USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 GLN : amide:sc= -0.971 K(o=-0.97,f=-3.2!) USER MOD Set 1.2: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 9 HIS :FLIP no HD1:sc= -4.64! C(o=-5.5!,f=-4.9!) USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= -0.216 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -60:sc= -0.889 USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= 0.531 (180deg=-0.49) USER MOD Single : A 21 ASN : amide:sc= -0.0957 K(o=-0.096,f=-1.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0841) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.275) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot -51:sc= 0.387 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -158:sc= 0.177 (180deg=0.0784) USER MOD Single : A 69 GLN :FLIP amide:sc= -3.59! F(o=-5.2,f=-3.6!) USER MOD Single : A 70 MET CE :methyl -128:sc= -2.14 (180deg=-6.73!) USER MOD Single : A 79 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.19) USER MOD Single : A 88 THR OG1 : rot 25:sc= -0.727 USER MOD Single : A 105 SER OG : rot 180:sc= 0.18 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 99:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 0.415 8.733 -8.840 1.00 0.00 N ATOM 15 CA ILE A 3 0.812 8.094 -7.590 1.00 0.00 C ATOM 16 C ILE A 3 1.257 6.657 -7.828 1.00 0.00 C ATOM 17 O ILE A 3 1.160 6.144 -8.943 1.00 0.00 O ATOM 18 CB ILE A 3 -0.328 8.105 -6.551 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.691 7.963 -7.233 1.00 0.00 C ATOM 20 CG2 ILE A 3 -0.274 9.381 -5.725 1.00 0.00 C ATOM 21 CD1 ILE A 3 -1.854 6.668 -7.993 1.00 0.00 C ATOM 0 HA ILE A 3 1.647 8.673 -7.196 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.194 7.252 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.475 8.033 -6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.834 8.798 -7.919 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.084 9.377 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.682 9.438 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.382 10.244 -6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.843 6.636 -8.450 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.093 6.604 -8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.744 5.828 -7.308 1.00 0.00 H new ATOM 33 N GLU A 4 1.753 6.009 -6.778 1.00 0.00 N ATOM 34 CA GLU A 4 2.217 4.632 -6.886 1.00 0.00 C ATOM 35 C GLU A 4 1.896 3.831 -5.627 1.00 0.00 C ATOM 36 O GLU A 4 1.643 4.393 -4.556 1.00 0.00 O ATOM 37 CB GLU A 4 3.724 4.601 -7.148 1.00 0.00 C ATOM 38 CG GLU A 4 4.127 5.246 -8.465 1.00 0.00 C ATOM 39 CD GLU A 4 5.151 4.426 -9.226 1.00 0.00 C ATOM 40 OE1 GLU A 4 4.747 3.479 -9.932 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.357 4.732 -9.117 1.00 0.00 O ATOM 0 H GLU A 4 1.843 6.415 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 4 1.692 4.172 -7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.237 5.110 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.064 3.565 -7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.241 5.381 -9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.534 6.238 -8.270 1.00 0.00 H new ATOM 48 N TRP A 5 1.917 2.507 -5.769 1.00 0.00 N ATOM 49 CA TRP A 5 1.639 1.609 -4.657 1.00 0.00 C ATOM 50 C TRP A 5 2.909 1.327 -3.866 1.00 0.00 C ATOM 51 O TRP A 5 3.602 0.341 -4.120 1.00 0.00 O ATOM 52 CB TRP A 5 1.058 0.290 -5.172 1.00 0.00 C ATOM 53 CG TRP A 5 -0.357 0.395 -5.648 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.785 0.459 -6.944 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.534 0.440 -4.836 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.155 0.544 -6.984 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.638 0.534 -5.704 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.761 0.408 -3.457 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.949 0.596 -5.236 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.062 0.472 -2.996 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.140 0.564 -3.883 1.00 0.00 C ATOM 0 H TRP A 5 2.125 2.034 -6.648 1.00 0.00 H new ATOM 0 HA TRP A 5 0.913 2.093 -4.004 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.680 -0.075 -5.990 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.109 -0.453 -4.376 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.140 0.445 -7.810 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.721 0.605 -7.831 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.935 0.335 -2.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.784 0.667 -5.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.250 0.451 -1.933 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.145 0.611 -3.490 1.00 0.00 H new ATOM 72 N TYR A 6 3.212 2.190 -2.906 1.00 0.00 N ATOM 73 CA TYR A 6 4.401 2.021 -2.082 1.00 0.00 C ATOM 74 C TYR A 6 4.149 0.988 -0.994 1.00 0.00 C ATOM 75 O TYR A 6 3.327 1.201 -0.101 1.00 0.00 O ATOM 76 CB TYR A 6 4.817 3.354 -1.462 1.00 0.00 C ATOM 77 CG TYR A 6 5.521 4.273 -2.432 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.893 4.191 -2.625 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.811 5.221 -3.158 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.540 5.028 -3.513 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.449 6.062 -4.049 1.00 0.00 C ATOM 82 CZ TYR A 6 6.813 5.962 -4.223 1.00 0.00 C ATOM 83 OH TYR A 6 7.454 6.798 -5.108 1.00 0.00 O ATOM 0 H TYR A 6 2.653 3.012 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 6 5.213 1.667 -2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.932 3.857 -1.073 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.473 3.162 -0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.464 3.460 -2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.742 5.302 -3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.608 4.952 -3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.883 6.794 -4.606 1.00 0.00 H new ATOM 0 HH TYR A 6 6.799 7.395 -5.527 1.00 0.00 H new ATOM 93 N ALA A 7 4.846 -0.138 -1.082 1.00 0.00 N ATOM 94 CA ALA A 7 4.680 -1.208 -0.110 1.00 0.00 C ATOM 95 C ALA A 7 5.855 -1.282 0.857 1.00 0.00 C ATOM 96 O ALA A 7 7.015 -1.211 0.453 1.00 0.00 O ATOM 97 CB ALA A 7 4.499 -2.541 -0.821 1.00 0.00 C ATOM 0 H ALA A 7 5.529 -0.332 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 7 3.786 -0.987 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.376 -3.333 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.615 -2.497 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.376 -2.749 -1.433 1.00 0.00 H new ATOM 103 N VAL A 8 5.541 -1.439 2.139 1.00 0.00 N ATOM 104 CA VAL A 8 6.562 -1.539 3.174 1.00 0.00 C ATOM 105 C VAL A 8 6.364 -2.811 3.996 1.00 0.00 C ATOM 106 O VAL A 8 5.592 -3.691 3.616 1.00 0.00 O ATOM 107 CB VAL A 8 6.558 -0.296 4.099 1.00 0.00 C ATOM 108 CG1 VAL A 8 5.615 -0.475 5.284 1.00 0.00 C ATOM 109 CG2 VAL A 8 7.970 0.031 4.570 1.00 0.00 C ATOM 0 H VAL A 8 4.584 -1.500 2.486 1.00 0.00 H new ATOM 0 HA VAL A 8 7.532 -1.583 2.679 1.00 0.00 H new ATOM 0 HB VAL A 8 6.187 0.546 3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.641 0.418 5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.600 -0.634 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.929 -1.338 5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.944 0.907 5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.375 -0.817 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.603 0.237 3.707 1.00 0.00 H new ATOM 119 N HIS A 9 7.063 -2.897 5.119 1.00 0.00 N ATOM 120 CA HIS A 9 6.962 -4.062 5.993 1.00 0.00 C ATOM 121 C HIS A 9 6.626 -3.648 7.421 1.00 0.00 C ATOM 122 O HIS A 9 6.706 -2.472 7.776 1.00 0.00 O ATOM 123 CB HIS A 9 8.272 -4.851 5.975 1.00 0.00 C ATOM 124 CG HIS A 9 8.707 -5.260 4.604 1.00 0.00 C ATOM 125 ND1 HIS A 9 8.866 -4.534 3.470 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.036 -6.558 4.273 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.283 -5.398 2.489 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 9.379 -6.612 2.999 1.00 0.00 N flip ATOM 0 H HIS A 9 7.706 -2.176 5.448 1.00 0.00 H new ATOM 0 HA HIS A 9 6.156 -4.694 5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.056 -4.247 6.431 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.158 -5.742 6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.016 -7.399 4.950 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.498 -5.129 1.465 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.669 -7.450 2.494 1.00 0.00 H new ATOM 137 N THR A 10 6.252 -4.629 8.239 1.00 0.00 N ATOM 138 CA THR A 10 5.905 -4.374 9.632 1.00 0.00 C ATOM 139 C THR A 10 6.198 -5.598 10.493 1.00 0.00 C ATOM 140 O THR A 10 6.754 -6.587 10.014 1.00 0.00 O ATOM 141 CB THR A 10 4.429 -3.993 9.751 1.00 0.00 C ATOM 142 OG1 THR A 10 3.599 -5.071 9.358 1.00 0.00 O ATOM 143 CG2 THR A 10 4.050 -2.791 8.912 1.00 0.00 C ATOM 0 H THR A 10 6.182 -5.608 7.960 1.00 0.00 H new ATOM 0 HA THR A 10 6.515 -3.544 9.989 1.00 0.00 H new ATOM 0 HB THR A 10 4.280 -3.743 10.801 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.791 -5.309 8.427 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.990 -2.575 9.043 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.637 -1.928 9.226 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.250 -3.003 7.862 1.00 0.00 H new ATOM 151 N LEU A 11 5.820 -5.527 11.764 1.00 0.00 N ATOM 152 CA LEU A 11 6.045 -6.630 12.690 1.00 0.00 C ATOM 153 C LEU A 11 4.953 -7.688 12.546 1.00 0.00 C ATOM 154 O LEU A 11 3.767 -7.367 12.496 1.00 0.00 O ATOM 155 CB LEU A 11 6.091 -6.115 14.130 1.00 0.00 C ATOM 156 CG LEU A 11 7.408 -6.370 14.865 1.00 0.00 C ATOM 157 CD1 LEU A 11 7.476 -5.546 16.141 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.564 -7.852 15.176 1.00 0.00 C ATOM 0 H LEU A 11 5.356 -4.717 12.177 1.00 0.00 H new ATOM 0 HA LEU A 11 7.004 -7.088 12.448 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.898 -5.042 14.123 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.282 -6.581 14.693 1.00 0.00 H new ATOM 0 HG LEU A 11 8.230 -6.065 14.217 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.420 -5.741 16.650 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.409 -4.486 15.894 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.648 -5.819 16.795 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.506 -8.017 15.699 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.737 -8.181 15.806 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.561 -8.421 14.246 1.00 0.00 H new ATOM 170 N VAL A 12 5.365 -8.950 12.481 1.00 0.00 N ATOM 171 CA VAL A 12 4.425 -10.056 12.343 1.00 0.00 C ATOM 172 C VAL A 12 3.435 -10.080 13.503 1.00 0.00 C ATOM 173 O VAL A 12 3.821 -10.247 14.659 1.00 0.00 O ATOM 174 CB VAL A 12 5.156 -11.410 12.280 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.986 -11.511 11.009 1.00 0.00 C ATOM 176 CG2 VAL A 12 6.029 -11.604 13.511 1.00 0.00 C ATOM 0 H VAL A 12 6.344 -9.232 12.522 1.00 0.00 H new ATOM 0 HA VAL A 12 3.886 -9.900 11.409 1.00 0.00 H new ATOM 0 HB VAL A 12 4.409 -12.204 12.263 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.495 -12.474 10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.334 -11.421 10.140 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.725 -10.710 10.992 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.537 -12.566 13.449 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.769 -10.805 13.562 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.407 -11.580 14.406 1.00 0.00 H new ATOM 186 N GLY A 13 2.156 -9.909 13.185 1.00 0.00 N ATOM 187 CA GLY A 13 1.130 -9.913 14.211 1.00 0.00 C ATOM 188 C GLY A 13 0.724 -8.513 14.627 1.00 0.00 C ATOM 189 O GLY A 13 -0.414 -8.286 15.039 1.00 0.00 O ATOM 0 H GLY A 13 1.812 -9.768 12.235 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.254 -10.448 13.843 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.494 -10.457 15.083 1.00 0.00 H new ATOM 193 N GLN A 14 1.656 -7.572 14.518 1.00 0.00 N ATOM 194 CA GLN A 14 1.393 -6.185 14.884 1.00 0.00 C ATOM 195 C GLN A 14 0.739 -5.425 13.733 1.00 0.00 C ATOM 196 O GLN A 14 0.099 -4.396 13.942 1.00 0.00 O ATOM 197 CB GLN A 14 2.692 -5.489 15.295 1.00 0.00 C ATOM 198 CG GLN A 14 3.369 -6.125 16.499 1.00 0.00 C ATOM 199 CD GLN A 14 2.946 -5.490 17.809 1.00 0.00 C ATOM 200 OE1 GLN A 14 1.785 -5.121 17.987 1.00 0.00 O ATOM 201 NE2 GLN A 14 3.889 -5.358 18.734 1.00 0.00 N ATOM 0 H GLN A 14 2.602 -7.745 14.178 1.00 0.00 H new ATOM 0 HA GLN A 14 0.704 -6.187 15.728 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.383 -5.501 14.452 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.479 -4.444 15.518 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.134 -7.189 16.523 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.450 -6.039 16.390 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.839 -5.678 18.544 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.664 -4.937 19.635 1.00 0.00 H new ATOM 210 N GLU A 15 0.904 -5.936 12.516 1.00 0.00 N ATOM 211 CA GLU A 15 0.330 -5.302 11.333 1.00 0.00 C ATOM 212 C GLU A 15 -1.173 -5.092 11.496 1.00 0.00 C ATOM 213 O GLU A 15 -1.734 -4.129 10.975 1.00 0.00 O ATOM 214 CB GLU A 15 0.605 -6.152 10.091 1.00 0.00 C ATOM 215 CG GLU A 15 0.238 -7.617 10.263 1.00 0.00 C ATOM 216 CD GLU A 15 -1.059 -7.979 9.567 1.00 0.00 C ATOM 217 OE1 GLU A 15 -1.244 -7.563 8.405 1.00 0.00 O ATOM 218 OE2 GLU A 15 -1.889 -8.680 10.184 1.00 0.00 O ATOM 0 H GLU A 15 1.431 -6.788 12.323 1.00 0.00 H new ATOM 0 HA GLU A 15 0.801 -4.327 11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.046 -5.742 9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.663 -6.078 9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.043 -8.238 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.151 -7.844 11.326 1.00 0.00 H new ATOM 225 N GLU A 16 -1.818 -6.002 12.222 1.00 0.00 N ATOM 226 CA GLU A 16 -3.258 -5.918 12.454 1.00 0.00 C ATOM 227 C GLU A 16 -3.657 -4.537 12.966 1.00 0.00 C ATOM 228 O GLU A 16 -4.436 -3.829 12.330 1.00 0.00 O ATOM 229 CB GLU A 16 -3.697 -6.990 13.452 1.00 0.00 C ATOM 230 CG GLU A 16 -5.067 -7.575 13.154 1.00 0.00 C ATOM 231 CD GLU A 16 -5.153 -8.183 11.768 1.00 0.00 C ATOM 232 OE1 GLU A 16 -4.296 -9.027 11.435 1.00 0.00 O ATOM 233 OE2 GLU A 16 -6.079 -7.814 11.014 1.00 0.00 O ATOM 0 H GLU A 16 -1.367 -6.805 12.659 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.760 -6.086 11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.961 -7.794 13.456 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.705 -6.560 14.454 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.301 -8.338 13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.821 -6.793 13.251 1.00 0.00 H new ATOM 240 N LYS A 17 -3.115 -4.160 14.120 1.00 0.00 N ATOM 241 CA LYS A 17 -3.416 -2.863 14.717 1.00 0.00 C ATOM 242 C LYS A 17 -2.688 -1.738 13.982 1.00 0.00 C ATOM 243 O LYS A 17 -3.072 -0.572 14.080 1.00 0.00 O ATOM 244 CB LYS A 17 -3.031 -2.854 16.198 1.00 0.00 C ATOM 245 CG LYS A 17 -1.535 -2.987 16.439 1.00 0.00 C ATOM 246 CD LYS A 17 -1.240 -3.870 17.642 1.00 0.00 C ATOM 247 CE LYS A 17 -1.684 -3.211 18.938 1.00 0.00 C ATOM 248 NZ LYS A 17 -0.664 -3.359 20.013 1.00 0.00 N ATOM 0 H LYS A 17 -2.466 -4.733 14.660 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.489 -2.694 14.628 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.382 -1.927 16.651 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.546 -3.671 16.704 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.059 -3.407 15.553 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.102 -1.999 16.596 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.749 -4.827 17.526 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.171 -4.081 17.687 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.874 -2.152 18.761 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.625 -3.653 19.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.004 -2.897 20.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.501 -4.369 20.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.226 -2.915 19.710 1.00 0.00 H new ATOM 262 N ALA A 18 -1.637 -2.092 13.246 1.00 0.00 N ATOM 263 CA ALA A 18 -0.863 -1.106 12.500 1.00 0.00 C ATOM 264 C ALA A 18 -1.688 -0.505 11.366 1.00 0.00 C ATOM 265 O ALA A 18 -1.510 0.658 11.006 1.00 0.00 O ATOM 266 CB ALA A 18 0.407 -1.739 11.951 1.00 0.00 C ATOM 0 H ALA A 18 -1.304 -3.051 13.151 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.590 -0.302 13.183 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.975 -0.992 11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.012 -2.116 12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.145 -2.563 11.287 1.00 0.00 H new ATOM 272 N LYS A 19 -2.588 -1.307 10.808 1.00 0.00 N ATOM 273 CA LYS A 19 -3.440 -0.852 9.714 1.00 0.00 C ATOM 274 C LYS A 19 -4.288 0.341 10.143 1.00 0.00 C ATOM 275 O LYS A 19 -4.252 1.400 9.515 1.00 0.00 O ATOM 276 CB LYS A 19 -4.344 -1.993 9.239 1.00 0.00 C ATOM 277 CG LYS A 19 -3.851 -2.671 7.970 1.00 0.00 C ATOM 278 CD LYS A 19 -2.438 -3.212 8.137 1.00 0.00 C ATOM 279 CE LYS A 19 -2.403 -4.730 8.045 1.00 0.00 C ATOM 280 NZ LYS A 19 -1.272 -5.207 7.202 1.00 0.00 N ATOM 0 H LYS A 19 -2.747 -2.273 11.094 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.798 -0.538 8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.423 -2.737 10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.347 -1.603 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.525 -3.486 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.874 -1.960 7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.792 -2.786 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.039 -2.896 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.314 -5.153 9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.344 -5.091 7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.068 -6.202 7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.528 -5.123 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.429 -4.630 7.394 1.00 0.00 H new ATOM 294 N ALA A 20 -5.050 0.162 11.217 1.00 0.00 N ATOM 295 CA ALA A 20 -5.907 1.224 11.730 1.00 0.00 C ATOM 296 C ALA A 20 -5.082 2.361 12.321 1.00 0.00 C ATOM 297 O ALA A 20 -5.376 3.536 12.100 1.00 0.00 O ATOM 298 CB ALA A 20 -6.866 0.668 12.772 1.00 0.00 C ATOM 0 H ALA A 20 -5.091 -0.708 11.748 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.484 1.626 10.897 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.501 1.471 13.148 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.488 -0.104 12.319 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.298 0.239 13.597 1.00 0.00 H new ATOM 304 N ASN A 21 -4.047 2.004 13.074 1.00 0.00 N ATOM 305 CA ASN A 21 -3.176 2.995 13.700 1.00 0.00 C ATOM 306 C ASN A 21 -2.562 3.921 12.654 1.00 0.00 C ATOM 307 O ASN A 21 -2.323 5.100 12.918 1.00 0.00 O ATOM 308 CB ASN A 21 -2.069 2.301 14.494 1.00 0.00 C ATOM 309 CG ASN A 21 -2.500 1.955 15.906 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.641 2.199 16.297 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.585 1.383 16.680 1.00 0.00 N ATOM 0 H ASN A 21 -3.790 1.036 13.266 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.781 3.595 14.379 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.770 1.390 13.975 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.193 2.948 14.533 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.816 1.128 17.640 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.651 1.199 16.314 1.00 0.00 H new ATOM 318 N LEU A 22 -2.310 3.380 11.467 1.00 0.00 N ATOM 319 CA LEU A 22 -1.723 4.160 10.382 1.00 0.00 C ATOM 320 C LEU A 22 -2.780 5.009 9.685 1.00 0.00 C ATOM 321 O LEU A 22 -2.598 6.210 9.493 1.00 0.00 O ATOM 322 CB LEU A 22 -1.049 3.231 9.369 1.00 0.00 C ATOM 323 CG LEU A 22 -0.445 3.930 8.150 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.734 4.799 8.562 1.00 0.00 C ATOM 325 CD2 LEU A 22 -0.018 2.906 7.108 1.00 0.00 C ATOM 0 H LEU A 22 -2.502 2.406 11.231 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.975 4.827 10.811 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.261 2.675 9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.782 2.502 9.024 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.206 4.574 7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.151 5.288 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.398 5.555 9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.499 4.178 9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.410 3.420 6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.727 2.238 7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.885 2.326 6.791 1.00 0.00 H new ATOM 337 N GLU A 23 -3.884 4.375 9.306 1.00 0.00 N ATOM 338 CA GLU A 23 -4.972 5.069 8.629 1.00 0.00 C ATOM 339 C GLU A 23 -5.533 6.191 9.498 1.00 0.00 C ATOM 340 O GLU A 23 -5.633 7.336 9.060 1.00 0.00 O ATOM 341 CB GLU A 23 -6.087 4.085 8.268 1.00 0.00 C ATOM 342 CG GLU A 23 -6.934 4.530 7.087 1.00 0.00 C ATOM 343 CD GLU A 23 -6.118 4.728 5.826 1.00 0.00 C ATOM 344 OE1 GLU A 23 -5.338 3.817 5.474 1.00 0.00 O ATOM 345 OE2 GLU A 23 -6.257 5.792 5.189 1.00 0.00 O ATOM 0 H GLU A 23 -4.049 3.380 9.457 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.572 5.509 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.645 3.115 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.732 3.946 9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.709 3.787 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.440 5.462 7.338 1.00 0.00 H new ATOM 352 N LYS A 24 -5.893 5.855 10.733 1.00 0.00 N ATOM 353 CA LYS A 24 -6.443 6.836 11.662 1.00 0.00 C ATOM 354 C LYS A 24 -5.479 8.002 11.856 1.00 0.00 C ATOM 355 O LYS A 24 -5.893 9.158 11.929 1.00 0.00 O ATOM 356 CB LYS A 24 -6.749 6.180 13.010 1.00 0.00 C ATOM 357 CG LYS A 24 -8.086 6.600 13.601 1.00 0.00 C ATOM 358 CD LYS A 24 -7.930 7.134 15.017 1.00 0.00 C ATOM 359 CE LYS A 24 -8.907 8.263 15.297 1.00 0.00 C ATOM 360 NZ LYS A 24 -9.240 8.364 16.745 1.00 0.00 N ATOM 0 H LYS A 24 -5.814 4.912 11.113 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.370 7.222 11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.739 5.097 12.888 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.955 6.429 13.714 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.539 7.366 12.971 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.766 5.748 13.606 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.091 6.327 15.731 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.910 7.490 15.163 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.479 9.206 14.956 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.821 8.102 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.909 9.146 16.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.672 7.474 17.