USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 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 35 ASN : amide:sc= 0.991 K(o=1.6,f=-3.1!) USER MOD Set 1.2: A 65 SER OG : rot 92:sc= 0.586 USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.77! USER MOD Single : A 13 GLN : amide:sc= -0.0493 K(o=-0.049,f=-0.61) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0175) USER MOD Single : A 24 ASN : amide:sc= -4.1! C(o=-4.1!,f=-10!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 33 THR OG1 : rot -120:sc= -0.926 USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= -0.0719 (180deg=-1.56!) USER MOD Single : A 41 CYS SG : rot -156:sc= -16.7! USER MOD Single : A 42 MET CE :methyl -133:sc= -1.59! (180deg=-4.84!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -79:sc= -1.93! USER MOD Single : A 56 TYR OH : rot 180:sc= -1.45! USER MOD Single : A 58 TYR OH : rot -69:sc= 0.00503 USER MOD Single : A 59 GLN : amide:sc= -0.74 K(o=-0.74,f=0) USER MOD Single : A 61 TYR OH : rot -74:sc= -7.18! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= -3.72 (180deg=-4.26!) USER MOD Single : A 74 SER OG : rot 180:sc= -3.84! USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= -0.761 (180deg=-1.64!) USER MOD Single : A 88 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.573 8.377 -5.677 1.00 0.00 N ATOM 11 CA GLU A 2 -8.531 9.413 -5.411 1.00 0.00 C ATOM 12 C GLU A 2 -7.190 8.748 -5.086 1.00 0.00 C ATOM 13 O GLU A 2 -7.104 7.547 -4.922 1.00 0.00 O ATOM 14 CB GLU A 2 -9.049 10.197 -4.204 1.00 0.00 C ATOM 15 CG GLU A 2 -9.268 9.244 -3.029 1.00 0.00 C ATOM 16 CD GLU A 2 -8.514 9.763 -1.803 1.00 0.00 C ATOM 17 OE1 GLU A 2 -7.465 10.359 -1.987 1.00 0.00 O ATOM 18 OE2 GLU A 2 -8.997 9.557 -0.703 1.00 0.00 O ATOM 0 HA GLU A 2 -8.362 10.058 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.335 10.973 -3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.983 10.699 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.332 9.162 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.919 8.244 -3.288 1.00 0.00 H new ATOM 25 N TRP A 3 -6.142 9.523 -4.994 1.00 0.00 N ATOM 26 CA TRP A 3 -4.806 8.936 -4.684 1.00 0.00 C ATOM 27 C TRP A 3 -4.256 9.516 -3.377 1.00 0.00 C ATOM 28 O TRP A 3 -4.910 10.288 -2.705 1.00 0.00 O ATOM 29 CB TRP A 3 -3.916 9.337 -5.862 1.00 0.00 C ATOM 30 CG TRP A 3 -4.031 10.810 -6.091 1.00 0.00 C ATOM 31 CD1 TRP A 3 -4.876 11.396 -6.971 1.00 0.00 C ATOM 32 CD2 TRP A 3 -3.293 11.891 -5.451 1.00 0.00 C ATOM 33 NE1 TRP A 3 -4.704 12.767 -6.911 1.00 0.00 N ATOM 34 CE2 TRP A 3 -3.740 13.122 -5.988 1.00 0.00 C ATOM 35 CE3 TRP A 3 -2.290 11.924 -4.466 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -3.210 14.341 -5.563 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -1.755 13.149 -4.035 1.00 0.00 C ATOM 38 CH2 TRP A 3 -2.214 14.355 -4.583 1.00 0.00 C ATOM 0 H TRP A 3 -6.153 10.535 -5.120 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.853 7.855 -4.554 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.879 9.069 -5.657 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.214 8.794 -6.759 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.571 10.878 -7.615 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.226 13.435 -7.479 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.928 11.001 -4.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -3.567 15.267 -5.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.986 13.162 -3.277 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -1.798 15.294 -4.248 1.00 0.00 H new ATOM 49 N GLU A 4 -3.058 9.145 -3.014 1.00 0.00 N ATOM 50 CA GLU A 4 -2.462 9.671 -1.751 1.00 0.00 C ATOM 51 C GLU A 4 -1.098 9.021 -1.502 1.00 0.00 C ATOM 52 O GLU A 4 -0.999 7.839 -1.243 1.00 0.00 O ATOM 53 CB GLU A 4 -3.453 9.281 -0.655 1.00 0.00 C ATOM 54 CG GLU A 4 -2.777 9.388 0.712 1.00 0.00 C ATOM 55 CD GLU A 4 -3.664 10.196 1.661 1.00 0.00 C ATOM 56 OE1 GLU A 4 -4.113 11.257 1.259 1.00 0.00 O ATOM 57 OE2 GLU A 4 -3.881 9.738 2.771 1.00 0.00 O ATOM 0 H GLU A 4 -2.466 8.500 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.298 10.748 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.326 9.933 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.808 8.263 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.601 8.393 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.803 9.868 0.611 