USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 HIS : no HE2:sc= -1.98 K(o=-2,f=-2.6!) USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 30:sc= 0.0667 USER MOD Single : A 6 TYR OH : rot 82:sc= 0.196 USER MOD Single : A 10 THR OG1 : rot -157:sc= -0.328 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.228 F(o=-0.74,f=-0.23) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= -0.226 (180deg=-0.925) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.6!) USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.203 (180deg=-0.857) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ 149:sc= -0.335 (180deg=-1.49!) USER MOD Single : A 37 GLN : amide:sc=-0.00568 X(o=-0.0057,f=0) USER MOD Single : A 42 THR OG1 : rot 32:sc= -0.722 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -116:sc= -0.0832 (180deg=-0.638) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0987) USER MOD Single : A 69 GLN : amide:sc= -3.2 K(o=-3.2,f=-5.1!) USER MOD Single : A 70 MET CE :methyl -139:sc= -2.11 (180deg=-4.93!) USER MOD Single : A 79 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.5!) USER MOD Single : A 88 THR OG1 : rot 23:sc= -0.518 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= -0.395 USER MOD Single : A 111 HIS : no HE2:sc= 0.0555 X(o=0.056,f=-0.26) USER MOD Single : A 116 SER OG : rot 150:sc=-0.00428 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 0.939 11.206 -11.365 1.00 0.00 N ATOM 2 CA SER A 2 0.486 9.819 -11.079 1.00 0.00 C ATOM 3 C SER A 2 0.768 9.434 -9.632 1.00 0.00 C ATOM 4 O SER A 2 1.200 10.263 -8.830 1.00 0.00 O ATOM 5 CB SER A 2 1.211 8.864 -12.031 1.00 0.00 C ATOM 6 OG SER A 2 0.899 9.156 -13.382 1.00 0.00 O ATOM 0 HA SER A 2 -0.592 9.756 -11.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.287 8.941 -11.878 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.930 7.836 -11.804 1.00 0.00 H new ATOM 0 HG SER A 2 0.715 10.114 -13.476 1.00 0.00 H new ATOM 14 N ILE A 3 0.524 8.170 -9.302 1.00 0.00 N ATOM 15 CA ILE A 3 0.753 7.673 -7.952 1.00 0.00 C ATOM 16 C ILE A 3 1.434 6.307 -7.984 1.00 0.00 C ATOM 17 O ILE A 3 1.741 5.789 -9.058 1.00 0.00 O ATOM 18 CB ILE A 3 -0.567 7.590 -7.153 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.418 6.403 -7.611 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.348 8.886 -7.306 1.00 0.00 C ATOM 21 CD1 ILE A 3 -1.858 6.494 -9.056 1.00 0.00 C ATOM 0 H ILE A 3 0.167 7.471 -9.953 1.00 0.00 H new ATOM 0 HA ILE A 3 1.412 8.381 -7.450 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.320 7.441 -6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.850 5.484 -7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.300 6.333 -6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.277 8.820 -6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.752 9.717 -6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.576 9.051 -8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.457 5.619 -9.310 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.454 7.395 -9.199 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.981 6.533 -9.702 1.00 0.00 H new ATOM 33 N GLU A 4 1.682 5.729 -6.811 1.00 0.00 N ATOM 34 CA GLU A 4 2.342 4.429 -6.741 1.00 0.00 C ATOM 35 C GLU A 4 1.972 3.663 -5.471 1.00 0.00 C ATOM 36 O GLU A 4 1.577 4.253 -4.461 1.00 0.00 O ATOM 37 CB GLU A 4 3.861 4.606 -6.807 1.00 0.00 C ATOM 38 CG GLU A 4 4.419 4.550 -8.220 1.00 0.00 C ATOM 39 CD GLU A 4 5.330 5.723 -8.534 1.00 0.00 C ATOM 40 OE1 GLU A 4 4.811 6.791 -8.920 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.561 5.572 -8.392 1.00 0.00 O ATOM 0 H GLU A 4 1.439 6.134 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 4 1.998 3.846 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.127 5.563 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.335 3.830 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.972 3.620 -8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.594 4.534 -8.932 1.00 0.00 H new ATOM 48 N TRP A 5 2.125 2.342 -5.538 1.00 0.00 N ATOM 49 CA TRP A 5 1.833 1.470 -4.406 1.00 0.00 C ATOM 50 C TRP A 5 3.118 1.129 -3.662 1.00 0.00 C ATOM 51 O TRP A 5 3.742 0.102 -3.926 1.00 0.00 O ATOM 52 CB TRP A 5 1.172 0.175 -4.887 1.00 0.00 C ATOM 53 CG TRP A 5 -0.280 0.315 -5.223 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.816 0.565 -6.454 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.386 0.200 -4.322 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.185 0.608 -6.373 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.562 0.389 -5.075 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.498 -0.046 -2.951 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.829 0.340 -4.501 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.757 -0.093 -2.383 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.909 0.098 -3.158 1.00 0.00 C ATOM 0 H TRP A 5 2.452 1.851 -6.370 1.00 0.00 H new ATOM 0 HA TRP A 5 1.152 1.995 -3.736 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.704 -0.186 -5.767 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.283 -0.585 -4.114 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.245 0.708 -7.360 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.820 0.776 -7.154 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.616 -0.197 -2.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.718 0.488 -5.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.855 -0.280 -1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.879 0.053 -2.685 1.00 0.00 H new ATOM 72 N TYR A 6 3.516 1.994 -2.736 1.00 0.00 N ATOM 73 CA TYR A 6 4.736 1.775 -1.970 1.00 0.00 C ATOM 74 C TYR A 6 4.495 0.795 -0.828 1.00 0.00 C ATOM 75 O TYR A 6 3.604 0.993 -0.001 1.00 0.00 O ATOM 76 CB TYR A 6 5.268 3.100 -1.427 1.00 0.00 C ATOM 77 CG TYR A 6 5.799 4.016 -2.507 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.974 3.717 -3.184 1.00 0.00 C ATOM 79 CD2 TYR A 6 5.121 5.178 -2.854 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.460 4.549 -4.173 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.598 6.015 -3.844 1.00 0.00 C ATOM 82 CZ TYR A 6 6.768 5.696 -4.500 1.00 0.00 C ATOM 83 OH TYR A 6 7.248 6.527 -5.485 1.00 0.00 O ATOM 0 H TYR A 6 3.014 2.850 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 6 5.482 1.343 -2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.471 3.610 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.062 2.898 -0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.517 2.818 -2.933 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.205 5.431 -2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.377 4.303 -4.688 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.058 6.914 -4.103 1.00 0.00 H new ATOM 0 HH TYR A 6 6.986 6.179 -6.363 1.00 0.00 H new ATOM 93 N ALA A 7 5.292 -0.268 -0.795 1.00 0.00 N ATOM 94 CA ALA A 7 5.165 -1.287 0.239 1.00 0.00 C ATOM 95 C ALA A 7 6.138 -1.040 1.385 1.00 0.00 C ATOM 96 O ALA A 7 7.298 -0.693 1.167 1.00 0.00 O ATOM 97 CB ALA A 7 5.388 -2.670 -0.355 1.00 0.00 C ATOM 0 H ALA A 7 6.033 -0.446 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 7 4.154 -1.232 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.290 -3.422 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.646 -2.856 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.387 -2.724 -0.787 1.00 0.00 H new ATOM 103 N VAL A 8 5.656 -1.228 2.610 1.00 0.00 N ATOM 104 CA VAL A 8 6.478 -1.033 3.797 1.00 0.00 C ATOM 105 C VAL A 8 6.472 -2.284 4.669 1.00 0.00 C ATOM 106 O VAL A 8 5.581 -3.126 4.554 1.00 0.00 O ATOM 107 CB VAL A 8 5.990 0.165 4.633 1.00 0.00 C ATOM 108 CG1 VAL A 8 7.000 0.509 5.718 1.00 0.00 C ATOM 109 CG2 VAL A 8 5.725 1.368 3.741 1.00 0.00 C ATOM 0 H VAL A 8 4.697 -1.516 2.805 1.00 0.00 H new ATOM 0 HA VAL A 8 7.492 -0.831 3.453 1.00 0.00 H new ATOM 0 HB VAL A 8 5.053 -0.113 5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.637 1.358 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.133 -0.349 6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.955 0.765 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.381 2.204 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.644 1.648 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.960 1.115 3.007 1.00 0.00 H new ATOM 119 N HIS A 9 7.470 -2.402 5.539 1.00 0.00 N ATOM 120 CA HIS A 9 7.573 -3.556 6.424 1.00 0.00 C ATOM 121 C HIS A 9 6.928 -3.265 7.776 1.00 0.00 C ATOM 122 O HIS A 9 7.173 -2.221 8.380 1.00 0.00 O ATOM 123 CB HIS A 9 9.038 -3.950 6.616 1.00 0.00 C ATOM 124 CG HIS A 9 9.707 -4.399 5.355 1.00 0.00 C ATOM 125 ND1 HIS A 9 10.296 -5.638 5.215 1.00 0.00 N ATOM 126 CD2 HIS A 9 9.875 -3.769 4.168 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.799 -5.750 3.998 1.00 0.00 C ATOM 128 NE2 HIS A 9 10.557 -4.630 3.343 1.00 0.00 N ATOM 0 H HIS A 9 8.216 -1.715 5.650 1.00 0.00 H new ATOM 0 HA HIS A 9 7.040 -4.386 5.960 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.584 -3.099 7.024 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.097 -4.750 7.354 1.00 0.00 H new ATOM 0 HD1 HIS A 9 10.337 -6.356 5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.536 -2.775 3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.319 -6.611 3.606 1.00 0.00 H new ATOM 137 N THR A 10 6.103 -4.197 8.243 1.00 0.00 N ATOM 138 CA THR A 10 5.422 -4.041 9.524 1.00 0.00 C ATOM 139 C THR A 10 5.718 -5.219 10.446 1.00 0.00 C ATOM 140 O THR A 10 6.411 -6.162 10.063 1.00 0.00 O ATOM 141 CB THR A 10 3.913 -3.913 9.310 1.00 0.00 C ATOM 142 OG1 THR A 10 3.349 -5.161 8.949 1.00 0.00 O ATOM 143 CG2 THR A 10 3.545 -2.914 8.234 1.00 0.00 C ATOM 0 H THR A 10 5.890 -5.067 7.755 1.00 0.00 H new ATOM 0 HA THR A 10 5.794 -3.132 9.996 1.00 0.00 H new ATOM 0 HB THR A 10 3.515 -3.562 10.262 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.505 -5.013 8.474 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.461 -2.871 8.133 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.923 -1.929 8.508 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.986 -3.221 7.286 1.00 0.00 H new ATOM 151 N LEU A 11 5.188 -5.158 11.664 1.00 0.00 N ATOM 152 CA LEU A 11 5.395 -6.218 12.642 1.00 0.00 C ATOM 153 C LEU A 11 4.402 -7.357 12.428 1.00 0.00 C ATOM 154 O LEU A 11 3.202 -7.128 12.274 1.00 0.00 O ATOM 155 CB LEU A 11 5.257 -5.663 14.063 1.00 0.00 C ATOM 156 CG LEU A 11 6.578 -5.335 14.761 1.00 0.00 C ATOM 157 CD1 LEU A 11 6.323 -4.649 16.093 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.401 -6.600 14.958 1.00 0.00 C ATOM 0 H LEU A 11 4.612 -4.385 11.996 1.00 0.00 H new ATOM 0 HA LEU A 11 6.403 -6.610 12.509 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.649 -4.759 14.026 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.714 -6.388 14.669 1.00 0.00 H new ATOM 0 HG LEU A 11 7.143 -4.651 14.128 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.275 -4.424 16.574 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.773 -3.723 15.926 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.738 -5.308 16.735 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.338 -6.351 15.456 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.841 -7.306 15.571 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.614 -7.050 13.988 1.00 0.00 H new ATOM 170 N VAL A 12 4.911 -8.586 12.415 1.00 0.00 N ATOM 171 CA VAL A 12 4.067 -9.759 12.217 1.00 0.00 C ATOM 172 C VAL A 12 3.084 -9.932 13.370 1.00 0.00 C ATOM 173 O VAL A 12 3.484 -10.017 14.531 1.00 0.00 O ATOM 174 CB VAL A 12 4.911 -11.041 12.082 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.613 -11.079 10.733 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.917 -11.143 13.220 1.00 0.00 C ATOM 0 H VAL A 12 5.902 -8.795 12.539 1.00 0.00 H new ATOM 0 HA VAL A 12 3.513 -9.597 11.292 1.00 0.00 H new ATOM 0 HB VAL A 12 4.244 -11.901 12.142 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.204 -11.992 10.656 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.870 -11.060 9.936 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.268 -10.213 10.639 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.503 -12.055 13.107 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.581 -10.279 13.197 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.388 -11.168 14.172 1.00 0.00 H new ATOM 186 N GLY A 13 1.798 -9.982 13.040 1.00 0.00 N ATOM 187 CA GLY A 13 0.779 -10.145 14.061 1.00 0.00 C ATOM 188 C GLY A 13 0.141 -8.827 14.459 1.00 0.00 C ATOM 189 O GLY A 13 -1.015 -8.791 14.882 1.00 0.00 O ATOM 0 H GLY A 13 1.443 -9.913 12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.008 -10.823 13.695 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.222 -10.611 14.941 1.00 0.00 H new ATOM 193 N GLN A 14 0.896 -7.742 14.323 1.00 0.00 N ATOM 194 CA GLN A 14 0.400 -6.416 14.673 1.00 0.00 C ATOM 195 C GLN A 14 0.059 -5.602 13.426 1.00 0.00 C ATOM 196 O GLN A 14 -0.429 -4.476 13.526 1.00 0.00 O ATOM 197 CB GLN A 14 1.437 -5.668 15.514 1.00 0.00 C ATOM 198 CG GLN A 14 0.846 -4.549 16.354 1.00 0.00 C ATOM 199 CD GLN A 14 -0.009 -5.066 17.494 1.00 0.00 C ATOM 200 OE1 GLN A 14 -1.281 -5.320 17.212 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 0.469 -5.237 18.616 1.00 0.00 N flip ATOM 0 H GLN A 14 1.854 -7.755 13.973 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.513 -6.545 15.255 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.940 -6.378 16.171 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.197 -5.252 14.853 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.653 -3.938 16.758 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.243 -3.901 15.717 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.452 -5.029 18.789 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.119 -5.587 19.373 1.00 0.00 H new ATOM 210 N GLU A 15 0.315 -6.173 12.249 1.00 0.00 N ATOM 211 CA GLU A 15 0.031 -5.490 10.992 1.00 0.00 C ATOM 212 C GLU A 15 -1.442 -5.102 10.900 1.00 0.00 C ATOM 213 O GLU A 15 -1.786 -4.066 10.331 1.00 0.00 O ATOM 214 CB GLU A 15 0.409 -6.383 9.807 1.00 0.00 C ATOM 215 CG GLU A 15 -0.144 -7.795 9.908 1.00 0.00 C ATOM 216 CD GLU A 15 -1.013 -8.169 8.722 1.00 0.00 C ATOM 217 OE1 GLU A 15 -0.651 -7.807 7.584 1.00 0.00 O ATOM 218 OE2 GLU A 15 -2.057 -8.821 8.934 1.00 0.00 O ATOM 0 H GLU A 15 0.717 -7.104 12.142 1.00 0.00 H new ATOM 0 HA GLU A 15 0.629 -4.579 10.960 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.046 -5.925 8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.495 -6.432 9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.683 -8.500 9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.727 -7.888 10.824 1.00 0.00 H new ATOM 225 N GLU A 16 -2.307 -5.939 11.466 1.00 0.00 N ATOM 226 CA GLU A 16 -3.743 -5.682 11.449 1.00 0.00 C ATOM 227 C GLU A 16 -4.065 -4.346 12.112 1.00 0.00 C ATOM 228 O GLU A 16 -4.913 -3.594 11.633 1.00 0.00 O ATOM 229 CB GLU A 16 -4.493 -6.809 12.160 1.00 0.00 C ATOM 230 CG GLU A 16 -4.365 -8.156 11.469 1.00 0.00 C ATOM 231 CD GLU A 16 -4.617 -9.320 12.407 1.00 0.00 C ATOM 232 OE1 GLU A 16 -5.755 -9.444 12.907 1.00 0.00 O ATOM 233 OE2 GLU A 16 -3.676 -10.106 12.641 1.00 0.00 O ATOM 0 H GLU A 16 -2.038 -6.800 11.942 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.066 -5.639 10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.118 -6.896 13.180 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.548 -6.545 12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.071 -8.203 10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.366 -8.248 11.043 1.00 0.00 H new ATOM 240 N LYS A 17 -3.382 -4.059 13.214 1.00 0.00 N ATOM 241 CA LYS A 17 -3.595 -2.813 13.942 1.00 0.00 C ATOM 242 C LYS A 17 -2.788 -1.673 13.326 1.00 0.00 C ATOM 243 O LYS A 17 -3.141 -0.503 13.471 1.00 0.00 O ATOM 244 CB LYS A 17 -3.214 -2.986 15.414 1.00 0.00 C ATOM 245 CG LYS A 17 -3.769 -1.896 16.317 1.00 0.00 C ATOM 246 CD LYS A 17 -4.521 -2.481 17.502 1.00 0.00 C ATOM 247 CE LYS A 17 -4.352 -1.623 18.746 1.00 0.00 C ATOM 248 NZ LYS A 17 -2.923 -1.490 19.140 1.00 0.00 N ATOM 0 H LYS A 17 -2.676 -4.671 13.623 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.653 -2.560 13.874 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.574 -3.954 15.763 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.128 -3.000 15.501 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.953 -1.270 16.677 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.436 -1.252 15.744 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.580 -2.565 17.257 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.159 -3.490 17.702 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.772 -0.634 18.564 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.916 -2.062 19.