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.372 8.543 17.289 1.00 0.00 H new ATOM 374 N ARG A 25 -4.190 7.689 11.937 1.00 0.00 N ATOM 375 CA ARG A 25 -3.167 8.711 12.119 1.00 0.00 C ATOM 376 C ARG A 25 -3.085 9.615 10.894 1.00 0.00 C ATOM 377 O ARG A 25 -2.928 10.830 11.015 1.00 0.00 O ATOM 378 CB ARG A 25 -1.805 8.063 12.380 1.00 0.00 C ATOM 379 CG ARG A 25 -1.583 7.685 13.836 1.00 0.00 C ATOM 380 CD ARG A 25 -0.707 8.702 14.550 1.00 0.00 C ATOM 381 NE ARG A 25 0.250 8.064 15.449 1.00 0.00 N ATOM 382 CZ ARG A 25 0.928 8.712 16.392 1.00 0.00 C ATOM 383 NH1 ARG A 25 0.758 10.016 16.564 1.00 0.00 N ATOM 384 NH2 ARG A 25 1.780 8.054 17.167 1.00 0.00 N ATOM 0 H ARG A 25 -3.830 6.736 11.879 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.442 9.317 12.982 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.712 7.170 11.763 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.019 8.750 12.067 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.544 7.611 14.344 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.118 6.701 13.890 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.170 9.299 13.813 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.336 9.388 15.118 1.00 0.00 H new ATOM 0 HE ARG A 25 0.408 7.061 15.348 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.104 10.528 15.971 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.281 10.507 17.289 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.915 7.051 17.040 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.300 8.551 17.890 1.00 0.00 H new ATOM 398 N ILE A 26 -3.195 9.015 9.713 1.00 0.00 N ATOM 399 CA ILE A 26 -3.135 9.766 8.467 1.00 0.00 C ATOM 400 C ILE A 26 -4.285 10.767 8.383 1.00 0.00 C ATOM 401 O ILE A 26 -4.131 11.862 7.845 1.00 0.00 O ATOM 402 CB ILE A 26 -3.157 8.818 7.238 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.043 9.195 6.254 1.00 0.00 C ATOM 404 CG2 ILE A 26 -4.513 8.831 6.538 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.108 8.050 5.933 1.00 0.00 C ATOM 0 H ILE A 26 -3.326 8.010 9.594 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.193 10.315 8.457 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.984 7.804 7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.493 9.556 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.465 10.020 6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.488 8.155 5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.285 8.506 7.235 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.736 9.841 6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.345 8.389 5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.630 7.703 6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.674 7.232 5.487 1.00 0.00 H new ATOM 417 N LYS A 27 -5.440 10.382 8.921 1.00 0.00 N ATOM 418 CA LYS A 27 -6.616 11.246 8.906 1.00 0.00 C ATOM 419 C LYS A 27 -6.576 12.240 10.062 1.00 0.00 C ATOM 420 O LYS A 27 -7.039 13.374 9.935 1.00 0.00 O ATOM 421 CB LYS A 27 -7.891 10.406 8.985 1.00 0.00 C ATOM 422 CG LYS A 27 -8.434 9.996 7.627 1.00 0.00 C ATOM 423 CD LYS A 27 -9.669 9.120 7.760 1.00 0.00 C ATOM 424 CE LYS A 27 -9.334 7.649 7.573 1.00 0.00 C ATOM 425 NZ LYS A 27 -9.169 6.947 8.876 1.00 0.00 N ATOM 0 H LYS A 27 -5.586 9.479 9.372 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.614 11.805 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.690 9.510 9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.656 10.971 9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.679 10.887 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.664 9.459 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.118 9.270 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.411 9.422 7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.125 7.167 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.416 7.557 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.280 5.923 8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.222 7.143 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.890 7.284 9.546 1.00 0.00 H new ATOM 439 N ALA A 28 -6.021 11.807 11.189 1.00 0.00 N ATOM 440 CA ALA A 28 -5.923 12.660 12.369 1.00 0.00 C ATOM 441 C ALA A 28 -5.103 13.912 12.077 1.00 0.00 C ATOM 442 O ALA A 28 -5.453 15.011 12.508 1.00 0.00 O ATOM 443 CB ALA A 28 -5.312 11.886 13.527 1.00 0.00 C ATOM 0 H ALA A 28 -5.633 10.872 11.311 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.930 12.974 12.645 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.244 12.533 14.402 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.939 11.025 13.760 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.315 11.544 13.250 1.00 0.00 H new ATOM 449 N PHE A 29 -4.010 13.738 11.341 1.00 0.00 N ATOM 450 CA PHE A 29 -3.139 14.854 10.990 1.00 0.00 C ATOM 451 C PHE A 29 -3.540 15.476 9.652 1.00 0.00 C ATOM 452 O PHE A 29 -3.041 16.536 9.279 1.00 0.00 O ATOM 453 CB PHE A 29 -1.683 14.389 10.930 1.00 0.00 C ATOM 454 CG PHE A 29 -1.094 14.086 12.277 1.00 0.00 C ATOM 455 CD1 PHE A 29 -0.642 15.108 13.098 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.991 12.778 12.726 1.00 0.00 C ATOM 457 CE1 PHE A 29 -0.098 14.833 14.338 1.00 0.00 C ATOM 458 CE2 PHE A 29 -0.449 12.496 13.966 1.00 0.00 C ATOM 459 CZ PHE A 29 -0.002 13.524 14.773 1.00 0.00 C ATOM 0 H PHE A 29 -3.706 12.835 10.976 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.245 15.615 11.764 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.620 13.497 10.306 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.084 15.160 10.445 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.716 16.132 12.764 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.338 11.970 12.099 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.252 15.639 14.966 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.375 11.473 14.304 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.422 13.306 15.742 1.00 0.00 H new ATOM 469 N GLY A 30 -4.439 14.809 8.931 1.00 0.00 N ATOM 470 CA GLY A 30 -4.879 15.317 7.645 1.00 0.00 C ATOM 471 C GLY A 30 -3.913 14.974 6.529 1.00 0.00 C ATOM 472 O GLY A 30 -3.178 15.835 6.049 1.00 0.00 O ATOM 0 H GLY A 30 -4.869 13.928 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.861 14.906 7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.992 16.399 7.704 1.00 0.00 H new ATOM 476 N LEU A 31 -3.911 13.709 6.122 1.00 0.00 N ATOM 477 CA LEU A 31 -3.023 13.249 5.061 1.00 0.00 C ATOM 478 C LEU A 31 -3.801 12.551 3.952 1.00 0.00 C ATOM 479 O LEU A 31 -3.244 11.746 3.203 1.00 0.00 O ATOM 480 CB LEU A 31 -1.973 12.293 5.626 1.00 0.00 C ATOM 481 CG LEU A 31 -0.747 12.964 6.237 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.120 13.940 5.249 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.116 13.676 7.530 1.00 0.00 C ATOM 0 H LEU A 31 -4.514 12.984 6.511 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.530 14.125 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.444 11.670 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.644 11.628 4.828 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.013 12.191 6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.753 14.408 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.183 13.403 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.847 14.708 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.229 14.149 7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.869 14.437 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.515 12.954 8.242 1.00 0.00 H new ATOM 495 N GLN A 32 -5.086 12.866 3.841 1.00 0.00 N ATOM 496 CA GLN A 32 -5.928 12.267 2.814 1.00 0.00 C ATOM 497 C GLN A 32 -5.711 12.944 1.460 1.00 0.00 C ATOM 498 O GLN A 32 -6.591 12.923 0.600 1.00 0.00 O ATOM 499 CB GLN A 32 -7.400 12.359 3.215 1.00 0.00 C ATOM 500 CG GLN A 32 -7.805 11.344 4.272 1.00 0.00 C ATOM 501 CD GLN A 32 -9.231 10.859 4.101 1.00 0.00 C ATOM 502 OE1 GLN A 32 -10.136 11.644 3.818 1.00 0.00 O ATOM 503 NE2 GLN A 32 -9.439 9.559 4.273 1.00 0.00 N ATOM 0 H GLN A 32 -5.566 13.531 4.448 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.649 11.218 2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.605 13.362 3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.019 12.216 2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.128 10.491 4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.693 11.790 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.659 8.944 4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.378 9.175 4.171 1.00 0.00 H new ATOM 512 N ASP A 33 -4.534 13.541 1.276 1.00 0.00 N ATOM 513 CA ASP A 33 -4.207 14.216 0.026 1.00 0.00 C ATOM 514 C ASP A 33 -3.134 13.450 -0.741 1.00 0.00 C ATOM 515 O ASP A 33 -3.025 13.571 -1.962 1.00 0.00 O ATOM 516 CB ASP A 33 -3.732 15.643 0.304 1.00 0.00 C ATOM 517 CG ASP A 33 -4.865 16.649 0.256 1.00 0.00 C ATOM 518 OD1 ASP A 33 -5.839 16.484 1.022 1.00 0.00 O ATOM 519 OD2 ASP A 33 -4.780 17.604 -0.545 1.00 0.00 O ATOM 0 H ASP A 33 -3.794 13.570 1.977 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.108 14.253 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.258 15.681 1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.973 15.919 -0.428 1.00 0.00 H new ATOM 524 N LYS A 34 -2.344 12.658 -0.019 1.00 0.00 N ATOM 525 CA LYS A 34 -1.282 11.872 -0.638 1.00 0.00 C ATOM 526 C LYS A 34 -1.646 10.391 -0.653 1.00 0.00 C ATOM 527 O LYS A 34 -1.442 9.702 -1.651 1.00 0.00 O ATOM 528 CB LYS A 34 0.037 12.078 0.109 1.00 0.00 C ATOM 529 CG LYS A 34 0.829 13.279 -0.379 1.00 0.00 C ATOM 530 CD LYS A 34 0.345 14.568 0.265 1.00 0.00 C ATOM 531 CE LYS A 34 0.340 15.720 -0.725 1.00 0.00 C ATOM 532 NZ LYS A 34 -0.273 16.947 -0.147 1.00 0.00 N ATOM 0 H LYS A 34 -2.420 12.544 0.992 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.163 12.211 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.172 12.198 1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.649 11.182 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.886 13.134 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.741 13.358 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.660 14.423 0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.987 14.817 1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.362 15.937 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.209 15.427 -1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.521 17.605 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.132 16.691 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.405 17.404 0.496 1.00 0.00 H new ATOM 546 N ILE A 35 -2.191 9.909 0.460 1.00 0.00 N ATOM 547 CA ILE A 35 -2.590 8.512 0.568 1.00 0.00 C ATOM 548 C ILE A 35 -3.990 8.309 -0.001 1.00 0.00 C ATOM 549 O ILE A 35 -4.988 8.482 0.701 1.00 0.00 O ATOM 550 CB ILE A 35 -2.557 8.026 2.032 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.165 8.243 2.629 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.950 6.558 2.118 1.00 0.00 C ATOM 553 CD1 ILE A 35 -0.915 9.663 3.086 1.00 0.00 C ATOM 0 H ILE A 35 -2.366 10.465 1.297 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.874 7.925 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.278 8.607 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.033 7.569 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.414 7.972 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.921 6.234 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.959 6.428 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.253 