.00 0.00 C ATOM 1370 C VAL A 85 4.788 6.713 9.853 1.00 0.00 C ATOM 1371 O VAL A 85 4.649 5.865 10.732 1.00 0.00 O ATOM 1372 CB VAL A 85 3.822 6.400 7.574 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.738 4.887 7.721 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.799 6.904 6.570 1.00 0.00 C ATOM 0 H VAL A 85 3.670 8.876 7.845 1.00 0.00 H new ATOM 0 HA VAL A 85 2.693 6.743 9.380 1.00 0.00 H new ATOM 0 HB VAL A 85 4.815 6.650 7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.877 4.418 6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.516 4.544 8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.760 4.614 8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.953 6.406 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.795 6.688 6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.915 7.980 6.442 1.00 0.00 H new ATOM 1384 N ARG A 86 5.932 7.353 9.640 1.00 0.00 N ATOM 1385 CA ARG A 86 7.118 7.088 10.445 1.00 0.00 C ATOM 1386 C ARG A 86 6.857 7.401 11.916 1.00 0.00 C ATOM 1387 O ARG A 86 7.457 6.798 12.806 1.00 0.00 O ATOM 1388 CB ARG A 86 8.301 7.915 9.936 1.00 0.00 C ATOM 1389 CG ARG A 86 9.614 7.149 9.914 1.00 0.00 C ATOM 1390 CD ARG A 86 10.423 7.463 8.665 1.00 0.00 C ATOM 1391 NE ARG A 86 11.846 7.193 8.852 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.796 7.605 8.014 1.00 0.00 C ATOM 1393 NH1 ARG A 86 12.478 8.305 6.933 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.066 7.315 8.259 1.00 0.00 N ATOM 0 H ARG A 86 6.063 8.060 8.916 1.00 0.00 H new ATOM 0 HA ARG A 86 7.360 6.029 10.355 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.080 8.269 8.929 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.415 8.797 10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.198 7.401 10.799 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.413 6.079 9.959 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.048 6.869 7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.285 8.511 8.398 1.00 0.00 H new ATOM 0 HE ARG A 86 12.129 6.657 9.673 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.502 8.530 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.209 8.618 6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.315 6.777 9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.794 7.630 7.618 1.00 0.00 H new ATOM 1408 N GLY A 87 5.958 8.350 12.165 1.00 0.00 N ATOM 1409 CA GLY A 87 5.635 8.726 13.528 1.00 0.00 C ATOM 1410 C GLY A 87 4.750 7.706 14.219 1.00 0.00 C ATOM 1411 O GLY A 87 4.832 7.525 15.434 1.00 0.00 O ATOM 0 H GLY A 87 5.448 8.864 11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.557 8.846 14.096 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.134 9.694 13.525 1.00 0.00 H new ATOM 1415 N THR A 88 3.902 7.038 13.443 1.00 0.00 N ATOM 1416 CA THR A 88 3.000 6.031 13.989 1.00 0.00 C ATOM 1417 C THR A 88 3.784 4.894 14.641 1.00 0.00 C ATOM 1418 O THR A 88 4.454 4.121 13.956 1.00 0.00 O ATOM 1419 CB THR A 88 2.097 5.475 12.886 1.00 0.00 C ATOM 1420 OG1 THR A 88 2.828 4.625 12.020 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.452 6.550 12.039 1.00 0.00 C ATOM 0 H THR A 88 3.821 7.176 12.436 1.00 0.00 H new ATOM 0 HA THR A 88 2.382 6.507 14.751 1.00 0.00 H new ATOM 0 HB THR A 88 1.311 4.927 13.406 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.300 5.166 11.353 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.826 6.086 11.277 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.839 7.192 12.671 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.226 7.147 11.558 1.00 0.00 H new ATOM 1429 N PRO A 89 3.715 4.771 15.981 1.00 0.00 N ATOM 1430 CA PRO A 89 4.426 3.717 16.712 1.00 0.00 C ATOM 1431 C PRO A 89 4.182 2.334 16.119 1.00 0.00 C ATOM 1432 O PRO A 89 3.045 1.969 15.819 1.00 0.00 O ATOM 1433 CB PRO A 89 3.841 3.806 18.122 1.00 0.00 C ATOM 1434 CG PRO A 89 3.394 5.221 18.256 1.00 0.00 C ATOM 1435 CD PRO A 89 2.941 5.646 16.885 1.00 0.00 C ATOM 0 HA PRO A 89 5.507 3.854 16.676 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.009 3.114 18.250 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.586 3.553 18.877 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.583 5.307 18.979 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.206 5.855 18.612 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.868 5.508 16.756 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.151 6.700 16.701 1.00 0.00 H new ATOM 1443 N GLY A 90 5.257 1.570 15.950 1.00 0.00 N ATOM 1444 CA GLY A 90 