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.860 -1.322 20.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.414 -2.365 18.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.496 -0.690 18.631 1.00 0.00 H new ATOM 262 N ALA A 18 -1.703 -2.021 12.640 1.00 0.00 N ATOM 263 CA ALA A 18 -0.850 -1.023 12.003 1.00 0.00 C ATOM 264 C ALA A 18 -1.639 -0.169 11.017 1.00 0.00 C ATOM 265 O ALA A 18 -1.592 1.059 11.068 1.00 0.00 O ATOM 266 CB ALA A 18 0.319 -1.699 11.303 1.00 0.00 C ATOM 0 H ALA A 18 -1.394 -2.985 12.511 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.463 -0.364 12.780 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.947 -0.943 10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.907 -2.256 12.032 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.058 -2.383 10.542 1.00 0.00 H new ATOM 272 N LYS A 19 -2.366 -0.829 10.120 1.00 0.00 N ATOM 273 CA LYS A 19 -3.167 -0.128 9.122 1.00 0.00 C ATOM 274 C LYS A 19 -4.209 0.762 9.789 1.00 0.00 C ATOM 275 O LYS A 19 -4.496 1.862 9.316 1.00 0.00 O ATOM 276 CB LYS A 19 -3.855 -1.129 8.191 1.00 0.00 C ATOM 277 CG LYS A 19 -4.643 -2.202 8.925 1.00 0.00 C ATOM 278 CD LYS A 19 -6.142 -2.009 8.754 1.00 0.00 C ATOM 279 CE LYS A 19 -6.638 -2.619 7.453 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.922 -2.013 7.009 1.00 0.00 N ATOM 0 H LYS A 19 -2.417 -1.846 10.064 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.499 0.502 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.527 -0.589 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.102 -1.608 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.357 -3.185 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.391 -2.179 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.667 -2.465 9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.377 -0.945 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.885 -2.482 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.770 -3.693 7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.226 -2.457 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.648 -2.166 7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.791 -0.992 6.860 1.00 0.00 H new ATOM 294 N ALA A 20 -4.772 0.281 10.893 1.00 0.00 N ATOM 295 CA ALA A 20 -5.781 1.035 11.626 1.00 0.00 C ATOM 296 C ALA A 20 -5.160 2.230 12.339 1.00 0.00 C ATOM 297 O ALA A 20 -5.607 3.365 12.178 1.00 0.00 O ATOM 298 CB ALA A 20 -6.492 0.133 12.624 1.00 0.00 C ATOM 0 H ALA A 20 -4.546 -0.627 11.299 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.511 1.411 10.909 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.243 0.709 13.165 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.976 -0.687 12.093 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.767 -0.271 13.330 1.00 0.00 H new ATOM 304 N ASN A 21 -4.120 1.968 13.127 1.00 0.00 N ATOM 305 CA ASN A 21 -3.433 3.024 13.862 1.00 0.00 C ATOM 306 C ASN A 21 -2.879 4.074 12.903 1.00 0.00 C ATOM 307 O ASN A 21 -2.798 5.254 13.239 1.00 0.00 O ATOM 308 CB ASN A 21 -2.302 2.434 14.705 1.00 0.00 C ATOM 309 CG ASN A 21 -2.719 2.185 16.142 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.861 2.445 16.521 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.794 1.681 16.948 1.00 0.00 N ATOM 0 H ASN A 21 -3.736 1.034 13.272 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.153 3.505 14.524 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.971 1.496 14.258 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.449 3.113 14.690 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.017 1.493 17.926 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.860 1.481 16.590 1.00 0.00 H new ATOM 318 N LEU A 22 -2.501 3.632 11.708 1.00 0.00 N ATOM 319 CA LEU A 22 -1.958 4.530 10.696 1.00 0.00 C ATOM 320 C LEU A 22 -3.073 5.332 10.032 1.00 0.00 C ATOM 321 O LEU A 22 -3.059 6.562 10.045 1.00 0.00 O ATOM 322 CB LEU A 22 -1.185 3.735 9.642 1.00 0.00 C ATOM 323 CG LEU A 22 -0.670 4.553 8.457 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.560 5.355 8.855 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.357 3.644 7.278 1.00 0.00 C ATOM 0 H LEU A 22 -2.561 2.656 11.417 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.276 5.225 11.186 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.336 3.251 10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.830 2.942 9.263 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.451 5.251 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.912 5.930 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.304 6.034 9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.347 4.676 9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.008 4.243 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.406 2.922 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.261 3.115 6.976 1.00 0.00 H new ATOM 337 N GLU A 23 -4.039 4.625 9.452 1.00 0.00 N ATOM 338 CA GLU A 23 -5.166 5.267 8.781 1.00 0.00 C ATOM 339 C GLU A 23 -5.801 6.331 9.670 1.00 0.00 C ATOM 340 O GLU A 23 -6.326 7.333 9.181 1.00 0.00 O ATOM 341 CB GLU A 23 -6.214 4.222 8.389 1.00 0.00 C ATOM 342 CG GLU A 23 -7.367 4.791 7.582 1.00 0.00 C ATOM 343 CD GLU A 23 -8.627 4.963 8.407 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.511 5.127 9.641 1.00 0.00 O ATOM 345 OE2 GLU A 23 -9.730 4.935 7.823 1.00 0.00 O ATOM 0 H GLU A 23 -4.064 3.605 9.433 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.789 5.753 7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.731 3.434 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.608 3.758 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.074 5.756 7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.576 4.132 6.739 1.00 0.00 H new ATOM 352 N LYS A 24 -5.747 6.110 10.979 1.00 0.00 N ATOM 353 CA LYS A 24 -6.314 7.052 11.936 1.00 0.00 C ATOM 354 C LYS A 24 -5.480 8.328 11.993 1.00 0.00 C ATOM 355 O LYS A 24 -6.018 9.430 12.100 1.00 0.00 O ATOM 356 CB LYS A 24 -6.396 6.416 13.325 1.00 0.00 C ATOM 357 CG LYS A 24 -7.722 6.657 14.028 1.00 0.00 C ATOM 358 CD LYS A 24 -8.032 5.553 15.026 1.00 0.00 C ATOM 359 CE LYS A 24 -7.309 5.775 16.345 1.00 0.00 C ATOM 360 NZ LYS A 24 -7.702 7.061 16.983 1.00 0.00 N ATOM 0 H LYS A 24 -5.317 5.287 11.401 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.321 7.309 11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.233 5.342 13.234 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.590 6.810 13.944 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.693 7.617 14.543 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.521 6.716 13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.107 5.511 15.202 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.740 4.590 14.607 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.530 4.951 17.023 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.232 5.768 16.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.567 6.994 18.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.112 7.830 16.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.702 7.259 16.777 1.00 0.00 H new ATOM 374 N ARG A 25 -4.163 8.170 11.915 1.00 0.00 N ATOM 375 CA ARG A 25 -3.254 9.308 11.953 1.00 0.00 C ATOM 376 C ARG A 25 -3.350 10.115 10.662 1.00 0.00 C ATOM 377 O ARG A 25 -3.253 11.342 10.675 1.00 0.00 O ATOM 378 CB ARG A 25 -1.815 8.832 12.170 1.00 0.00 C ATOM 379 CG ARG A 25 -1.237 9.241 13.515 1.00 0.00 C ATOM 380 CD ARG A 25 -1.962 8.563 14.665 1.00 0.00 C ATOM 381 NE ARG A 25 -2.923 9.455 15.309 1.00 0.00 N ATOM 382 CZ ARG A 25 -3.913 9.036 16.094 1.00 0.00 C ATOM 383 NH1 ARG A 25 -4.078 7.741 16.332 1.00 0.00 N ATOM 384 NH2 ARG A 25 -4.742 9.915 16.642 1.00 0.00 N ATOM 0 H ARG A 25 -3.702 7.265 11.825 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.542 9.950 12.786 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.783 7.746 12.085 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.185 9.232 11.376 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.178 8.984 13.550 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.307 10.323 13.628 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.480 7.678 14.295 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.234 8.222 15.401 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.830 10.458 15.148 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.444 7.061 15.913 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.838 7.426 16.934 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.621 10.912 16.462 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.501 9.594 17.244 1.00 0.00 H new ATOM 398 N ILE A 26 -3.546 9.416 9.549 1.00 0.00 N ATOM 399 CA ILE A 26 -3.661 10.065 8.248 1.00 0.00 C ATOM 400 C ILE A 26 -4.938 10.896 8.167 1.00 0.00 C ATOM 401 O ILE A 26 -4.980 11.921 7.486 1.00 0.00 O ATOM 402 CB ILE A 26 -3.654 9.033 7.102 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.445 8.104 7.230 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.647 9.736 5.750 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.116 8.821 7.131 1.00 0.00 C ATOM 0 H ILE A 26 -3.629 8.400 9.522 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.796 10.719 8.138 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.561 8.432 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.497 7.584 8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.497 7.344 6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.642 8.992 4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.537 10.359 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.757 10.360 5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.305 8.100 7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.042 9.319 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.042 9.562 7.927 1.00 0.00 H new ATOM 417 N LYS A 27 -5.975 10.448 8.868 1.00 0.00 N ATOM 418 CA LYS A 27 -7.252 11.153 8.876 1.00 0.00 C ATOM 419 C LYS A 27 -7.234 12.297 9.885 1.00 0.00 C ATOM 420 O LYS A 27 -7.908 13.311 9.702 1.00 0.00 O ATOM 421 CB LYS A 27 -8.392 10.187 9.205 1.00 0.00 C ATOM 422 CG LYS A 27 -9.761 10.698 8.784 1.00 0.00 C ATOM 423 CD LYS A 27 -10.732 10.733 9.955 1.00 0.00 C ATOM 424 CE LYS A 27 -10.898 12.143 10.498 1.00 0.00 C ATOM 425 NZ LYS A 27 -12.291 12.400 10.957 1.00 0.00 N ATOM 0 H LYS A 27 -5.956 9.602 9.437 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.414 11.569 7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.202 9.233 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.398 9.997 10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.662 11.698 8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.162 10.059 7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.701 10.348 9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.372 10.077 10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.208 12.296 11.328 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.632 12.864 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.363 13.372 11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.947 12.279 10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.537 11.729 11.713 1.00 0.00 H new ATOM 439 N ALA A 28 -6.459 12.127 10.951 1.00 0.00 N ATOM 440 CA ALA A 28 -6.353 13.145 11.988 1.00 0.00 C ATOM 441 C ALA A 28 -5.393 14.254 11.571 1.00 0.00 C ATOM 442 O ALA A 28 -5.572 15.415 11.939 1.00 0.00 O ATOM 443 CB ALA A 28 -5.900 12.519 13.299 1.00 0.00 C ATOM 0 H ALA A 28 -5.895 11.294 11.119 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.339 13.587 12.131 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.825 13.291 14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.624 11.767 13.612 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.926 12.050 13.161 1.00 0.00 H new ATOM 449 N PHE A 29 -4.375 13.888 10.801 1.00 0.00 N ATOM 450 CA PHE A 29 -3.387 14.852 10.332 1.00 0.00 C ATOM 451 C PHE A 29 -3.864 15.547 9.060 1.00 0.00 C ATOM 452 O PHE A 29 -3.478 16.682 8.781 1.00 0.00 O ATOM 453 CB PHE A 29 -2.048 14.156 10.074 1.00 0.00 C ATOM 454 CG PHE A 29 -1.194 14.027 11.304 1.00 0.00 C ATOM 455 CD1 PHE A 29 -0.761 15.154 11.984 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.825 12.779 11.779 1.00 0.00 C ATOM 457 CE1 PHE A 29 0.023 15.038 13.117 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.040 12.657 12.910 1.00 0.00 C ATOM 459 CZ PHE A 29 0.384 13.788 13.579 1.00 0.00 C ATOM 0 H PHE A 29 -4.212 12.931 10.488 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.255 15.606 11.108 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.236 13.163 9.666 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.498 