5.960 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.091 9.741 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.014 10.341 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.642 9.932 3.852 1.00 0.00 H new ATOM 565 N PHE A 36 -4.056 7.953 -1.277 1.00 0.00 N ATOM 566 CA PHE A 36 -5.333 7.737 -1.947 1.00 0.00 C ATOM 567 C PHE A 36 -5.882 6.347 -1.659 1.00 0.00 C ATOM 568 O PHE A 36 -7.050 6.197 -1.298 1.00 0.00 O ATOM 569 CB PHE A 36 -5.178 7.937 -3.456 1.00 0.00 C ATOM 570 CG PHE A 36 -4.523 9.238 -3.819 1.00 0.00 C ATOM 571 CD1 PHE A 36 -3.146 9.375 -3.755 1.00 0.00 C ATOM 572 CD2 PHE A 36 -5.284 10.325 -4.218 1.00 0.00 C ATOM 573 CE1 PHE A 36 -2.541 10.572 -4.080 1.00 0.00 C ATOM 574 CE2 PHE A 36 -4.682 11.525 -4.546 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.308 11.647 -4.476 1.00 0.00 C ATOM 0 H PHE A 36 -3.239 7.807 -1.870 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.043 8.467 -1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.590 7.116 -3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.161 7.890 -3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.539 8.536 -3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.359 10.234 -4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.467 10.667 -4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.285 12.366 -4.856 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.835 12.584 -4.731 1.00 0.00 H new ATOM 585 N GLN A 37 -5.043 5.330 -1.823 1.00 0.00 N ATOM 586 CA GLN A 37 -5.470 3.954 -1.578 1.00 0.00 C ATOM 587 C GLN A 37 -4.606 3.281 -0.517 1.00 0.00 C ATOM 588 O GLN A 37 -3.466 3.678 -0.280 1.00 0.00 O ATOM 589 CB GLN A 37 -5.427 3.143 -2.873 1.00 0.00 C ATOM 590 CG GLN A 37 -5.976 3.889 -4.079 1.00 0.00 C ATOM 591 CD GLN A 37 -7.088 3.130 -4.780 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.232 3.124 -4.327 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.754 2.484 -5.891 1.00 0.00 N ATOM 0 H GLN A 37 -4.073 5.428 -2.121 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.495 3.989 -1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.396 2.852 -3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.997 2.224 -2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.350 4.862 -3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.167 4.075 -4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.793 2.516 -6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.459 1.955 -6.405 1.00 0.00 H new ATOM 602 N VAL A 38 -5.165 2.254 0.116 1.00 0.00 N ATOM 603 CA VAL A 38 -4.462 1.507 1.152 1.00 0.00 C ATOM 604 C VAL A 38 -5.000 0.081 1.240 1.00 0.00 C ATOM 605 O VAL A 38 -5.763 -0.254 2.146 1.00 0.00 O ATOM 606 CB VAL A 38 -4.595 2.192 2.529 1.00 0.00 C ATOM 607 CG1 VAL A 38 -6.060 2.342 2.915 1.00 0.00 C ATOM 608 CG2 VAL A 38 -3.831 1.416 3.593 1.00 0.00 C ATOM 0 H VAL A 38 -6.110 1.919 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.407 1.482 0.878 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.159 3.188 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.132 2.827 3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.573 2.949 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.526 1.358 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.938 1.916 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.231 0.405 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.776 1.371 3.323 1.00 0.00 H new ATOM 618 N LEU A 39 -4.600 -0.751 0.285 1.00 0.00 N ATOM 619 CA LEU A 39 -5.043 -2.140 0.241 1.00 0.00 C ATOM 620 C LEU A 39 -4.247 -3.002 1.214 1.00 0.00 C ATOM 621 O LEU A 39 -3.043 -2.812 1.390 1.00 0.00 O ATOM 622 CB LEU A 39 -4.905 -2.693 -1.179 1.00 0.00 C ATOM 623 CG LEU A 39 -6.124 -2.477 -2.081 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.301 -3.316 -1.603 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.497 -1.003 -2.125 1.00 0.00 C ATOM 0 H LEU A 39 -3.968 -0.487 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.091 -2.169 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.037 -2.231 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.702 -3.762 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.867 -2.797 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.157 -3.148 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.029 -4.371 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.562 -3.030 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.365 -0.866 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.735 -0.658 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.659 -0.427 -2.518 1.00 0.00 H new ATOM 637 N ILE A 40 -4.930 -3.954 1.843 1.00 0.00 N ATOM 638 CA ILE A 40 -4.293 -4.851 2.796 1.00 0.00 C ATOM 639 C ILE A 40 -3.935 -6.182 2.139 1.00 0.00 C ATOM 640 O ILE A 40 -4.819 -6.961 1.787 1.00 0.00 O ATOM 641 CB ILE A 40 -5.206 -5.119 4.009 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.752 -3.804 4.565 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.451 -5.883 5.084 1.00 0.00 C ATOM 644 CD1 ILE A 40 -4.672 -2.827 4.976 1.00 0.00 C ATOM 0 H ILE A 40 -5.927 -4.123 1.708 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.382 -4.359 3.138 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.047 -5.730 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.387 -3.336 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.384 -4.018 5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.110 -6.064 5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.109 -6.836 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.591 -5.298 5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.132 -1.917 5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.051 -3.276 5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.054 -2.584 4.112 1.00 0.00 H new ATOM 656 N PRO A 41 -2.629 -6.460 1.955 1.00 0.00 N ATOM 657 CA PRO A 41 -2.166 -7.705 1.329 1.00 0.00 C ATOM 658 C PRO A 41 -2.657 -8.947 2.069 1.00 0.00 C ATOM 659 O PRO A 41 -1.917 -9.555 2.841 1.00 0.00 O ATOM 660 CB PRO A 41 -0.639 -7.608 1.406 1.00 0.00 C ATOM 661 CG PRO A 41 -0.347 -6.156 1.578 1.00 0.00 C ATOM 662 CD PRO A 41 -1.509 -5.583 2.337 1.00 0.00 C ATOM 0 HA PRO A 41 -2.546 -7.808 0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.249 -8.190 2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.174 -7.999 0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.585 -6.008 2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.233 -5.665 0.612 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.334 -5.599 3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.698 -4.546 2.060 1.00 0.00 H new ATOM 670 N THR A 42 -3.910 -9.316 1.827 1.00 0.00 N ATOM 671 CA THR A 42 -4.500 -10.484 2.471 1.00 0.00 C ATOM 672 C THR A 42 -5.399 -11.245 1.504 1.00 0.00 C ATOM 673 O THR A 42 -5.791 -10.721 0.460 1.00 0.00 O ATOM 674 CB THR A 42 -5.301 -10.062 3.704 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.135 -8.957 3.406 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.431 -9.678 4.881 1.00 0.00 C ATOM 0 H THR A 42 -4.536 -8.824 1.190 1.00 0.00 H new ATOM 0 HA THR A 42 -3.689 -11.144 2.780 1.00 0.00 H new ATOM 0 HB THR A 42 -5.889 -10.937 3.979 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.603 -8.250 2.984 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.062 -9.389 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.811 -10.528 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.792 -8.840 4.603 1.00 0.00 H new ATOM 948 N LYS A 59 -7.230 -14.025 5.247 1.00 0.00 N ATOM 949 CA LYS A 59 -5.938 -14.699 5.282 1.00 0.00 C ATOM 950 C LYS A 59 -4.799 -13.699 5.109 1.00 0.00 C ATOM 951 O LYS A 59 -5.013 -12.489 5.164 1.00 0.00 O ATOM 952 CB LYS A 59 -5.872 -15.770 4.189 1.00 0.00 C ATOM 953 CG LYS A 59 -6.001 -17.189 4.718 1.00 0.00 C ATOM 954 CD LYS A 59 -7.288 -17.377 5.505 1.00 0.00 C ATOM 955 CE LYS A 59 -7.044 -18.139 6.798 1.00 0.00 C ATOM 956 NZ LYS A 59 -6.841 -19.594 6.557 1.00 0.00 N ATOM 0 HA LYS A 59 -5.828 -15.178 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.666 -15.588 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.926 -15.675 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.977 -17.892 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.147 -17.420 5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.723 -16.403 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.013 -17.916 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.168 -17.729 7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.892 -17.997 7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.678 -20.077 7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.687 -19.992 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.016 -19.732 5.938 1.00 0.00 H new ATOM 970 N LYS A 60 -3.590 -14.209 4.900 1.00 0.00 N ATOM 971 CA LYS A 60 -2.421 -13.354 4.721 1.00 0.00 C ATOM 972 C LYS A 60 -1.611 -13.783 3.499 1.00 0.00 C ATOM 973 O LYS A 60 -1.050 -14.877 3.467 1.00 0.00 O ATOM 974 CB LYS A 60 -1.541 -13.391 5.973 1.00 0.00 C ATOM 975 CG LYS A 60 -1.577 -12.101 6.779 1.00 0.00 C ATOM 976 CD LYS A 60 -0.239 -11.381 6.740 1.00 0.00 C ATOM 977 CE LYS A 60 -0.370 -9.928 7.171 1.00 0.00 C ATOM 978 NZ LYS A 60 -0.075 -8.989 6.054 1.00 0.00 N ATOM 0 H LYS A 60 -3.394 -15.209 4.850 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.769 -12.334 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.862 -14.216 6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.512 -13.597 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.355 -11.447 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.841 -12.324 7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.469 -11.892 7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.169 -11.426 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.380 -9.748 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.311 -9.732 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.192 -8.061 6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.709 -9.364 5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.919 -8.885 5.456 1.00 0.00 H new ATOM 992 N LEU A 61 -1.550 -12.907 2.500 1.00 0.00 N ATOM 993 CA LEU A 61 -0.806 -13.188 1.278 1.00 0.00 C ATOM 994 C LEU A 61 0.635 -12.708 1.405 1.00 0.00 C ATOM 995 O LEU A 61 1.579 -13.467 1.183 1.00 0.00 O ATOM 996 CB LEU A 61 -1.478 -12.516 0.080 1.00 0.00 C ATOM 997 CG LEU A 61 -2.876 -13.036 -0.254 1.00 0.00 C ATOM 998 CD1 LEU A 61 -3.565 -12.111 -1.245 1.00 0.00 C ATOM 999 CD2 LEU A 61 -2.800 -14.452 -0.805 1.00 0.00 C ATOM 0 H LEU A 61 -2.008 -11.996 2.514 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.801 -14.267 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.542 -11.445 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.840 -12.645 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.465 -13.056 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.559 -12.496 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.652 -11.114 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.978 -12.059 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.804 -14.806 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.194 -14.458 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.347 -15.108 -0.062 1.00 0.00 H new ATOM 1011 N PHE A 62 0.795 -11.439 1.768 1.00 0.00 N ATOM 1012 CA PHE A 62 2.117 -10.849 1.935 1.00 0.00 C ATOM 1013 C PHE A 62 2.354 -10.480 3.400 