USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 475 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 TRP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.49! K(o=-1.5!,f=-2.9) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.01) USER MOD Single : A 22 THR OG1 : rot -9:sc= -0.946! USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.28 K(o=-0.28,f=-3!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.69 X(o=-0.69,f=-0.4) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A -1 37.499 17.723 11.480 1.00 0.00 N ATOM 2 CA TRP A -1 36.078 17.318 11.339 1.00 0.00 C ATOM 3 C TRP A -1 35.458 17.008 12.701 1.00 0.00 C ATOM 4 O TRP A -1 36.046 16.294 13.513 1.00 0.00 O ATOM 5 CB TRP A -1 36.016 16.101 10.410 1.00 0.00 C ATOM 6 CG TRP A -1 34.624 15.695 10.024 1.00 0.00 C ATOM 7 CD1 TRP A -1 34.144 14.423 9.939 1.00 0.00 C ATOM 8 CD2 TRP A -1 33.532 16.556 9.669 1.00 0.00 C ATOM 9 NE1 TRP A -1 32.825 14.439 9.558 1.00 0.00 N ATOM 10 CE2 TRP A -1 32.427 15.731 9.386 1.00 0.00 C ATOM 11 CE3 TRP A -1 33.377 17.939 9.562 1.00 0.00 C ATOM 12 CZ2 TRP A -1 31.189 16.242 9.006 1.00 0.00 C ATOM 13 CZ3 TRP A -1 32.148 18.441 9.187 1.00 0.00 C ATOM 14 CH2 TRP A -1 31.067 17.596 8.914 1.00 0.00 C ATOM 0 H1 TRP A -1 37.896 17.928 10.541 1.00 0.00 H new ATOM 0 H2 TRP A -1 37.560 18.574 12.075 1.00 0.00 H new ATOM 0 H3 TRP A -1 38.038 16.951 11.923 1.00 0.00 H new ATOM 0 HA TRP A -1 35.500 18.136 10.910 1.00 0.00 H new ATOM 0 HB2 TRP A -1 36.583 16.319 9.505 1.00 0.00 H new ATOM 0 HB3 TRP A -1 36.506 15.259 10.899 1.00 0.00 H new ATOM 0 HD1 TRP A -1 34.718 13.531 10.142 1.00 0.00 H new ATOM 0 HE1 TRP A -1 32.237 13.616 9.425 1.00 0.00 H new ATOM 0 HE3 TRP A -1 34.203 18.603 9.769 1.00 0.00 H new ATOM 0 HZ2 TRP A -1 30.356 15.589 8.792 1.00 0.00 H new ATOM 0 HZ3 TRP A -1 32.018 19.510 9.102 1.00 0.00 H new ATOM 0 HH2 TRP A -1 30.119 18.025 8.625 1.00 0.00 H new ATOM 25 N LEU A 1 34.281 17.577 12.951 1.00 0.00 N ATOM 26 CA LEU A 1 33.588 17.393 14.227 1.00 0.00 C ATOM 27 C LEU A 1 32.902 16.032 14.338 1.00 0.00 C ATOM 28 O LEU A 1 32.186 15.776 15.306 1.00 0.00 O ATOM 29 CB LEU A 1 32.561 18.506 14.443 1.00 0.00 C ATOM 30 CG LEU A 1 31.709 18.878 13.227 1.00 0.00 C ATOM 31 CD1 LEU A 1 32.402 19.945 12.389 1.00 0.00 C ATOM 32 CD2 LEU A 1 31.400 17.647 12.388 1.00 0.00 C ATOM 0 H LEU A 1 33.785 18.171 12.286 1.00 0.00 H new ATOM 0 HA LEU A 1 34.351 17.437 15.004 1.00 0.00 H new ATOM 0 HB2 LEU A 1 31.894 18.206 15.251 1.00 0.00 H new ATOM 0 HB3 LEU A 1 33.088 19.399 14.780 1.00 0.00 H new ATOM 0 HG LEU A 1 30.765 19.289 13.586 1.00 0.00 H new ATOM 0 HD11 LEU A 1 31.779 20.194 11.530 1.00 0.00 H new ATOM 0 HD12 LEU A 1 32.560 20.838 12.994 1.00 0.00 H new ATOM 0 HD13 LEU A 1 33.364 19.567 12.042 1.00 0.00 H new ATOM 0 HD21 LEU A 1 30.794 17.935 11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 1 32.332 17.200 12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 1 30.853 16.923 12.992 1.00 0.00 H new ATOM 44 N ILE A 2 33.120 15.157 13.365 1.00 0.00 N ATOM 45 CA ILE A 2 32.511 13.830 13.401 1.00 0.00 C ATOM 46 C ILE A 2 33.533 12.781 13.831 1.00 0.00 C ATOM 47 O ILE A 2 34.629 12.704 13.275 1.00 0.00 O ATOM 48 CB ILE A 2 31.926 13.431 12.037 1.00 0.00 C ATOM 49 CG1 ILE A 2 31.005 14.525 11.502 1.00 0.00 C ATOM 50 CG2 ILE A 2 31.175 12.111 12.148 1.00 0.00 C ATOM 51 CD1 ILE A 2 29.699 14.645 12.258 1.00 0.00 C ATOM 0 H ILE A 2 33.706 15.337 12.550 1.00 0.00 H new ATOM 0 HA ILE A 2 31.699 13.874 14.126 1.00 0.00 H new ATOM 0 HB ILE A 2 32.750 13.305 11.335 1.00 0.00 H new ATOM 0 HG12 ILE A 2 31.528 15.480 11.544 1.00 0.00 H new ATOM 0 HG13 ILE A 2 30.790 14.325 10.452 1.00 0.00 H new ATOM 0 HG21 ILE A 2 30.766 11.842 11.174 1.00 0.00 H new ATOM 0 HG22 ILE A 2 31.858 11.331 12.483 1.00 0.00 H new ATOM 0 HG23 ILE A 2 30.362 12.214 12.866 1.00 0.00 H new ATOM 0 HD11 ILE A 2 29.098 15.442 11.821 1.00 0.00 H new ATOM 0 HD12 ILE A 2 29.154 13.703 12.195 1.00 0.00 H new ATOM 0 HD13 ILE A 2 29.904 14.876 13.303 1.00 0.00 H new ATOM 63 N THR A 3 33.171 11.985 14.831 1.00 0.00 N ATOM 64 CA THR A 3 34.057 10.948 15.352 1.00 0.00 C ATOM 65 C THR A 3 33.910 9.648 14.569 1.00 0.00 C ATOM 66 O THR A 3 32.971 9.481 13.789 1.00 0.00 O ATOM 67 CB THR A 3 33.761 10.695 16.831 1.00 0.00 C ATOM 68 OG1 THR A 3 32.623 9.868 16.979 1.00 0.00 O ATOM 69 CG2 THR A 3 33.508 11.964 17.616 1.00 0.00 C ATOM 0 H THR A 3 32.266 12.038 15.299 1.00 0.00 H new ATOM 0 HA THR A 3 35.083 11.300 15.241 1.00 0.00 H new ATOM 0 HB THR A 3 34.655 10.213 17.226 1.00 0.00 H new ATOM 0 HG1 THR A 3 32.451 9.716 17.932 1.00 0.00 H new ATOM 0 HG21 THR A 3 33.305 11.713 18.657 1.00 0.00 H new ATOM 0 HG22 THR A 3 34.387 12.606 17.562 1.00 0.00 H new ATOM 0 HG23 THR A 3 32.650 12.488 17.195 1.00 0.00 H new ATOM 77 N GLY A 4 34.844 8.725 14.787 1.00 0.00 N ATOM 78 CA GLY A 4 34.801 7.447 14.104 1.00 0.00 C ATOM 79 C GLY A 4 35.696 7.401 12.882 1.00 0.00 C ATOM 80 O GLY A 4 35.681 6.424 12.133 1.00 0.00 O ATOM 0 H GLY A 4 35.630 8.842 15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 4 35.100 6.660 14.797 1.00 0.00 H new ATOM 0 HA3 GLY A 4 33.775 7.235 13.805 1.00 0.00 H new ATOM 84 N THR A 5 36.479 8.456 12.676 1.00 0.00 N ATOM 85 CA THR A 5 37.381 8.516 11.533 1.00 0.00 C ATOM 86 C THR A 5 38.318 7.316 11.525 1.00 0.00 C ATOM 87 O THR A 5 38.600 6.744 10.473 1.00 0.00 O ATOM 88 CB THR A 5 38.191 9.811 11.550 1.00 0.00 C ATOM 89 OG1 THR A 5 37.334 10.938 11.574 1.00 0.00 O ATOM 90 CG2 THR A 5 39.111 9.954 10.357 1.00 0.00 C ATOM 0 H THR A 5 36.507 9.276 13.282 1.00 0.00 H new ATOM 0 HA THR A 5 36.777 8.495 10.626 1.00 0.00 H new ATOM 0 HB THR A 5 38.800 9.762 12.453 1.00 0.00 H new ATOM 0 HG1 THR A 5 37.871 11.757 11.586 1.00 0.00 H new ATOM 0 HG21 THR A 5 39.657 10.894 10.430 1.00 0.00 H new ATOM 0 HG22 THR A 5 39.818 9.124 10.341 1.00 0.00 H new ATOM 0 HG23 THR A 5 38.522 9.947 9.440 1.00 0.00 H new ATOM 98 N GLU A 6 38.794 6.929 12.706 1.00 0.00 N ATOM 99 CA GLU A 6 39.687 5.785 12.815 1.00 0.00 C ATOM 100 C GLU A 6 39.005 4.547 12.252 1.00 0.00 C ATOM 101 O GLU A 6 37.818 4.323 12.486 1.00 0.00 O ATOM 102 CB GLU A 6 40.090 5.547 14.270 1.00 0.00 C ATOM 103 CG GLU A 6 40.824 6.719 14.900 1.00 0.00 C ATOM 104 CD GLU A 6 41.280 6.427 16.317 1.00 0.00 C ATOM 105 OE1 GLU A 6 40.864 5.388 16.873 1.00 0.00 O ATOM 106 OE2 GLU A 6 42.056 7.235 16.870 1.00 0.00 O ATOM 0 H GLU A 6 38.577 7.387 13.591 1.00 0.00 H new ATOM 0 HA GLU A 6 40.590 5.992 12.241 1.00 0.00 H new ATOM 0 HB2 GLU A 6 39.196 5.333 14.855 1.00 0.00 H new ATOM 0 HB3 GLU A 6 40.724 4.662 14.322 1.00 0.00 H new ATOM 0 HG2 GLU A 6 41.690 6.972 14.288 1.00 0.00 H new ATOM 0 HG3 GLU A 6 40.171 7.592 14.905 1.00 0.00 H new ATOM 113 N ALA A 7 39.753 3.751 11.505 1.00 0.00 N ATOM 114 CA ALA A 7 39.202 2.544 10.907 1.00 0.00 C ATOM 115 C ALA A 7 39.482 1.320 11.763 1.00 0.00 C ATOM 116 O ALA A 7 40.638 0.977 12.015 1.00 0.00 O ATOM 117 CB ALA A 7 39.758 2.349 9.505 1.00 0.00 C ATOM 0 H ALA A 7 