14.713 9.316 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.039 16.134 11.625 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.155 11.891 11.260 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.352 15.924 13.640 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.241 11.678 13.270 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.998 13.695 14.463 1.00 0.00 H new ATOM 469 N GLY A 30 -4.707 14.861 8.295 1.00 0.00 N ATOM 470 CA GLY A 30 -5.222 15.431 7.064 1.00 0.00 C ATOM 471 C GLY A 30 -4.284 15.223 5.892 1.00 0.00 C ATOM 472 O GLY A 30 -3.798 16.187 5.298 1.00 0.00 O ATOM 0 H GLY A 30 -5.042 13.921 8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.189 14.982 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.392 16.498 7.205 1.00 0.00 H new ATOM 476 N LEU A 31 -4.025 13.962 5.561 1.00 0.00 N ATOM 477 CA LEU A 31 -3.137 13.630 4.453 1.00 0.00 C ATOM 478 C LEU A 31 -3.874 12.829 3.385 1.00 0.00 C ATOM 479 O LEU A 31 -3.271 12.027 2.672 1.00 0.00 O ATOM 480 CB LEU A 31 -1.930 12.838 4.962 1.00 0.00 C ATOM 481 CG LEU A 31 -1.342 13.331 6.287 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.924 12.157 7.159 1.00 0.00 C ATOM 483 CD2 LEU A 31 -0.162 14.257 6.034 1.00 0.00 C ATOM 0 H LEU A 31 -4.417 13.154 6.044 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.790 14.561 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.222 11.794 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.149 12.868 4.202 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.112 13.892 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.509 12.529 8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.792 11.533 7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.171 11.566 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.244 14.598 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.610 13.720 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.493 15.117 5.452 1.00 0.00 H new ATOM 495 N GLN A 32 -5.180 13.051 3.280 1.00 0.00 N ATOM 496 CA GLN A 32 -6.000 12.351 2.297 1.00 0.00 C ATOM 497 C GLN A 32 -5.750 12.881 0.886 1.00 0.00 C ATOM 498 O GLN A 32 -6.242 12.316 -0.092 1.00 0.00 O ATOM 499 CB GLN A 32 -7.483 12.485 2.654 1.00 0.00 C ATOM 500 CG GLN A 32 -8.224 11.159 2.685 1.00 0.00 C ATOM 501 CD GLN A 32 -9.729 11.335 2.710 1.00 0.00 C ATOM 502 OE1 GLN A 32 -10.263 12.303 2.169 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.424 10.395 3.343 1.00 0.00 N ATOM 0 H GLN A 32 -5.694 13.711 3.864 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.720 11.298 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.571 12.964 3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.964 13.144 1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.945 10.570 1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.913 10.593 3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.941 9.609 3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.441 10.460 3.394 1.00 0.00 H new ATOM 512 N ASP A 33 -4.988 13.967 0.780 1.00 0.00 N ATOM 513 CA ASP A 33 -4.683 14.562 -0.515 1.00 0.00 C ATOM 514 C ASP A 33 -3.563 13.797 -1.214 1.00 0.00 C ATOM 515 O ASP A 33 -3.502 13.755 -2.443 1.00 0.00 O ATOM 516 CB ASP A 33 -4.283 16.030 -0.344 1.00 0.00 C ATOM 517 CG ASP A 33 -5.457 16.973 -0.527 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.200 16.811 -1.517 1.00 0.00 O ATOM 519 OD2 ASP A 33 -5.633 17.873 0.322 1.00 0.00 O ATOM 0 H ASP A 33 -4.572 14.451 1.575 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.579 14.506 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.856 16.174 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.505 16.278 -1.066 1.00 0.00 H new ATOM 524 N LYS A 34 -2.681 13.192 -0.425 1.00 0.00 N ATOM 525 CA LYS A 34 -1.566 12.427 -0.971 1.00 0.00 C ATOM 526 C LYS A 34 -1.909 10.942 -1.032 1.00 0.00 C ATOM 527 O LYS A 34 -1.834 10.321 -2.092 1.00 0.00 O ATOM 528 CB LYS A 34 -0.310 12.641 -0.126 1.00 0.00 C ATOM 529 CG LYS A 34 0.569 13.779 -0.623 1.00 0.00 C ATOM 530 CD LYS A 34 0.824 14.810 0.466 1.00 0.00 C ATOM 531 CE LYS A 34 2.225 14.679 1.043 1.00 0.00 C ATOM 532 NZ LYS A 34 3.266 14.670 -0.022 1.00 0.00 N ATOM 0 H LYS A 34 -2.717 13.217 0.594 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.374 12.780 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.605 12.843 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.273 11.720 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.520 13.378 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.092 14.261 -1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.690 15.812 0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.089 14.689 1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.414 15.505 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.293 13.760 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.142 15.095 0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.453 13.690 -0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.931 15.219 -0.839 1.00 0.00 H new ATOM 546 N ILE A 35 -2.288 10.379 0.110 1.00 0.00 N ATOM 547 CA ILE A 35 -2.646 8.968 0.184 1.00 0.00 C ATOM 548 C ILE A 35 -4.070 8.744 -0.314 1.00 0.00 C ATOM 549 O ILE A 35 -4.946 9.583 -0.114 1.00 0.00 O ATOM 550 CB ILE A 35 -2.516 8.430 1.625 1.00 0.00 C ATOM 551 CG1 ILE A 35 -2.759 6.913 1.659 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.469 9.163 2.561 1.00 0.00 C ATOM 553 CD1 ILE A 35 -4.222 6.514 1.647 1.00 0.00 C ATOM 0 H ILE A 35 -2.355 10.878 0.997 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.951 8.424 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.500 8.615 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.264 6.458 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.290 6.502 2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.362 8.769 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.233 10.227 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.495 9.018 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.303 5.427 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.721 6.936 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.695 6.892 0.740 1.00 0.00 H new ATOM 565 N PHE A 36 -4.294 7.607 -0.967 1.00 0.00 N ATOM 566 CA PHE A 36 -5.617 7.283 -1.492 1.00 0.00 C ATOM 567 C PHE A 36 -6.026 5.863 -1.114 1.00 0.00 C ATOM 568 O PHE A 36 -7.162 5.626 -0.706 1.00 0.00 O ATOM 569 CB PHE A 36 -5.646 7.437 -3.013 1.00 0.00 C ATOM 570 CG PHE A 36 -4.879 8.627 -3.513 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.394 9.906 -3.382 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.644 8.462 -4.116 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.689 11.001 -3.843 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.934 9.552 -4.578 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.456 10.823 -4.442 1.00 0.00 C ATOM 0 H PHE A 36 -3.582 6.899 -1.144 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.327 7.981 -1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.238 6.535 -3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.682 7.519 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.357 10.049 -2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.232 7.470 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.100 11.994 -3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.971 9.411 -5.046 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.902 11.677 -4.803 1.00 0.00 H new ATOM 585 N GLN A 37 -5.099 4.921 -1.259 1.00 0.00 N ATOM 586 CA GLN A 37 -5.386 3.526 -0.935 1.00 0.00 C ATOM 587 C GLN A 37 -4.428 2.986 0.122 1.00 0.00 C ATOM 588 O GLN A 37 -3.307 3.470 0.271 1.00 0.00 O ATOM 589 CB GLN A 37 -5.310 2.658 -2.192 1.00 0.00 C ATOM 590 CG GLN A 37 -5.967 3.286 -3.412 1.00 0.00 C ATOM 591 CD GLN A 37 -7.143 2.477 -3.923 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.206 2.444 -3.302 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.958 1.820 -5.062 1.00 0.00 N ATOM 0 H GLN A 37 -4.152 5.094 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.397 3.487 -0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.264 2.454 -2.419 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.785 1.698 -1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.304 4.292 -3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.228 3.387 -4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.060 1.876 -5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.714 1.260 -5.456 1.00 0.00 H new ATOM 602 N VAL A 38 -4.887 1.970 0.846 1.00 0.00 N ATOM 603 CA VAL A 38 -4.091 1.337 1.890 1.00 0.00 C ATOM 604 C VAL A 38 -4.546 -0.103 2.102 1.00 0.00 C ATOM 605 O VAL A 38 -5.100 -0.446 3.147 1.00 0.00 O ATOM 606 CB VAL A 38 -4.190 2.104 3.222 1.00 0.00 C ATOM 607 CG1 VAL A 38 -3.230 1.521 4.248 1.00 0.00 C ATOM 608 CG2 VAL A 38 -3.918 3.586 3.008 1.00 0.00 C ATOM 0 H VAL A 38 -5.815 1.565 0.726 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.052 1.351 1.561 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.204 1.997 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.315 2.076 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.478 0.474 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.209 1.594 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.993 4.111 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.916 3.717 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.650 3.993 2.311 1.00 0.00 H new ATOM 618 N LEU A 39 -4.318 -0.939 1.094 1.00 0.00 N ATOM 619 CA LEU A 39 -4.714 -2.341 1.157 1.00 0.00 C ATOM 620 C LEU A 39 -3.712 -3.163 1.960 1.00 0.00 C ATOM 621 O LEU A 39 -2.530 -2.827 2.027 1.00 0.00 O ATOM 622 CB LEU A 39 -4.848 -2.918 -0.254 1.00 0.00 C ATOM 623 CG LEU A 39 -6.200 -2.674 -0.928 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.317 -3.345 -0.145 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.465 -1.181 -1.066 1.00 0.00 C ATOM 0 H LEU A 39 -3.861 -0.669 0.223 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.679 -2.393 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.065 -2.491 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.670 -3.992 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.171 -3.112 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.270 -3.160 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.135 -4.419 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.348 -2.938 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.431 -1.026 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.474 -0.720 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.681 -0.727 -1.671 1.00 0.00 H new ATOM 637 N ILE A 40 -4.196 -4.243 2.562 1.00 0.00 N ATOM 638 CA ILE A 40 -3.345 -5.119 3.359 1.00 0.00 C ATOM 639 C ILE A 40 -3.104 -6.445 2.638 1.00 0.00 C ATOM 640 O ILE A 40 -4.046 -7.186 2.363 1.00 0.00 O ATOM 641 CB ILE A 40 -3.971 -5.398 4.742 1.00 0.00 C ATOM 642 CG1 ILE A 40 -3.013 -6.219 5.608 1.00 0.00 C ATOM 643 CG2 ILE A 40 -5.308 -6.112 4.593 1.00 0.00 C ATOM 644 CD1 ILE A 40 -1.934 -5.388 6.269 1.00 0.00 C ATOM 0 H ILE A 40 -5.173 -4.533 2.514 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.393 -4.607 3.499 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.149 -4.444 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.585 -6.737 6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.544 -6.985 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.732 -6.299 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.991 -5.488 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.159 -7.060 4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.292 -6.035 6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.337 -4.891 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.395 -4.639 6.913 1.00 0.00 H new ATOM 656 N PRO A 41 -1.834 -6.759 2.313 1.00 0.00 N ATOM 657 CA PRO A 41 -1.477 -8.000 1.614 1.00 0.00 C ATOM 658 C PRO A 41 -1.980 -9.246 2.340 1.00 0.00 C ATOM 659 O PRO A 41 -1.225 -9.911 3.050 1.00 0.00 O ATOM 660 CB PRO A 41 0.054 -7.979 1.595 1.00 0.00 C ATOM 661 CG PRO A 41 0.425 -6.546 1.752 1.00 0.00 C ATOM 662 CD PRO A 41 -0.651 -5.926 2.596 1.00 0.00 C ATOM 0 HA PRO A 41 -1.928 -8.045 0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.466 -8.584 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.442 -8.387 0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.400 -6.446 2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.492 -6.053 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.391 -5.944 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.821 -4.883 2.327 1.00 0.00 H new ATOM 670 N THR A 42 -3.259 -9.559 2.154 1.00 0.00 N ATOM 671 CA THR A 42 -3.866 -10.725 2.786 1.00 0.00 C ATOM 672 C THR A 42 -5.123 -11.152 2.039 1.00 0.00 C ATOM 673 O THR A 42 -6.017 -10.340 1.796 1.00 0.00 O ATOM 674 CB THR A 42 -4.216 -10.418 4.245 1.00 0.00 C ATOM 675 OG1 THR A 42 -5.066 -9.287 4.327 1.00 0.00 O ATOM 676 CG2 THR A 42 -3.006 -10.145 5.112 1.00 0.00 C ATOM 0 H THR A 42 -3.897 -9.019 1.569 1.00 0.00 H new ATOM 0 HA THR A 42 -3.143 -11.540 2.753 1.00 0.00 H new ATOM 0 HB THR A 42 -4.710 -11.316 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.636 -9.248 3.531 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.329 -9.935 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.353 -11.018 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.464 -9.285 4.719 1.00 0.00 H new ATOM 684 N GLU A 43 -5.194 -12.431 1.682 1.00 0.00 N ATOM 685 CA GLU A 43 -6.353 -12.956 0.971 1.00 0.00 C ATOM 686 C GLU A 43 -7.494 -13.230 1.944 1.00 0.00 C ATOM 687 O GLU A 43 -7.446 -14.181 2.724 1.00 0.00 O ATOM 688 CB GLU A 43 -5.992 -14.236 0.215 1.00 0.00 C ATOM 689 CG GLU A 43 -5.226 -15.247 1.052 1.00 0.00 C ATOM 690 CD GLU A 43 -3.821 -15.488 0.539 1.00 0.00 C ATOM 691 OE1 GLU A 43 -3.680 -15.916 -0.626 1.00 0.00 O ATOM 692 OE2 GLU A 43 -2.860 -15.250 1.302 1.00 0.00 O ATOM 0 H GLU A 43 -4.466 -13.119 1.873 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.676 -12.206 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.907 -14.701 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.395 -13.975 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.177 -14.896 2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.771 -16.191 1.063 1.00 0.00 H new ATOM 699 N GLU A 44 -8.516 -12.384 1.898 1.00 0.00 N ATOM 700 CA GLU A 44 -9.666 -12.527 2.783 1.00 0.00 C ATOM 701 C GLU A 44 -10.900 -12.987 2.013 1.00 0.00 C ATOM 702 O GLU A 44 -11.136 -12.562 0.883 1.00 0.00 O ATOM 703 CB GLU A 44 -9.958 -11.204 3.491 1.00 0.00 C ATOM 704 CG GLU A 44 -10.014 -10.010 2.551 1.00 0.00 C ATOM 705 CD GLU A 44 -11.255 -9.162 2.757 1.00 0.00 C ATOM 706 OE1 GLU A 44 -12.341 -9.576 2.302 1.00 0.00 O ATOM 707 OE2 GLU A 44 -11.140 -8.083 3.377 1.00 0.00 O ATOM 0 H GLU A 44 -8.572 -11.592 1.258 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.424 -13.286 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.909 -11.286 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.190 -11.027 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.128 -9.393 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.987 -10.363 1.520 1.00 0.00 H new ATOM 714 N VAL A 45 -11.685 -13.856 2.641 1.00 0.00 N ATOM 715 CA VAL A 45 -12.900 -14.375 2.028 1.00 0.00 C ATOM 716 C VAL A 45 -14.046 -14.395 3.033 1.00 0.00 C ATOM 717 O VAL A 45 -13.895 -14.888 4.150 1.00 0.00 O ATOM 718 CB VAL A 45 -12.690 -15.797 1.473 1.00 0.00 C ATOM 719 CG1 VAL A 45 -11.887 -15.755 0.183 1.00 0.00 C ATOM 720 CG2 VAL A 45 -12.007 -16.678 2.508 1.00 0.00 C ATOM 0 H VAL A 45 -11.500 -14.216 3.577 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.151 -13.710 1.202 1.00 0.00 H new ATOM 0 HB VAL A 45 -13.666 -16.228 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.749 -16.769 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.422 -15.162 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.913 -15.304 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.867 -17.678 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.037 -16.252 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.627 -16.736 3.403 1.00 0.00 H new ATOM 730 N VAL A 46 -15.190 -13.849 2.632 1.00 0.00 N ATOM 731 CA VAL A 46 -16.355 -13.801 3.505 1.00 0.00 C ATOM 732 C VAL A 46 -17.631 -14.148 2.746 1.00 0.00 C ATOM 733 O VAL A 46 -17.610 -14.343 1.529 1.00 0.00 O ATOM 734 CB VAL A 46 -16.515 -12.410 4.148 1.00 0.00 C ATOM 735 CG1 VAL A 46 -15.306 -12.081 5.011 1.00 0.00 C ATOM 736 CG2 VAL A 46 -16.720 -11.345 3.081 1.00 0.00 C ATOM 0 H VAL A 46 -15.334 -13.435 1.711 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.193 -14.541 4.288 1.00 0.00 H new ATOM 0 HB VAL A 46 -17.399 -12.426 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -15.435 -11.095 5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -15.208 -12.827 5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.407 -12.085 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -16.831 -10.370 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.858 -11.328 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -17.618 -11.573 2.507 1.00 0.00 H new ATOM 746 N GLU A 47 -18.742 -14.221 3.471 1.00 0.00 N ATOM 747 CA GLU A 47 -20.030 -14.543 2.870 1.00 0.00 C ATOM 748 C GLU A 47 -21.114 -13.590 3.365 1.00 0.00 C ATOM 749 O GLU A 47 -20.835 -12.658 4.118 1.00 0.00 O ATOM 750 CB GLU A 47 -20.420 -15.987 3.189 1.00 0.00 C ATOM 751 CG GLU A 47 -19.923 -16.993 2.163 1.00 0.00 C ATOM 752 CD GLU A 47 -19.361 -18.248 2.801 1.00 0.00 C ATOM 753 OE1 GLU A 47 -20.154 -19.154 3.130 1.00 0.00 O ATOM 754 OE2 GLU A 47 -18.125 -18.326 2.970 1.00 0.00 O ATOM 0 H GLU A 47 -18.776 -14.061 4.478 1.00 0.00 H new ATOM 0 HA GLU A 47 -19.937 -14.430 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -20.023 -16.254 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -21.506 -16.055 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -20.743 -17.264 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -19.154 -16.528 1.547 1.00 0.00 H new ATOM 761 N LEU A 48 -22.348 -13.830 2.935 1.00 0.00 N ATOM 762 CA LEU A 48 -23.473 -12.992 3.337 1.00 0.00 C ATOM 763 C LEU A 48 -24.462 -13.780 4.190 1.00 0.00 C ATOM 764 O LEU A 48 -24.786 -14.927 3.882 1.00 0.00 O ATOM 765 CB LEU A 48 -24.180 -12.428 2.103 1.00 0.00 C ATOM 766 CG LEU A 48 -23.505 -11.210 1.469 1.00 0.00 C ATOM 767 CD1 LEU A 48 -23.581 -10.012 2.403 1.00 0.00 C ATOM 768 CD2 LEU A 48 -22.059 -11.527 1.121 1.00 0.00 C ATOM 0 H LEU A 48 -22.595 -14.597 2.309 1.00 0.00 H new ATOM 0 HA LEU A 48 -23.085 -12.167 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -24.252 -13.216 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -25.199 -12.157 2.379 1.00 0.00 H new ATOM 0 HG LEU A 48 -24.034 -10.961 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -23.096 -9.155 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -24.625 -9.773 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -23.076 -10.248 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -21.593 -10.651 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -21.518 -11.801 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -22.028 -12.357 0.415 1.00 0.00 H new ATOM 780 N ARG A 49 -24.941 -13.155 5.261 1.00 0.00 N ATOM 781 CA ARG A 49 -25.894 -13.797 6.158 1.00 0.00 C ATOM 782 C ARG A 49 -27.041 -12.851 6.498 1.00 0.00 C ATOM 783 O ARG A 49 -27.563 -12.871 7.612 1.00 0.00 O ATOM 784 CB ARG A 49 -25.194 -14.252 7.440 1.00 0.00 C ATOM 785 CG ARG A 49 -25.773 -15.530 8.027 1.00 0.00 C ATOM 786 CD ARG A 49 -25.470 -16.733 7.151 1.00 0.00 C ATOM 787 NE ARG A 49 -26.493 -17.770 7.271 1.00 0.00 N ATOM 788 CZ ARG A 49 -26.563 -18.628 8.284 1.00 0.00 C ATOM 789 NH1 ARG A 49 -25.673 -18.581 9.268 1.00 0.00 N ATOM 790 NH2 ARG A 49 -27.527 -19.539 8.316 1.00 0.00 N ATOM 0 H ARG A 49 -24.684 -12.205 5.528 1.00 0.00 H new ATOM 0 HA ARG A 49 -26.304 -14.669 5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -24.135 -14.405 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -25.261 -13.457 8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -25.363 -15.692 9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -26.852 -15.423 8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -25.397 -16.415 6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -24.500 -17.147 7.427 1.00 0.00 H new ATOM 0 HE ARG A 49 -27.195 -17.839 6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -24.929 -17.883 9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -25.733 -19.243 10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -28.214 -19.581 7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -27.581 -20.197 9.093 1.00 0.00 H new ATOM 804 N GLU A 50 -27.426 -12.024 5.531 1.00 0.00 N ATOM 805 CA GLU A 50 -28.510 -11.069 5.730 1.00 0.00 C ATOM 806 C GLU A 50 -28.180 -10.098 6.858 1.00 0.00 C ATOM 807 O GLU A 50 -27.287 -10.351 7.667 1.00 0.00 O ATOM 808 CB GLU A 50 -29.815 -11.805 6.037 1.00 0.00 C ATOM 809 CG GLU A 50 -30.508 -12.359 4.803 1.00 0.00 C ATOM 810 CD GLU A 50 -30.666 -13.867 4.848 1.00 0.00 C ATOM 811 OE1 GLU A 50 -29.679 -14.558 5.170 1.00 0.00 O ATOM 812 OE2 GLU A 50 -31.781 -14.355 4.560 1.00 0.00 O ATOM 0 H GLU A 50 -27.004 -11.996 4.603 1.00 0.00 H new ATOM 0 HA GLU A 50 -28.632 -10.498 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -29.607 -12.625 6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -30.494 -11.124 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -31.491 -11.898 4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -29.937 -12.084 3.916 1.00 0.00 H new ATOM 819 N GLY A 51 -28.906 -8.986 6.907 1.00 0.00 N ATOM 820 CA GLY A 51 -28.675 -7.995 7.940 1.00 0.00 C ATOM 821 C GLY A 51 -27.631 -6.971 7.537 1.00 0.00 C ATOM 822 O GLY A 51 -27.888 -5.767 7.573 1.00 0.00 O ATOM 0 H GLY A 51 -29.650 -8.754 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -29.611 -7.485 8.166 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -28.355 -8.495 8.854 1.00 0.00 H new ATOM 826 N GLY A 52 -26.453 -7.450 7.152 1.00 0.00 N ATOM 827 CA GLY A 52 -25.386 -6.554 6.747 1.00 0.00 C ATOM 828 C GLY A 52 -24.243 -7.283 6.067 1.00 0.00 C ATOM 829 O GLY A 52 -24.158 -7.311 4.839 1.00 0.00 O ATOM 0 H GLY A 52 -26.218 -8.442 7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -25.786 -5.800 6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -25.007 -6.026 7.622 1.00 0.00 H new ATOM 833 N LYS A 53 -23.363 -7.876 6.867 1.00 0.00 N ATOM 834 CA LYS A 53 -22.219 -8.608 6.336 1.00 0.00 C ATOM 835 C LYS A 53 -21.703 -9.622 7.352 1.00 0.00 C ATOM 836 O LYS A 53 -22.094 -9.599 8.519 1.00 0.00 O ATOM 837 CB LYS A 53 -21.101 -7.638 5.949 1.00 0.00 C ATOM 838 CG LYS A 53 -21.131 -7.230 4.484 1.00 0.00 C ATOM 839 CD LYS A 53 -20.994 -5.725 4.319 1.00 0.00 C ATOM 840 CE LYS A 53 -19.573 -5.330 3.955 1.00 0.00 C ATOM 841 NZ LYS A 53 -19.318 -5.455 2.494 1.00 0.00 N ATOM 0 H LYS A 53 -23.420 -7.864 7.885 1.00 0.00 H new ATOM 0 HA LYS A 53 -22.545 -9.147 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -21.176 -6.744 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -20.138 -8.099 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -20.323 -7.730 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -22.066 -7.563 4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.678 -5.379 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -21.284 -5.229 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -19.391 -4.302 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.870 -5.959 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.338 -5.176 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -19.467 -6.441 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.971 -4.835 1.973 1.00 0.00 H new ATOM 855 N LYS A 54 -20.824 -10.511 6.902 1.00 0.00 N ATOM 856 CA LYS A 54 -20.256 -11.533 7.771 1.00 0.00 C ATOM 857 C LYS A 54 -18.770 -11.730 7.483 1.00 0.00 C ATOM 858 O LYS A 54 -18.252 -11.240 6.480 1.00 0.00 O ATOM 859 CB LYS A 54 -21.002 -12.857 7.593 1.00 0.00 C ATOM 860 CG LYS A 54 -21.269 -13.589 8.898 1.00 0.00 C ATOM 861 CD LYS A 54 -21.763 -15.005 8.654 1.00 0.00 C ATOM 862 CE LYS A 54 -20.624 -16.010 8.714 1.00 0.00 C ATOM 863 NZ LYS A 54 -20.007 -16.071 10.068 1.00 0.00 N ATOM 0 H LYS A 54 -20.490 -10.544 5.939 1.00 0.00 H new ATOM 0 HA LYS A 54 -20.366 -11.198 8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -21.952 -12.664 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -20.422 -13.505 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -20.356 -13.619 9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.010 -13.040 9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -22.516 -15.262 9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -22.247 -15.060 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -20.996 -16.997 8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.864 -15.741 7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.018 -15.753 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.534 -15.454 10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.037 -17.049 10.419 1.00 0.00 H new ATOM 877 N GLU A 55 -18.090 -12.450 8.371 1.00 0.00 N ATOM 878 CA GLU A 55 -16.665 -12.713 8.213 1.00 0.00 C ATOM 879 C GLU A 55 -16.369 -14.203 8.353 1.00 0.00 C ATOM 880 O GLU A 55 -17.105 -14.930 9.020 1.00 0.00 O ATOM 881 CB GLU A 55 -15.862 -11.918 9.246 1.00 0.00 C ATOM 882 CG GLU A 55 -15.023 -10.804 8.640 1.00 0.00 C ATOM 883 CD GLU A 55 -15.736 -9.466 8.647 1.00 0.00 C ATOM 884 OE1 GLU A 55 -16.699 -9.303 7.868 1.00 0.00 O ATOM 885 OE2 GLU A 55 -15.333 -8.583 9.433 1.00 0.00 O ATOM 0 H GLU A 55 -18.504 -12.861 9.207 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.369 -12.396 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.549 -11.488 9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.207 -12.600 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.088 -10.716 9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.763 -11.067 7.615 1.00 0.00 H new ATOM 892 N VAL A 56 -15.289 -14.651 7.722 1.00 0.00 N ATOM 893 CA VAL A 56 -14.899 -16.055 7.780 1.00 0.00 C ATOM 894 C VAL A 56 -13.425 -16.206 8.145 1.00 0.00 C ATOM 895 O VAL A 56 -13.094 -16.595 9.265 1.00 0.00 O ATOM 896 CB VAL A 56 -15.169 -16.770 6.442 1.00 0.00 C ATOM 897 CG1 VAL A 56 -14.913 -18.263 6.570 1.00 0.00 C ATOM 898 CG2 VAL A 56 -16.591 -16.505 5.972 1.00 0.00 C ATOM 0 H VAL A 56 -14.669 -14.063 7.165 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.507 -16.519 8.557 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.483 -16.371 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -15.109 -18.749 5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.875 -18.431 6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -15.571 -18.681 7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.763 -17.018 5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -17.295 -16.873 6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.735 -15.433 5.835 1.00 0.00 H new ATOM 908 N VAL A 57 -12.543 -15.902 7.196 1.00 0.00 N ATOM 909 CA VAL A 57 -11.107 -16.010 7.431 1.00 0.00 C ATOM 910 C VAL A 57 -10.314 -15.175 6.431 1.00 0.00 C ATOM 911 O VAL A 57 -10.873 -14.618 5.487 1.00 0.00 O ATOM 912 CB VAL A 57 -10.630 -17.474 7.345 1.00 0.00 C ATOM 913 CG1 VAL A 57 -11.011 -18.235 8.606 1.00 0.00 C ATOM 914 CG2 VAL A 57 -11.205 -18.152 6.110 1.00 0.00 C ATOM 0 H VAL A 57 -12.796 -15.581 6.262 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.928 -15.632 8.438 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.543 -17.478 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.666 -19.266 8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.546 -17.762 9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.094 -18.223 8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.857 -19.184 6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.294 -18.138 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.876 -17.620 5.217 1.00 0.00 H new ATOM 924 N ARG A 58 -9.004 -15.097 6.646 1.00 0.00 N ATOM 925 CA ARG A 58 -8.124 -14.334 5.767 1.00 0.00 C ATOM 926 C ARG A 58 -6.676 -14.792 5.922 1.00 0.00 C ATOM 927 O ARG A 58 -6.155 -14.867 7.035 1.00 0.00 O ATOM 928 CB ARG A 58 -8.237 -12.838 6.065 1.00 0.00 C ATOM 929 CG ARG A 58 -7.960 -12.480 7.518 1.00 0.00 C ATOM 930 CD ARG A 58 -9.232 -12.501 8.350 1.00 0.00 C ATOM 931 NE ARG A 58 -8.962 -12.799 9.754 1.00 0.00 N ATOM 932 CZ ARG A 58 -9.884 -13.228 10.612 1.00 0.00 C ATOM 933 NH1 ARG A 58 -11.137 -13.408 10.215 1.00 0.00 N ATOM 934 NH2 ARG A 58 -9.552 -13.478 11.872 1.00 0.00 N ATOM 0 H ARG A 58 -8.528 -15.554 7.423 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.435 -14.512 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.539 -12.296 5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.239 -12.499 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.239 -13.183 7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.507 -11.490 7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.731 -11.535 8.274 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.917 -13.246 7.946 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.010 -12.671 