1.00 0.00 C ATOM 1014 O PHE A 62 2.098 -9.350 3.817 1.00 0.00 O ATOM 1015 CB PHE A 62 2.261 -9.612 1.042 1.00 0.00 C ATOM 1016 CG PHE A 62 1.901 -9.865 -0.396 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.575 -9.979 -0.783 1.00 0.00 C ATOM 1018 CD2 PHE A 62 2.889 -9.988 -1.359 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.243 -10.208 -2.107 1.00 0.00 C ATOM 1020 CE2 PHE A 62 2.562 -10.218 -2.682 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.238 -10.328 -3.056 1.00 0.00 C ATOM 0 H PHE A 62 0.023 -10.799 1.952 1.00 0.00 H new ATOM 0 HA PHE A 62 2.867 -11.582 1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.627 -8.816 1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.289 -9.254 1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.207 -9.888 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.927 -9.903 -1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.794 -10.293 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.342 -10.312 -3.423 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.981 -10.508 -4.089 1.00 0.00 H new ATOM 1031 N PRO A 63 2.835 -11.447 4.204 1.00 0.00 N ATOM 1032 CA PRO A 63 3.093 -11.244 5.637 1.00 0.00 C ATOM 1033 C PRO A 63 3.910 -9.991 5.939 1.00 0.00 C ATOM 1034 O PRO A 63 5.054 -9.862 5.506 1.00 0.00 O ATOM 1035 CB PRO A 63 3.882 -12.493 6.030 1.00 0.00 C ATOM 1036 CG PRO A 63 3.434 -13.540 5.072 1.00 0.00 C ATOM 1037 CD PRO A 63 3.148 -12.827 3.779 1.00 0.00 C ATOM 0 HA PRO A 63 2.164 -11.102 6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.956 -12.322 5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.675 -12.784 7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.204 -14.299 4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.544 -14.051 5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.006 -12.855 3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.312 -13.282 3.247 1.00 0.00 H new ATOM 1045 N GLY A 64 3.316 -9.080 6.708 1.00 0.00 N ATOM 1046 CA GLY A 64 4.003 -7.855 7.085 1.00 0.00 C ATOM 1047 C GLY A 64 3.975 -6.782 6.011 1.00 0.00 C ATOM 1048 O GLY A 64 4.300 -5.626 6.280 1.00 0.00 O ATOM 0 H GLY A 64 2.369 -9.169 7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.548 -7.459 7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.040 -8.090 7.324 1.00 0.00 H new ATOM 1052 N TYR A 65 3.599 -7.156 4.793 1.00 0.00 N ATOM 1053 CA TYR A 65 3.548 -6.205 3.690 1.00 0.00 C ATOM 1054 C TYR A 65 2.277 -5.363 3.739 1.00 0.00 C ATOM 1055 O TYR A 65 1.250 -5.798 4.258 1.00 0.00 O ATOM 1056 CB TYR A 65 3.631 -6.945 2.356 1.00 0.00 C ATOM 1057 CG TYR A 65 5.018 -6.957 1.751 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.545 -5.819 1.156 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.796 -8.107 1.775 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.812 -5.826 0.602 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.063 -8.122 1.223 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.566 -6.979 0.638 1.00 0.00 C ATOM 1063 OH TYR A 65 8.827 -6.990 0.088 1.00 0.00 O ATOM 0 H TYR A 65 3.326 -8.107 4.546 1.00 0.00 H new ATOM 0 HA TYR A 65 4.401 -5.534 3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.298 -7.973 2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.941 -6.482 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.956 -4.914 1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.405 -9.004 2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.209 -4.932 0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.656 -9.024 1.250 1.00 0.00 H new ATOM 0 HH TYR A 65 9.224 -7.879 0.198 1.00 0.00 H new ATOM 1073 N LEU A 66 2.359 -4.157 3.187 1.00 0.00 N ATOM 1074 CA LEU A 66 1.217 -3.247 3.155 1.00 0.00 C ATOM 1075 C LEU A 66 1.245 -2.396 1.887 1.00 0.00 C ATOM 1076 O LEU A 66 2.208 -1.674 1.641 1.00 0.00 O ATOM 1077 CB LEU A 66 1.222 -2.347 4.393 1.00 0.00 C ATOM 1078 CG LEU A 66 0.139 -2.660 5.427 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.488 -2.039 6.771 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.216 -2.164 4.945 1.00 0.00 C ATOM 0 H LEU A 66 3.205 -3.786 2.755 1.00 0.00 H new ATOM 0 HA LEU A 66 0.303 -3.841 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.196 -2.424 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.107 -1.312 4.071 1.00 0.00 H new ATOM 0 HG LEU A 66 0.085 -3.741 5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.294 -2.272 7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.438 -2.441 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.570 -0.958 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.975 -2.395 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.175 -1.086 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.470 -2.656 4.006 1.00 0.00 H new ATOM 1092 N PHE A 67 0.187 -2.488 1.085 1.00 0.00 N ATOM 1093 CA PHE A 67 0.102 -1.725 -0.160 1.00 0.00 C ATOM 1094 C PHE A 67 -0.580 -0.378 0.064 1.00 0.00 C ATOM 1095 O PHE A 67 -1.699 -0.317 0.576 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.665 -2.517 -1.222 1.00 0.00 C ATOM 1097 CG PHE A 67 -0.248 -3.955 -1.336 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.083 -4.323 -1.214 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -1.192 -4.941 -1.571 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.463 -5.647 -1.323 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.818 -6.266 -1.684 1.00 0.00 C ATOM 1102 CZ PHE A 67 0.512 -6.620 -1.559 1.00 0.00 C ATOM 0 H PHE A 67 -0.621 -3.081 1.273 1.00 0.00 H new ATOM 0 HA PHE A 67 1.119 -1.546 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.730 -2.476 -0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.529 -2.033 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.832 -3.566 -1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.233 -4.671 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.503 -5.921 -1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.564 -7.024 -1.870 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.807 -7.655 -1.646 1.00 0.00 H new ATOM 1112 N ILE A 68 0.094 0.700 -0.329 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.456 2.043 -0.173 1.00 0.00 C ATOM 1114 C ILE A 68 -0.230 2.883 -1.428 1.00 0.00 C ATOM 1115 O ILE A 68 0.908 3.210 -1.768 1.00 0.00 O ATOM 1116 CB ILE A 68 0.168 2.790 1.027 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.439 1.835 2.193 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.743 3.926 1.469 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.906 1.508 2.371 1.00 0.00 C ATOM 0 H ILE A 68 1.019 0.670 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.524 1.913 0.002 1.00 0.00 H new ATOM 0 HB ILE A 68 1.123 3.207 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.059 2.279 3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.115 0.910 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.293 4.445 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.878 4.626 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.711 3.522 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.027 0.827 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.286 1.036 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.463 2.425 2.563 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.317 3.248 -2.103 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.222 4.069 -3.305 1.00 0.00 C ATOM 1133 C GLN A 69 -1.036 5.531 -2.917 1.00 0.00 C ATOM 1134 O GLN A 69 -1.934 6.355 -3.099 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.473 3.914 -4.170 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.326 4.505 -5.561 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.392 4.014 -6.522 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.353 4.877 -6.831 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -3.353 2.871 -6.978 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.268 2.990 -1.840 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.361 3.735 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.715 2.855 -4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.314 4.393 -3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.374 5.592 -5.496 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.342 4.252 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.595 2.242 -6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.078 2.553 -7.621 1.00 0.00 H new ATOM 1148 N MET A 70 0.133 5.832 -2.359 1.00 0.00 N ATOM 1149 CA MET A 70 0.454 7.186 -1.919 1.00 0.00 C ATOM 1150 C MET A 70 1.146 7.988 -3.019 1.00 0.00 C ATOM 1151 O MET A 70 1.228 7.548 -4.166 1.00 0.00 O ATOM 1152 CB MET A 70 1.328 7.142 -0.663 1.00 0.00 C ATOM 1153 CG MET A 70 2.657 6.432 -0.864 1.00 0.00 C ATOM 1154 SD MET A 70 3.333 5.777 0.673 1.00 0.00 S ATOM 1155 CE MET A 70 3.775 7.292 1.520 1.00 0.00 C ATOM 0 H MET A 70 0.877 5.153 -2.200 1.00 0.00 H new ATOM 0 HA MET A 70 -0.484 7.689 -1.684 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.519 8.162 -0.329 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.777 6.643 0.134 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.525 5.616 -1.575 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.373 7.126 -1.304 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.813 7.236 1.848 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.654 8.137 0.842 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.127 7.427 2.386 1.00 0.00 H new ATOM 1165 N ASP A 71 1.648 9.165 -2.654 1.00 0.00 N ATOM 1166 CA ASP A 71 2.343 10.036 -3.597 1.00 0.00 C ATOM 1167 C ASP A 71 3.691 10.476 -3.033 1.00 0.00 C ATOM 1168 O ASP A 71 3.759 11.380 -2.199 1.00 0.00 O ATOM 1169 CB ASP A 71 1.491 11.265 -3.914 1.00 0.00 C ATOM 1170 CG ASP A 71 1.889 11.927 -5.218 1.00 0.00 C ATOM 1171 OD1 ASP A 71 3.092 11.899 -5.554 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.999 12.472 -5.903 1.00 0.00 O ATOM 0 H ASP A 71 1.586 9.539 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 71 2.513 9.473 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.442 10.973 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.583 11.986 -3.102 1.00 0.00 H new ATOM 1177 N LEU A 72 4.762 9.835 -3.489 1.00 0.00 N ATOM 1178 CA LEU A 72 6.106 10.166 -3.023 1.00 0.00 C ATOM 1179 C LEU A 72 6.994 10.644 -4.174 1.00 0.00 C ATOM 1180 O LEU A 72 8.194 10.849 -3.994 1.00 0.00 O ATOM 1181 CB LEU A 72 6.745 8.953 -2.348 1.00 0.00 C ATOM 1182 CG LEU A 72 5.971 8.395 -1.152 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.457 6.995 -0.806 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.105 9.321 0.048 1.00 0.00 C ATOM 0 H LEU A 72 4.727 9.085 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 72 6.016 10.978 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.858 8.162 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.747 9.226 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 72 4.917 8.333 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.895 6.615 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.308 6.336 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.517 7.030 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.548 8.909 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.156 9.415 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.706 10.304 -0.204 1.00 0.00 H new ATOM 1245 N GLU A 77 12.601 14.954 -1.047 1.00 0.00 N ATOM 1246 CA GLU A 77 11.942 14.790 0.244 1.00 0.00 C ATOM 1247 C GLU A 77 10.426 