40.738 3.917 11.299 1.00 0.00 H new ATOM 0 HA ALA A 7 38.121 2.666 10.846 1.00 0.00 H new ATOM 0 HB1 ALA A 7 39.337 1.443 9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 7 39.493 3.206 8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 7 40.843 2.259 9.553 1.00 0.00 H new ATOM 123 N SER A 8 38.417 0.653 12.196 1.00 0.00 N ATOM 124 CA SER A 8 38.544 -0.548 13.010 1.00 0.00 C ATOM 125 C SER A 8 38.109 -1.767 12.213 1.00 0.00 C ATOM 126 O SER A 8 37.282 -1.666 11.306 1.00 0.00 O ATOM 127 CB SER A 8 37.712 -0.432 14.288 1.00 0.00 C ATOM 128 OG SER A 8 36.334 -0.292 13.989 1.00 0.00 O ATOM 0 H SER A 8 37.455 0.926 11.996 1.00 0.00 H new ATOM 0 HA SER A 8 39.591 -0.660 13.293 1.00 0.00 H new ATOM 0 HB2 SER A 8 37.865 -1.316 14.907 1.00 0.00 H new ATOM 0 HB3 SER A 8 38.050 0.426 14.869 1.00 0.00 H new ATOM 0 HG SER A 8 35.824 -0.222 14.823 1.00 0.00 H new ATOM 134 N CYS A 9 38.674 -2.916 12.551 1.00 0.00 N ATOM 135 CA CYS A 9 38.349 -4.155 11.862 1.00 0.00 C ATOM 136 C CYS A 9 37.460 -5.042 12.726 1.00 0.00 C ATOM 137 O CYS A 9 36.958 -4.619 13.766 1.00 0.00 O ATOM 138 CB CYS A 9 39.637 -4.911 11.515 1.00 0.00 C ATOM 139 SG CYS A 9 40.112 -6.181 12.737 1.00 0.00 S ATOM 0 H CYS A 9 39.360 -3.016 13.299 1.00 0.00 H new ATOM 0 HA CYS A 9 37.810 -3.905 10.948 1.00 0.00 H new ATOM 0 HB2 CYS A 9 39.515 -5.387 10.542 1.00 0.00 H new ATOM 0 HB3 CYS A 9 40.452 -4.193 11.419 1.00 0.00 H new ATOM 144 N GLU A 10 37.312 -6.289 12.293 1.00 0.00 N ATOM 145 CA GLU A 10 36.531 -7.271 13.026 1.00 0.00 C ATOM 146 C GLU A 10 37.445 -8.383 13.538 1.00 0.00 C ATOM 147 O GLU A 10 37.138 -9.049 14.526 1.00 0.00 O ATOM 148 CB GLU A 10 35.434 -7.863 12.138 1.00 0.00 C ATOM 149 CG GLU A 10 34.379 -6.849 11.720 1.00 0.00 C ATOM 150 CD GLU A 10 33.274 -7.468 10.887 1.00 0.00 C ATOM 151 OE1 GLU A 10 33.434 -8.630 10.455 1.00 0.00 O ATOM 152 OE2 GLU A 10 32.246 -6.792 10.668 1.00 0.00 O ATOM 0 H GLU A 10 37.727 -6.643 11.431 1.00 0.00 H new ATOM 0 HA GLU A 10 36.057 -6.775 13.873 1.00 0.00 H new ATOM 0 HB2 GLU A 10 35.891 -8.289 11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 10 34.949 -8.682 12.670 1.00 0.00 H new ATOM 0 HG2 GLU A 10 33.946 -6.393 12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 10 34.854 -6.050 11.151 1.00 0.00 H new ATOM 159 N ASN A 11 38.567 -8.581 12.843 1.00 0.00 N ATOM 160 CA ASN A 11 39.524 -9.624 13.213 1.00 0.00 C ATOM 161 C ASN A 11 40.882 -9.037 13.651 1.00 0.00 C ATOM 162 O ASN A 11 40.939 -8.210 14.562 1.00 0.00 O ATOM 163 CB ASN A 11 39.702 -10.586 12.041 1.00 0.00 C ATOM 164 CG ASN A 11 38.412 -11.294 11.674 1.00 0.00 C ATOM 165 OD1 ASN A 11 37.433 -11.248 12.418 1.00 0.00 O ATOM 166 ND2 ASN A 11 38.407 -11.954 10.523 1.00 0.00 N ATOM 0 H ASN A 11 38.834 -8.035 12.024 1.00 0.00 H new ATOM 0 HA ASN A 11 39.125 -10.164 14.072 1.00 0.00 H new ATOM 0 HB2 ASN A 11 40.070 -10.036 11.175 1.00 0.00 H new ATOM 0 HB3 ASN A 11 40.461 -11.327 12.294 1.00 0.00 H new ATOM 0 HD21 ASN A 11 37.568 -12.450 10.223 1.00 0.00 H new ATOM 0 HD22 ASN A 11 39.242 -11.965 9.938 1.00 0.00 H new ATOM 173 N GLU A 12 41.973 -9.480 13.008 1.00 0.00 N ATOM 174 CA GLU A 12 43.324 -9.018 13.339 1.00 0.00 C ATOM 175 C GLU A 12 44.260 -9.247 12.162 1.00 0.00 C ATOM 176 O GLU A 12 44.465 -10.380 11.729 1.00 0.00 O ATOM 177 CB GLU A 12 43.862 -9.753 14.567 1.00 0.00 C ATOM 178 CG GLU A 12 45.235 -9.272 15.008 1.00 0.00 C ATOM 179 CD GLU A 12 45.804 -10.093 16.148 1.00 0.00 C ATOM 180 OE1 GLU A 12 45.143 -11.069 16.562 1.00 0.00 O ATOM 181 OE2 GLU A 12 46.910 -9.762 16.625 1.00 0.00 O ATOM 0 H GLU A 12 41.942 -10.163 12.251 1.00 0.00 H new ATOM 0 HA GLU A 12 43.273 -7.952 13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 12 43.160 -9.629 15.392 1.00 0.00 H new ATOM 0 HB3 GLU A 12 43.912 -10.820 14.349 1.00 0.00 H new ATOM 0 HG2 GLU A 12 45.919 -9.312 14.160 1.00 0.00 H new ATOM 0 HG3 GLU A 12 45.168 -8.228 15.315 1.00 0.00 H new ATOM 188 N GLY A 13 44.813 -8.161 11.636 1.00 0.00 N ATOM 189 CA GLY A 13 45.705 -8.271 10.503 1.00 0.00 C ATOM 190 C GLY A 13 45.059 -9.025 9.359 1.00 0.00 C ATOM 191 O GLY A 13 45.665 -9.923 8.773 1.00 0.00 O ATOM 0 H GLY A 13 44.659 -7.211 11.974 1.00 0.00 H new ATOM 0 HA2 GLY A 13 45.993 -7.275 10.167 1.00 0.00 H new ATOM 0 HA3 GLY A 13 46.619 -8.781 10.806 1.00 0.00 H new ATOM 195 N GLU A 14 43.813 -8.673 9.061 1.00 0.00 N ATOM 196 CA GLU A 14 43.062 -9.330 8.001 1.00 0.00 C ATOM 197 C GLU A 14 42.775 -8.394 6.855 1.00 0.00 C ATOM 198 O GLU A 14 41.885 -8.643 6.044 1.00 0.00 O ATOM 199 CB GLU A 14 41.759 -9.903 8.550 1.00 0.00 C ATOM 200 CG GLU A 14 40.696 -8.850 8.797 1.00 0.00 C ATOM 201 CD GLU A 14 39.333 -9.450 9.079 1.00 0.00 C ATOM 202 OE1 GLU A 14 39.048 -10.547 8.555 1.00 0.00 O ATOM 203 OE2 GLU A 14 38.550 -8.823 9.824 1.00 0.00 O ATOM 0 H GLU A 14 43.301 -7.933 9.542 1.00 0.00 H new ATOM 0 HA GLU A 14 43.679 -10.143 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 14 41.372 -10.642 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 14 41.966 -10.426 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 14 40.996 -8.228 9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 14 40.628 -8.197 7.927 1.00 0.00 H new ATOM 210 N VAL A 15 43.557 -7.340 6.786 1.00 0.00 N ATOM 211 CA VAL A 15 43.438 -6.368 5.723 1.00 0.00 C ATOM 212 C VAL A 15 42.002 -5.918 5.511 1.00 0.00 C ATOM 213 O VAL A 15 41.146 -6.682 5.069 1.00 0.00 O ATOM 214 CB VAL A 15 44.029 -6.942 4.434 1.00 0.00 C ATOM 215 CG1 VAL A 15 43.338 -8.223 4.043 1.00 0.00 C ATOM 216 CG2 VAL A 15 43.970 -5.916 3.312 1.00 0.00 C ATOM 0 H VAL A 15 44.291 -7.133 7.463 1.00 0.00 H new ATOM 0 HA VAL A 15 44.000 -5.481 6.014 1.00 0.00 H new ATOM 0 HB VAL A 15 45.077 -7.179 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 15 43.779 -8.608 3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 15 43.458 -8.958 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 15 42.277 -8.030 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 15 44.395 -6.344 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 15 42.933 -5.636 3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 15 44.540 -5.032 3.597 1.00 0.00 H new ATOM 226 N LEU A 16 41.748 -4.662 5.851 1.00 0.00 N ATOM 227 CA LEU A 16 40.421 -4.095 5.721 1.00 0.00 C ATOM 228 C LEU A 16 40.383 -3.072 4.598 1.00 0.00 C ATOM 229 O LEU A 16 41.052 -2.040 4.654 1.00 0.00 O ATOM 230 CB LEU A 16 39.995 -3.448 7.043 1.00 0.00 C ATOM 231 CG LEU A 16 40.656 -4.041 8.291 1.00 0.00 C ATOM 232 CD1 LEU A 16 40.846 -5.543 8.134 1.00 0.00 C ATOM 233 CD2 LEU A 16 41.981 -3.349 8.561 1.00 0.00 C ATOM 0 H LEU A 16 42.448 -4.018 6.219 1.00 0.00 H new ATOM 0 HA LEU A 16 39.723 -4.897 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 16 40.223 -2.383 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 16 38.914 -3.539 7.144 1.00 0.00 H new ATOM 0 HG LEU A 16 40.002 -3.874 9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 16 41.317 -5.946 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 