10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.398 -13.217 9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.840 -13.737 10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.590 -13.341 12.183 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.259 -13.807 12.530 1.00 0.00 H new ATOM 948 N LYS A 59 -6.033 -15.099 4.801 1.00 0.00 N ATOM 949 CA LYS A 59 -4.644 -15.549 4.818 1.00 0.00 C ATOM 950 C LYS A 59 -3.702 -14.400 4.476 1.00 0.00 C ATOM 951 O LYS A 59 -4.144 -13.323 4.077 1.00 0.00 O ATOM 952 CB LYS A 59 -4.435 -16.708 3.836 1.00 0.00 C ATOM 953 CG LYS A 59 -5.705 -17.481 3.514 1.00 0.00 C ATOM 954 CD LYS A 59 -5.392 -18.849 2.929 1.00 0.00 C ATOM 955 CE LYS A 59 -4.608 -19.707 3.907 1.00 0.00 C ATOM 956 NZ LYS A 59 -4.640 -21.148 3.533 1.00 0.00 N ATOM 0 H LYS A 59 -6.449 -15.045 3.871 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.418 -15.900 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.016 -16.315 2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.699 -17.396 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.300 -17.599 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.309 -16.912 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.321 -19.354 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.820 -18.730 2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.574 -19.364 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.019 -19.583 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.093 -21.699 4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.625 -21.483 3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.224 -21.271 2.588 1.00 0.00 H new ATOM 970 N LYS A 60 -2.405 -14.633 4.639 1.00 0.00 N ATOM 971 CA LYS A 60 -1.407 -13.611 4.352 1.00 0.00 C ATOM 972 C LYS A 60 -0.709 -13.874 3.022 1.00 0.00 C ATOM 973 O LYS A 60 -0.129 -14.939 2.812 1.00 0.00 O ATOM 974 CB LYS A 60 -0.373 -13.549 5.477 1.00 0.00 C ATOM 975 CG LYS A 60 -0.844 -12.767 6.692 1.00 0.00 C ATOM 976 CD LYS A 60 0.116 -12.922 7.862 1.00 0.00 C ATOM 977 CE LYS A 60 0.353 -11.598 8.569 1.00 0.00 C ATOM 978 NZ LYS A 60 1.622 -10.954 8.135 1.00 0.00 N ATOM 0 H LYS A 60 -2.021 -15.519 4.968 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.923 -12.653 4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.121 -14.564 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.541 -13.095 5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.937 -11.712 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.836 -13.111 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.286 -13.647 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.066 -13.319 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.482 -10.926 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.379 -11.762 9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.823 -10.136 8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.401 -11.639 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.530 -10.636 7.149 1.00 0.00 H new ATOM 992 N LEU A 61 -0.763 -12.889 2.129 1.00 0.00 N ATOM 993 CA LEU A 61 -0.131 -13.005 0.820 1.00 0.00 C ATOM 994 C LEU A 61 1.317 -12.532 0.882 1.00 0.00 C ATOM 995 O LEU A 61 2.225 -13.215 0.410 1.00 0.00 O ATOM 996 CB LEU A 61 -0.903 -12.187 -0.217 1.00 0.00 C ATOM 997 CG LEU A 61 -2.262 -12.762 -0.619 1.00 0.00 C ATOM 998 CD1 LEU A 61 -3.222 -11.646 -0.999 1.00 0.00 C ATOM 999 CD2 LEU A 61 -2.105 -13.749 -1.765 1.00 0.00 C ATOM 0 H LEU A 61 -1.239 -12.001 2.289 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.144 -14.054 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.054 -11.181 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.288 -12.091 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.678 -13.294 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.184 -12.074 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.358 -10.978 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.813 -11.085 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.082 -14.148 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.667 -13.242 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.453 -14.566 -1.455 1.00 0.00 H new ATOM 1011 N PHE A 62 1.522 -11.359 1.474 1.00 0.00 N ATOM 1012 CA PHE A 62 2.858 -10.790 1.609 1.00 0.00 C ATOM 1013 C PHE A 62 3.160 -10.481 3.075 1.00 0.00 C ATOM 1014 O PHE A 62 2.885 -9.382 3.557 1.00 0.00 O ATOM 1015 CB PHE A 62 2.985 -9.521 0.763 1.00 0.00 C ATOM 1016 CG PHE A 62 2.587 -9.714 -0.673 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.277 -10.017 -1.010 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.524 -9.595 -1.689 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.909 -10.196 -2.331 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.161 -9.772 -3.010 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.852 -10.075 -3.332 1.00 0.00 C ATOM 0 H PHE A 62 0.778 -10.783 1.868 1.00 0.00 H new ATOM 0 HA PHE A 62 3.583 -11.521 1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.365 -8.739 1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.016 -9.170 0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.535 -10.114 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.550 -9.361 -1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.116 -10.430 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.900 -9.674 -3.791 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.567 -10.217 -4.364 1.00 0.00 H new ATOM 1031 N PRO A 63 3.720 -11.459 3.807 1.00 0.00 N ATOM 1032 CA PRO A 63 4.048 -11.296 5.227 1.00 0.00 C ATOM 1033 C PRO A 63 4.882 -10.050 5.505 1.00 0.00 C ATOM 1034 O PRO A 63 5.888 -9.800 4.841 1.00 0.00 O ATOM 1035 CB PRO A 63 4.851 -12.556 5.555 1.00 0.00 C ATOM 1036 CG PRO A 63 4.386 -13.568 4.567 1.00 0.00 C ATOM 1037 CD PRO A 63 4.068 -12.806 3.311 1.00 0.00 C ATOM 0 HA PRO A 63 3.150 -11.171 5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.922 -12.377 5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.668 -12.887 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.156 -14.317 4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.507 -14.097 4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.920 -12.776 2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.241 -13.259 2.765 1.00 0.00 H new ATOM 1045 N GLY A 64 4.459 -9.279 6.502 1.00 0.00 N ATOM 1046 CA GLY A 64 5.176 -8.072 6.872 1.00 0.00 C ATOM 1047 C GLY A 64 5.221 -7.041 5.761 1.00 0.00 C ATOM 1048 O GLY A 64 6.223 -6.343 5.602 1.00 0.00 O ATOM 0 H GLY A 64 3.629 -9.470 7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.704 -7.631 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.195 -8.335 7.157 1.00 0.00 H new ATOM 1052 N TYR A 65 4.141 -6.936 4.994 1.00 0.00 N ATOM 1053 CA TYR A 65 4.078 -5.971 3.901 1.00 0.00 C ATOM 1054 C TYR A 65 2.746 -5.225 3.907 1.00 0.00 C ATOM 1055 O TYR A 65 1.727 -5.759 4.341 1.00 0.00 O ATOM 1056 CB TYR A 65 4.279 -6.672 2.556 1.00 0.00 C ATOM 1057 CG TYR A 65 5.721 -6.716 2.105 1.00 0.00 C ATOM 1058 CD1 TYR A 65 6.492 -5.561 2.066 1.00 0.00 C ATOM 1059 CD2 TYR A 65 6.312 -7.912 1.717 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.811 -5.597 1.653 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.630 -7.956 1.306 1.00 0.00 C ATOM 1062 CZ TYR A 65 8.375 -6.796 1.274 1.00 0.00 C ATOM 1063 OH TYR A 65 9.688 -6.837 0.865 1.00 0.00 O ATOM 0 H TYR A 65 3.301 -7.504 5.107 1.00 0.00 H new ATOM 0 HA TYR A 65 4.879 -5.247 4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.898 -7.691 2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.685 -6.161 1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.054 -4.620 2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.731 -8.822 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.397 -4.690 1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.075 -8.895 1.011 1.00 0.00 H new ATOM 0 HH TYR A 65 9.930 -7.758 0.634 1.00 0.00 H new ATOM 1073 N LEU A 66 2.766 -3.987 3.419 1.00 0.00 N ATOM 1074 CA LEU A 66 1.561 -3.165 3.366 1.00 0.00 C ATOM 1075 C LEU A 66 1.536 -2.320 2.096 1.00 0.00 C ATOM 1076 O LEU A 66 2.403 -1.477 1.883 1.00 0.00 O ATOM 1077 CB LEU A 66 1.481 -2.258 4.597 1.00 0.00 C ATOM 1078 CG LEU A 66 0.482 -2.702 5.667 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.616 -1.843 6.915 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -0.937 -2.640 5.123 1.00 0.00 C ATOM 0 H LEU A 66 3.603 -3.532 3.055 1.00 0.00 H new ATOM 0 HA LEU A 66 0.698 -3.830 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.471 -2.197 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.217 -1.252 4.271 1.00 0.00 H new ATOM 0 HG LEU A 66 0.703 -3.734 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.103 -2.175 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.626 -1.937 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.422 -0.801 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.637 -2.959 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.168 -1.618 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.025 -3.299 4.259 1.00 0.00 H new ATOM 1092 N PHE A 67 0.531 -2.552 1.256 1.00 0.00 N ATOM 1093 CA PHE A 67 0.391 -1.810 0.007 1.00 0.00 C ATOM 1094 C PHE A 67 -0.287 -0.464 0.245 1.00 0.00 C ATOM 1095 O PHE A 67 -1.413 -0.405 0.740 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.416 -2.624 -1.007 1.00 0.00 C ATOM 1097 CG PHE A 67 0.086 -4.028 -1.197 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.445 -4.293 -1.244 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.803 -5.079 -1.336 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.907 -5.584 -1.427 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.349 -6.372 -1.517 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.008 -6.624 -1.564 1.00 0.00 C ATOM 0 H PHE A 67 -0.198 -3.247 1.417 1.00 0.00 H new ATOM 0 HA PHE A 67 1.390 -1.630 -0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.456 -2.661 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.399 -2.109 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.151 -3.483 -1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.865 -4.887 -1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.969 -5.779 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.054 -7.183 -1.621 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.366 -7.633 -1.708 1.00 0.00 H new ATOM 1112 N ILE A 68 0.406 0.617 -0.109 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.133 1.959 0.070 1.00 0.00 C ATOM 1114 C ILE A 68 -0.047 2.771 -1.219 1.00 0.00 C ATOM 1115 O ILE A 68 1.036 3.196 -1.624 1.00 0.00 O ATOM 1116 CB ILE A 68 0.611 2.723 1.183 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.830 1.825 2.404 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.162 3.975 1.572 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.291 1.585 2.720 1.00 0.00 C ATOM 0 H ILE A 68 1.339 0.588 -0.520 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.179 1.836 0.352 1.00 0.00 H new ATOM 0 HB ILE A 68 1.587 3.022 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.348 2.279 3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.341 0.866 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.375 4.504 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.264 4.624 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.151 3.694 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.373 0.941 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.773 1.103 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.781 2.537 2.923 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.194 2.991 -1.854 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.245 3.765 -3.091 1.00 0.00 C ATOM 1133 C GLN A 69 -1.205 5.257 -2.784 1.00 0.00 C ATOM 1134 O GLN A 69 -2.204 5.962 -2.943 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.506 3.426 -3.883 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.344 3.586 -5.385 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.660 3.478 -6.130 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -3.956 2.454 -6.747 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -4.459 4.537 -6.077 1.00 0.00 N ATOM 0 H GLN A 69 -2.099 2.646 -1.534 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.375 3.507 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.796 2.398 -3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.321 4.066 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.890 4.554 -5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.658 2.824 -5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.174 5.365 -5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.358 4.522 -6.559 1.00 0.00 H new ATOM 1148 N MET A 70 -0.046 5.727 -2.334 1.00 0.00 N ATOM 1149 CA MET A 70 0.133 7.136 -1.996 1.00 0.00 C ATOM 1150 C MET A 70 0.639 7.932 -3.194 1.00 0.00 C ATOM 1151 O MET A 70 0.855 7.382 -4.273 1.00 0.00 O ATOM 1152 CB MET A 70 1.097 7.286 -0.818 1.00 0.00 C ATOM 1153 CG MET A 70 2.471 6.690 -1.080 1.00 0.00 C ATOM 1154 SD MET A 70 3.060 5.669 0.285 1.00 0.00 S ATOM 1155 CE MET A 70 4.808 6.062 0.271 1.00 0.00 C ATOM 0 H MET A 70 0.785 5.152 -2.195 1.00 0.00 H new ATOM 0 HA MET A 70 -0.840 7.536 -1.710 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.208 8.344 -0.582 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.663 6.807 0.060 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.434 6.089 -1.988 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.183 7.495 -1.259 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.387 5.154 0.439 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.077 6.491 -0.694 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.026 6.781 1.060 1.00 0.00 H new ATOM 1165 N ASP A 71 0.840 9.231 -2.989 1.00 0.00 N ATOM 1166 CA ASP A 71 1.331 10.109 -4.045 1.00 0.00 C ATOM 1167 C ASP A 71 2.643 10.770 -3.635 1.00 0.00 C ATOM 1168 O ASP A 71 2.647 11.852 -3.048 1.00 0.00 O ATOM 1169 CB ASP A 71 0.292 11.182 -4.373 1.00 0.00 C ATOM 1170 CG ASP A 71 0.609 11.922 -5.656 1.00 0.00 C ATOM 1171 OD1 ASP A 71 1.195 11.304 -6.569 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.273 13.122 -5.749 1.00 0.00 O ATOM 0 H ASP A 71 0.670 9.699 -2.099 1.00 0.00 H new ATOM 0 HA ASP A 71 1.509 9.501 -4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.691 10.718 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.238 11.895 -3.550 1.00 0.00 H new ATOM 1177 N LEU A 72 3.756 10.115 -3.948 1.00 0.00 N ATOM 1178 CA LEU A 72 5.073 10.644 -3.610 1.00 0.00 C ATOM 1179 C LEU A 72 5.542 11.645 -4.658 1.00 0.00 C ATOM 1180 O LEU A 72 5.632 12.843 -4.391 1.00 0.00 O ATOM 1181 CB LEU A 72 6.088 9.505 -3.485 