14.681 0.072 1.00 0.00 C ATOM 1248 O GLU A 77 9.779 15.623 -0.384 1.00 0.00 O ATOM 1249 CB GLU A 77 12.277 15.967 1.163 1.00 0.00 C ATOM 1250 CG GLU A 77 12.048 17.325 0.521 1.00 0.00 C ATOM 1251 CD GLU A 77 12.363 18.473 1.459 1.00 0.00 C ATOM 1252 OE1 GLU A 77 13.127 18.260 2.423 1.00 0.00 O ATOM 1253 OE2 GLU A 77 11.844 19.587 1.230 1.00 0.00 O ATOM 0 HA GLU A 77 12.307 13.868 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.672 15.895 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.320 15.891 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.667 17.410 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.010 17.399 0.197 1.00 0.00 H new ATOM 1260 N PRO A 78 9.837 13.526 0.433 1.00 0.00 N ATOM 1261 CA PRO A 78 8.390 13.308 0.311 1.00 0.00 C ATOM 1262 C PRO A 78 7.581 14.395 1.008 1.00 0.00 C ATOM 1263 O PRO A 78 8.130 15.400 1.461 1.00 0.00 O ATOM 1264 CB PRO A 78 8.171 11.957 0.995 1.00 0.00 C ATOM 1265 CG PRO A 78 9.486 11.264 0.901 1.00 0.00 C ATOM 1266 CD PRO A 78 10.527 12.344 0.984 1.00 0.00 C ATOM 0 HA PRO A 78 8.062 13.330 -0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.865 12.085 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.386 11.385 0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.606 10.543 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.570 10.711 -0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.852 12.511 2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.415 12.091 0.405 1.00 0.00 H new ATOM 1274 N ASN A 79 6.271 14.187 1.092 1.00 0.00 N ATOM 1275 CA ASN A 79 5.384 15.150 1.734 1.00 0.00 C ATOM 1276 C ASN A 79 5.239 14.848 3.223 1.00 0.00 C ATOM 1277 O ASN A 79 5.911 13.965 3.755 1.00 0.00 O ATOM 1278 CB ASN A 79 4.009 15.135 1.062 1.00 0.00 C ATOM 1279 CG ASN A 79 3.842 16.265 0.065 1.00 0.00 C ATOM 1280 OD1 ASN A 79 4.451 16.258 -1.005 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.012 17.241 0.412 1.00 0.00 N ATOM 0 H ASN A 79 5.800 13.360 0.724 1.00 0.00 H new ATOM 0 HA ASN A 79 5.824 16.141 1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.866 14.181 0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.234 15.209 1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.857 18.027 -0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.529 17.204 1.309 1.00 0.00 H new ATOM 1288 N GLU A 80 4.359 15.588 3.889 1.00 0.00 N ATOM 1289 CA GLU A 80 4.126 15.402 5.316 1.00 0.00 C ATOM 1290 C GLU A 80 3.620 13.991 5.611 1.00 0.00 C ATOM 1291 O GLU A 80 3.757 13.496 6.729 1.00 0.00 O ATOM 1292 CB GLU A 80 3.118 16.432 5.829 1.00 0.00 C ATOM 1293 CG GLU A 80 1.860 16.528 4.980 1.00 0.00 C ATOM 1294 CD GLU A 80 1.536 17.954 4.575 1.00 0.00 C ATOM 1295 OE1 GLU A 80 1.126 18.741 5.454 1.00 0.00 O ATOM 1296 OE2 GLU A 80 1.690 18.281 3.380 1.00 0.00 O ATOM 0 H GLU A 80 3.795 16.323 3.463 1.00 0.00 H new ATOM 0 HA GLU A 80 5.076 15.542 5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.838 16.176 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.597 17.410 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.983 15.919 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.019 16.112 5.535 1.00 0.00 H new ATOM 1303 N ALA A 81 3.035 13.348 4.603 1.00 0.00 N ATOM 1304 CA ALA A 81 2.512 11.996 4.758 1.00 0.00 C ATOM 1305 C ALA A 81 3.572 11.052 5.314 1.00 0.00 C ATOM 1306 O ALA A 81 3.308 10.281 6.237 1.00 0.00 O ATOM 1307 CB ALA A 81 1.988 11.477 3.426 1.00 0.00 C ATOM 0 H ALA A 81 2.912 13.743 3.671 1.00 0.00 H new ATOM 0 HA ALA A 81 1.689 12.034 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.601 10.467 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.190 12.129 3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.798 11.464 2.697 1.00 0.00 H new ATOM 1313 N TRP A 82 4.771 11.115 4.746 1.00 0.00 N ATOM 1314 CA TRP A 82 5.871 10.266 5.187 1.00 0.00 C ATOM 1315 C TRP A 82 6.218 10.538 6.646 1.00 0.00 C ATOM 1316 O TRP A 82 6.530 9.618 7.403 1.00 0.00 O ATOM 1317 CB TRP A 82 7.102 10.489 4.307 1.00 0.00 C ATOM 1318 CG TRP A 82 8.116 9.390 4.415 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.449 9.525 4.669 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.874 7.986 4.270 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.053 8.291 4.692 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.105 7.330 4.450 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.734 7.220 4.007 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.230 5.945 4.376 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.859 5.845 3.933 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.099 5.220 4.116 1.00 0.00 C ATOM 0 H TRP A 82 5.006 11.745 3.979 1.00 0.00 H new ATOM 0 HA TRP A 82 5.553 9.228 5.096 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.785 10.581 3.268 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.570 11.434 4.582 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.956 10.465 4.829 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.044 8.118 4.861 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.774 7.694 3.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.185 5.461 4.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.986 5.243 3.731 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.164 4.144 4.051 1.00 0.00 H new ATOM 1337 N GLU A 83 6.162 11.807 7.037 1.00 0.00 N ATOM 1338 CA GLU A 83 6.470 12.200 8.407 1.00 0.00 C ATOM 1339 C GLU A 83 5.529 11.512 9.394 1.00 0.00 C ATOM 1340 O GLU A 83 5.908 11.226 10.530 1.00 0.00 O ATOM 1341 CB GLU A 83 6.371 13.720 8.558 1.00 0.00 C ATOM 1342 CG GLU A 83 7.688 14.381 8.934 1.00 0.00 C ATOM 1343 CD GLU A 83 7.746 14.773 10.398 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.038 15.724 10.786 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.500 14.125 11.154 1.00 0.00 O ATOM 0 H GLU A 83 5.906 12.581 6.424 1.00 0.00 H new ATOM 0 HA GLU A 83 7.490 11.888 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.014 14.147 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.626 13.954 9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.509 13.700 8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.834 15.268 8.318 1.00 0.00 H new ATOM 1352 N VAL A 84 4.305 11.250 8.952 1.00 0.00 N ATOM 1353 CA VAL A 84 3.313 10.595 9.795 1.00 0.00 C ATOM 1354 C VAL A 84 3.516 9.084 9.811 1.00 0.00 C ATOM 1355 O VAL A 84 3.498 8.457 10.870 1.00 0.00 O ATOM 1356 CB VAL A 84 1.879 10.902 9.319 1.00 0.00 C ATOM 1357 CG1 VAL A 84 0.860 10.380 10.321 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.698 12.397 9.089 1.00 0.00 C ATOM 0 H VAL A 84 3.976 11.481 8.015 1.00 0.00 H new ATOM 0 HA VAL A 84 3.447 10.989 10.803 1.00 0.00 H new ATOM 0 HB VAL A 84 1.715 10.392 8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.146 10.606 9.968 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.974 9.301 10.427 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.022 10.858 11.287 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.680 12.593 8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.883 12.933 10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.402 12.736 8.329 1.00 0.00 H new ATOM 1368 N VAL A 85 3.713 8.506 8.630 1.00 0.00 N ATOM 1369 CA VAL A 85 3.921 7.069 8.509 1.00 0.00 C ATOM 1370 C VAL A 85 5.208 6.640 9.204 1.00 0.00 C ATOM 1371 O VAL A 85 5.297 5.538 9.745 1.00 0.00 O ATOM 1372 CB VAL A 85 3.978 6.633 7.032 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.008 5.115 6.922 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.801 7.209 6.261 1.00 0.00 C ATOM 0 H VAL A 85 3.733 9.011 7.744 1.00 0.00 H new ATOM 0 HA VAL A 85 3.072 6.584 8.991 1.00 0.00 H new ATOM 0 HB VAL A 85 4.896 7.022 6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.048 4.827 5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.888 4.730 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.109 4.699 7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.857 6.891 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.869 6.852 6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.832 8.297 6.310 1.00 0.00 H new ATOM 1384 N ARG A 86 6.205 7.519 9.188 1.00 0.00 N ATOM 1385 CA ARG A 86 7.489 7.232 9.817 1.00 0.00 C ATOM 1386 C ARG A 86 7.364 7.223 11.339 1.00 0.00 C ATOM 1387 O ARG A 86 8.177 6.612 12.033 1.00 0.00 O ATOM 1388 CB ARG A 86 8.533 8.265 9.388 1.00 0.00 C ATOM 1389 CG ARG A 86 9.948 7.710 9.330 1.00 0.00 C ATOM 1390 CD ARG A 86 10.532 7.809 7.929 1.00 0.00 C ATOM 1391 NE ARG A 86 11.599 6.837 7.709 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.848 6.997 8.144 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.188 8.086 8.821 1.00 0.00 N ATOM 1394 NH2 ARG A 86 13.759 6.064 7.901 1.00 0.00 N ATOM 0 H ARG A 86 6.148 8.436 8.746 1.00 0.00 H new ATOM 0 HA ARG A 86 7.809 6.242 9.491 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.264 8.656 8.407 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.509 9.104 10.083 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.582 8.256 10.028 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.944 6.668 9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.742 7.651 7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.920 8.815 7.769 1.00 0.00 H new ATOM 0 HE ARG A 86 11.375 5.986 7.192 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.492 8.807 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.146 8.203 9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.503 5.224 7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.715 6.186 8.234 1.00 0.00 H new ATOM 1408 N GLY A 87 6.343 7.905 11.851 1.00 0.00 N ATOM 1409 CA GLY A 87 6.137 7.962 13.287 1.00 0.00 C ATOM 1410 C GLY A 87 5.063 7.004 13.771 1.00 0.00 C ATOM 1411 O GLY A 87 4.888 6.822 14.976 1.00 0.00 O ATOM 0 H GLY A 87 5.656 8.418 11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.075 7.733 13.792 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.863 8.979 13.569 1.00 0.00 H new ATOM 1415 N THR A 88 4.340 6.391 12.838 1.00 0.00 N ATOM 1416 CA THR A 88 3.282 5.452 13.191 1.00 0.00 C ATOM 1417 C THR A 88 3.868 4.119 13.658 1.00 0.00 C ATOM 1418 O THR A 88 4.502 3.408 12.878 1.00 0.00 O ATOM 1419 CB THR A 88 2.352 5.222 11.998 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.080 5.249 10.783 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.246 6.250 11.894 1.00 0.00 C ATOM 0 H THR A 88 4.467 6.528 11.835 1.00 0.00 H new ATOM 0 HA THR A 88 2.709 5.885 14.011 1.00 0.00 H new ATOM 0 HB THR A 88 1.901 4.244 12.167 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.014 5.007 10.956 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.624 6.028 11.027 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.635 6.220 12.796 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.682 7.243 11.784 1.00 0.00 H new ATOM 1429 N PRO A 89 3.667 3.760 14.940 1.00 0.00 N ATOM 1430 CA PRO A 89 4.183 2.503 15.495 1.00 0.00 C ATOM 1431 C PRO A 89 3.799 1.295 14.649 1.00 0.00 C ATOM 1432 O PRO A 89 2.620 0.965 14.517 1.00 0.00 O ATOM 1433 CB PRO A 89 3.520 2.424 16.871 1.00 0.00 C ATOM 1434 CG PRO A 89 3.232 3.839 17.236 1.00 0.00 C ATOM 1435 CD PRO A 89 2.923 4.542 15.945 1.00 0.00 C ATOM 0 HA PRO A 89 5.272 2.490 15.530 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.606 1.831 16.836 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.178 1.953 17.601 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.390 