16 39.876 -6.019 7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 16 41.481 -5.741 7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 16 42.441 -3.779 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 16 42.644 -3.486 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 16 41.810 -2.284 8.720 1.00 0.00 H new ATOM 245 N HIS A 17 39.593 -3.374 3.584 1.00 0.00 N ATOM 246 CA HIS A 17 39.451 -2.488 2.433 1.00 0.00 C ATOM 247 C HIS A 17 38.757 -1.194 2.839 1.00 0.00 C ATOM 248 O HIS A 17 37.650 -1.211 3.377 1.00 0.00 O ATOM 249 CB HIS A 17 38.668 -3.188 1.321 1.00 0.00 C ATOM 250 CG HIS A 17 39.371 -4.384 0.760 1.00 0.00 C ATOM 251 ND1 HIS A 17 40.433 -4.292 -0.115 1.00 0.00 N ATOM 252 CD2 HIS A 17 39.161 -5.709 0.954 1.00 0.00 C ATOM 253 CE1 HIS A 17 40.846 -5.507 -0.434 1.00 0.00 C ATOM 254 NE2 HIS A 17 40.092 -6.382 0.203 1.00 0.00 N ATOM 0 H HIS A 17 39.037 -4.227 3.530 1.00 0.00 H new ATOM 0 HA HIS A 17 40.445 -2.242 2.058 1.00 0.00 H new ATOM 0 HB2 HIS A 17 37.697 -3.496 1.709 1.00 0.00 H new ATOM 0 HB3 HIS A 17 38.479 -2.477 0.517 1.00 0.00 H new ATOM 0 HD2 HIS A 17 38.403 -6.152 1.582 1.00 0.00 H new ATOM 0 HE1 HIS A 17 41.661 -5.743 -1.102 1.00 0.00 H new ATOM 0 HE2 HIS A 17 40.186 -7.396 0.147 1.00 0.00 H new ATOM 262 N ILE A 18 39.426 -0.072 2.593 1.00 0.00 N ATOM 263 CA ILE A 18 38.890 1.238 2.947 1.00 0.00 C ATOM 264 C ILE A 18 38.780 2.146 1.727 1.00 0.00 C ATOM 265 O ILE A 18 39.749 2.353 1.004 1.00 0.00 O ATOM 266 CB ILE A 18 39.787 1.928 3.989 1.00 0.00 C ATOM 267 CG1 ILE A 18 40.145 0.960 5.116 1.00 0.00 C ATOM 268 CG2 ILE A 18 39.104 3.169 4.542 1.00 0.00 C ATOM 269 CD1 ILE A 18 38.941 0.356 5.792 1.00 0.00 C ATOM 0 H ILE A 18 40.344 -0.044 2.148 1.00 0.00 H new ATOM 0 HA ILE A 18 37.895 1.072 3.361 1.00 0.00 H new ATOM 0 HB ILE A 18 40.711 2.236 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 18 40.766 0.160 4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 18 40.744 1.485 5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 18 39.753 3.644 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 18 38.905 3.867 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 18 38.164 2.886 5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 18 39.268 -0.321 6.581 1.00 0.00 H new ATOM 0 HD12 ILE A 18 38.330 1.149 6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 18 38.352 -0.198 5.060 1.00 0.00 H new ATOM 281 N PRO A 19 37.597 2.721 1.485 1.00 0.00 N ATOM 282 CA PRO A 19 37.385 3.618 0.348 1.00 0.00 C ATOM 283 C PRO A 19 38.310 4.837 0.393 1.00 0.00 C ATOM 284 O PRO A 19 39.411 4.810 -0.152 1.00 0.00 O ATOM 285 CB PRO A 19 35.915 4.038 0.478 1.00 0.00 C ATOM 286 CG PRO A 19 35.543 3.735 1.892 1.00 0.00 C ATOM 287 CD PRO A 19 36.383 2.557 2.298 1.00 0.00 C ATOM 0 HA PRO A 19 37.608 3.131 -0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 19 35.787 5.097 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 19 35.285 3.488 -0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 19 35.734 4.592 2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 19 34.481 3.504 1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 19 36.607 2.569 3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 19 35.881 1.612 2.088 1.00 0.00 H new ATOM 295 N ASN A 20 37.865 5.897 1.053 1.00 0.00 N ATOM 296 CA ASN A 20 38.652 7.124 1.161 1.00 0.00 C ATOM 297 C ASN A 20 40.146 6.841 1.338 1.00 0.00 C ATOM 298 O ASN A 20 40.984 7.665 0.972 1.00 0.00 O ATOM 299 CB ASN A 20 38.143 7.976 2.328 1.00 0.00 C ATOM 300 CG ASN A 20 36.775 8.568 2.060 1.00 0.00 C ATOM 301 OD1 ASN A 20 35.867 8.466 2.886 1.00 0.00 O ATOM 302 ND2 ASN A 20 36.618 9.196 0.901 1.00 0.00 N ATOM 0 H ASN A 20 36.961 5.935 1.524 1.00 0.00 H new ATOM 0 HA ASN A 20 38.529 7.669 0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 20 38.100 7.364 3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 20 38.852 8.781 2.522 1.00 0.00 H new ATOM 0 HD21 ASN A 20 35.719 9.617 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 20 37.396 9.258 0.245 1.00 0.00 H new ATOM 309 N ILE A 21 40.479 5.686 1.903 1.00 0.00 N ATOM 310 CA ILE A 21 41.869 5.318 2.125 1.00 0.00 C ATOM 311 C ILE A 21 42.386 4.380 1.041 1.00 0.00 C ATOM 312 O ILE A 21 43.111 4.798 0.140 1.00 0.00 O ATOM 313 CB ILE A 21 42.061 4.659 3.505 1.00 0.00 C ATOM 314 CG1 ILE A 21 41.848 5.683 4.621 1.00 0.00 C ATOM 315 CG2 ILE A 21 43.444 4.035 3.610 1.00 0.00 C ATOM 316 CD1 ILE A 21 41.860 5.076 6.006 1.00 0.00 C ATOM 0 H ILE A 21 39.803 4.989 2.215 1.00 0.00 H new ATOM 0 HA ILE A 21 42.444 6.243 2.088 1.00 0.00 H new ATOM 0 HB ILE A 21 41.318 3.869 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 21 42.627 6.443 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 21 40.895 6.189 4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 21 43.562 3.574 4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 21 43.560 3.276 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 21 44.202 4.807 3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 21 41.703 5.859 6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 21 41.064 4.336 6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 21 42.822 4.595 6.184 1.00 0.00 H new ATOM 328 N THR A 22 42.020 3.103 1.137 1.00 0.00 N ATOM 329 CA THR A 22 42.465 2.110 0.166 1.00 0.00 C ATOM 330 C THR A 22 41.829 2.325 -1.207 1.00 0.00 C ATOM 331 O THR A 22 42.129 1.588 -2.146 1.00 0.00 O ATOM 332 CB THR A 22 42.192 0.687 0.665 1.00 0.00 C ATOM 333 OG1 THR A 22 40.810 0.383 0.626 1.00 0.00 O ATOM 334 CG2 THR A 22 42.673 0.453 2.081 1.00 0.00 C ATOM 0 H THR A 22 41.419 2.735 1.874 1.00 0.00 H new ATOM 0 HA THR A 22 43.542 2.238 0.055 1.00 0.00 H new ATOM 0 HB THR A 22 42.749 0.038 -0.011 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.302 1.195 0.416 1.00 0.00 H new ATOM 0 HG21 THR A 22 42.451 -0.573 2.376 1.00 0.00 H new ATOM 0 HG22 THR A 22 43.749 0.620 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 22 42.166 1.143 2.756 1.00 0.00 H new ATOM 342 N ASP A 23 40.978 3.348 -1.341 1.00 0.00 N ATOM 343 CA ASP A 23 40.361 3.632 -2.635 1.00 0.00 C ATOM 344 C ASP A 23 41.415 3.488 -3.714 1.00 0.00 C ATOM 345 O ASP A 23 41.130 3.104 -4.848 1.00 0.00 O ATOM 346 CB ASP A 23 39.774 5.048 -2.678 1.00 0.00 C ATOM 347 CG ASP A 23 39.392 5.472 -4.081 1.00 0.00 C ATOM 348 OD1 ASP A 23 39.266 4.588 -4.955 1.00 0.00 O ATOM 349 OD2 ASP A 23 39.213 6.687 -4.307 1.00 0.00 O ATOM 0 H ASP A 23 40.707 3.979 -0.586 1.00 0.00 H new ATOM 0 HA ASP A 23 39.545 2.928 -2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 23 38.895 5.094 -2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 23 40.501 5.752 -2.274 1.00 0.00 H new ATOM 354 N ASN A 24 42.645 3.791 -3.326 1.00 0.00 N ATOM 355 CA ASN A 24 43.783 3.691 -4.229 1.00 0.00 C ATOM 356 C ASN A 24 44.458 2.334 -4.070 1.00 0.00 C ATOM 357 O ASN A 24 44.821 1.937 -2.964 1.00 0.00 O ATOM 358 CB ASN A 24 44.790 4.807 -3.936 1.00 0.00 C ATOM 359 CG ASN A 24 45.501 5.292 -5.184 1.00 0.00 