1.00 0.00 C ATOM 1182 CG LEU A 72 6.140 8.826 -2.113 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.250 7.787 -2.075 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.335 9.860 -1.015 1.00 0.00 C ATOM 0 H LEU A 72 3.773 9.219 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 72 4.995 11.158 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.858 8.751 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.079 9.895 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 72 5.190 8.319 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.273 7.314 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.066 7.030 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.208 8.271 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.370 9.360 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.270 10.395 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.505 10.567 -1.029 1.00 0.00 H new ATOM 1196 N GLY A 73 5.842 11.148 -5.853 1.00 0.00 N ATOM 1197 CA GLY A 73 6.299 12.014 -6.925 1.00 0.00 C ATOM 1198 C GLY A 73 7.810 12.127 -6.975 1.00 0.00 C ATOM 1199 O GLY A 73 8.463 11.459 -7.775 1.00 0.00 O ATOM 0 H GLY A 73 5.777 10.160 -6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.935 11.630 -7.878 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.868 13.007 -6.795 1.00 0.00 H new ATOM 1203 N ASP A 74 8.367 12.977 -6.118 1.00 0.00 N ATOM 1204 CA ASP A 74 9.810 13.175 -6.066 1.00 0.00 C ATOM 1205 C ASP A 74 10.449 12.267 -5.022 1.00 0.00 C ATOM 1206 O ASP A 74 9.891 12.054 -3.946 1.00 0.00 O ATOM 1207 CB ASP A 74 10.136 14.638 -5.754 1.00 0.00 C ATOM 1208 CG ASP A 74 10.237 15.488 -7.005 1.00 0.00 C ATOM 1209 OD1 ASP A 74 9.203 15.679 -7.679 1.00 0.00 O ATOM 1210 OD2 ASP A 74 11.351 15.963 -7.310 1.00 0.00 O ATOM 0 H ASP A 74 7.840 13.540 -5.450 1.00 0.00 H new ATOM 0 HA ASP A 74 10.220 12.919 -7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.365 15.048 -5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.077 14.689 -5.207 1.00 0.00 H new ATOM 1215 N GLU A 75 11.622 11.733 -5.347 1.00 0.00 N ATOM 1216 CA GLU A 75 12.336 10.846 -4.436 1.00 0.00 C ATOM 1217 C GLU A 75 13.433 11.600 -3.692 1.00 0.00 C ATOM 1218 O GLU A 75 14.474 11.031 -3.360 1.00 0.00 O ATOM 1219 CB GLU A 75 12.940 9.670 -5.205 1.00 0.00 C ATOM 1220 CG GLU A 75 13.990 10.084 -6.223 1.00 0.00 C ATOM 1221 CD GLU A 75 13.408 10.303 -7.606 1.00 0.00 C ATOM 1222 OE1 GLU A 75 13.030 9.305 -8.255 1.00 0.00 O ATOM 1223 OE2 GLU A 75 13.331 11.472 -8.039 1.00 0.00 O ATOM 0 H GLU A 75 12.098 11.899 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 75 11.623 10.465 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.388 8.974 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.142 9.133 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.474 11.001 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.762 9.317 -6.275 1.00 0.00 H new ATOM 1230 N GLU A 76 13.195 12.882 -3.434 1.00 0.00 N ATOM 1231 CA GLU A 76 14.165 13.711 -2.729 1.00 0.00 C ATOM 1232 C GLU A 76 14.017 13.559 -1.221 1.00 0.00 C ATOM 1233 O GLU A 76 14.978 13.245 -0.519 1.00 0.00 O ATOM 1234 CB GLU A 76 13.997 15.179 -3.126 1.00 0.00 C ATOM 1235 CG GLU A 76 14.461 15.484 -4.541 1.00 0.00 C ATOM 1236 CD GLU A 76 14.829 16.942 -4.732 1.00 0.00 C ATOM 1237 OE1 GLU A 76 13.910 17.770 -4.898 1.00 0.00 O ATOM 1238 OE2 GLU A 76 16.038 17.257 -4.716 1.00 0.00 O ATOM 0 H GLU A 76 12.340 13.369 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 76 15.164 13.378 -3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.947 15.455 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.556 15.802 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.323 14.861 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.672 15.217 -5.244 1.00 0.00 H new ATOM 1245 N GLU A 77 12.806 13.782 -0.731 1.00 0.00 N ATOM 1246 CA GLU A 77 12.524 13.671 0.696 1.00 0.00 C ATOM 1247 C GLU A 77 11.029 13.488 0.946 1.00 0.00 C ATOM 1248 O GLU A 77 10.286 14.465 1.048 1.00 0.00 O ATOM 1249 CB GLU A 77 13.027 14.910 1.434 1.00 0.00 C ATOM 1250 CG GLU A 77 12.674 16.217 0.743 1.00 0.00 C ATOM 1251 CD GLU A 77 13.065 17.432 1.560 1.00 0.00 C ATOM 1252 OE1 GLU A 77 14.174 17.431 2.134 1.00 0.00 O ATOM 1253 OE2 GLU A 77 12.261 18.387 1.626 1.00 0.00 O ATOM 0 H GLU A 77 12.001 14.041 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 77 13.047 12.793 1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.609 14.917 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.110 14.845 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.174 16.258 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.602 16.243 0.550 1.00 0.00 H new ATOM 1260 N PRO A 78 10.567 12.229 1.050 1.00 0.00 N ATOM 1261 CA PRO A 78 9.153 11.925 1.292 1.00 0.00 C ATOM 1262 C PRO A 78 8.644 12.543 2.591 1.00 0.00 C ATOM 1263 O PRO A 78 8.765 11.946 3.660 1.00 0.00 O ATOM 1264 CB PRO A 78 9.119 10.394 1.381 1.00 0.00 C ATOM 1265 CG PRO A 78 10.361 9.939 0.696 1.00 0.00 C ATOM 1266 CD PRO A 78 11.384 11.010 0.943 1.00 0.00 C ATOM 0 HA PRO A 78 8.513 12.331 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.095 10.060 2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.230 9.990 0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.696 8.980 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.190 9.801 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.952 10.823 1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.104 11.077 0.127 1.00 0.00 H new ATOM 1274 N ASN A 79 8.081 13.740 2.493 1.00 0.00 N ATOM 1275 CA ASN A 79 7.559 14.438 3.663 1.00 0.00 C ATOM 1276 C ASN A 79 6.092 14.096 3.900 1.00 0.00 C ATOM 1277 O ASN A 79 5.511 13.276 3.188 1.00 0.00 O ATOM 1278 CB ASN A 79 7.720 15.950 3.490 1.00 0.00 C ATOM 1279 CG ASN A 79 9.058 16.453 3.998 1.00 0.00 C ATOM 1280 OD1 ASN A 79 9.376 16.319 5.179 1.00 0.00 O ATOM 1281 ND2 ASN A 79 9.848 17.036 3.104 1.00 0.00 N ATOM 0 H ASN A 79 7.974 14.249 1.616 1.00 0.00 H new ATOM 0 HA ASN A 79 8.130 14.112 4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.616 16.205 2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.917 16.461 4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.760 17.395 3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.543 17.125 2.135 1.00 0.00 H new ATOM 1288 N GLU A 80 5.500 14.738 4.906 1.00 0.00 N ATOM 1289 CA GLU A 80 4.095 14.524 5.251 1.00 0.00 C ATOM 1290 C GLU A 80 3.771 13.038 5.419 1.00 0.00 C ATOM 1291 O GLU A 80 3.814 12.507 6.528 1.00 0.00 O ATOM 1292 CB GLU A 80 3.189 15.146 4.185 1.00 0.00 C ATOM 1293 CG GLU A 80 3.190 16.666 4.197 1.00 0.00 C ATOM 1294 CD GLU A 80 2.448 17.240 5.388 1.00 0.00 C ATOM 1295 OE1 GLU A 80 1.630 16.510 5.987 1.00 0.00 O ATOM 1296 OE2 GLU A 80 2.684 18.420 5.722 1.00 0.00 O ATOM 0 H GLU A 80 5.976 15.416 5.501 1.00 0.00 H new ATOM 0 HA GLU A 80 3.912 15.011 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.507 14.799 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.169 14.790 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.219 17.025 4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.734 17.033 3.278 1.00 0.00 H new ATOM 1303 N ALA A 81 3.435 12.376 4.315 1.00 0.00 N ATOM 1304 CA ALA A 81 3.090 10.958 4.335 1.00 0.00 C ATOM 1305 C ALA A 81 4.090 10.142 5.151 1.00 0.00 C ATOM 1306 O ALA A 81 3.703 9.365 6.024 1.00 0.00 O ATOM 1307 CB ALA A 81 3.003 10.420 2.915 1.00 0.00 C ATOM 0 H ALA A 81 3.394 12.803 3.389 1.00 0.00 H new ATOM 0 HA ALA A 81 2.117 10.861 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.745 9.361 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.236 10.966 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.965 10.546 2.418 1.00 0.00 H new ATOM 1313 N TRP A 82 5.373 10.316 4.859 1.00 0.00 N ATOM 1314 CA TRP A 82 6.419 9.584 5.568 1.00 0.00 C ATOM 1315 C TRP A 82 6.583 10.104 6.991 1.00 0.00 C ATOM 1316 O TRP A 82 6.920 9.346 7.903 1.00 0.00 O ATOM 1317 CB TRP A 82 7.747 9.692 4.818 1.00 0.00 C ATOM 1318 CG TRP A 82 8.569 8.440 4.880 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.903 8.351 5.161 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.114 7.100 4.660 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.304 7.037 5.130 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.225 6.251 4.823 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.876 6.536 4.338 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.133 4.869 4.678 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.788 5.163 4.194 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.910 4.343 4.363 1.00 0.00 C ATOM 0 H TRP A 82 5.715 10.954 4.140 1.00 0.00 H new ATOM 0 HA TRP A 82 6.121 8.537 5.616 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.548 9.936 3.774 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.324 10.518 5.234 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.548 9.190 5.376 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.251 6.702 5.307 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.005 7.160 4.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.997 4.235 4.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.837 4.716 3.947 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.808 3.275 4.242 1.00 0.00 H new ATOM 1337 N GLU A 83 6.350 11.397 7.178 1.00 0.00 N ATOM 1338 CA GLU A 83 6.475 12.014 8.495 1.00 0.00 C ATOM 1339 C GLU A 83 5.507 11.381 9.489 1.00 0.00 C ATOM 1340 O GLU A 83 5.808 11.271 10.678 1.00 0.00 O ATOM 1341 CB GLU A 83 6.226 13.521 8.401 1.00 0.00 C ATOM 1342 CG GLU A 83 7.473 14.358 8.629 1.00 0.00 C ATOM 1343 CD GLU A 83 7.969 15.024 7.360 1.00 0.00 C ATOM 1344 OE1 GLU A 83 8.788 14.406 6.647 1.00 0.00 O ATOM 1345 OE2 GLU A 83 7.540 16.164 7.081 1.00 0.00 O ATOM 0 H GLU A 83 6.074 12.040 6.436 1.00 0.00 H new ATOM 0 HA GLU A 83 7.490 11.845 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.818 13.753 7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.470 13.803 9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.261 15.122 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.262 13.725 9.035 1.00 0.00 H new ATOM 1352 N VAL A 84 4.344 10.969 8.996 1.00 0.00 N ATOM 1353 CA VAL A 84 3.333 10.350 9.844 1.00 0.00 C ATOM 1354 C VAL A 84 3.512 8.837 9.905 1.00 0.00 C ATOM 1355 O VAL A 84 3.499 8.243 10.982 1.00 0.00 O ATOM 1356 CB VAL A 84 1.910 10.667 9.347 1.00 0.00 C ATOM 1357 CG1 VAL A 84 0.873 10.187 10.351 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.757 12.157 9.082 1.00 0.00 C ATOM 0 H VAL A 84 4.079 11.053 8.015 1.00 0.00 H new ATOM 0 HA VAL A 84 3.463 10.768 10.842 1.00 0.00 H new ATOM 0 HB VAL A 84 1.746 10.136 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.126 10.420 9.982 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.968 9.109 10.485 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.033 10.687 11.306 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.745 12.362 8.732 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.942 12.711 10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.474 12.467 8.322 1.00 0.00 H new ATOM 1368 N VAL A 85 3.675 8.218 8.738 1.00 0.00 N ATOM 1369 CA VAL A 85 3.853 6.773 8.661 1.00 0.00 C ATOM 1370 C VAL A 85 5.114 6.331 9.399 1.00 0.00 C ATOM 1371 O VAL A 85 5.095 5.357 10.151 1.00 0.00 O ATOM 1372 CB VAL A 85 3.933 6.293 7.199 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.982 4.774 7.134 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.756 6.828 6.396 1.00 0.00 C ATOM 0 H VAL A 85 3.687 8.694 7.836 1.00 0.00 H new ATOM 0 HA VAL A 85 2.981 6.323 9.137 1.00 0.00 H new ATOM 0 HB VAL A 85 4.852 6.682 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.038 4.456 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.860 4.415 7.671 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.083 4.361 7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.829 6.479 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.824 6.471 6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.770 7.918 6.411 1.00 0.00 H new ATOM 1384 N ARG A 86 6.207 7.050 9.177 1.00 0.00 N ATOM 1385 CA ARG A 86 7.477 6.729 9.819 1.00 0.00 C ATOM 1386 C ARG A 86 7.375 6.846 11.339 1.00 0.00 C ATOM 1387 O ARG A 86 8.208 6.305 12.066 1.00 0.00 O ATOM 1388 CB ARG A 86 8.583 7.650 9.300 1.00 0.00 C ATOM 1389 CG ARG A 86 9.984 7.144 9.598 1.00 0.00 C ATOM 1390 CD ARG A 86 10.973 7.576 8.527 1.00 0.00 C ATOM 1391 NE ARG A 86 12.232 6.839 8.614 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.194 7.117 9.488 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.048 8.113 10.353 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.308 6.398 9.498 1.00 0.00 N ATOM 0 H ARG A 86 6.240 7.860 8.557 1.00 0.00 H new ATOM 0 HA ARG A 86 7.723 5.696 9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.470 7.769 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.460 8.638 9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.309 7.521 10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.972 6.056 9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.531 7.423 7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.170 8.643 8.625 1.00 0.00 H new ATOM 0 HE ARG A 86 12.381 6.066 7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.194 8.670 10.350 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.790 8.321 11.021 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.426 5.632 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.046 6.611 10.169 1.00 0.00 H new ATOM 1408 N GLY A 87 6.356 7.556 11.814 1.00 0.00 N ATOM 1409 CA GLY A 87 6.179 7.728 13.245 1.00 0.00 C ATOM 1410 C GLY A 87 5.100 6.829 13.816 1.00 0.00 C ATOM 1411 O GLY A 87 5.122 6.501 15.004 1.00 0.00 O ATOM 0 H GLY A 87 5.652 8.014 11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.122 7.522 13.751 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.927 8.768 13.453 1.00 0.00 H new ATOM 1415 N THR A 88 4.151 6.429 12.975 1.00 0.00 N ATOM 1416 CA THR A 88 3.060 5.564 13.412 1.00 0.00 C ATOM 1417 C THR A 88 3.594 4.237 13.950 1.00 0.00 C ATOM 1418 O THR A 88 4.590 3.714 13.451 1.00 0.00 O ATOM 1419 CB THR A 88 2.091 5.305 12.257 1.00 0.00 C ATOM 1420 OG1 THR A 88 2.793 5.186 11.032 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.054 6.393 12.088 1.00 0.00 C ATOM 0 H THR A 88 4.115 6.689 11.989 1.00 0.00 H new ATOM 0 HA THR A 88 2.529 6.073 14.216 1.00 0.00 H new ATOM 0 HB THR A 88 1.580 4.377 12.512 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.724 4.936 11.211 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.400 6.146 11.252 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.462 