3.901 17.926 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.087 4.296 17.735 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.853 4.548 15.737 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.249 5.582 15.966 1.00 0.00 H new ATOM 1443 N GLY A 90 4.801 0.639 14.075 1.00 0.00 N ATOM 1444 CA GLY A 90 4.548 -0.526 13.247 1.00 0.00 C ATOM 1445 C GLY A 90 5.251 -0.453 11.903 1.00 0.00 C ATOM 1446 O GLY A 90 5.420 -1.470 11.229 1.00 0.00 O ATOM 0 H GLY A 90 5.784 0.893 14.168 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.876 -1.421 13.776 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.475 -0.626 13.086 1.00 0.00 H new ATOM 1450 N ILE A 91 5.657 0.751 11.510 1.00 0.00 N ATOM 1451 CA ILE A 91 6.342 0.946 10.240 1.00 0.00 C ATOM 1452 C ILE A 91 7.818 0.565 10.347 1.00 0.00 C ATOM 1453 O ILE A 91 8.517 1.007 11.258 1.00 0.00 O ATOM 1454 CB ILE A 91 6.207 2.412 9.753 1.00 0.00 C ATOM 1455 CG1 ILE A 91 6.193 2.467 8.223 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.322 3.287 10.316 1.00 0.00 C ATOM 1457 CD1 ILE A 91 7.525 2.135 7.584 1.00 0.00 C ATOM 0 H ILE A 91 5.523 1.604 12.053 1.00 0.00 H new ATOM 0 HA ILE A 91 5.867 0.292 9.509 1.00 0.00 H new ATOM 0 HB ILE A 91 5.260 2.805 10.123 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.440 1.772 7.851 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.889 3.465 7.908 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.200 4.309 9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.277 3.278 11.405 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.288 2.901 9.990 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.433 2.196 6.500 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.279 2.845 7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.823 1.125 7.867 1.00 0.00 H new ATOM 1567 N ARG A 100 13.420 3.796 1.734 1.00 0.00 N ATOM 1568 CA ARG A 100 12.727 2.750 2.475 1.00 0.00 C ATOM 1569 C ARG A 100 11.564 2.181 1.664 1.00 0.00 C ATOM 1570 O ARG A 100 11.402 0.963 1.573 1.00 0.00 O ATOM 1571 CB ARG A 100 12.220 3.286 3.817 1.00 0.00 C ATOM 1572 CG ARG A 100 13.239 4.132 4.563 1.00 0.00 C ATOM 1573 CD ARG A 100 14.161 3.273 5.412 1.00 0.00 C ATOM 1574 NE ARG A 100 15.365 2.875 4.686 1.00 0.00 N ATOM 1575 CZ ARG A 100 16.339 2.140 5.214 1.00 0.00 C ATOM 1576 NH1 ARG A 100 16.257 1.718 6.470 1.00 0.00 N ATOM 1577 NH2 ARG A 100 17.401 1.823 4.485 1.00 0.00 N ATOM 0 HA ARG A 100 13.439 1.947 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.323 3.881 3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.928 2.446 4.447 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.830 4.706 3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.722 4.850 5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.445 3.824 6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.625 2.382 5.741 1.00 0.00 H new ATOM 0 HE ARG A 100 15.464 3.179 3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.443 1.957 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 100 17.008 1.154 6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.471 2.143 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.148 1.259 4.890 1.00 0.00 H new ATOM 1591 N PRO A 101 10.732 3.049 1.058 1.00 0.00 N ATOM 1592 CA PRO A 101 9.584 2.615 0.255 1.00 0.00 C ATOM 1593 C PRO A 101 10.015 1.901 -1.023 1.00 0.00 C ATOM 1594 O PRO A 101 11.134 2.086 -1.502 1.00 0.00 O ATOM 1595 CB PRO A 101 8.852 3.922 -0.083 1.00 0.00 C ATOM 1596 CG PRO A 101 9.425 4.947 0.835 1.00 0.00 C ATOM 1597 CD PRO A 101 10.836 4.515 1.101 1.00 0.00 C ATOM 0 HA PRO A 101 8.963 1.899 0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.005 4.199 -1.126 1.00 0.00 H new ATOM 0 HB3 PRO A 101 7.777 3.820 0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.399 5.937 0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.853 5.006 1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.526 4.895 0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.193 4.869 2.068 1.00 0.00 H new ATOM 1605 N VAL A 102 9.118 1.087 -1.572 1.00 0.00 N ATOM 1606 CA VAL A 102 9.406 0.348 -2.795 1.00 0.00 C ATOM 1607 C VAL A 102 8.123 0.019 -3.554 1.00 0.00 C ATOM 1608 O VAL A 102 7.433 -0.950 -3.233 1.00 0.00 O ATOM 1609 CB VAL A 102 10.156 -0.963 -2.493 1.00 0.00 C ATOM 1610 CG1 VAL A 102 11.605 -0.679 -2.129 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.462 -1.733 -1.381 1.00 0.00 C ATOM 0 H VAL A 102 8.187 0.923 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 102 10.037 0.989 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 102 10.145 -1.580 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.118 -1.618 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.097 -0.175 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.640 -0.041 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.007 -2.656 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.438 -1.124 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.443 -1.972 -1.685 1.00 0.00 H new ATOM 1621 N PRO A 103 7.781 0.823 -4.578 1.00 0.00 N ATOM 1622 CA PRO A 103 6.573 0.604 -5.380 1.00 0.00 C ATOM 1623 C PRO A 103 6.537 -0.788 -6.001 1.00 0.00 C ATOM 1624 O PRO A 103 7.572 -1.336 -6.379 1.00 0.00 O ATOM 1625 CB PRO A 103 6.661 1.674 -6.473 1.00 0.00 C ATOM 1626 CG PRO A 103 7.558 2.723 -5.912 1.00 0.00 C ATOM 1627 CD PRO A 103 8.540 2.001 -5.032 1.00 0.00 C ATOM 0 HA PRO A 103 5.669 0.673 -4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.065 1.262 -7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.677 2.080 -6.708 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.071 3.264 -6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.990 3.458 -5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.438 1.715 -5.580 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.862 2.620 -4.195 1.00 0.00 H new ATOM 1635 N LEU A 104 5.340 -1.355 -6.107 1.00 0.00 N ATOM 1636 CA LEU A 104 5.171 -2.684 -6.684 1.00 0.00 C ATOM 1637 C LEU A 104 5.110 -2.613 -8.206 1.00 0.00 C ATOM 1638 O LEU A 104 4.851 -1.556 -8.779 1.00 0.00 O ATOM 1639 CB LEU A 104 3.900 -3.340 -6.141 1.00 0.00 C ATOM 1640 CG LEU A 104 3.824 -3.436 -4.615 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.782 -2.470 -4.068 1.00 0.00 C ATOM 1642 CD2 LEU A 104 3.509 -4.862 -4.184 1.00 0.00 C ATOM 0 H LEU A 104 4.472 -0.915 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 104 6.033 -3.288 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.037 -2.777 -6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.821 -4.344 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 104 4.796 -3.160 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.743 -2.553 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.051 -1.450 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.805 -2.714 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.459 -4.911 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.551 -5.166 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.291 -5.531 -4.542 1.00 0.00 H new ATOM 1654 N SER A 105 5.351 -3.747 -8.855 1.00 0.00 N ATOM 1655 CA SER A 105 5.324 -3.814 -10.312 1.00 0.00 C ATOM 1656 C SER A 105 3.887 -3.838 -10.829 1.00 0.00 C ATOM 1657 O SER A 105 3.001 -4.411 -10.196 1.00 0.00 O ATOM 1658 CB SER A 105 6.072 -5.056 -10.799 1.00 0.00 C ATOM 1659 OG SER A 105 5.338 -6.237 -10.524 1.00 0.00 O ATOM 0 H SER A 105 5.567 -4.632 -8.396 1.00 0.00 H new ATOM 0 HA SER A 105 5.817 -2.924 -10.701 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.252 -4.978 -11.871 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.047 -5.110 -10.315 1.00 0.00 H new ATOM 0 HG SER A 105 5.838 -7.016 -10.847 1.00 0.00 H new ATOM 1665 N PRO A 106 3.636 -3.213 -11.993 1.00 0.00 N ATOM 1666 CA PRO A 106 2.297 -3.167 -12.591 1.00 0.00 C ATOM 1667 C PRO A 106 1.676 -4.553 -12.722 1.00 0.00 C ATOM 1668 O PRO A 106 0.455 -4.704 -12.680 1.00 0.00 O ATOM 1669 CB PRO A 106 2.543 -2.560 -13.974 1.00 0.00 C ATOM 1670 CG PRO A 106 3.794 -1.765 -13.822 1.00 0.00 C ATOM 1671 CD PRO A 106 4.634 -2.503 -12.817 1.00 0.00 C ATOM 0 HA PRO A 106 1.598 -2.596 -11.980 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.656 -3.335 -14.732 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.709 -1.930 -14.284 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.316 -1.673 -14.774 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.575 -0.754 -13.480 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.323 -3.196 -13.300 1.00 0.00 H new ATOM 0 HD3 PRO A 106 5.237 -1.820 -12.218 1.00 0.00 H new ATOM 1679 N ASP A 107 2.524 -5.564 -12.881 1.00 0.00 N ATOM 1680 CA ASP A 107 2.060 -6.940 -13.019 1.00 0.00 C ATOM 1681 C ASP A 107 1.653 -7.516 -11.666 1.00 0.00 C ATOM 1682 O ASP A 107 0.687 -8.272 -11.566 1.00 0.00 O ATOM 1683 CB ASP A 107 3.151 -7.807 -13.649 1.00 0.00 C ATOM 1684 CG ASP A 107 2.609 -9.110 -14.202 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.015 -9.884 -13.421 1.00 0.00 O ATOM 1686 OD2 ASP A 107 2.777 -9.355 -15.413 1.00 0.00 O ATOM 0 H ASP A 107 3.538 -5.456 -12.918 1.00 0.00 H new ATOM 0 HA ASP A 107 1.186 -6.939 -13.670 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.636 -7.250 -14.450 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.916 -8.023 -12.903 1.00 0.00 H new ATOM 1691 N GLU A 108 2.399 -7.154 -10.627 1.00 0.00 N ATOM 1692 CA GLU A 108 2.118 -7.639 -9.280 1.00 0.00 C ATOM 1693 C GLU A 108 0.989 -6.837 -8.637 1.00 0.00 C ATOM 1694 O GLU A 108 0.178 -7.381 -7.889 1.00 0.00 O ATOM 1695 CB GLU A 108 3.377 -7.556 -8.414 1.00 0.00 C ATOM 1696 CG GLU A 108 3.175 -8.062 -6.995 1.00 0.00 C ATOM 1697 CD GLU A 108 4.320 -8.932 -6.517 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.457 -8.739 -7.002 1.00 0.00 O ATOM 1699 OE2 GLU A 108 4.083 -9.808 -5.658 1.00 0.00 O ATOM 0 H GLU A 108 3.201 -6.528 -10.692 1.00 0.00 H new ATOM 0 HA GLU A 108 1.803 -8.680 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.172 -8.133 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.714 -6.520 -8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.065 -7.211 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.246 -8.630 -6.945 1.00 0.00 H new ATOM 1706 N VAL A 109 0.947 -5.542 -8.932 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.081 -4.668 -8.381 1.00 0.00 C ATOM 1708 C VAL A 109 -1.475 -5.118 -8.807 1.00 0.00 C ATOM 1709 O VAL A 109 -2.363 -5.289 -7.973 1.00 0.00 O ATOM 1710 CB VAL A 109 0.131 -3.206 -8.818 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -0.864 -2.288 -8.125 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.560 -2.765 -8.534 1.00 0.00 C ATOM 0 H VAL A 109 1.612 -5.075 -9.549 1.00 0.00 H new ATOM 0 HA VAL A 109 0.001 -4.731 -7.296 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.040 -3.141 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.697 -1.260 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.879 -2.589 -8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.730 -2.355 -7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.691 -1.730 -8.849 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.761 -2.847 -7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.253 -3.402 -9.083 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.658 -5.310 -10.108 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.946 -5.744 -10.637 1.00 0.00 C ATOM 1724 C ARG A 110 -3.342 -7.095 -10.051 1.00 0.00 C