1.00 0.00 H new ATOM 64 N ILE A 5 -0.047 9.786 -1.586 1.00 0.00 N ATOM 65 CA ILE A 5 1.309 9.229 -1.365 1.00 0.00 C ATOM 66 C ILE A 5 1.655 9.226 0.128 1.00 0.00 C ATOM 67 O ILE A 5 0.865 9.623 0.961 1.00 0.00 O ATOM 68 CB ILE A 5 2.224 10.183 -2.123 1.00 0.00 C ATOM 69 CG1 ILE A 5 2.299 11.517 -1.376 1.00 0.00 C ATOM 70 CG2 ILE A 5 1.669 10.417 -3.529 1.00 0.00 C ATOM 71 CD1 ILE A 5 3.706 11.704 -0.805 1.00 0.00 C ATOM 0 H ILE A 5 -0.073 10.783 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 5 1.400 8.197 -1.703 1.00 0.00 H new ATOM 0 HB ILE A 5 3.221 9.749 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.057 12.338 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.563 11.538 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.324 11.100 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.615 9.467 -4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.672 10.851 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.760 12.654 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.930 10.889 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.432 11.702 -1.618 1.00 0.00 H new ATOM 83 N ILE A 6 2.834 8.777 0.470 1.00 0.00 N ATOM 84 CA ILE A 6 3.237 8.743 1.907 1.00 0.00 C ATOM 85 C ILE A 6 4.666 9.274 2.063 1.00 0.00 C ATOM 86 O ILE A 6 5.182 9.944 1.192 1.00 0.00 O ATOM 87 CB ILE A 6 3.160 7.269 2.323 1.00 0.00 C ATOM 88 CG1 ILE A 6 3.606 6.364 1.152 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.730 6.934 2.750 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.441 6.087 0.184 1.00 0.00 C ATOM 0 H ILE A 6 3.536 8.432 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 6 2.593 9.366 2.527 1.00 0.00 H new ATOM 0 HB ILE A 6 3.830 7.093 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.424 6.841 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.988 5.421 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.675 5.886 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.445 7.564 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.050 7.112 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.787 5.448 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.634 5.588 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.076 7.029 -0.226 1.00 0.00 H new ATOM 102 N ASP A 7 5.315 8.980 3.160 1.00 0.00 N ATOM 103 CA ASP A 7 6.703 9.471 3.351 1.00 0.00 C ATOM 104 C ASP A 7 7.612 8.302 3.697 1.00 0.00 C ATOM 105 O ASP A 7 7.315 7.160 3.412 1.00 0.00 O ATOM 106 CB ASP A 7 6.620 10.451 4.522 1.00 0.00 C ATOM 107 CG ASP A 7 7.010 11.851 4.045 1.00 0.00 C ATOM 108 OD1 ASP A 7 7.913 11.948 3.229 1.00 0.00 O ATOM 109 OD2 ASP A 7 6.400 12.804 4.502 1.00 0.00 O ATOM 0 H ASP A 7 4.941 8.422 3.928 1.00 0.00 H new ATOM 0 HA ASP A 7 7.108 9.945 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.609 10.463 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.284 10.131 5.325 1.00 0.00 H new ATOM 114 N ILE A 8 8.706 8.581 4.325 1.00 0.00 N ATOM 115 CA ILE A 8 9.638 7.496 4.715 1.00 0.00 C ATOM 116 C ILE A 8 9.434 7.195 6.197 1.00 0.00 C ATOM 117 O ILE A 8 10.367 6.925 6.926 1.00 0.00 O ATOM 118 CB ILE A 8 11.037 8.059 4.464 1.00 0.00 C ATOM 119 CG1 ILE A 8 12.078 6.970 4.734 1.00 0.00 C ATOM 120 CG2 ILE A 8 11.286 9.244 5.397 1.00 0.00 C ATOM 121 CD1 ILE A 8 12.947 6.773 3.491 1.00 0.00 C ATOM 0 H ILE A 8 9.001 9.521 4.589 1.00 0.00 H new ATOM 0 HA ILE A 8 9.482 6.572 4.158 1.00 0.00 H new ATOM 0 HB ILE A 8 11.115 8.391 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.700 7.250 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.582 6.035 4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 8 12.284 9.645 5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.544 10.019 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 8 11.209 8.914 6.433 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.688 5.997 3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.319 6.474 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.454 7.707 3.250 1.00 0.00 H new ATOM 133 N GLY A 9 8.212 7.275 6.651 1.00 0.00 N ATOM 134 CA GLY A 9 7.943 7.032 8.099 1.00 0.00 C ATOM 135 C GLY A 9 6.827 5.996 8.309 1.00 0.00 C ATOM 136 O GLY A 9 7.034 5.007 8.985 1.00 0.00 O ATOM 0 H GLY A 9 7.392 7.497 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.855 6.686 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.663 7.970 8.578 1.00 0.00 