C ATOM 360 OD1 ASN A 24 46.386 4.618 -5.713 1.00 0.00 O ATOM 361 ND2 ASN A 24 45.116 6.468 -5.664 1.00 0.00 N ATOM 0 H ASN A 24 42.882 4.110 -2.386 1.00 0.00 H new ATOM 0 HA ASN A 24 43.426 3.795 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 24 44.273 5.645 -3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 24 45.528 4.447 -3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 24 45.557 6.846 -6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 24 44.379 6.994 -5.195 1.00 0.00 H new ATOM 368 N PRO A 25 44.644 1.606 -5.180 1.00 0.00 N ATOM 369 CA PRO A 25 45.289 0.294 -5.163 1.00 0.00 C ATOM 370 C PRO A 25 46.585 0.340 -4.378 1.00 0.00 C ATOM 371 O PRO A 25 47.009 -0.645 -3.774 1.00 0.00 O ATOM 372 CB PRO A 25 45.581 0.007 -6.643 1.00 0.00 C ATOM 373 CG PRO A 25 45.246 1.265 -7.383 1.00 0.00 C ATOM 374 CD PRO A 25 44.256 2.002 -6.534 1.00 0.00 C ATOM 0 HA PRO A 25 44.668 -0.468 -4.692 1.00 0.00 H new ATOM 0 HB2 PRO A 25 46.627 -0.264 -6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 25 44.982 -0.829 -7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 25 46.139 1.867 -7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 25 44.826 1.039 -8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 25 44.323 3.081 -6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 25 43.230 1.713 -6.763 1.00 0.00 H new ATOM 382 N CYS A 26 47.197 1.510 -4.398 1.00 0.00 N ATOM 383 CA CYS A 26 48.448 1.748 -3.699 1.00 0.00 C ATOM 384 C CYS A 26 48.248 1.732 -2.188 1.00 0.00 C ATOM 385 O CYS A 26 49.204 1.559 -1.430 1.00 0.00 O ATOM 386 CB CYS A 26 49.030 3.093 -4.136 1.00 0.00 C ATOM 387 SG CYS A 26 49.462 3.161 -5.902 1.00 0.00 S ATOM 0 H CYS A 26 46.841 2.323 -4.900 1.00 0.00 H new ATOM 0 HA CYS A 26 49.143 0.947 -3.954 1.00 0.00 H new ATOM 0 HB2 CYS A 26 48.309 3.880 -3.917 1.00 0.00 H new ATOM 0 HB3 CYS A 26 49.921 3.303 -3.544 1.00 0.00 H new ATOM 392 N ILE A 27 47.008 1.933 -1.750 1.00 0.00 N ATOM 393 CA ILE A 27 46.709 1.961 -0.326 1.00 0.00 C ATOM 394 C ILE A 27 45.862 0.775 0.128 1.00 0.00 C ATOM 395 O ILE A 27 44.859 0.426 -0.496 1.00 0.00 O ATOM 396 CB ILE A 27 45.975 3.255 0.069 1.00 0.00 C ATOM 397 CG1 ILE A 27 46.755 4.477 -0.409 1.00 0.00 C ATOM 398 CG2 ILE A 27 45.770 3.305 1.577 1.00 0.00 C ATOM 399 CD1 ILE A 27 46.063 5.787 -0.103 1.00 0.00 C ATOM 0 H ILE A 27 46.201 2.078 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 27 47.677 1.909 0.171 1.00 0.00 H new ATOM 0 HB ILE A 27 44.997 3.263 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 27 47.740 4.476 0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 27 46.913 4.400 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 27 45.250 4.225 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 27 45.175 2.448 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 27 46.738 3.278 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 27 46.671 6.614 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 27 45.090 5.807 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 27 45.929 5.885 0.974 1.00 0.00 H new ATOM 411 N SER A 28 46.269 0.193 1.248 1.00 0.00 N ATOM 412 CA SER A 28 45.567 -0.929 1.863 1.00 0.00 C ATOM 413 C SER A 28 45.589 -0.726 3.371 1.00 0.00 C ATOM 414 O SER A 28 46.402 0.053 3.850 1.00 0.00 O ATOM 415 CB SER A 28 46.232 -2.256 1.491 1.00 0.00 C ATOM 416 OG SER A 28 47.538 -2.343 2.035 1.00 0.00 O ATOM 0 H SER A 28 47.101 0.487 1.760 1.00 0.00 H new ATOM 0 HA SER A 28 44.539 -0.968 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 28 45.626 -3.085 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 28 46.280 -2.351 0.406 1.00 0.00 H new ATOM 0 HG SER A 28 47.940 -3.201 1.784 1.00 0.00 H new ATOM 422 N CYS A 29 44.723 -1.407 4.124 1.00 0.00 N ATOM 423 CA CYS A 29 44.704 -1.257 5.560 1.00 0.00 C ATOM 424 C CYS A 29 44.658 -2.627 6.188 1.00 0.00 C ATOM 425 O CYS A 29 43.838 -3.453 5.795 1.00 0.00 O ATOM 426 CB CYS A 29 43.471 -0.477 6.006 1.00 0.00 C ATOM 427 SG CYS A 29 43.317 1.180 5.278 1.00 0.00 S ATOM 0 H CYS A 29 44.033 -2.062 3.755 1.00 0.00 H new ATOM 0 HA CYS A 29 45.597 -0.715 5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 29 42.582 -1.054 5.753 1.00 0.00 H new ATOM 0 HB3 CYS A 29 43.491 -0.382 7.092 1.00 0.00 H new ATOM 432 N VAL A 30 45.489 -2.876 7.175 1.00 0.00 N ATOM 433 CA VAL A 30 45.441 -4.159 7.824 1.00 0.00 C ATOM 434 C VAL A 30 45.128 -4.003 9.261 1.00 0.00 C ATOM 435 O VAL A 30 45.671 -3.160 9.974 1.00 0.00 O ATOM 436 CB VAL A 30 46.686 -5.014 7.648 1.00 0.00 C ATOM 437 CG1 VAL A 30 47.808 -4.562 8.573 1.00 0.00 C ATOM 438 CG2 VAL A 30 46.340 -6.479 7.858 1.00 0.00 C ATOM 0 H VAL A 30 46.187 -2.225 7.536 1.00 0.00 H new ATOM 0 HA VAL A 30 44.642 -4.702 7.319 1.00 0.00 H new ATOM 0 HB VAL A 30 47.052 -4.890 6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 30 48.682 -5.195 8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 30 48.067 -3.526 8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 30 47.479 -4.641 9.609 1.00 0.00 H new ATOM 0 HG21 VAL A 30 47.236 -7.086 7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 30 45.947 -6.619 8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 30 45.589 -6.783 7.129 1.00 0.00 H new ATOM 448 N CYS A 31 44.190 -4.801 9.646 1.00 0.00 N ATOM 449 CA CYS A 31 43.680 -4.766 10.978 1.00 0.00 C ATOM 450 C CYS A 31 44.779 -4.819 12.042 1.00 0.00 C ATOM 451 O CYS A 31 45.068 -5.883 12.590 1.00 0.00 O ATOM 452 CB CYS A 31 42.697 -5.900 11.222 1.00 0.00 C ATOM 453 SG CYS A 31 42.100 -5.933 12.937 1.00 0.00 S ATOM 0 H CYS A 31 43.753 -5.499 9.045 1.00 0.00 H new ATOM 0 HA CYS A 31 43.169 -3.808 11.071 1.00 0.00 H new ATOM 0 HB2 CYS A 31 41.849 -5.795 10.546 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.176 -6.851 10.987 1.00 0.00 H new ATOM 458 N LEU A 32 45.365 -3.669 12.357 1.00 0.00 N ATOM 459 CA LEU A 32 46.393 -3.593 13.383 1.00 0.00 C ATOM 460 C LEU A 32 45.790 -3.092 14.687 1.00 0.00 C ATOM 461 O LEU A 32 45.288 -1.972 14.758 1.00 0.00 O ATOM 462 CB LEU A 32 47.502 -2.643 12.940 1.00 0.00 C ATOM 463 CG LEU A 32 48.540 -2.306 14.002 1.00 0.00 C ATOM 464 CD1 LEU A 32 49.507 -3.461 14.199 1.00 0.00 C ATOM 465 CD2 LEU A 32 49.288 -1.034 13.627 1.00 0.00 C ATOM 0 H LEU A 32 45.144 -2.777 11.915 1.00 0.00 H new ATOM 0 HA LEU A 32 46.810 -4.589 13.537 1.00 0.00 H new ATOM 0 HB2 LEU A 32 48.013 -3.083 12.084 1.00 0.00 H new ATOM 0 HB3 LEU A 32 47.045 -1.715 12.596 1.00 0.00 H new ATOM 0 HG LEU A 32 48.022 -2.136 14.946 1.00 0.00 H new ATOM 0 HD11 LEU A 32 50.239 -3.197 14.962 1.00 0.00 H new ATOM 0 HD12 LEU A 32 48.956 -4.347 14.