5.136 0.236 15.390 1.00 0.00 C ATOM 1445 C GLY A 90 5.614 0.159 13.950 1.00 0.00 C ATOM 1446 O GLY A 90 5.772 -0.931 13.403 1.00 0.00 O ATOM 0 H GLY A 90 6.208 1.850 16.190 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.712 -0.462 15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.095 -0.082 15.440 1.00 0.00 H new ATOM 1450 N ILE A 91 5.842 1.317 13.336 1.00 0.00 N ATOM 1451 CA ILE A 91 6.302 1.369 11.954 1.00 0.00 C ATOM 1452 C ILE A 91 7.803 1.113 11.865 1.00 0.00 C ATOM 1453 O ILE A 91 8.584 1.653 12.650 1.00 0.00 O ATOM 1454 CB ILE A 91 5.981 2.733 11.305 1.00 0.00 C ATOM 1455 CG1 ILE A 91 6.340 2.715 9.819 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.721 3.852 12.022 1.00 0.00 C ATOM 1457 CD1 ILE A 91 5.609 1.648 9.031 1.00 0.00 C ATOM 0 H ILE A 91 5.716 2.230 13.774 1.00 0.00 H new ATOM 0 HA ILE A 91 5.771 0.586 11.413 1.00 0.00 H new ATOM 0 HB ILE A 91 4.911 2.917 11.398 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.116 3.691 9.388 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.414 2.560 9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.483 4.806 11.551 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.416 3.878 13.068 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.795 3.675 11.961 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.914 1.695 7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.852 0.666 9.436 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.534 1.814 9.104 1.00 0.00 H new ATOM 1567 N ARG A 100 14.642 3.513 2.976 1.00 0.00 N ATOM 1568 CA ARG A 100 13.832 4.054 1.890 1.00 0.00 C ATOM 1569 C ARG A 100 12.673 3.118 1.558 1.00 0.00 C ATOM 1570 O ARG A 100 12.748 1.913 1.800 1.00 0.00 O ATOM 1571 CB ARG A 100 14.692 4.280 0.646 1.00 0.00 C ATOM 1572 CG ARG A 100 15.615 5.483 0.752 1.00 0.00 C ATOM 1573 CD ARG A 100 17.006 5.087 1.223 1.00 0.00 C ATOM 1574 NE ARG A 100 17.984 5.129 0.139 1.00 0.00 N ATOM 1575 CZ ARG A 100 18.345 4.070 -0.586 1.00 0.00 C ATOM 1576 NH1 ARG A 100 17.813 2.876 -0.350 1.00 0.00 N ATOM 1577 NH2 ARG A 100 19.243 4.205 -1.552 1.00 0.00 N ATOM 0 HA ARG A 100 13.423 5.010 2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 100 15.291 3.388 0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.039 4.409 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.686 5.974 -0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 100 15.189 6.208 1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 100 17.322 5.757 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.974 4.082 1.643 1.00 0.00 H new ATOM 0 HE ARG A 100 18.419 6.026 -0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 100 17.122 2.763 0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 100 18.096 2.072 -0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 100 19.657 5.118 -1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 100 19.520 3.396 -2.107 1.00 0.00 H new ATOM 1591 N PRO A 101 11.582 3.662 0.992 1.00 0.00 N ATOM 1592 CA PRO A 101 10.404 2.868 0.625 1.00 0.00 C ATOM 1593 C PRO A 101 10.676 1.947 -0.560 1.00 0.00 C ATOM 1594 O PRO A 101 11.729 2.029 -1.193 1.00 0.00 O ATOM 1595 CB PRO A 101 9.364 3.925 0.251 1.00 0.00 C ATOM 1596 CG PRO A 101 10.161 5.110 -0.172 1.00 0.00 C ATOM 1597 CD PRO A 101 11.410 5.091 0.667 1.00 0.00 C ATOM 0 HA PRO A 101 10.088 2.209 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.717 3.576 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.720 4.163 1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.403 5.058 -1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.601 6.032 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.267 5.485 0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.299 5.697 1.566 1.00 0.00 H new ATOM 1605 N VAL A 102 9.723 1.067 -0.852 1.00 0.00 N ATOM 1606 CA VAL A 102 9.865 0.129 -1.960 1.00 0.00 C ATOM 1607 C VAL A 102 8.532 -0.083 -2.679 1.00 0.00 C ATOM 1608 O VAL A 102 7.674 -0.824 -2.200 1.00 0.00 O ATOM 1609 CB VAL A 102 10.392 -1.235 -1.477 1.00 0.00 C ATOM 1610 CG1 VAL A 102 11.872 -1.146 -1.137 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.590 -1.723 -0.279 1.00 0.00 C ATOM 0 H VAL A 102 8.846 0.984 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 102 10.584 0.567 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 102 10.272 -1.957 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.227 -2.119 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.431 -0.845 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.020 -0.410 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.976 -2.688 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.676 -1.002 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.542 -1.828 -0.561 1.00 0.00 H new ATOM 1621 N PRO A 103 8.341 0.563 -3.844 1.00 0.00 N ATOM 1622 CA PRO A 103 7.104 0.434 -4.620 1.00 0.00 C ATOM 1623 C PRO A 103 6.981 -0.934 -5.284 1.00 0.00 C ATOM 1624 O PRO A 103 7.978 -1.625 -5.493 1.00 0.00 O ATOM 1625 CB PRO A 103 7.232 1.531 -5.678 1.00 0.00 C ATOM 1626 CG PRO A 103 8.700 1.726 -5.843 1.00 0.00 C ATOM 1627 CD PRO A 103 9.309 1.469 -4.493 1.00 0.00 C ATOM 0 HA PRO A 103 6.217 0.530 -3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.764 1.233 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.744 2.451 -5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.103 1.041 -6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.923 2.737 -6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.294 1.010 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.436 2.392 -3.928 1.00 0.00 H new ATOM 1635 N LEU A 104 5.752 -1.320 -5.611 1.00 0.00 N ATOM 1636 CA LEU A 104 5.500 -2.607 -6.251 1.00 0.00 C ATOM 1637 C LEU A 104 5.556 -2.481 -7.771 1.00 0.00 C ATOM 1638 O LEU A 104 5.491 -1.380 -8.316 1.00 0.00 O ATOM 1639 CB LEU A 104 4.136 -3.152 -5.823 1.00 0.00 C ATOM 1640 CG LEU A 104 3.901 -3.194 -4.312 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.419 -3.341 -4.007 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.693 -4.329 -3.682 1.00 0.00 C ATOM 0 H LEU A 104 4.915 -0.761 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 104 6.278 -3.301 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.358 -2.540 -6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.023 -4.160 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 104 4.247 -2.254 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.271 -3.369 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.876 -2.494 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.047 -4.265 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.514 -4.344 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.377 -5.278 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.756 -4.180 -3.871 1.00 0.00 H new ATOM 1654 N SER A 105 5.678 -3.619 -8.449 1.00 0.00 N ATOM 1655 CA SER A 105 5.742 -3.637 -9.905 1.00 0.00 C ATOM 1656 C SER A 105 4.341 -3.677 -10.512 1.00 0.00 C ATOM 1657 O SER A 105 3.452 -4.349 -9.992 1.00 0.00 O ATOM 1658 CB SER A 105 6.553 -4.843 -10.386 1.00 0.00 C ATOM 1659 OG SER A 105 6.293 -5.983 -9.585 1.00 0.00 O ATOM 0 H SER A 105 5.734 -4.539 -8.013 1.00 0.00 H new ATOM 0 HA SER A 105 6.235 -2.722 -10.233 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.306 -5.060 -11.425 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.617 -4.607 -10.354 1.00 0.00 H new ATOM 0 HG SER A 105 6.821 -6.741 -9.913 1.00 0.00 H new ATOM 1665 N PRO A 106 4.123 -2.952 -11.625 1.00 0.00 N ATOM 1666 CA PRO A 106 2.821 -2.910 -12.297 1.00 0.00 C ATOM 1667 C PRO A 106 2.248 -4.302 -12.547 1.00 0.00 C ATOM 1668 O PRO A 106 1.033 -4.500 -12.506 1.00 0.00 O ATOM 1669 CB PRO A 106 3.130 -2.214 -13.623 1.00 0.00 C ATOM 1670 CG PRO A 106 4.321 -1.367 -13.336 1.00 0.00 C ATOM 1671 CD PRO A 106 5.130 -2.121 -12.315 1.00 0.00 C ATOM 0 HA PRO A 106 2.069 -2.399 -11.695 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.339 -2.938 -14.411 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.287 -1.611 -13.960 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.902 -1.191 -14.241 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.023 -0.391 -12.954 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.901 -2.732 -12.785 1.00 0.00 H new ATOM 0 HD3 PRO A 106 5.635 -1.446 -11.624 1.00 0.00 H new ATOM 1679 N ASP A 107 3.127 -5.261 -12.810 1.00 0.00 N ATOM 1680 CA ASP A 107 2.707 -6.633 -13.068 1.00 0.00 C ATOM 1681 C ASP A 107 2.162 -7.284 -11.800 1.00 0.00 C ATOM 1682 O ASP A 107 1.156 -7.993 -11.838 1.00 0.00 O ATOM 1683 CB ASP A 107 3.877 -7.455 -13.612 1.00 0.00 C ATOM 1684 CG ASP A 107 4.313 -6.998 -14.990 1.00 0.00 C ATOM 1685 OD1 ASP A 107 4.722 -5.826 -15.126 1.00 0.00 O ATOM 1686 OD2 ASP A 107 4.245 -7.814 -15.935 1.00 0.00 O ATOM 0 H ASP A 107 4.136 -5.114 -12.850 1.00 0.00 H new ATOM 0 HA ASP A 107 1.912 -6.607 -13.813 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.720 -7.382 -12.924 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.591 -8.506 -13.654 1.00 