H new ATOM 140 N PRO A 10 5.669 6.264 7.761 1.00 0.00 N ATOM 141 CA PRO A 10 4.524 5.349 7.944 1.00 0.00 C ATOM 142 C PRO A 10 4.584 4.181 6.957 1.00 0.00 C ATOM 143 O PRO A 10 4.945 3.079 7.318 1.00 0.00 O ATOM 144 CB PRO A 10 3.314 6.240 7.681 1.00 0.00 C ATOM 145 CG PRO A 10 3.810 7.357 6.811 1.00 0.00 C ATOM 146 CD PRO A 10 5.317 7.414 6.924 1.00 0.00 C ATOM 0 HA PRO A 10 4.502 4.887 8.931 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.518 5.683 7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.901 6.625 8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.513 7.192 5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.370 8.304 7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.791 7.351 5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.645 8.349 7.377 1.00 0.00 H new ATOM 154 N PHE A 11 4.226 4.404 5.722 1.00 0.00 N ATOM 155 CA PHE A 11 4.263 3.287 4.736 1.00 0.00 C ATOM 156 C PHE A 11 5.554 2.486 4.904 1.00 0.00 C ATOM 157 O PHE A 11 5.589 1.294 4.668 1.00 0.00 O ATOM 158 CB PHE A 11 4.196 3.954 3.365 1.00 0.00 C ATOM 159 CG PHE A 11 2.761 3.952 2.897 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.733 4.247 3.802 1.00 0.00 C ATOM 161 CD2 PHE A 11 2.457 3.654 1.566 1.00 0.00 C ATOM 162 CE1 PHE A 11 0.401 4.243 3.373 1.00 0.00 C ATOM 163 CE2 PHE A 11 1.125 3.652 1.136 1.00 0.00 C ATOM 164 CZ PHE A 11 0.096 3.947 2.040 1.00 0.00 C ATOM 0 H PHE A 11 3.912 5.303 5.355 1.00 0.00 H new ATOM 0 HA PHE A 11 3.440 2.585 4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.574 4.975 3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.826 3.420 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.968 4.477 4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.250 3.425 0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.392 4.468 4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.890 3.423 0.107 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.932 3.946 1.708 1.00 0.00 H new ATOM 174 N THR A 12 6.609 3.120 5.339 1.00 0.00 N ATOM 175 CA THR A 12 7.874 2.383 5.555 1.00 0.00 C ATOM 176 C THR A 12 7.635 1.330 6.625 1.00 0.00 C ATOM 177 O THR A 12 7.787 0.144 6.407 1.00 0.00 O ATOM 178 CB THR A 12 8.848 3.439 6.062 1.00 0.00 C ATOM 179 OG1 THR A 12 8.501 3.801 7.392 1.00 0.00 O ATOM 180 CG2 THR A 12 8.785 4.668 5.163 1.00 0.00 C ATOM 0 H THR A 12 6.644 4.117 5.553 1.00 0.00 H new ATOM 0 HA THR A 12 8.248 1.883 4.662 1.00 0.00 H new ATOM 0 HB THR A 12 9.861 3.036 6.048 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.127 4.480 7.720 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.483 5.422 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.053 4.388 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.774 5.075 5.173 1.00 0.00 H new ATOM 188 N GLN A 13 7.233 1.770 7.783 1.00 0.00 N ATOM 189 CA GLN A 13 6.951 0.805 8.880 1.00 0.00 C ATOM 190 C GLN A 13 5.804 -0.115 8.460 1.00 0.00 C ATOM 191 O GLN A 13 5.572 -1.156 9.044 1.00 0.00 O ATOM 192 CB GLN A 13 6.549 1.665 10.079 1.00 0.00 C ATOM 193 CG GLN A 13 7.325 1.212 11.317 1.00 0.00 C ATOM 194 CD GLN A 13 7.628 2.423 12.202 1.00 0.00 C ATOM 195 OE1 GLN A 13 6.888 3.386 12.206 1.00 0.00 O ATOM 196 NE2 GLN A 13 8.693 2.415 12.955 1.00 0.00 N ATOM 0 H GLN A 13 7.088 2.752 8.017 1.00 0.00 H new ATOM 0 HA GLN A 13 7.806 0.172 9.117 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.755 2.715 9.872 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.477 1.580 10.258 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.744 0.477 11.874 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.253 0.725 11.019 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.314 1.606 12.951 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.905 3.218 13.548 1.00 0.00 H new ATOM 205 N ASN A 14 5.093 0.270 7.439 1.00 0.00 N ATOM 206 CA ASN A 14 3.960 -0.565 6.951 1.00 0.00 C ATOM 207 C ASN A 14 4.478 -1.660 6.028 1.00 0.00 C ATOM 208 O ASN A 14 4.300 -2.837 6.273 1.00 0.00 O ATOM 209 CB ASN A 14 3.055 0.401 6.185 1.00 0.00 C ATOM 210 CG ASN A 14 1.612 0.241 6.668 1.00 0.00 C ATOM 211 OD1 ASN A 14 1.291 0.588 7.787 1.00 0.00 O ATOM 212 ND2 ASN A 14 0.722 -0.275 5.866 1.00 0.00 N ATOM 0 H ASN A 14 5.248 1.133 6.918 1.00 0.00 H new ATOM 0 HA ASN A 14 3.429 -1.059 7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.389 1.427 6.338 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.116 