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 50.021 -3.670 13.261 1.00 0.00 H new ATOM 0 HD21 LEU A 32 50.026 -0.806 14.396 1.00 0.00 H new ATOM 0 HD22 LEU A 32 49.792 -1.177 12.671 1.00 0.00 H new ATOM 0 HD23 LEU A 32 48.582 -0.207 13.546 1.00 0.00 H new ATOM 477 N ASN A 33 45.840 -3.923 15.720 1.00 0.00 N ATOM 478 CA ASN A 33 45.293 -3.541 17.011 1.00 0.00 C ATOM 479 C ASN A 33 43.861 -3.049 16.842 1.00 0.00 C ATOM 480 O ASN A 33 43.471 -2.027 17.406 1.00 0.00 O ATOM 481 CB ASN A 33 46.153 -2.441 17.626 1.00 0.00 C ATOM 482 CG ASN A 33 46.399 -2.658 19.105 1.00 0.00 C ATOM 483 OD1 ASN A 33 46.119 -3.731 19.641 1.00 0.00 O ATOM 484 ND2 ASN A 33 46.927 -1.641 19.772 1.00 0.00 N ATOM 0 H ASN A 33 46.250 -4.856 15.689 1.00 0.00 H new ATOM 0 HA ASN A 33 45.293 -4.407 17.672 1.00 0.00 H new ATOM 0 HB2 ASN A 33 47.109 -2.397 17.104 1.00 0.00 H new ATOM 0 HB3 ASN A 33 45.665 -1.477 17.479 1.00 0.00 H new ATOM 0 HD21 ASN A 33 47.117 -1.730 20.770 1.00 0.00 H new ATOM 0 HD22 ASN A 33 47.143 -0.770 19.287 1.00 0.00 H new ATOM 491 N GLN A 34 43.092 -3.770 16.035 1.00 0.00 N ATOM 492 CA GLN A 34 41.711 -3.396 15.756 1.00 0.00 C ATOM 493 C GLN A 34 41.652 -2.071 15.021 1.00 0.00 C ATOM 494 O GLN A 34 40.682 -1.322 15.139 1.00 0.00 O ATOM 495 CB GLN A 34 40.903 -3.272 17.033 1.00 0.00 C ATOM 496 CG GLN A 34 40.477 -4.600 17.634 1.00 0.00 C ATOM 497 CD GLN A 34 39.587 -4.431 18.851 1.00 0.00 C ATOM 498 OE1 GLN A 34 39.526 -3.354 19.447 1.00 0.00 O ATOM 499 NE2 GLN A 34 38.883 -5.494 19.222 1.00 0.00 N ATOM 0 H GLN A 34 43.402 -4.619 15.562 1.00 0.00 H new ATOM 0 HA GLN A 34 41.287 -4.186 15.136 1.00 0.00 H new ATOM 0 HB2 GLN A 34 41.491 -2.725 17.770 1.00 0.00 H new ATOM 0 HB3 GLN A 34 40.013 -2.676 16.830 1.00 0.00 H new ATOM 0 HG2 GLN A 34 39.948 -5.183 16.880 1.00 0.00 H new ATOM 0 HG3 GLN A 34 41.364 -5.169 17.913 1.00 0.00 H new ATOM 0 HE21 GLN A 34 38.964 -6.367 18.700 1.00 0.00 H new ATOM 0 HE22 GLN A 34 38.262 -5.438 20.029 1.00 0.00 H new ATOM 508 N LYS A 35 42.690 -1.792 14.264 1.00 0.00 N ATOM 509 CA LYS A 35 42.768 -0.559 13.499 1.00 0.00 C ATOM 510 C LYS A 35 43.220 -0.859 12.082 1.00 0.00 C ATOM 511 O LYS A 35 44.098 -1.683 11.871 1.00 0.00 O ATOM 512 CB LYS A 35 43.736 0.420 14.165 1.00 0.00 C ATOM 513 CG LYS A 35 43.334 0.808 15.578 1.00 0.00 C ATOM 514 CD LYS A 35 44.268 1.864 16.150 1.00 0.00 C ATOM 515 CE LYS A 35 43.963 2.145 17.611 1.00 0.00 C ATOM 516 NZ LYS A 35 42.883 3.158 17.769 1.00 0.00 N ATOM 0 H LYS A 35 43.499 -2.405 14.159 1.00 0.00 H new ATOM 0 HA LYS A 35 41.779 -0.101 13.467 1.00 0.00 H new ATOM 0 HB2 LYS A 35 44.731 -0.025 14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 35 43.805 1.321 13.556 1.00 0.00 H new ATOM 0 HG2 LYS A 35 42.312 1.187 15.576 1.00 0.00 H new ATOM 0 HG3 LYS A 35 43.346 -0.075 16.217 1.00 0.00 H new ATOM 0 HD2 LYS A 35 45.301 1.530 16.051 1.00 0.00 H new ATOM 0 HD3 LYS A 35 44.174 2.785 15.574 1.00 0.00 H new ATOM 0 HE2 LYS A 35 43.667 1.219 18.104 1.00 0.00 H new ATOM 0 HE3 LYS A 35 44.866 2.497 18.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 42.705 3.321 18.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 43.175 4.050 17.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 42.013 2.812 17.316 1.00 0.00 H new ATOM 530 N ALA A 36 42.626 -0.197 11.111 1.00 0.00 N ATOM 531 CA ALA A 36 42.998 -0.429 9.728 1.00 0.00 C ATOM 532 C ALA A 36 44.398 0.062 9.455 1.00 0.00 C ATOM 533 O ALA A 36 44.591 1.195 9.020 1.00 0.00 O ATOM 534 CB ALA A 36 42.033 0.251 8.796 1.00 0.00 C ATOM 0 H ALA A 36 41.892 0.498 11.249 1.00 0.00 H new ATOM 0 HA ALA A 36 42.964 -1.504 9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.331 0.064 7.764 1.00 0.00 H new ATOM 0 HB2 ALA A 36 41.030 -0.142 8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 36 42.038 1.324 8.986 1.00 0.00 H new ATOM 540 N GLU A 37 45.379 -0.784 9.716 1.00 0.00 N ATOM 541 CA GLU A 37 46.751 -0.398 9.490 1.00 0.00 C ATOM 542 C GLU A 37 46.993 -0.161 8.010 1.00 0.00 C ATOM 543 O GLU A 37 47.237 -1.105 7.259 1.00 0.00 O ATOM 544 CB GLU A 37 47.705 -1.470 9.987 1.00 0.00 C ATOM 545 CG GLU A 37 49.073 -0.941 10.381 1.00 0.00 C ATOM 546 CD GLU A 37 50.046 -2.049 10.737 1.00 0.00 C ATOM 547 OE1 GLU A 37 49.663 -3.232 10.627 1.00 0.00 O ATOM 548 OE2 GLU A 37 51.189 -1.732 11.128 1.00 0.00 O ATOM 0 H GLU A 37 45.250 -1.728 10.079 1.00 0.00 H new ATOM 0 HA GLU A 37 46.935 0.523 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.258 -1.970 10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.828 -2.223 9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.482 -0.354 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 37 48.967 -0.268 11.232 1.00 0.00 H new ATOM 555 N CYS A 38 46.887 1.081 7.583 1.00 0.00 N ATOM 556 CA CYS A 38 47.059 1.389 6.169 1.00 0.00 C ATOM 557 C CYS A 38 48.447 1.881 5.803 1.00 0.00 C ATOM 558 O CYS A 38 49.209 2.371 6.636 1.00 0.00 O ATOM 559 CB CYS A 38 46.029 2.414 5.700 1.00 0.00 C ATOM 560 SG CYS A 38 44.418 2.322 6.534 1.00 0.00 S ATOM 0 H CYS A 38 46.686 1.884 8.179 1.00 0.00 H new ATOM 0 HA CYS A 38 46.911 0.438 5.657 1.00 0.00 H new ATOM 0 HB2 CYS A 38 46.440 3.413 5.846 1.00 0.00 H new ATOM 0 HB3 CYS A 38 45.874 2.287 4.629 1.00 0.00 H new ATOM 565 N LYS A 39 48.741 1.729 4.515 1.00 0.00 N ATOM 566 CA LYS A 39 50.009 2.128 3.935 1.00 0.00 C ATOM 567 C LYS A 39 49.808 2.458 2.455 1.00 0.00 C ATOM 568 O LYS A 39 49.040 1.784 1.769 1.00 0.00 O ATOM 569 CB LYS A 39 51.006 0.986 4.084 1.00 20.00 C ATOM 570 CG LYS A 39 51.149 0.501 5.514 1.00 20.00 C ATOM 571 CD LYS A 39 52.078 -0.691 5.595 1.00 20.00 C ATOM 572 CE LYS A 39 52.175 -1.236 7.010 1.00 20.00 C ATOM 573 NZ LYS A 39 53.180 -0.500 7.824 1.00 20.00 N ATOM 0 H LYS A 39 48.094 1.320 3.841 1.00 0.00 H new ATOM 0 HA LYS A 39 50.392 3.010 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 39 50.692 0.153 3.454 1.00 20.00 H new ATOM 0 HB3 LYS A 39 51.980 1.312 3.719 1.00 20.00 H new ATOM 0 HG2 LYS A 39 51.533 1.308 6.138 1.00 20.00 H new ATOM 0 HG3 LYS A 39 50.170 0.230 5.909 1.00 20.00 H new ATOM 0 HD2 LYS A 39 51.722 -1.475 4.927 1.00 20.00 H new ATOM 0 HD3 LYS A 39 53.070 -0.403 5.248 1.00 20.00 H new ATOM 0 HE2 LYS A 39 51.199 -1.169 7.492 1.00 20.00 H new ATOM 0 HE3 LYS A 39 52.441 -2.292 6.974 1.00 20.00 H new ATOM 0 HZ1 LYS A 39 53.214 -0.904 8.782 1.00 20.00 H new ATOM 0 HZ2 LYS A 39 54.116 -0.585 7.379 1.00 20.00 H new ATOM 0 HZ3 LYS A 39 52.913 0.504 7.881 1.00 20.00 H new ATOM 587 N GLN A 40 50.490 3.487 1.963 1.00 0.00 N ATOM 588 CA GLN A 40 50.355 3.869 0.559 1.00 0.00 C ATOM 589 C GLN A 40 51.652 3.629 -0.208 1.00 0.00 C ATOM 590 O GLN A 40 52.733 3.577 0.376 1.00 0.00 O ATOM 591 CB GLN A 40 49.928 5.334 0.429 1.00 0.00 C ATOM 592 CG GLN A 40 49.667 5.757 -1.009 1.00 0.00 C ATOM 593 CD GLN A 40 49.407 7.245 -1.148 1.00 0.00 C ATOM 594 OE1 GLN A 40 50.121 8.069 -0.577 1.00 0.00 O ATOM 595 NE2 GLN A 40 48.382 7.595 -1.918 1.00 0.00 N ATOM 0 H GLN A 40 51.133 4.065 2.505 1.00 0.00 H new ATOM 0 HA GLN A 40 49.579 3.240 0.123 1.00 0.00 H new ATOM 0 HB2 GLN A 40 49.025 5.496 1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 40 50.704 5.971 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 40 50.524 5.484 -1.624 1.00 0.00 H new ATOM 0 HG3 GLN A 40 48.809 5.206 -1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 40 47.817 6.877 -2.372 1.00 0.00 H new ATOM 0 HE22 GLN A 