6.476 12.999 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.552 7.343 11.891 1.00 0.00 H new ATOM 1429 N PRO A 89 2.934 3.672 14.977 1.00 0.00 N ATOM 1430 CA PRO A 89 3.349 2.401 15.578 1.00 0.00 C ATOM 1431 C PRO A 89 3.419 1.273 14.552 1.00 0.00 C ATOM 1432 O PRO A 89 4.161 0.306 14.727 1.00 0.00 O ATOM 1433 CB PRO A 89 2.256 2.112 16.611 1.00 0.00 C ATOM 1434 CG PRO A 89 1.647 3.438 16.907 1.00 0.00 C ATOM 1435 CD PRO A 89 1.736 4.227 15.632 1.00 0.00 C ATOM 0 HA PRO A 89 4.349 2.465 16.007 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.515 1.416 16.218 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.673 1.659 17.511 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.611 3.329 17.227 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.179 3.940 17.715 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.845 4.100 15.017 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.841 5.295 15.825 1.00 0.00 H new ATOM 1443 N GLY A 90 2.638 1.402 13.483 1.00 0.00 N ATOM 1444 CA GLY A 90 2.624 0.386 12.445 1.00 0.00 C ATOM 1445 C GLY A 90 4.006 0.098 11.890 1.00 0.00 C ATOM 1446 O GLY A 90 4.313 -1.038 11.529 1.00 0.00 O ATOM 0 H GLY A 90 2.015 2.192 13.317 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.200 -0.534 12.848 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.971 0.710 11.634 1.00 0.00 H new ATOM 1450 N ILE A 91 4.841 1.129 11.824 1.00 0.00 N ATOM 1451 CA ILE A 91 6.196 0.982 11.311 1.00 0.00 C ATOM 1452 C ILE A 91 7.198 0.808 12.448 1.00 0.00 C ATOM 1453 O ILE A 91 6.977 1.284 13.562 1.00 0.00 O ATOM 1454 CB ILE A 91 6.612 2.196 10.457 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.540 2.499 9.408 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.956 1.942 9.790 1.00 0.00 C ATOM 1457 CD1 ILE A 91 5.251 1.334 8.487 1.00 0.00 C ATOM 0 H ILE A 91 4.602 2.076 12.120 1.00 0.00 H new ATOM 0 HA ILE A 91 6.200 0.090 10.685 1.00 0.00 H new ATOM 0 HB ILE A 91 6.712 3.063 11.110 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.619 2.789 9.914 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.858 3.354 8.811 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.235 2.809 9.191 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.714 1.770 10.554 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.883 1.065 9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.482 1.620 7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.160 1.058 7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.902 0.484 9.074 1.00 0.00 H new ATOM 1469 N THR A 92 8.299 0.122 12.161 1.00 0.00 N ATOM 1470 CA THR A 92 9.334 -0.116 13.161 1.00 0.00 C ATOM 1471 C THR A 92 10.523 -0.851 12.550 1.00 0.00 C ATOM 1472 O THR A 92 11.677 -0.558 12.867 1.00 0.00 O ATOM 1473 CB THR A 92 8.768 -0.922 14.330 1.00 0.00 C ATOM 1474 OG1 THR A 92 9.804 -1.334 15.204 1.00 0.00 O ATOM 1475 CG2 THR A 92 8.015 -2.160 13.895 1.00 0.00 C ATOM 0 H THR A 92 8.498 -0.279 11.244 1.00 0.00 H new ATOM 0 HA THR A 92 9.677 0.851 13.528 1.00 0.00 H new ATOM 0 HB THR A 92 8.071 -0.251 14.832 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.421 -1.847 15.946 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.640 -2.685 14.773 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.178 -1.872 13.260 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.684 -2.816 13.338 1.00 0.00 H new ATOM 1483 N GLY A 93 10.236 -1.809 11.675 1.00 0.00 N ATOM 1484 CA GLY A 93 11.292 -2.572 11.036 1.00 0.00 C ATOM 1485 C GLY A 93 11.647 -2.035 9.663 1.00 0.00 C ATOM 1486 O GLY A 93 12.816 -2.028 9.278 1.00 0.00 O ATOM 0 H GLY A 93 9.290 -2.071 11.397 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.180 -2.558 11.669 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.981 -3.613 10.946 1.00 0.00 H new ATOM 1490 N PHE A 94 10.632 -1.587 8.926 1.00 0.00 N ATOM 1491 CA PHE A 94 10.828 -1.042 7.582 1.00 0.00 C ATOM 1492 C PHE A 94 11.744 -1.933 6.745 1.00 0.00 C ATOM 1493 O PHE A 94 12.108 -3.034 7.162 1.00 0.00 O ATOM 1494 CB PHE A 94 11.396 0.378 7.656 1.00 0.00 C ATOM 1495 CG PHE A 94 12.757 0.454 8.290 1.00 0.00 C ATOM 1496 CD1 PHE A 94 13.896 0.183 7.549 1.00 0.00 C ATOM 1497 CD2 PHE A 94 12.894 0.796 9.625 1.00 0.00 C ATOM 1498 CE1 PHE A 94 15.149 0.253 8.130 1.00 0.00 C ATOM 1499 CE2 PHE A 94 14.145 0.866 10.211 1.00 0.00 C ATOM 1500 CZ PHE A 94 15.273 0.594 9.463 1.00 0.00 C ATOM 0 H PHE A 94 9.661 -1.591 9.238 1.00 0.00 H new ATOM 0 HA PHE A 94 9.854 -1.009 7.094 1.00 0.00 H new ATOM 0 HB2 PHE A 94 11.451 0.790 6.649 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.707 1.006 8.220 1.00 0.00 H new ATOM 0 HD1 PHE A 94 13.804 -0.086 6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 94 12.015 1.010 10.215 1.00 0.00 H new ATOM 0 HE1 PHE A 94 16.030 0.041 7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 94 14.239 1.133 11.253 1.00 0.00 H new ATOM 0 HZ PHE A 94 16.251 0.648 9.919 1.00 0.00 H new ATOM 1510 N VAL A 95 12.108 -1.454 5.559 1.00 0.00 N ATOM 1511 CA VAL A 95 12.976 -2.212 4.665 1.00 0.00 C ATOM 1512 C VAL A 95 14.376 -2.356 5.252 1.00 0.00 C ATOM 1513 O VAL A 95 15.163 -1.411 5.245 1.00 0.00 O ATOM 1514 CB VAL A 95 13.077 -1.544 3.281 1.00 0.00 C ATOM 1515 CG1 VAL A 95 11.731 -1.579 2.572 1.00 0.00 C ATOM 1516 CG2 VAL A 95 13.583 -0.117 3.411 1.00 0.00 C ATOM 0 H VAL A 95 11.816 -0.547 5.196 1.00 0.00 H new ATOM 0 HA VAL A 95 12.529 -3.200 4.551 1.00 0.00 H new ATOM 0 HB VAL A 95 13.793 -2.104 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.821 -1.103 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.415 -2.614 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.991 -1.045 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 95 13.647 0.338 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 95 12.895 0.458 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 95 14.570 -0.122 3.873 1.00 0.00 H new ATOM 1526 N GLY A 96 14.677 -3.547 5.761 1.00 0.00 N ATOM 1527 CA GLY A 96 15.983 -3.793 6.344 1.00 0.00 C ATOM 1528 C GLY A 96 17.099 -3.708 5.323 1.00 0.00 C ATOM 1529 O GLY A 96 18.219 -3.312 5.648 1.00 0.00 O ATOM 0 H GLY A 96 14.041 -4.344 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.165 -3.069 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.991 -4.781 6.805 1.00 0.00 H new ATOM 1533 N ALA A 97 16.797 -4.083 4.084 1.00 0.00 N ATOM 1534 CA ALA A 97 17.782 -4.047 3.013 1.00 0.00 C ATOM 1535 C ALA A 97 17.525 -2.877 2.069 1.00 0.00 C ATOM 1536 O ALA A 97 16.943 -3.045 0.998 1.00 0.00 O ATOM 1537 CB ALA A 97 17.772 -5.360 2.244 1.00 0.00 C ATOM 0 H ALA A 97 15.876 -4.416 3.798 1.00 0.00 H new ATOM 0 HA ALA A 97 18.766 -3.908 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.513 -5.320 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 97 18.012 -6.180 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.784 -5.522 1.814 1.00 0.00 H new ATOM 1543 N GLY A 98 17.964 -1.689 2.477 1.00 0.00 N ATOM 1544 CA GLY A 98 17.771 -0.508 1.657 1.00 0.00 C ATOM 1545 C GLY A 98 17.389 0.709 2.477 1.00 0.00 C ATOM 1546 O GLY A 98 17.824 0.859 3.619 1.00 0.00 O ATOM 0 H GLY A 98 18.449 -1.525 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.688 -0.298 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.993 -0.704 0.919 1.00 0.00 H new ATOM 1550 N MET A 99 16.574 1.583 1.894 1.00 0.00 N ATOM 1551 CA MET A 99 16.134 2.791 2.580 1.00 0.00 C ATOM 1552 C MET A 99 14.803 3.282 2.020 1.00 0.00 C ATOM 1553 O MET A 99 13.824 3.425 2.753 1.00 0.00 O ATOM 1554 CB MET A 99 17.194 3.888 2.452 1.00 0.00 C ATOM 1555 CG MET A 99 17.433 4.655 3.744 1.00 0.00 C ATOM 1556 SD MET A 99 19.106 5.319 3.856 1.00 0.00 S ATOM 1557 CE MET A 99 19.615 4.682 5.452 1.00 0.00 C ATOM 0 H MET A 99 16.206 1.476 0.949 1.00 0.00 H new ATOM 0 HA MET A 99 15.995 2.551 3.634 1.00 0.00 H new ATOM 0 HB2 MET A 99 18.132 3.439 2.126 1.00 0.00 H new ATOM 0 HB3 MET A 99 16.889 4.588 1.674 1.00 0.00 H new ATOM 0 HG2 MET A 99 16.716 5.473 3.815 1.00 0.00 H new ATOM 0 HG3 MET A 99 17.250 3.996 4.593 1.00 0.00 H new ATOM 0 HE1 MET A 99 20.633 5.008 5.666 1.00 0.00 H new ATOM 0 HE2 MET A 99 18.944 5.058 6.224 1.00 0.00 H new ATOM 0 HE3 MET A 99 19.578 3.593 5.438 1.00 0.00 H new ATOM 1567 N ARG A 100 14.773 3.541 0.716 1.00 0.00 N ATOM 1568 CA ARG A 100 13.561 4.015 0.059 1.00 0.00 C ATOM 1569 C ARG A 100 12.538 2.890 -0.080 1.00 0.00 C ATOM 1570 O ARG A 100 12.902 1.720 -0.203 1.00 0.00 O ATOM 1571 CB ARG A 100 13.896 4.590 -1.320 1.00 0.00 C ATOM 1572 CG ARG A 100 13.942 6.109 -1.351 1.00 0.00 C ATOM 1573 CD ARG A 100 15.371 6.628 -1.286 1.00 0.00 C ATOM 1574 NE ARG A 100 16.079 6.445 -2.552 1.00 0.00 N ATOM 1575 CZ ARG A 100 16.916 5.439 -2.803 1.00 0.00 C ATOM 1576 NH1 ARG A 100 17.151 4.509 -1.885 1.00 0.00 N ATOM 1577 NH2 ARG A 100 17.519 5.362 -3.981 1.00 0.00 N ATOM 0 H ARG A 100 15.574 3.430 0.094 1.00 0.00 H new ATOM 0 HA ARG A 100 13.126 4.800 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 100 14.861 4.199 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.154 4.243 -2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.465 6.469 -2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.371 6.508 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.361 7.687 -1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.909 6.110 -0.492 1.00 0.00 H new ATOM 0 HE ARG A 100 15.922 7.131 -3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.689 4.560 -0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 100 17.794 3.743 -2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.342 6.072 -4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.160 4.593 -4.176 1.00 0.00 H new ATOM 1591 N PRO A 101 11.237 3.231 -0.060 1.00 0.00 N ATOM 1592 CA PRO A 101 10.160 2.244 -0.185 1.00 0.00 C ATOM 1593 C PRO A 101 10.357 1.319 -1.383 1.00 0.00 C ATOM 1594 O PRO A 101 11.334 1.444 -2.122 1.00 0.00 O ATOM 1595 CB PRO A 101 8.911 3.105 -0.372 1.00 0.00 C ATOM 1596 CG PRO A 101 9.241 4.396 0.293 1.00 0.00 C ATOM 1597 CD PRO A 101 10.715 4.604 0.082 1.00 0.00 C ATOM 0 HA PRO A 101 10.111 1.581 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.684 3.250 -1.428 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.036 2.638 0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.665 5.215 -0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.000 4.361 1.355 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.913 5.203 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.172 5.123 0.925 1.00 0.00 H new ATOM 1605 N VAL A 102 9.426 0.388 -1.569 1.00 0.00 N ATOM 1606 CA VAL A 102 9.503 -0.559 -2.677 1.00 0.00 C ATOM 1607 C VAL A 102 8.162 -0.676 -3.399 1.00 0.00 C ATOM 1608 O VAL A 102 7.311 -1.480 -3.019 1.00 0.00 O ATOM 1609 CB VAL A 102 9.930 -1.956 -2.192 1.00 0.00 C ATOM 1610 CG1 VAL A 102 11.412 -1.975 -1.850 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.094 -2.387 -0.997 1.00 0.00 C ATOM 0 H VAL A 102 8.611 0.269 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 102 10.253 -0.174 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 102 9.759 -2.667 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.694 -2.971 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.993 -1.716 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.612 -1.251 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.411 -3.377 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.229 -1.675 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.042 -2.419 -1.281 1.00 0.00 H new ATOM 1621 N PRO A 103 7.954 0.129 -4.456 1.00 0.00 N ATOM 1622 CA PRO A 103 6.710 0.110 -5.231 1.00 0.00 C ATOM 1623 C PRO A 103 6.618 -1.105 -6.150 1.00 0.00 C ATOM 1624 O PRO A 103 7.623 -1.563 -6.691 1.00 0.00 O ATOM 1625 CB PRO A 103 6.791 1.396 -6.052 1.00 0.00 C ATOM 1626 CG PRO A 103 8.251 1.633 -6.231 1.00 0.00 C ATOM 1627 CD PRO A 103 8.914 1.121 -4.981 1.00 0.00 C ATOM 0 HA PRO A 103 5.829 0.049 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.286 1.287 -7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.314 2.228 -5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.625 1.112 -7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.459 2.693 -6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.881 0.667 -5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.092 1.923 -4.265 1.00 0.00 H new ATOM 1635 N LEU A 104 5.404 -1.621 -6.322 1.00 0.00 N ATOM 1636 CA LEU A 104 5.183 -2.782 -7.180 1.00 0.00 C ATOM 1637 C LEU A 104 4.893 -2.353 -8.614 1.00 0.00 C ATOM 1638 O LEU A 104 4.667 -1.173 -8.886 1.00 0.00 O ATOM 1639 CB LEU A 104 4.022 -3.631 -6.650 1.00 0.00 C ATOM 1640 CG LEU A 104 4.005 -3.865 -5.135 1.00 0.00 C ATOM 1641 CD1 LEU A 104 5.416 -4.046 -4.594 1.00 0.00 C ATOM 1642 CD2 LEU A 104 3.300 -2.717 -4.428 1.00 0.00 C ATOM 0 H LEU A 104 4.561 -1.255 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 104 6.094 -3.380 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.086 -3.151 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.048 -4.600 -7.148 1.00 0.00 H new ATOM 0 HG LEU A 104 3.452 -4.784 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.375 -4.210 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.882 -4.906 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.003 -3.151 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.297 -2.899 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.824 -1.784 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.273 -2.644 -4.787 1.00 0.00 H new ATOM 1654 N SER A 105 4.896 -3.318 -9.527 1.00 0.00 N ATOM 1655 CA SER A 105 4.628 -3.043 -10.933 1.00 0.00 C ATOM 1656 C SER A 105 3.136 -3.158 -11.232 1.00 0.00 C ATOM 1657 O SER A 105 2.421 -3.918 -10.580 1.00 0.00 O ATOM 1658 CB SER A 105 5.415 -4.006 -11.825 1.00 0.00 C ATOM 1659 OG SER A 105 5.893 -3.352 -12.987 1.00 0.00 O ATOM 0 H SER A 105 5.081 -4.299 -9.318 1.00 0.00 H new ATOM 0 HA SER A 105 4.947 -2.023 -11.145 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.254 -4.420 -11.266 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.779 -4.843 -12.111 1.00 0.00 H new ATOM 0 HG SER A 105 6.394 -3.989 -13.538 1.00 0.00 H new ATOM 1665 N PRO A 106 2.641 -2.401 -12.227 1.00 0.00 N ATOM 1666 CA PRO A 106 1.226 -2.423 -12.606 1.00 0.00 C ATOM 1667 C PRO A 106 0.705 -3.840 -12.827 1.00 0.00 C ATOM 1668 O PRO A 106 -0.478 -4.117 -12.624 1.00 0.00 O ATOM 1669 CB PRO A 106 1.196 -1.631 -13.914 1.00 0.00 C ATOM 1670 CG PRO A 106 2.370 -0.718 -13.829 1.00 0.00 C ATOM 1671 CD PRO A 106 3.423 -1.465 -13.058 1.00 0.00 C ATOM 0 HA PRO A 106 0.589 -2.006 -11.826 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.269 -2.291 -14.778 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.266 -1.072 -14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.730 -0.452 -14.823 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.105 0.212 -13.326 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.108 -1.993 -13.722 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.026 -0.793 -12.447 1.00 0.00 H new ATOM 1679 N ASP A 107 1.595 -4.734 -13.247 1.00 0.00 N ATOM 1680 CA ASP A 107 1.224 -6.122 -13.498 1.00 0.00 C ATOM 1681 C ASP A 107 1.074 -6.894 -12.191 1.00 0.00 C ATOM 1682 O ASP A 107 0.275 -7.825 -12.097 1.00 0.00 O ATOM 1683 CB ASP A 107 2.271 -6.797 -14.387 1.00 0.00 C ATOM 1684 CG ASP A 107 1.963 -6.642 -15.863 1.00 0.00 C ATOM 1685 OD1 ASP A 107 1.694 -5.502 -16.297 1.00 0.00 O ATOM 1686 OD2 ASP A 107 1.990 -7.660 -16.585 1.00 0.00 O ATOM 0 H ASP A 107 2.578 -4.522 -13.421 1.00 0.00 H new ATOM 0 HA ASP A 107 0.262 -6.127 -14.011 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.252 -6.370 -14.177 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.325 -7.857 -14.139 1.00 0.00 H new ATOM 1691 N GLU A 108 1.849 -6.503 -11.185 1.00 0.00 N ATOM 1692 CA GLU A 108 1.801 -7.161 -9.884 1.00 0.00 C ATOM 1693 C GLU A 108 0.778 -6.490 -8.972 1.00 0.00 C ATOM 1694 O GLU A 108 0.136 -7.147 -8.154 1.00 0.00 O ATOM 1695 CB GLU A 108 3.181 -7.137 -9.226 1.00 0.00 C ATOM 1696 CG GLU A 108 3.302 -8.071 -8.032 1.00 0.00 C ATOM 1697 CD GLU A 108 4.733 -8.215 -7.548 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.656 -8.101 -8.381 1.00 0.00 O ATOM 1699 OE2 GLU A 108 4.929 -8.440 -6.335 1.00 0.00 O ATOM 0 H GLU A 108 2.517 -5.735 -11.245 1.00 0.00 H new ATOM 0 HA GLU A 108 1.498 -8.197 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.933 -7.409 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.404 -6.119 -8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.683 -7.696 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.913 -9.053 -8.302 1.00 0.00 H new ATOM 1706 N VAL A 109 0.634 -5.177 -9.119 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.309 -4.416 -8.310 1.00 0.00 C ATOM 1708 C VAL A 109 -1.744 -4.851 -8.580 1.00 0.00 C ATOM 1709 O VAL A 109 -2.577 -4.873 -7.673 1.00 0.00 O ATOM 1710 CB VAL A 109 -0.185 -2.904 -8.579 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.074 -2.119 -7.629 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.263 -2.455 -8.460 1.00 0.00 C ATOM 0 H VAL A 109 1.159 -4.618 -9.792 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.063 -4.616 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.518 -2.707 -9.598 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.973 -1.053 -7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.112 -2.419 -7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.775 -2.321 -6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.329 -1.384 -8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.628 -2.665 -7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.872 -2.993 -9.187 1.00 0.00 H new ATOM 1722 N ARG A 110 -2.029 -5.197 -9.830 1.00 0.00 N ATOM 1723 CA ARG A 110 -3.367 -5.629 -10.215 1.00 0.00 C ATOM 1724 C ARG A 110 -3.689 -6.999 -9.628 1.00 0.00 C ATOM 1725 O ARG A 110 -4.849 -7.314 -9.363 1.00 0.00 O ATOM 1726 CB ARG A 110 -3.495 -5.664 -11.741 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.462 -4.630 -12.293 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.780 -3.288 -12.509 1.00 0.00 C ATOM 1729 NE ARG A 110 -3.223 -3.169 -13.854 1.00 0.00 N ATOM 1730 CZ ARG A 110 -3.946 -2.876 -14.934 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -5.253 -2.673 -14.830 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -3.360 -2.785 -16.120 1.00 0.00 N ATOM 0 H ARG A 110 -1.352 -5.187 -10.593 1.00 0.00 H new ATOM 0 HA ARG A 110 -4.083 -4.911 -9.816 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.512 -5.503 -12.184 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.824 -6.657 -12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.876 -4.985 -13.237 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.298 -4.508 -11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.498 -2.485 -12.341 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.984 -3.163 -11.774 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.221 -3.319 -13.973 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.709 -2.741 -13.920 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.802 -2.449 -15.660 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.355 -2.939 -16.206 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.914 -2.561 -16.947 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.658 -7.811 -9.427 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.836 -9.147 -8.870 1.00 0.00 C ATOM 1748 C HIS A 111 -3.041 -9.081 -7.361 1.00 0.00 C ATOM 1749 O HIS A 111 -3.869 -9.804 -6.806 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.628 -10.027 -9.196 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.745 -10.745 -10.504 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -1.702 -10.101 -11.723 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.903 -12.061 -10.781 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -1.829 -10.990 -12.693 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.952 -12.187 -12.148 1.00 0.00 N ATOM 0 H HIS A 111 -1.691 -7.568 -9.641 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.725 -9.586 -9.322 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.731 -9.408 -9.210 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.497 -10.759 -8.399 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -1.590 -9.096 -11.855 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.977 -12.863 -10.061 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.832 -10.774 -13.751 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.286 -8.209 -6.702 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.391 -8.051 -5.259 1.00 0.00 C ATOM 1766 C ILE A 112 -3.659 -7.290 -4.882 1.00 0.00 C ATOM 1767 O ILE A 112 -4.219 -7.494 -3.804 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.160 -7.324 -4.677 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.141 -5.854 -5.112 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.118 -8.028 -5.111 1.00 0.00 C ATOM 1771 CD1 ILE A 112 0.109 -5.110 -4.693 1.00 0.00 C ATOM 0 H ILE A 112 -1.596 -7.602 -7.145 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.436 -9.053 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.223 -7.353 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.236 -5.804 -6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.011 -5.349 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.980 -7.507 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.107 -9.057 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.183 -8.026 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.050 -4.077 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.196 -5.127 -3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.983 -5.589 -5.134 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.110 -6.417 -5.778 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.316 -5.633 -5.541 1.00 0.00 C ATOM 1785 C LEU A 113 -6.561 -6.482 -5.774 1.00 0.00 C ATOM 1786 O LEU A 113 -7.586 -6.293 -5.116 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.343 -4.406 -6.454 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.391 -3.276 -6.056 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.368 -2.197 -7.126 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -4.794 -2.687 -4.711 1.00 0.00 C ATOM 0 H LEU A 113 -3.658 -6.235 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.308 -5.300 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.101 -4.723 -7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.359 -4.012 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.387 -3.689 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.686 -1.402 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.031 -2.627 -8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.370 -1.787 -7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.106 -1.885 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.807 -2.289 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.758 -3.465 -3.948 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.467 -7.419 -6.713 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.585 -8.297 -7.030 1.00 0.00 C ATOM 1804 C GLU A 114 -7.883 -9.234 -5.864 1.00 0.00 C ATOM 1805 O GLU A 114 -9.035 -9.595 -5.622 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.282 -9.109 -8.293 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.099 -8.681 -9.502 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.328 -9.817 -10.480 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -7.543 -10.788 -10.457 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -9.292 -9.735 -11.269 1.00 0.00 O ATOM 0 H GLU A 114 -5.627 -7.589 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.464 -7.679 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.222 -9.015 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.472 -10.163 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.062 -8.294 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.587 -7.865 -10.012 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.836 -9.622 -5.144 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.984 -10.516 -4.001 1.00 0.00 C ATOM 1819 C VAL A 115 -7.619 -9.791 -2.821 1.00 0.00 C ATOM 1820 O VAL A 115 -8.393 -10.376 -2.062 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.626 -11.097 -3.560 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.820 -12.159 -2.491 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.871 -11.663 -4.755 1.00 0.00 C ATOM 0 H VAL A 115 -5.876 -9.332 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.633 -11.332 -4.319 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.030 -10.290 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.850 -12.557 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.313 -11.718 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.437 -12.966 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.915 -12.068 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.461 -12.456 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.696 -10.871 -5.483 1.00 0.00 H new ATOM 1833 N SER A 116 -7.288 -8.512 -2.670 1.00 0.00 N ATOM 1834 CA SER A 116 -7.827 -7.704 -1.583 1.00 0.00 C ATOM 1835 C SER A 116 -9.337 -7.546 -1.722 1.00 0.00 C ATOM 1836 O SER A 116 -10.098 -7.941 -0.836 1.00 0.00 O ATOM 1837 CB SER A 116 -7.159 -6.328 -1.561 1.00 0.00 C ATOM 1838 OG SER A 116 -5.865 -6.398 -0.988 1.00 0.00 O ATOM 0 H SER A 116 -6.648 -8.013 -3.288 1.00 0.00 H new ATOM 0 HA SER A 116 -7.617 -8.216 -0.644 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.090 -5.938 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.774 -5.631 -0.993 1.00 0.00 H new ATOM 0 HG SER A 116 -5.293 -5.710 -1.387 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.766 -6.966 -2.837 1.00 0.00 N ATOM 1845 CA GLY A 117 -11.183 -6.766 -3.074 1.00 0.00 C ATOM 1846 C GLY A 117 -11.473 -5.466 -3.799 1.00 0.00 C ATOM 1847 O GLY A 117 -12.395 -4.735 -3.434 1.00 0.00 O ATOM 0 H GLY A 117 -9.156 -6.630 -3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.571 -7.599 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.712 -6.773 -2.121 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.683 -5.176 -4.828 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.860 -3.954 -5.607 1.00 0.00 C ATOM 1853 C LEU A 118 -11.245 -4.279 -7.048 1.00 0.00 C ATOM 1854 O LEU A 118 -12.329 -3.920 -7.507 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.580 -3.118 -5.587 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.887 -3.019 -4.226 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.710 -2.058 -4.298 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.873 -2.575 -3.154 1.00 0.00 C ATOM 0 H LEU A 118 -9.915 -5.769 -5.142 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.667 -3.379 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.877 -3.542 -6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.818 -2.111 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.511 -4.007 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.228 -1.999 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.992 -2.416 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.065 -1.069 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.362 -2.511 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.279 -1.598 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.685 -3.299 -3.085 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.348 -4.956 -7.756 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.592 -5.328 -9.144 1.00 0.00 C ATOM 1872 C LEU A 119 -11.484 -6.563 -9.230 1.00 0.00 C ATOM 1873 O LEU A 119 -12.421 -6.610 -10.026 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.265 -5.585 -9.864 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.945 -4.610 -10.999 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -9.965 -4.744 -12.119 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -8.906 -3.182 -10.478 1.00 0.00 C ATOM 0 H LEU A 119 -9.445 -5.258 -7.391 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.107 -4.501 -9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.458 -5.544 -9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.278 -6.597 -10.268 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.962 -4.856 -11.400 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.722 -4.043 -12.918 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.945 -5.761 -12.510 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.960 -4.524 -11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.677 -2.502 -11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.875 -2.924 -10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.137 -3.096 -9.710 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.185 -7.561 -8.404 1.00 0.00 N ATOM 1890 CA GLY A 120 -11.968 -8.783 -8.402 1.00 0.00 C ATOM 1891 C GLY A 120 -12.431 -9.172 -7.012 1.00 0.00 C ATOM 1892 O GLY A 120 -12.473 -10.386 -6.718 1.00 0.00 O ATOM 1893 OXT GLY A 120 -12.752 -8.264 -6.216 1.00 0.00 O ATOM 0 H GLY A 120 -10.414 -7.545 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.836 -8.656 -9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.373 -9.593 -8.823 1.00 0.00 H new TER 1897 GLY A 120