0.202 5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.242 -0.387 6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.991 -0.567 4.926 1.00 0.00 H new ATOM 219 N LEU A 15 5.121 -1.275 4.970 1.00 0.00 N ATOM 220 CA LEU A 15 5.665 -2.281 4.017 1.00 0.00 C ATOM 221 C LEU A 15 6.307 -3.434 4.794 1.00 0.00 C ATOM 222 O LEU A 15 6.299 -4.568 4.362 1.00 0.00 O ATOM 223 CB LEU A 15 6.706 -1.524 3.179 1.00 0.00 C ATOM 224 CG LEU A 15 8.041 -1.449 3.927 1.00 0.00 C ATOM 225 CD1 LEU A 15 8.869 -2.699 3.621 1.00 0.00 C ATOM 226 CD2 LEU A 15 8.810 -0.207 3.472 1.00 0.00 C ATOM 0 H LEU A 15 5.296 -0.302 4.719 1.00 0.00 H new ATOM 0 HA LEU A 15 4.894 -2.719 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.846 -2.026 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.346 -0.518 2.962 1.00 0.00 H new ATOM 0 HG LEU A 15 7.854 -1.390 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.819 -2.646 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.322 -3.585 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.057 -2.758 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.760 -0.152 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.997 -0.267 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.222 0.685 3.688 1.00 0.00 H new ATOM 238 N GLY A 16 6.855 -3.151 5.945 1.00 0.00 N ATOM 239 CA GLY A 16 7.487 -4.232 6.752 1.00 0.00 C ATOM 240 C GLY A 16 6.395 -5.115 7.359 1.00 0.00 C ATOM 241 O GLY A 16 6.365 -6.314 7.154 1.00 0.00 O ATOM 0 H GLY A 16 6.892 -2.220 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.148 -4.831 6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.102 -3.800 7.542 1.00 0.00 H new ATOM 245 N LYS A 17 5.494 -4.532 8.103 1.00 0.00 N ATOM 246 CA LYS A 17 4.403 -5.338 8.724 1.00 0.00 C ATOM 247 C LYS A 17 3.433 -5.839 7.656 1.00 0.00 C ATOM 248 O LYS A 17 3.331 -7.020 7.392 1.00 0.00 O ATOM 249 CB LYS A 17 3.696 -4.377 9.680 1.00 0.00 C ATOM 250 CG LYS A 17 4.098 -4.700 11.121 1.00 0.00 C ATOM 251 CD LYS A 17 5.328 -3.875 11.505 1.00 0.00 C ATOM 252 CE LYS A 17 6.262 -4.723 12.373 1.00 0.00 C ATOM 253 NZ LYS A 17 5.627 -4.737 13.720 1.00 0.00 N ATOM 0 H LYS A 17 5.466 -3.533 8.308 1.00 0.00 H new ATOM 0 HA LYS A 17 4.787 -6.219 9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.962 -3.348 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.615 -4.463 9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.273 -4.479 11.798 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.315 -5.764 11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.850 -3.542 10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.024 -2.980 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.364 -5.732 11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.263 -4.293 12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.292 -4.354 14.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.766 -4.153 13.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.378 -5.714 13.976 1.00 0.00 H new ATOM 267 N PHE A 18 2.723 -4.940 7.051 1.00 0.00 N ATOM 268 CA PHE A 18 1.741 -5.323 5.994 1.00 0.00 C ATOM 269 C PHE A 18 2.306 -6.446 5.122 1.00 0.00 C ATOM 270 O PHE A 18 1.661 -7.445 4.879 1.00 0.00 O ATOM 271 CB PHE A 18 1.507 -4.022 5.197 1.00 0.00 C ATOM 272 CG PHE A 18 1.590 -4.268 3.704 1.00 0.00 C ATOM 273 CD1 PHE A 18 2.834 -4.261 3.064 1.00 0.00 C ATOM 274 CD2 PHE A 18 0.424 -4.500 2.964 1.00 0.00 C ATOM 275 CE1 PHE A 18 2.916 -4.486 1.686 1.00 0.00 C ATOM 276 CE2 PHE A 18 0.506 -4.725 1.585 1.00 0.00 C ATOM 277 CZ PHE A 18 1.751 -4.717 0.945 1.00 0.00 C ATOM 0 H PHE A 18 2.777 -3.939 7.242 1.00 0.00 H new ATOM 0 HA PHE A 18 0.807 -5.713 6.398 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.528 -3.611 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.248 -3.277 5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.733 -4.081 3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.537 -4.505 3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.877 -4.482 1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.393 -4.905 1.014 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.813 -4.889 -0.119 1.00 0.00 H new ATOM 287 N ALA A 19 3.501 -6.284 4.658 1.00 0.00 N ATOM 288 CA ALA A 19 4.113 -7.338 3.803 1.00 0.00 C ATOM 289 C ALA A 19 4.056 -8.686 4.521 1.00 0.00 C ATOM 290 O ALA A 19 3.227 -9.517 4.225 1.00 