40 48.160 8.581 -2.055 1.00 0.00 H new ATOM 604 N GLU A 41 51.531 3.484 -1.524 1.00 0.00 N ATOM 605 CA GLU A 41 52.669 3.255 -2.379 1.00 0.00 C ATOM 606 C GLU A 41 53.073 4.519 -3.106 1.00 0.00 C ATOM 607 O GLU A 41 52.240 5.281 -3.598 1.00 0.00 O ATOM 608 CB GLU A 41 52.383 2.167 -3.409 1.00 0.00 C ATOM 609 CG GLU A 41 53.492 2.032 -4.438 1.00 0.00 C ATOM 610 CD GLU A 41 54.730 1.356 -3.881 1.00 0.00 C ATOM 611 OE1 GLU A 41 54.599 0.596 -2.898 1.00 0.00 O ATOM 612 OE2 GLU A 41 55.830 1.586 -4.425 1.00 0.00 O ATOM 0 H GLU A 41 50.639 3.523 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 41 53.485 2.932 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 41 52.249 1.214 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 41 51.445 2.391 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 41 53.124 1.461 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 41 53.760 3.021 -4.809 1.00 0.00 H new ATOM 619 N LYS A 42 54.365 4.701 -3.177 1.00 0.00 N ATOM 620 CA LYS A 42 54.961 5.839 -3.858 1.00 0.00 C ATOM 621 C LYS A 42 56.019 5.372 -4.839 1.00 0.00 C ATOM 622 O LYS A 42 56.873 4.546 -4.517 1.00 0.00 O ATOM 623 CB LYS A 42 55.571 6.819 -2.866 1.00 0.00 C ATOM 624 CG LYS A 42 56.152 8.065 -3.516 1.00 0.00 C ATOM 625 CD LYS A 42 56.787 8.985 -2.484 1.00 0.00 C ATOM 626 CE LYS A 42 57.324 10.256 -3.123 1.00 0.00 C ATOM 627 NZ LYS A 42 56.682 11.476 -2.562 1.00 0.00 N ATOM 0 H LYS A 42 55.046 4.064 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 42 54.169 6.353 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 42 54.808 7.117 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 42 56.357 6.313 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 42 56.898 7.777 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 42 55.365 8.600 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.050 9.243 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.598 8.461 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 42 58.402 10.311 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 42 57.156 10.220 -4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 57.076 12.320 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 55.656 11.437 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 56.864 11.525 -1.539 1.00 0.00 H new ATOM 641 N CYS A 43 55.941 5.907 -6.036 1.00 0.00 N ATOM 642 CA CYS A 43 56.876 5.561 -7.096 1.00 0.00 C ATOM 643 C CYS A 43 58.025 6.563 -7.158 1.00 0.00 C ATOM 644 O CYS A 43 57.859 7.735 -6.819 1.00 0.00 O ATOM 645 CB CYS A 43 56.142 5.510 -8.434 1.00 0.00 C ATOM 646 SG CYS A 43 54.656 4.451 -8.425 1.00 0.00 S ATOM 0 H CYS A 43 55.234 6.591 -6.307 1.00 0.00 H new ATOM 0 HA CYS A 43 57.298 4.579 -6.881 1.00 0.00 H new ATOM 0 HB2 CYS A 43 55.853 6.522 -8.717 1.00 0.00 H new ATOM 0 HB3 CYS A 43 56.828 5.149 -9.200 1.00 0.00 H new ATOM 651 N ALA A 44 59.193 6.088 -7.582 1.00 0.00 N ATOM 652 CA ALA A 44 60.378 6.936 -7.677 1.00 0.00 C ATOM 653 C ALA A 44 60.547 7.522 -9.077 1.00 0.00 C ATOM 654 O ALA A 44 60.194 6.891 -10.074 1.00 0.00 O ATOM 655 CB ALA A 44 61.616 6.146 -7.285 1.00 0.00 C ATOM 0 H ALA A 44 59.344 5.120 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 44 60.246 7.769 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 44 62.495 6.787 -7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 44 61.511 5.790 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 44 61.731 5.294 -7.955 1.00 0.00 H new ATOM 661 N PRO A 45 61.108 8.739 -9.158 1.00 0.00 N ATOM 662 CA PRO A 45 61.351 9.426 -10.434 1.00 0.00 C ATOM 663 C PRO A 45 62.324 8.655 -11.321 1.00 0.00 C ATOM 664 O PRO A 45 63.134 7.869 -10.829 1.00 0.00 O ATOM 665 CB PRO A 45 61.959 10.769 -10.012 1.00 0.00 C ATOM 666 CG PRO A 45 62.489 10.537 -8.640 1.00 0.00 C ATOM 667 CD PRO A 45 61.562 9.536 -8.009 1.00 0.00 C ATOM 0 HA PRO A 45 60.440 9.528 -11.024 1.00 0.00 H new ATOM 0 HB2 PRO A 45 62.751 11.076 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 45 61.210 11.561 -10.017 1.00 0.00 H new ATOM 0 HG2 PRO A 45 63.510 10.158 -8.674 1.00 0.00 H new ATOM 0 HG3 PRO A 45 62.512 11.464 -8.067 1.00 0.00 H new ATOM 0 HD2 PRO A 45 62.074 8.922 -7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 45 60.729 10.021 -7.500 1.00 0.00 H new ATOM 675 N LEU A 46 62.238 8.875 -12.630 1.00 0.00 N ATOM 676 CA LEU A 46 63.114 8.186 -13.572 1.00 0.00 C ATOM 677 C LEU A 46 63.764 9.151 -14.547 1.00 0.00 C ATOM 678 O LEU A 46 64.964 9.421 -14.493 1.00 0.00 O ATOM 679 CB LEU A 46 62.332 7.121 -14.342 1.00 0.00 C ATOM 680 CG LEU A 46 61.445 6.232 -13.480 1.00 0.00 C ATOM 681 CD1 LEU A 46 60.874 5.091 -14.304 1.00 0.00 C ATOM 682 CD2 LEU A 46 62.221 5.698 -12.286 1.00 0.00 C ATOM 0 H LEU A 46 61.575 9.520 -13.060 1.00 0.00 H new ATOM 0 HA LEU A 46 63.905 7.710 -12.993 1.00 0.00 H new ATOM 0 HB2 LEU A 46 61.711 7.615 -15.089 1.00 0.00 H new ATOM 0 HB3 LEU A 46 63.039 6.491 -14.882 1.00 0.00 H new ATOM 0 HG LEU A 46 60.616 6.832 -13.106 1.00 0.00 H new ATOM 0 HD11 LEU A 46 60.243 4.466 -13.672 1.00 0.00 H new ATOM 0 HD12 LEU A 46 60.280 5.496 -15.123 1.00 0.00 H new ATOM 0 HD13 LEU A 46 61.689 4.491 -14.709 1.00 0.00 H new ATOM 0 HD21 LEU A 46 61.570 5.065 -11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 46 63.072 5.114 -12.637 1.00 0.00 H new ATOM 0 HD23 LEU A 46 62.578 6.532 -11.682 1.00 0.00 H new ATOM 694 N ALA A 47 62.949 9.634 -15.447 1.00 0.00 N ATOM 695 CA ALA A 47 63.375 10.554 -16.495 1.00 0.00 C ATOM 696 C ALA A 47 63.544 11.981 -16.001 1.00 0.00 C ATOM 697 O ALA A 47 64.060 12.840 -16.716 1.00 0.00 O ATOM 698 CB ALA A 47 62.378 10.506 -17.644 1.00 0.00 C ATOM 0 H ALA A 47 61.956 9.403 -15.482 1.00 0.00 H new ATOM 0 HA ALA A 47 64.358 10.229 -16.835 1.00 0.00 H new ATOM 0 HB1 ALA A 47 62.694 11.193 -18.429 1.00 0.00 H new ATOM 0 HB2 ALA A 47 62.333 9.493 -18.045 1.00 0.00 H new ATOM 0 HB3 ALA A 47 61.392 10.797 -17.282 1.00 0.00 H new ATOM 704 N GLU A 48 63.077 12.228 -14.795 1.00 0.00 N ATOM 705 CA GLU A 48 63.129 13.561 -14.183 1.00 0.00 C ATOM 706 C GLU A 48 61.936 14.402 -14.625 1.00 0.00 C ATOM 707 O GLU A 48 61.540 15.362 -13.961 1.00 0.00 O ATOM 708 CB GLU A 48 64.435 14.281 -14.532 1.00 0.00 C ATOM 709 CG GLU A 48 64.637 15.573 -13.756 1.00 0.00 C ATOM 710 CD GLU A 48 65.883 16.319 -14.189 1.00 0.00 C ATOM 711 OE1 GLU A 48 66.568 15.842 -15.118 1.00 0.00 O ATOM 712 OE2 GLU A 48 66.173 17.381 -13.600 1.00 0.00 O ATOM 0 H GLU A 48 62.648 11.517 -14.202 1.00 0.00 H new ATOM 0 HA GLU A 48 63.088 13.430 -13.102 1.00 0.00 H new ATOM 0 HB2 GLU A 48 65.274 13.613 -14.336 1.00 0.00 H new ATOM 0 HB3 GLU A 48 64.446 14.501 -15.599 1.00 0.00 H new ATOM 0 HG2 GLU A 48 63.767 16.215 -13.892 1.00 0.00 H new ATOM 0 HG3 GLU A 48 64.703 15.348 -12.692 1.00 0.00 H new ATOM 719 N ASP A 49 61.363 13.995 -15.735 1.00 0.00 N ATOM 720 CA ASP A 49 60.189 14.627 -16.315 1.00 0.00 C ATOM 721 C ASP A 49 59.191 13.541 -16.701 1.00 0.00 C ATOM 722 O ASP A 49 58.226 13.784 -17.425 1.00 0.00 O ATOM 723 CB ASP A 49 60.577 15.452 -17.544 1.00 0.00 C ATOM 724 CG ASP A 49 61.096 14.588 -18.678 1.00 0.00 C ATOM 725 OD1 ASP A 49 60.885 13.358 -18.633 1.00 0.00 O ATOM 726 OD2 ASP A 49 61.714 15.142 -19.611 1.00 0.00 O ATOM 0 H ASP A 49 61.704 13.199 -16.275 1.00 0.00 H new ATOM 0 HA ASP A 49 59.739 15.301 -15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 49 59.710 16.017 -17.888 1.00 0.00 H new ATOM 0 HB3 ASP A 49 61.340 16.178 -17.265 1.00 0.00 H new ATOM 731 N CYS A 50 59.459 12.331 -16.205 1.00 0.00 N ATOM 732 CA CYS A 50 58.638 11.162 -16.464 1.00 0.00 C ATOM 733 C CYS A 50 57.171 11.418 -16.129 1.00 0.00 C ATOM 734 O CYS A 50 56.706 12.557 -16.166 1.00 0.00 O ATOM 735 CB CYS A 50 59.167 10.010 -15.617 1.00 0.00 C ATOM 736 SG CYS A 50 58.623 10.095 -13.881 1.00 0.00 S ATOM 0 H CYS A 50 60.263 12.141 -15.606 1.00 0.00 H new ATOM 0 HA CYS A 50 58.692 10.920 -17.525 1.00 0.00 H new ATOM 0 HB2 CYS A 50 58.836 9.066 -16.050 1.00 0.00 H new ATOM 0 HB3 CYS A 50 60.256 10.012 -15.651 1.00 0.00 H new ATOM 741 N ALA A 51 56.459 10.340 -15.782 1.00 0.00 N ATOM 742 CA ALA A 51 55.042 10.414 -15.410 1.00 0.00 C ATOM 743 C ALA A 51 54.276 9.151 -15.791 1.00 0.00 C ATOM 744 O ALA A 51 53.105 9.000 -15.446 1.00 0.00 O ATOM 745 CB ALA A 51 54.374 11.634 -16.025 1.00 0.00 C ATOM 0 H ALA A 51 56.846 9.397 -15.751 1.00 0.00 H new ATOM 0 HA ALA A 51 55.013 10.505 -14.324 1.00 0.00 H new ATOM 0 HB1 ALA A 51 53.325 11.661 -15.731 1.00 0.00 H new ATOM 0 HB2 ALA A 51 54.873 12.537 -15.674 1.00 0.00 H new ATOM 0 HB3 ALA A 51 54.445 11.579 -17.111 1.00 0.00 H new ATOM 751 N LEU A 52 54.942 8.252 -16.493 1.00 0.00 N ATOM 752 CA LEU A 52 54.325 6.997 -16.918 1.00 0.00 C ATOM 753 C LEU A 52 55.109 6.333 -18.043 1.00 0.00 C ATOM 754 O LEU A 52 56.087 6.884 -18.546 1.00 0.00 O ATOM 755 CB LEU A 52 52.881 7.220 -17.378 1.00 0.00 C ATOM 756 CG LEU A 52 52.649 8.367 -18.375 1.00 0.00 C ATOM 757 CD1 LEU A 52 51.970 9.540 -17.687 1.00 0.00 C ATOM 758 CD2 LEU A 52 53.949 8.816 -19.042 1.00 0.00 C ATOM 0 H LEU A 52 55.913 8.363 -16.784 1.00 0.00 H new ATOM 0 HA LEU A 52 54.332 6.338 -16.050 1.00 0.00 H new ATOM 0 HB2 LEU A 52 52.520 6.296 -17.831 1.00 0.00 H new ATOM 0 HB3 LEU A 52 52.267 7.404 -16.497 1.00 0.00 H new ATOM 0 HG LEU A 52 51.994 7.990 -19.160 1.00 0.00 H new ATOM 0 HD11 LEU A 52 51.813 10.343 -18.407 1.00 0.00 H new ATOM 0 HD12 LEU A 52 51.008 9.220 -17.286 1.00 0.00 H new ATOM 0 HD13 LEU A 52 52.601 9.900 -16.874 1.00 0.00 H new ATOM 0 HD21 LEU A 52 53.739 9.628 -19.739 1.00 0.00 H new ATOM 0 HD22 LEU A 52 54.648 9.163 -18.281 1.00 0.00 H new ATOM 0 HD23 LEU A 52 54.389 7.978 -19.583 1.00 0.00 H new ATOM 770 N VAL A 53 54.655 5.145 -18.430 1.00 0.00 N ATOM 771 CA VAL A 53 55.276 4.374 -19.502 1.00 0.00 C ATOM 772 C VAL A 53 55.031 2.895 -19.296 1.00 0.00 C ATOM 773 O VAL A 53 55.022 2.102 -20.240 1.00 0.00 O ATOM 774 CB VAL A 53 56.793 4.618 -19.594 1.00 0.00 C ATOM 775 CG1 VAL A 53 57.435 4.461 -18.227 1.00 0.00 C ATOM 776 CG2 VAL A 53 57.424 3.665 -20.597 1.00 0.00 C ATOM 0 H VAL A 53 53.845 4.689 -18.009 1.00 0.00 H new ATOM 0 HA VAL A 53 54.819 4.708 -20.434 1.00 0.00 H new ATOM 0 HB VAL A 53 56.963 5.638 -19.939 1.00 0.00 H new ATOM 0 HG11 VAL A 53 58.508 4.636 -18.307 1.00 0.00 H new ATOM 0 HG12 VAL A 53 57.000 5.183 -17.536 1.00 0.00 H new ATOM 0 HG13 VAL A 53 57.259 3.451 -17.856 1.00 0.00 H new ATOM 0 HG21 VAL A 53 58.497 3.851 -20.650 1.00 0.00 H new ATOM 0 HG22 VAL A 53 57.249 2.636 -20.282 1.00 0.00 H new ATOM 0 HG23 VAL A 53 56.979 3.824 -21.579 1.00 0.00 H new ATOM 786 N VAL A 54 54.828 2.549 -18.047 1.00 0.00 N ATOM 787 CA VAL A 54 54.569 1.175 -17.652 1.00 0.00 C ATOM 788 C VAL A 54 53.564 1.121 -16.509 1.00 0.00 C ATOM 789 O VAL A 54 53.717 1.810 -15.499 1.00 0.00 O ATOM 790 CB VAL A 54 55.859 0.460 -17.219 1.00 0.00 C ATOM 791 CG1 VAL A 54 55.594 -1.018 -16.975 1.00 0.00 C ATOM 792 CG2 VAL A 54 56.951 0.654 -18.259 1.00 0.00 C ATOM 0 H VAL A 54 54.837 3.210 -17.270 1.00 0.00 H new ATOM 0 HA VAL A 54 54.159 0.665 -18.524 1.00 0.00 H new ATOM 0 HB VAL A 54 56.202 0.900 -16.283 1.00 0.00 H new ATOM 0 HG11 VAL A 54 56.519 -1.508 -16.669 1.00 0.00 H new ATOM 0 HG12 VAL A 54 54.847 -1.129 -16.189 1.00 0.00 H new ATOM 0 HG13 VAL A 54 55.226 -1.478 -17.892 1.00 0.00 H new ATOM 0 HG21 VAL A 54 57.857 0.141 -17.936 1.00 0.00 H new ATOM 0 HG22 VAL A 54 56.622 0.243 -19.213 1.00 0.00 H new ATOM 0 HG23 VAL A 54 57.158 1.718 -18.375 1.00 0.00 H new ATOM 802 N LYS A 55 52.542 0.297 -16.673 1.00 0.00 N ATOM 803 CA LYS A 55 51.510 0.145 -15.656 1.00 0.00 C ATOM 804 C LYS A 55 50.777 -1.181 -15.810 1.00 0.00 C ATOM 805 O LYS A 55 50.330 -1.534 -16.902 1.00 0.00 O ATOM 806 CB LYS A 55 50.519 1.305 -15.717 1.00 0.00 C ATOM 807 CG LYS A 55 49.403 1.201 -14.690 1.00 0.00 C ATOM 808 CD LYS A 55 48.643 2.510 -14.566 1.00 0.00 C ATOM 809 CE LYS A 55 48.056 2.943 -15.898 1.00 0.00 C ATOM 810 NZ LYS A 55 46.598 3.226 -15.800 1.00 0.00 N ATOM 0 H LYS A 55 52.403 -0.279 -17.503 1.00 0.00 H new ATOM 0 HA LYS A 55 52.000 0.153 -14.682 1.00 0.00 H new ATOM 0 HB2 LYS A 55 51.057 2.241 -15.565 1.00 0.00 H new ATOM 0 HB3 LYS A 55 50.082 1.347 -16.715 1.00 0.00 H new ATOM 0 HG2 LYS A 55 48.716 0.405 -14.976 1.00 0.00 H new ATOM 0 HG3 LYS A 55 49.822 0.928 -13.721 1.00 0.00 H new ATOM 0 HD2 LYS A 55 47.843 2.399 -13.834 1.00 0.00 H new ATOM 0 HD3 LYS A 55 49.312 3.286 -14.193 1.00 0.00 H new ATOM 0 HE2 LYS A 55 48.575 3.834 -16.250 1.00 0.00 H new ATOM 0 HE3 LYS A 55 48.225 2.162 -16.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 46.238 3.518 -16.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 46.098 2.369 -15.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 46.438 3.989 -15.112 1.00 0.00 H new ATOM 824 N GLN A 56 50.658 -1.913 -14.709 1.00 0.00 N ATOM 825 CA GLN A 56 49.981 -3.203 -14.718 1.00 0.00 C ATOM 826 C GLN A 56 48.610 -3.097 -14.065 1.00 0.00 C ATOM 827 O GLN A 56 48.421 -2.326 -13.125 1.00 0.00 O ATOM 828 CB GLN A 56 50.814 -4.249 -13.975 1.00 0.00 C ATOM 829 CG GLN A 56 52.228 -4.405 -14.507 1.00 0.00 C ATOM 830 CD GLN A 56 52.970 -5.555 -13.851 1.00 0.00 C ATOM 831 OE1 GLN A 56 53.551 -5.401 -12.777 1.00 0.00 O ATOM 832 NE2 GLN A 56 52.947 -6.717 -14.494 1.00 0.00 N ATOM 0 H GLN A 56 51.022 -1.634 -13.798 1.00 0.00 H new ATOM 0 HA GLN A 56 49.858 -3.509 -15.757 1.00 0.00 H new ATOM 0 HB2 GLN A 56 50.862 -3.978 -12.920 1.00 0.00 H new ATOM 0 HB3 GLN A 56 50.306 -5.212 -14.034 1.00 0.00 H new ATOM 0 HG2 GLN A 56 52.192 -4.567 -15.584 1.00 0.00 H new ATOM 0 HG3 GLN A 56 52.779 -3.479 -14.342 1.00 0.00 H new ATOM 0 HE21 GLN A 56 52.452 -6.799 -15.382 1.00 0.00 H new ATOM 0 HE22 GLN A 56 53.424 -7.528 -14.099 1.00 0.00 H new ATOM 841 N THR A 57 47.657 -3.884 -14.553 1.00 0.00 N ATOM 842 CA THR A 57 46.314 -3.877 -13.990 1.00 0.00 C ATOM 843 C THR A 57 46.347 -4.423 -12.569 1.00 0.00 C ATOM 844 O THR A 57 45.483 -4.116 -11.747 1.00 0.00 O ATOM 845 CB THR A 57 45.362 -4.700 -14.860 1.00 0.00 C ATOM 846 OG1 THR A 57 45.792 -6.046 -14.938 