ATOM 1725 O ARG A 110 -4.527 -7.396 -9.905 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.892 -5.827 -12.165 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.955 -4.990 -12.858 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.694 -3.501 -12.687 1.00 0.00 C ATOM 1729 NE ARG A 110 -3.752 -2.786 -13.959 1.00 0.00 N ATOM 1730 CZ ARG A 110 -3.636 -1.465 -14.074 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -3.458 -0.712 -12.996 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -3.700 -0.895 -15.270 1.00 0.00 N ATOM 0 H ARG A 110 -0.934 -5.173 -10.814 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.699 -5.010 -10.350 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.908 -5.502 -12.504 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.006 -6.868 -12.468 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.978 -5.236 -13.920 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.936 -5.237 -12.452 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.429 -3.080 -12.001 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.714 -3.354 -12.233 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.890 -3.331 -14.810 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.409 -1.145 -12.074 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.370 0.300 -13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.838 -1.469 -16.102 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.611 0.117 -15.358 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.343 -7.903 -9.708 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.587 -9.217 -9.131 1.00 0.00 C ATOM 1748 C HIS A 111 -3.058 -9.090 -7.688 1.00 0.00 C ATOM 1749 O HIS A 111 -4.080 -9.658 -7.307 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.320 -10.075 -9.201 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.430 -11.226 -10.150 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -1.336 -11.086 -11.518 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.628 -12.547 -9.923 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -1.472 -12.268 -12.092 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -1.649 -13.171 -11.146 1.00 0.00 N ATOM 0 H HIS A 111 -1.357 -7.669 -9.821 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.372 -9.705 -9.709 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.481 -9.446 -9.500 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.093 -10.456 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.747 -13.021 -8.960 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.443 -12.462 -13.154 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.780 -14.171 -11.299 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.310 -8.334 -6.890 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.663 -8.127 -5.493 1.00 0.00 C ATOM 1766 C ILE A 112 -3.960 -7.329 -5.375 1.00 0.00 C ATOM 1767 O ILE A 112 -4.624 -7.353 -4.338 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.541 -7.401 -4.725 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.324 -5.993 -5.286 1.00 0.00 C ATOM 1770 CG2 ILE A 112 -0.252 -8.208 -4.788 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -0.199 -5.240 -4.613 1.00 0.00 C ATOM 0 H ILE A 112 -1.459 -7.857 -7.187 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.803 -9.112 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.841 -7.307 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -1.115 -6.065 -6.353 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.247 -5.422 -5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.532 -7.684 -4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.414 -9.188 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.050 -8.331 -5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.103 -4.251 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.415 -5.137 -3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.734 -5.789 -4.742 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.315 -6.624 -6.448 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.534 -5.822 -6.474 1.00 0.00 C ATOM 1785 C LEU A 113 -6.764 -6.713 -6.612 1.00 0.00 C ATOM 1786 O LEU A 113 -7.801 -6.457 -5.997 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.479 -4.820 -7.631 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.523 -3.347 -7.217 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.115 -2.779 -7.119 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -6.357 -2.542 -8.201 1.00 0.00 C ATOM 0 H LEU A 113 -3.773 -6.593 -7.312 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.607 -5.277 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.565 -4.994 -8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.315 -5.018 -8.302 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.990 -3.278 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.165 -1.731 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.548 -3.339 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.622 -2.860 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.377 -1.497 -7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.919 -2.617 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.374 -2.934 -8.222 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.645 -7.757 -7.426 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.749 -8.684 -7.649 1.00 0.00 C ATOM 1804 C GLU A 114 -7.966 -9.579 -6.432 1.00 0.00 C ATOM 1805 O GLU A 114 -9.097 -9.949 -6.116 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.483 -9.542 -8.886 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.680 -10.368 -9.325 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.635 -10.724 -10.797 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -7.773 -11.543 -11.182 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -9.458 -10.187 -11.564 1.00 0.00 O ATOM 0 H GLU A 114 -5.795 -7.982 -7.942 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.653 -8.097 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.179 -8.894 -9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.647 -10.211 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.721 -11.284 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.595 -9.814 -9.117 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.877 -9.924 -5.757 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.950 -10.777 -4.577 1.00 0.00 C ATOM 1819 C VAL A 115 -7.272 -9.965 -3.327 1.00 0.00 C ATOM 1820 O VAL A 115 -7.947 -10.449 -2.418 1.00 0.00 O ATOM 1821 CB VAL A 115 -5.631 -11.542 -4.350 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -5.822 -12.633 -3.307 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -5.118 -12.126 -5.658 1.00 0.00 C ATOM 0 H VAL A 115 -5.933 -9.627 -6.006 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.751 -11.494 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.884 -10.841 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.881 -13.163 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.138 -12.185 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.584 -13.334 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.186 -12.662 -5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.859 -12.814 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.940 -11.321 -6.371 1.00 0.00 H new ATOM 1833 N SER A 116 -6.787 -8.729 -3.289 1.00 0.00 N ATOM 1834 CA SER A 116 -7.026 -7.850 -2.149 1.00 0.00 C ATOM 1835 C SER A 116 -8.520 -7.621 -1.944 1.00 0.00 C ATOM 1836 O SER A 116 -9.072 -7.957 -0.896 1.00 0.00 O ATOM 1837 CB SER A 116 -6.315 -6.512 -2.352 1.00 0.00 C ATOM 1838 OG SER A 116 -4.949 -6.599 -1.989 1.00 0.00 O ATOM 0 H SER A 116 -6.227 -8.313 -4.033 1.00 0.00 H new ATOM 0 HA SER A 116 -6.625 -8.333 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.398 -6.207 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.805 -5.743 -1.755 1.00 0.00 H new ATOM 0 HG SER A 116 -4.404 -6.719 -2.794 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.169 -7.047 -2.953 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.593 -6.785 -2.862 1.00 0.00 C ATOM 1846 C GLY A 117 -11.017 -5.573 -3.671 1.00 0.00 C ATOM 1847 O GLY A 117 -11.832 -4.771 -3.216 1.00 0.00 O ATOM 0 H GLY A 117 -8.735 -6.759 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.142 -7.660 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -10.865 -6.633 -1.817 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.465 -5.441 -4.873 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.794 -4.319 -5.744 1.00 0.00 C ATOM 1853 C LEU A 118 -11.372 -4.813 -7.067 1.00 0.00 C ATOM 1854 O LEU A 118 -12.486 -4.450 -7.443 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.552 -3.463 -6.007 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.876 -2.893 -4.756 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.773 -1.918 -5.143 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.899 -2.214 -3.857 1.00 0.00 C ATOM 0 H LEU A 118 -9.789 -6.096 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.545 -3.710 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.824 -4.065 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.832 -2.635 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.427 -3.718 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.304 -1.523 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.025 -2.435 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.199 -1.097 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.400 -1.816 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.378 -1.400 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.653 -2.939 -3.551 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.605 -5.641 -7.769 1.00 0.00 N ATOM 1871 CA LEU A 119 -11.040 -6.186 -9.049 1.00 0.00 C ATOM 1872 C LEU A 119 -11.549 -7.615 -8.888 1.00 0.00 C ATOM 1873 O LEU A 119 -11.428 -8.434 -9.799 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.890 -6.154 -10.058 1.00 0.00 C ATOM 1875 CG LEU A 119 -10.316 -6.187 -11.527 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -10.495 -4.775 -12.061 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -9.296 -6.948 -12.360 1.00 0.00 C ATOM 0 H LEU A 119 -9.679 -5.949 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.858 -5.567 -9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.301 -5.253 -9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.235 -7.004 -9.866 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.273 -6.705 -11.597 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.798 -4.817 -13.107 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.262 -4.261 -11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.553 -4.232 -11.978 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.615 -6.962 -13.402 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.325 -6.458 -12.284 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -9.216 -7.971 -11.992 1.00 0.00 H new ATOM 1889 N GLY A 120 -12.118 -7.908 -7.722 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.636 -9.238 -7.464 1.00 0.00 C ATOM 1891 C GLY A 120 -13.527 -9.284 -6.239 1.00 0.00 C ATOM 1892 O GLY A 120 -14.519 -10.045 -6.255 1.00 0.00 O ATOM 1893 OXT GLY A 120 -13.236 -8.561 -5.263 1.00 0.00 O ATOM 0 H GLY A 120 -12.229 -7.248 -6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.199 -9.580 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.804 -9.929 -7.331 1.00 0.00 H new