0.00 O ATOM 291 CB ALA A 19 5.560 -6.898 3.594 1.00 0.00 C ATOM 0 H ALA A 19 4.088 -5.468 4.830 1.00 0.00 H new ATOM 0 HA ALA A 19 3.591 -7.457 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.076 -7.628 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.577 -5.925 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.061 -6.826 4.559 1.00 0.00 H new ATOM 297 N VAL A 20 4.930 -8.902 5.467 1.00 0.00 N ATOM 298 CA VAL A 20 4.932 -10.198 6.210 1.00 0.00 C ATOM 299 C VAL A 20 3.497 -10.695 6.455 1.00 0.00 C ATOM 300 O VAL A 20 3.258 -11.878 6.575 1.00 0.00 O ATOM 301 CB VAL A 20 5.650 -9.883 7.526 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.199 -10.849 8.626 1.00 0.00 C ATOM 303 CG2 VAL A 20 7.160 -10.026 7.321 1.00 0.00 C ATOM 0 H VAL A 20 5.645 -8.236 5.759 1.00 0.00 H new ATOM 0 HA VAL A 20 5.427 -10.996 5.656 1.00 0.00 H new ATOM 0 HB VAL A 20 5.405 -8.864 7.827 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.719 -10.611 9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.124 -10.752 8.777 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.433 -11.872 8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.677 -9.803 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.390 -11.046 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.490 -9.331 6.549 1.00 0.00 H new ATOM 313 N ASP A 21 2.538 -9.814 6.519 1.00 0.00 N ATOM 314 CA ASP A 21 1.135 -10.271 6.741 1.00 0.00 C ATOM 315 C ASP A 21 0.455 -10.541 5.402 1.00 0.00 C ATOM 316 O ASP A 21 0.247 -11.676 5.030 1.00 0.00 O ATOM 317 CB ASP A 21 0.445 -9.127 7.484 1.00 0.00 C ATOM 318 CG ASP A 21 0.588 -9.339 8.992 1.00 0.00 C ATOM 319 OD1 ASP A 21 1.570 -9.940 9.396 1.00 0.00 O ATOM 320 OD2 ASP A 21 -0.287 -8.897 9.718 1.00 0.00 O ATOM 0 H ASP A 21 2.661 -8.806 6.428 1.00 0.00 H new ATOM 0 HA ASP A 21 1.089 -11.198 7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.887 -8.173 7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.609 -9.085 7.210 1.00 0.00 H new ATOM 325 N GLU A 22 0.105 -9.525 4.665 1.00 0.00 N ATOM 326 CA GLU A 22 -0.553 -9.793 3.358 1.00 0.00 C ATOM 327 C GLU A 22 0.380 -10.631 2.487 1.00 0.00 C ATOM 328 O GLU A 22 -0.056 -11.472 1.737 1.00 0.00 O ATOM 329 CB GLU A 22 -0.850 -8.423 2.738 1.00 0.00 C ATOM 330 CG GLU A 22 -1.426 -7.493 3.808 1.00 0.00 C ATOM 331 CD GLU A 22 -2.813 -7.011 3.375 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.128 -7.149 2.204 1.00 0.00 O ATOM 333 OE2 GLU A 22 -3.535 -6.513 4.223 1.00 0.00 O ATOM 0 H GLU A 22 0.242 -8.543 4.903 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.479 -10.359 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.062 -7.995 2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.557 -8.530 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.493 -8.016 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.764 -6.640 3.958 1.00 0.00 H new ATOM 340 N GLU A 23 1.659 -10.444 2.612 1.00 0.00 N ATOM 341 CA GLU A 23 2.610 -11.272 1.813 1.00 0.00 C ATOM 342 C GLU A 23 2.457 -12.726 2.242 1.00 0.00 C ATOM 343 O GLU A 23 2.151 -13.587 1.447 1.00 0.00 O ATOM 344 CB GLU A 23 4.007 -10.738 2.145 1.00 0.00 C ATOM 345 CG GLU A 23 4.977 -11.062 1.006 1.00 0.00 C ATOM 346 CD GLU A 23 6.351 -11.404 1.587 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.485 -11.364 2.798 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.243 -11.700 0.811 1.00 0.00 O ATOM 0 H GLU A 23 2.091 -9.757 3.230 1.00 0.00 H new ATOM 0 HA GLU A 23 2.429 -11.219 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.965 -9.660 2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.363 -11.182 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.599 -11.900 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.058 -10.211 0.330 1.00 0.00 H new ATOM 355 N ASN A 24 2.626 -13.007 3.501 1.00 0.00 N ATOM 356 CA ASN A 24 2.432 -14.411 3.948 1.00 0.00 C ATOM 357 C ASN A 24 0.979 -14.787 3.682 1.00 0.00 C ATOM 358 O ASN A 24 0.683 -15.827 3.127 1.00 0.00 O ATOM 359 CB ASN A 24 2.727 -14.421 5.450 1.00 0.00 C ATOM 360 CG ASN A 24 4.195 -14.070 5.695 1.00 0.00 C ATOM 361 OD1 ASN A 24 4.734 -13.182 5.066 1.00 0.00 O ATOM 362 ND2 ASN A 24 4.868 -14.732 6.597 1.00 0.00 N ATOM 0 H ASN A 24 2.885 -12.340 4.228 1.00 0.00 H new ATOM 0 HA ASN A 24 3.078 -15.120 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.083 -13.705 5.961 