1.00 0.00 O ATOM 847 CG2 THR A 57 45.236 -4.171 -16.272 1.00 0.00 C ATOM 0 H THR A 57 47.789 -4.530 -15.331 1.00 0.00 H new ATOM 0 HA THR A 57 45.948 -2.851 -13.965 1.00 0.00 H new ATOM 0 HB THR A 57 44.388 -4.627 -14.375 1.00 0.00 H new ATOM 0 HG1 THR A 57 45.170 -6.556 -15.497 1.00 0.00 H new ATOM 0 HG21 THR A 57 44.547 -4.799 -16.836 1.00 0.00 H new ATOM 0 HG22 THR A 57 44.857 -3.149 -16.245 1.00 0.00 H new ATOM 0 HG23 THR A 57 46.214 -4.182 -16.753 1.00 0.00 H new ATOM 855 N GLY A 58 47.368 -5.223 -12.283 1.00 0.00 N ATOM 856 CA GLY A 58 47.524 -5.789 -10.959 1.00 0.00 C ATOM 857 C GLY A 58 48.499 -4.989 -10.119 1.00 0.00 C ATOM 858 O GLY A 58 48.597 -5.183 -8.907 1.00 0.00 O ATOM 0 H GLY A 58 48.093 -5.490 -12.949 1.00 0.00 H new ATOM 0 HA2 GLY A 58 46.555 -5.821 -10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 58 47.874 -6.818 -11.042 1.00 0.00 H new ATOM 862 N ALA A 59 49.215 -4.075 -10.770 1.00 0.00 N ATOM 863 CA ALA A 59 50.182 -3.228 -10.085 1.00 0.00 C ATOM 864 C ALA A 59 49.646 -1.810 -9.937 1.00 0.00 C ATOM 865 O ALA A 59 49.048 -1.261 -10.862 1.00 0.00 O ATOM 866 CB ALA A 59 51.506 -3.218 -10.839 1.00 0.00 C ATOM 0 H ALA A 59 49.142 -3.904 -11.773 1.00 0.00 H new ATOM 0 HA ALA A 59 50.351 -3.637 -9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 59 52.218 -2.581 -10.315 1.00 0.00 H new ATOM 0 HB2 ALA A 59 51.900 -4.233 -10.896 1.00 0.00 H new ATOM 0 HB3 ALA A 59 51.348 -2.833 -11.847 1.00 0.00 H new ATOM 872 N CYS A 60 49.857 -1.222 -8.764 1.00 0.00 N ATOM 873 CA CYS A 60 49.391 0.132 -8.492 1.00 0.00 C ATOM 874 C CYS A 60 50.338 1.162 -9.071 1.00 0.00 C ATOM 875 O CYS A 60 49.937 2.106 -9.751 1.00 0.00 O ATOM 876 CB CYS A 60 49.241 0.327 -6.974 1.00 0.00 C ATOM 877 SG CYS A 60 50.475 1.431 -6.196 1.00 0.00 S ATOM 0 H CYS A 60 50.348 -1.663 -7.986 1.00 0.00 H new ATOM 0 HA CYS A 60 48.422 0.271 -8.970 1.00 0.00 H new ATOM 0 HB2 CYS A 60 48.246 0.724 -6.773 1.00 0.00 H new ATOM 0 HB3 CYS A 60 49.298 -0.649 -6.492 1.00 0.00 H new ATOM 882 N CYS A 61 51.588 0.963 -8.756 1.00 0.00 N ATOM 883 CA CYS A 61 52.658 1.855 -9.187 1.00 0.00 C ATOM 884 C CYS A 61 52.847 1.842 -10.691 1.00 0.00 C ATOM 885 O CYS A 61 52.522 0.876 -11.380 1.00 0.00 O ATOM 886 CB CYS A 61 53.972 1.491 -8.494 1.00 0.00 C ATOM 887 SG CYS A 61 55.359 2.604 -8.897 1.00 0.00 S ATOM 0 H CYS A 61 51.907 0.176 -8.190 1.00 0.00 H new ATOM 0 HA CYS A 61 52.364 2.865 -8.901 1.00 0.00 H new ATOM 0 HB2 CYS A 61 53.816 1.499 -7.415 1.00 0.00 H new ATOM 0 HB3 CYS A 61 54.246 0.472 -8.769 1.00 0.00 H new ATOM 892 N GLU A 62 53.380 2.949 -11.175 1.00 0.00 N ATOM 893 CA GLU A 62 53.644 3.151 -12.575 1.00 0.00 C ATOM 894 C GLU A 62 55.083 3.603 -12.738 1.00 0.00 C ATOM 895 O GLU A 62 55.518 4.542 -12.075 1.00 0.00 O ATOM 896 CB GLU A 62 52.691 4.215 -13.107 1.00 0.00 C ATOM 897 CG GLU A 62 52.734 4.409 -14.616 1.00 0.00 C ATOM 898 CD GLU A 62 51.942 5.619 -15.065 1.00 0.00 C ATOM 899 OE1 GLU A 62 52.014 6.663 -14.383 1.00 0.00 O ATOM 900 OE2 GLU A 62 51.249 5.525 -16.101 1.00 0.00 O ATOM 0 H GLU A 62 53.644 3.742 -10.591 1.00 0.00 H new ATOM 0 HA GLU A 62 53.493 2.227 -13.133 1.00 0.00 H new ATOM 0 HB2 GLU A 62 51.674 3.950 -12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 62 52.923 5.165 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 62 53.770 4.517 -14.936 1.00 0.00 H new ATOM 0 HG3 GLU A 62 52.340 3.518 -15.106 1.00 0.00 H new ATOM 907 N LYS A 63 55.810 2.927 -13.604 1.00 0.00 N ATOM 908 CA LYS A 63 57.214 3.254 -13.849 1.00 0.00 C ATOM 909 C LYS A 63 57.375 4.739 -14.133 1.00 0.00 C ATOM 910 O LYS A 63 57.144 5.573 -13.260 1.00 0.00 O ATOM 911 CB LYS A 63 57.777 2.407 -14.994 1.00 0.00 C ATOM 912 CG LYS A 63 59.280 2.568 -15.190 1.00 0.00 C ATOM 913 CD LYS A 63 59.787 1.679 -16.315 1.00 0.00 C ATOM 914 CE LYS A 63 61.300 1.735 -16.434 1.00 0.00 C ATOM 915 NZ LYS A 63 61.857 0.484 -17.020 1.00 0.00 N ATOM 0 H LYS A 63 55.457 2.144 -14.155 1.00 0.00 H new ATOM 0 HA LYS A 63 57.784 3.020 -12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 63 57.554 1.357 -14.802 1.00 0.00 H new ATOM 0 HB3 LYS A 63 57.267 2.677 -15.919 1.00 0.00 H new ATOM 0 HG2 LYS A 63 59.511 3.609 -15.414 1.00 0.00 H new ATOM 0 HG3 LYS A 63 59.799 2.319 -14.264 1.00 0.00 H new ATOM 0 HD2 LYS A 63 59.473 0.651 -16.136 1.00 0.00 H new ATOM 0 HD3 LYS A 63 59.336 1.990 -17.257 1.00 0.00 H new ATOM 0 HE2 LYS A 63 61.584 2.585 -17.055 1.00 0.00 H new ATOM 0 HE3 LYS A 63 61.736 1.900 -15.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 62.892 0.562 -17.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 61.608 -0.324 -16.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 61.461 0.340 -17.971 1.00 0.00 H new ATOM 929 N CYS A 64 57.776 5.078 -15.340 1.00 0.00 N ATOM 930 CA CYS A 64 57.955 6.476 -15.686 1.00 0.00 C ATOM 931 C CYS A 64 58.737 6.671 -16.974 1.00 0.00 C ATOM 932 O CYS A 64 59.640 5.905 -17.305 1.00 0.00 O ATOM 933 CB CYS A 64 58.668 7.184 -14.555 1.00 0.00 C ATOM 934 SG CYS A 64 57.635 8.352 -13.625 1.00 0.00 S ATOM 0 H CYS A 64 57.982 4.418 -16.090 1.00 0.00 H new ATOM 0 HA CYS A 64 56.963 6.898 -15.845 1.00 0.00 H new ATOM 0 HB2 CYS A 64 59.060 6.436 -13.865 1.00 0.00 H new ATOM 0 HB3 CYS A 64 59.524 7.721 -14.962 1.00 0.00 H new ATOM 939 N LYS A 65 58.369 7.729 -17.672 1.00 0.00 N ATOM 940 CA LYS A 65 59.007 8.103 -18.936 1.00 0.00 C ATOM 941 C LYS A 65 58.093 8.923 -19.839 1.00 0.00 C ATOM 942 O LYS A 65 58.322 9.016 -21.046 1.00 0.00 O ATOM 943 CB LYS A 65 59.459 6.869 -19.687 1.00 0.00 C ATOM 944 CG LYS A 65 60.948 6.613 -19.585 1.00 0.00 C ATOM 945 CD LYS A 65 61.361 5.392 -20.390 1.00 0.00 C ATOM 946 CE LYS A 65 62.835 5.076 -20.202 1.00 0.00 C ATOM 947 NZ LYS A 65 63.671 5.681 -21.275 1.00 0.00 N ATOM 0 H LYS A 65 57.620 8.359 -17.385 1.00 0.00 H new ATOM 0 HA LYS A 65 59.864 8.723 -18.674 1.00 0.00 H new ATOM 0 HB2 LYS A 65 58.922 6.002 -19.302 1.00 0.00 H new ATOM 0 HB3 LYS A 65 59.187 6.972 -20.737 1.00 0.00 H new ATOM 0 HG2 LYS A 65 61.493 7.487 -19.942 1.00 0.00 H new ATOM 0 HG3 LYS A 65 61.223 6.471 -18.540 1.00 0.00 H new ATOM 0 HD2 LYS A 65 60.762 4.534 -20.085 1.00 0.00 H new ATOM 0 HD3 LYS A 65 61.156 5.565 -21.447 1.00 0.00 H new ATOM 0 HE2 LYS A 65 63.165 5.446 -19.231 1.00 0.00 H new ATOM 0 HE3 LYS A 65 62.977 3.995 -20.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 64.670 5.443 -21.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 63.373 5.309 -22.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 63.555 6.714 -21.264 1.00 0.00 H new ATOM 961 N GLY A 66 57.075 9.516 -19.257 1.00 0.00 N ATOM 962 CA GLY A 66 56.150 10.326 -20.027 1.00 0.00 C ATOM 963 C GLY A 66 55.572 9.580 -21.213 1.00 0.00 C ATOM 964 O GLY A 66 55.828 8.364 -21.332 1.00 0.00 O ATOM 965 OXT GLY A 66 54.860 10.210 -22.024 1.00 0.00 O ATOM 0 H GLY A 66 56.865 9.455 -18.261 1.00 0.00 H new ATOM 0 HA2 GLY A 66 55.338 10.658 -19.380 1.00 0.00 H new ATOM 0 HA3 GLY A 66 56.663 11.221 -20.380 1.00 0.00 H new TER 969 GLY A 66