0.00 H new ATOM 1691 N GLU A 108 2.832 -7.039 -10.679 1.00 0.00 N ATOM 1692 CA GLU A 108 2.415 -7.603 -9.401 1.00 0.00 C ATOM 1693 C GLU A 108 1.291 -6.778 -8.781 1.00 0.00 C ATOM 1694 O GLU A 108 0.437 -7.309 -8.070 1.00 0.00 O ATOM 1695 CB GLU A 108 3.602 -7.673 -8.438 1.00 0.00 C ATOM 1696 CG GLU A 108 4.625 -8.735 -8.809 1.00 0.00 C ATOM 1697 CD GLU A 108 4.037 -10.132 -8.817 1.00 0.00 C ATOM 1698 OE1 GLU A 108 3.084 -10.379 -8.048 1.00 0.00 O ATOM 1699 OE2 GLU A 108 4.529 -10.978 -9.592 1.00 0.00 O ATOM 0 H GLU A 108 3.666 -6.454 -10.630 1.00 0.00 H new ATOM 0 HA GLU A 108 2.043 -8.611 -9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.094 -6.701 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.232 -7.872 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.035 -8.511 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.455 -8.698 -8.103 1.00 0.00 H new ATOM 1706 N VAL A 109 1.300 -5.477 -9.053 1.00 0.00 N ATOM 1707 CA VAL A 109 0.283 -4.578 -8.521 1.00 0.00 C ATOM 1708 C VAL A 109 -1.101 -4.939 -9.049 1.00 0.00 C ATOM 1709 O VAL A 109 -2.074 -4.958 -8.297 1.00 0.00 O ATOM 1710 CB VAL A 109 0.593 -3.108 -8.875 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -0.465 -2.178 -8.299 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.979 -2.721 -8.379 1.00 0.00 C ATOM 0 H VAL A 109 2.000 -5.022 -9.639 1.00 0.00 H new ATOM 0 HA VAL A 109 0.294 -4.692 -7.437 1.00 0.00 H new ATOM 0 HB VAL A 109 0.576 -3.007 -9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.225 -1.148 -8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.441 -2.439 -8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.488 -2.280 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.181 -1.681 -8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.025 -2.841 -7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.725 -3.363 -8.847 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.184 -5.222 -10.344 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.454 -5.578 -10.963 1.00 0.00 C ATOM 1724 C ARG A 110 -3.026 -6.846 -10.340 1.00 0.00 C ATOM 1725 O ARG A 110 -4.243 -7.021 -10.274 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.279 -5.768 -12.470 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.585 -6.015 -13.209 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.368 -6.114 -14.711 1.00 0.00 C ATOM 1729 NE ARG A 110 -2.666 -4.947 -15.240 1.00 0.00 N ATOM 1730 CZ ARG A 110 -3.219 -3.743 -15.364 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -4.478 -3.542 -14.998 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -2.510 -2.735 -15.856 1.00 0.00 N ATOM 0 H ARG A 110 -0.389 -5.212 -10.983 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.155 -4.761 -10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.798 -4.883 -12.886 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.607 -6.608 -12.646 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.041 -6.936 -12.845 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.284 -5.207 -12.994 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.796 -7.014 -14.936 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.331 -6.215 -15.211 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.695 -5.062 -15.531 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.028 -4.313 -14.619 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.896 -2.617 -15.096 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.541 -2.883 -16.139 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.934 -1.812 -15.951 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.143 -7.726 -9.881 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.569 -8.973 -9.261 1.00 0.00 C ATOM 1748 C HIS A 111 -3.125 -8.716 -7.868 1.00 0.00 C ATOM 1749 O HIS A 111 -4.244 -9.124 -7.552 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.404 -9.965 -9.193 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.615 -11.194 -10.021 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -2.298 -11.187 -11.220 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.230 -12.476 -9.817 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -2.323 -12.410 -11.717 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.681 -13.210 -10.887 1.00 0.00 N ATOM 0 H HIS A 111 -1.132 -7.599 -9.927 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.359 -9.407 -9.874 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.493 -9.466 -9.524 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.248 -10.259 -8.155 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.673 -12.851 -8.971 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.790 -12.705 -12.645 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.542 -14.212 -11.019 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.350 -8.028 -7.038 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.792 -7.717 -5.687 1.00 0.00 C ATOM 1766 C ILE A 112 -3.980 -6.756 -5.718 1.00 0.00 C ATOM 1767 O ILE A 112 -4.699 -6.614 -4.728 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.657 -7.112 -4.834 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.184 -5.784 -5.423 1.00 0.00 C ATOM 1770 CG2 ILE A 112 -0.498 -8.092 -4.727 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -2.034 -4.605 -5.007 1.00 0.00 C ATOM 0 H ILE A 112 -1.421 -7.678 -7.275 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.097 -8.656 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.044 -6.920 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.153 -5.606 -5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.185 -5.857 -6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.296 -7.652 -4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.843 -9.014 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.115 -8.313 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.641 -3.695 -5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.061 -4.762 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.014 -4.507 -3.922 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.191 -6.110 -6.867 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.303 -5.181 -7.025 1.00 0.00 C ATOM 1785 C LEU A 113 -6.620 -5.942 -7.110 1.00 0.00 C ATOM 1786 O LEU A 113 -7.643 -5.493 -6.591 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.110 -4.324 -8.278 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.063 -2.816 -8.028 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -3.844 -2.451 -7.194 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.056 -2.057 -9.346 1.00 0.00 C ATOM 0 H LEU A 113 -3.607 -6.215 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.331 -4.526 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.183 -4.625 -8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.921 -4.537 -8.974 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.957 -2.531 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.827 -1.374 -7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.891 -2.967 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.939 -2.750 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.022 -0.986 -9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.181 -2.346 -9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.960 -2.294 -9.907 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.587 -7.102 -7.762 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.782 -7.927 -7.907 1.00 0.00 C ATOM 1804 C GLU A 114 -8.362 -8.284 -6.540 1.00 0.00 C ATOM 1805 O GLU A 114 -9.545 -8.603 -6.421 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.454 -9.203 -8.686 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.683 -10.016 -9.062 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.379 -11.492 -9.222 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -8.032 -12.141 -8.212 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.488 -12.002 -10.358 1.00 0.00 O ATOM 0 H GLU A 114 -5.749 -7.490 -8.196 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.527 -7.355 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.913 -8.936 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.787 -9.823 -8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.448 -9.887 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.098 -9.631 -9.994 1.00 0.00 H new ATOM 1817 N VAL A 115 -7.519 -8.227 -5.512 1.00 0.00 N ATOM 1818 CA VAL A 115 -7.942 -8.541 -4.153 1.00 0.00 C ATOM 1819 C VAL A 115 -8.872 -7.462 -3.605 1.00 0.00 C ATOM 1820 O VAL A 115 -10.024 -7.734 -3.270 1.00 0.00 O ATOM 1821 CB VAL A 115 -6.733 -8.691 -3.212 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -7.180 -9.148 -1.832 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -5.716 -9.657 -3.801 1.00 0.00 C ATOM 0 H VAL A 115 -6.537 -7.965 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.478 -9.489 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.256 -7.717 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.310 -9.248 