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.505 -15.403 5.866 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.846 -14.503 6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.415 -15.478 7.125 1.00 0.00 H new ATOM 369 N LYS A 25 0.067 -13.932 4.062 1.00 0.00 N ATOM 370 CA LYS A 25 -1.373 -14.226 3.816 1.00 0.00 C ATOM 371 C LYS A 25 -1.618 -14.486 2.327 1.00 0.00 C ATOM 372 O LYS A 25 -2.360 -15.374 1.955 1.00 0.00 O ATOM 373 CB LYS A 25 -2.120 -12.973 4.275 1.00 0.00 C ATOM 374 CG LYS A 25 -3.585 -13.321 4.541 1.00 0.00 C ATOM 375 CD LYS A 25 -3.981 -12.835 5.936 1.00 0.00 C ATOM 376 CE LYS A 25 -3.976 -14.015 6.909 1.00 0.00 C ATOM 377 NZ LYS A 25 -4.190 -13.407 8.252 1.00 0.00 N ATOM 0 H LYS A 25 0.257 -13.046 4.530 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.707 -15.116 4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.660 -12.573 5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.052 -12.197 3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.222 -12.857 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.733 -14.398 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.286 -12.067 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.971 -12.379 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.764 -14.728 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.031 -14.557 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.199 -14.155 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.421 -12.737 8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.100 -12.903 8.264 1.00 0.00 H new ATOM 391 N ILE A 26 -1.002 -13.718 1.477 1.00 0.00 N ATOM 392 CA ILE A 26 -1.202 -13.920 0.006 1.00 0.00 C ATOM 393 C ILE A 26 -0.484 -15.191 -0.459 1.00 0.00 C ATOM 394 O ILE A 26 -0.669 -15.649 -1.568 1.00 0.00 O ATOM 395 CB ILE A 26 -0.623 -12.667 -0.684 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.298 -12.477 -2.046 1.00 0.00 C ATOM 397 CG2 ILE A 26 0.888 -12.809 -0.901 1.00 0.00 C ATOM 398 CD1 ILE A 26 -2.817 -12.477 -1.874 1.00 0.00 C ATOM 0 H ILE A 26 -0.369 -12.959 1.730 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.256 -14.046 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.810 -11.807 -0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.973 -11.539 -2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.999 -13.276 -2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.271 -11.913 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.383 -12.938 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.085 -13.677 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.293 -12.342 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.134 -13.427 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.108 -11.663 -1.211 1.00 0.00 H new ATOM 410 N GLY A 27 0.337 -15.758 0.380 1.00 0.00 N ATOM 411 CA GLY A 27 1.068 -16.994 -0.018 1.00 0.00 C ATOM 412 C GLY A 27 2.486 -16.618 -0.446 1.00 0.00 C ATOM 413 O GLY A 27 2.948 -16.989 -1.508 1.00 0.00 O ATOM 0 H GLY A 27 0.533 -15.420 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.100 -17.697 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.548 -17.492 -0.836 1.00 0.00 H new ATOM 417 N GLN A 28 3.176 -15.881 0.375 1.00 0.00 N ATOM 418 CA GLN A 28 4.563 -15.469 0.033 1.00 0.00 C ATOM 419 C GLN A 28 5.217 -14.830 1.256 1.00 0.00 C ATOM 420 O GLN A 28 5.120 -13.641 1.475 1.00 0.00 O ATOM 421 CB GLN A 28 4.410 -14.446 -1.094 1.00 0.00 C ATOM 422 CG GLN A 28 5.768 -13.807 -1.392 1.00 0.00 C ATOM 423 CD GLN A 28 6.586 -14.740 -2.287 1.00 0.00 C ATOM 424 OE1 GLN A 28 6.540 -14.635 -3.497 1.00 0.00 O ATOM 425 NE2 GLN A 28 7.339 -15.653 -1.739 1.00 0.00 N ATOM 0 H GLN A 28 2.836 -15.544 1.276 1.00 0.00 H new ATOM 0 HA GLN A 28 5.189 -16.308 -0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.020 -14.931 -1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.690 -13.679 -0.808 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.629 -12.844 -1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.304 -13.616 -0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.377 -15.741 -0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.890 -16.279 -2.326 1.00 0.00 H new ATOM 486 N LEU A 32 11.448 -11.611 6.034 1.00 0.00 N ATOM 487 CA LEU A 32 11.007 -10.317 6.634 1.00 0.00 C ATOM 488 C LEU A 32 10.952 -9.215 5.572 1.00 0.00 C ATOM 489 O LEU A 32 11.800 -8.351 