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.866 -8.413 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.685 -10.111 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.868 -9.751 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.180 -10.634 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.371 -9.279 -4.763 1.00 0.00 H new ATOM 1833 N SER A 116 -8.362 -6.235 -3.517 1.00 0.00 N ATOM 1834 CA SER A 116 -9.148 -5.114 -3.010 1.00 0.00 C ATOM 1835 C SER A 116 -10.474 -5.002 -3.751 1.00 0.00 C ATOM 1836 O SER A 116 -11.542 -4.976 -3.138 1.00 0.00 O ATOM 1837 CB SER A 116 -8.367 -3.807 -3.158 1.00 0.00 C ATOM 1838 OG SER A 116 -8.650 -2.919 -2.089 1.00 0.00 O ATOM 0 H SER A 116 -7.409 -5.993 -3.790 1.00 0.00 H new ATOM 0 HA SER A 116 -9.350 -5.296 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.298 -4.020 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.622 -3.333 -4.106 1.00 0.00 H new ATOM 0 HG SER A 116 -8.137 -2.092 -2.206 1.00 0.00 H new ATOM 1844 N GLY A 117 -10.396 -4.940 -5.075 1.00 0.00 N ATOM 1845 CA GLY A 117 -11.593 -4.834 -5.887 1.00 0.00 C ATOM 1846 C GLY A 117 -11.534 -3.673 -6.861 1.00 0.00 C ATOM 1847 O GLY A 117 -12.536 -3.000 -7.096 1.00 0.00 O ATOM 0 H GLY A 117 -9.523 -4.961 -5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.735 -5.762 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.460 -4.715 -5.237 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.354 -3.439 -7.427 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.168 -2.351 -8.382 1.00 0.00 C ATOM 1853 C LEU A 118 -10.190 -2.864 -9.822 1.00 0.00 C ATOM 1854 O LEU A 118 -10.038 -2.089 -10.765 1.00 0.00 O ATOM 1855 CB LEU A 118 -8.849 -1.623 -8.107 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.442 -1.537 -6.632 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.213 -0.656 -6.469 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.594 -1.006 -5.790 1.00 0.00 C ATOM 0 H LEU A 118 -9.514 -3.987 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.996 -1.654 -8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.054 -2.126 -8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.922 -0.611 -8.506 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.196 -2.540 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.938 -0.606 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.386 -1.077 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.433 0.347 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.287 -0.952 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.871 -0.011 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.450 -1.674 -5.882 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.381 -4.171 -9.985 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.422 -4.777 -11.312 1.00 0.00 C ATOM 1872 C LEU A 119 -11.637 -5.689 -11.454 1.00 0.00 C ATOM 1873 O LEU A 119 -12.517 -5.444 -12.277 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.138 -5.568 -11.575 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.075 -4.825 -12.386 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -7.266 -3.904 -11.485 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -7.164 -5.812 -13.098 1.00 0.00 C ATOM 0 H LEU A 119 -10.509 -4.829 -9.216 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.503 -3.978 -12.049 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.706 -5.858 -10.618 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.397 -6.488 -12.100 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.576 -4.216 -13.138 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.514 -3.383 -12.078 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.930 -3.175 -11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.774 -4.493 -10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.414 -5.267 -13.670 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.669 -6.446 -12.363 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.755 -6.432 -13.772 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.676 -6.743 -10.643 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.786 -7.678 -10.693 1.00 0.00 C ATOM 1891 C GLY A 120 -13.612 -7.664 -9.422 1.00 0.00 C ATOM 1892 O GLY A 120 -13.596 -6.635 -8.715 1.00 0.00 O ATOM 1893 OXT GLY A 120 -14.276 -8.682 -9.133 1.00 0.00 O ATOM 0 H GLY A 120 -10.959 -6.966 -9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.425 -7.433 -11.541 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -12.402 -8.684 -10.863 1.00 0.00 H new