5.517 1.00 0.00 O ATOM 490 CB LEU A 32 12.021 -9.967 7.742 1.00 0.00 C ATOM 491 CG LEU A 32 13.485 -10.253 7.339 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.845 -11.707 7.657 1.00 0.00 C ATOM 493 CD2 LEU A 32 13.736 -9.959 5.850 1.00 0.00 C ATOM 0 HA LEU A 32 10.002 -10.404 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.921 -8.912 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.780 -10.537 8.639 1.00 0.00 H new ATOM 0 HG LEU A 32 14.123 -9.587 7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.879 -11.897 7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.727 -11.886 8.726 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.185 -12.375 7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.777 -10.173 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.085 -10.586 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.524 -8.910 5.646 1.00 0.00 H new ATOM 505 N THR A 33 9.949 -9.242 4.736 1.00 0.00 N ATOM 506 CA THR A 33 9.814 -8.207 3.675 1.00 0.00 C ATOM 507 C THR A 33 10.150 -6.816 4.229 1.00 0.00 C ATOM 508 O THR A 33 9.288 -6.103 4.702 1.00 0.00 O ATOM 509 CB THR A 33 8.342 -8.285 3.266 1.00 0.00 C ATOM 510 OG1 THR A 33 7.590 -8.871 4.319 1.00 0.00 O ATOM 511 CG2 THR A 33 8.195 -9.135 2.001 1.00 0.00 C ATOM 0 H THR A 33 9.210 -9.945 4.745 1.00 0.00 H new ATOM 0 HA THR A 33 10.492 -8.373 2.838 1.00 0.00 H new ATOM 0 HB THR A 33 7.972 -7.279 3.066 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.162 -9.692 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.144 -9.185 1.717 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.769 -8.684 1.191 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.567 -10.141 2.193 1.00 0.00 H new ATOM 519 N PHE A 34 11.401 -6.432 4.170 1.00 0.00 N ATOM 520 CA PHE A 34 11.825 -5.092 4.690 1.00 0.00 C ATOM 521 C PHE A 34 13.350 -5.075 4.857 1.00 0.00 C ATOM 522 O PHE A 34 13.900 -5.807 5.655 1.00 0.00 O ATOM 523 CB PHE A 34 11.133 -4.937 6.051 1.00 0.00 C ATOM 524 CG PHE A 34 11.843 -3.885 6.871 1.00 0.00 C ATOM 525 CD1 PHE A 34 12.294 -2.708 6.261 1.00 0.00 C ATOM 526 CD2 PHE A 34 12.048 -4.087 8.242 1.00 0.00 C ATOM 527 CE1 PHE A 34 12.951 -1.733 7.022 1.00 0.00 C ATOM 528 CE2 PHE A 34 12.705 -3.111 9.002 1.00 0.00 C ATOM 529 CZ PHE A 34 13.156 -1.934 8.392 1.00 0.00 C ATOM 0 H PHE A 34 12.156 -6.995 3.779 1.00 0.00 H new ATOM 0 HA PHE A 34 11.555 -4.279 4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.089 -4.657 5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.138 -5.889 6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.135 -2.552 5.204 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.700 -4.995 8.713 1.00 0.00 H new ATOM 0 HE1 PHE A 34 13.300 -0.826 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.864 -3.266 10.059 1.00 0.00 H new ATOM 0 HZ PHE A 34 13.662 -1.181 8.979 1.00 0.00 H new ATOM 539 N ASN A 35 14.039 -4.254 4.110 1.00 0.00 N ATOM 540 CA ASN A 35 15.525 -4.215 4.241 1.00 0.00 C ATOM 541 C ASN A 35 16.114 -2.967 3.568 1.00 0.00 C ATOM 542 O ASN A 35 16.779 -2.173 4.202 1.00 0.00 O ATOM 543 CB ASN A 35 16.013 -5.480 3.535 1.00 0.00 C ATOM 544 CG ASN A 35 16.962 -6.247 4.456 1.00 0.00 C ATOM 545 OD1 ASN A 35 16.584 -7.239 5.049 1.00 0.00 O ATOM 546 ND2 ASN A 35 18.189 -5.828 4.605 1.00 0.00 N ATOM 0 H ASN A 35 13.642 -3.615 3.421 1.00 0.00 H new ATOM 0 HA ASN A 35 15.835 -4.172 5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.164 -6.109 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.523 -5.218 2.608 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.829 -6.332 5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 35 18.508 -4.996 4.108 1.00 0.00 H new ATOM 553 N LYS A 36 15.898 -2.795 2.290 1.00 0.00 N ATOM 554 CA LYS A 36 16.478 -1.603 1.599 1.00 0.00 C ATOM 555 C LYS A 36 15.790 -0.309 2.056 1.00 0.00 C ATOM 556 O LYS A 36 16.061 0.192 3.128 1.00 0.00 O ATOM 557 CB LYS A 36 16.254 -1.848 0.107 1.00 0.00 C ATOM 558 CG LYS A 36 16.880 -0.707 -0.698 1.00 0.00 C ATOM 559 CD LYS A 36 18.383 -0.646 -0.418 1.00 0.00 C ATOM 560 CE LYS A 36 19.033 -1.967 -0.831 1.00 0.00 C ATOM 561 NZ LYS A 36 18.666 -2.145 -2.263 1.00 0.00 N ATOM 0 H LYS A 36 15.351 -3.421 1.699 1.00 0.00 H new ATOM 0 HA LYS A 36 17.536 -1.480 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 36 16.697 -2.800 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.187 -1.914 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.704 -0.860 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.411 0.240 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.833 0.180 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.559 -0.457 0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.115 -1.932 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.666 -2.794 -0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.399 -2.706 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.753 -2.639 -2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.589 -1.214 -2.720 1.00 0.00 H new ATOM 575 N VAL A 37 14.921 0.255 1.253 1.00 0.00 N ATOM 576 CA VAL A 37 14.263 1.529 1.672 1.00 0.00 C ATOM 577 C VAL A 37 12.947 1.760 0.913 1.00 0.00 C ATOM 578 O VAL A 37 12.611 1.047 -0.011 1.00 0.00 O ATOM 579 CB VAL A 37 15.285 2.609 1.314 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.605 3.979 1.258 1.00 0.00 C ATOM 581 CG2 VAL A 37 16.387 2.630 2.374 1.00 0.00 C ATOM 0 H VAL A 37 14.643 -0.105 0.340 1.00 0.00 H new ATOM 0 HA VAL A 37 13.998 1.525 2.729 1.00 0.00 H new ATOM 0 HB VAL A 37 15.715 2.387 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.342 4.741 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.820 3.965 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.168 4.208 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.118 3.398 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.950 2.849 3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.879 1.658 2.407 1.00 0.00 H new ATOM 591 N ILE A 38 12.208 2.765 1.309 1.00 0.00 N ATOM 592 CA ILE A 38 10.912 3.080 0.634 1.00 0.00 C ATOM 593 C ILE A 38 10.925 4.529 0.136 1.00 0.00 C ATOM 594 O ILE A 38 11.029 5.463 0.904 1.00 0.00 O ATOM 595 CB ILE A 38 9.826 2.856 1.709 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.582 3.713 1.399 1.00 0.00 C ATOM 597 CG2 ILE A 38 10.365 3.194 3.106 1.00 0.00 C ATOM 598 CD1 ILE A 38 8.723 5.134 1.965 1.00 0.00 C ATOM 0 H ILE A 38 12.450 3.388 2.080 1.00 0.00 H new ATOM 0 HA ILE A 38 10.729 2.454 -0.239 1.00 0.00 H new ATOM 0 HB ILE A 38 9.543 1.803 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.433 3.763 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.697 3.238 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.583 3.029 3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.219 2.555 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.676 4.238 3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.829 5.710 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.847 5.084 3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.594 5.617 1.522 1.00 0.00 H new ATOM 610 N ARG A 39 10.827 4.718 -1.152 1.00 0.00 N ATOM 611 CA ARG A 39 10.833 6.107 -1.704 1.00 0.00 C ATOM 612 C ARG A 39 9.577 6.342 -2.554 1.00 0.00 C ATOM 613 O ARG A 39 8.827 7.261 -2.288 1.00 0.00 O ATOM 614 CB ARG A 39 12.107 6.256 -2.561 1.00 0.00 C ATOM 615 CG ARG A 39 13.063 5.073 -2.343 1.00 0.00 C ATOM 616 CD ARG A 39 14.468 5.459 -2.810 1.00 0.00 C ATOM 617 NE ARG A 39 14.267 6.126 -4.126 1.00 0.00 N ATOM 618 CZ ARG A 39 13.761 5.459 -5.127 1.00 0.00 C ATOM 619 NH1 ARG A 39 13.883 4.161 -5.174 1.00 0.00 N ATOM 620 NH2 ARG A 39 13.132 6.090 -6.081 1.00 0.00 N ATOM 0 H ARG A 39 10.743 3.975 -1.845 1.00 0.00 H new ATOM 0 HA ARG A 39 10.829 6.844 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.835 6.318 -3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.613 7.188 -2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.082 4.797 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.712 4.201 -2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.951 6.128 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.107 4.581 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 39 14.525 7.106 -4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.374 3.668 -4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.487 3.640 -5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.036 7.105 -6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.737 5.568 -6.863 1.00 0.00 H new ATOM 634 N PRO A 40 9.369 5.509 -3.549 1.00 0.00 N ATOM 635 CA PRO A 40 8.183 5.659 -4.410 1.00 0.00 C ATOM 636 C PRO A 40 6.983 4.923 -3.805 1.00 0.00 C ATOM 637 O PRO A 40 6.277 4.181 -4.469 1.00 0.00 O ATOM 638 CB PRO A 40 8.625 5.044 -5.732 1.00 0.00 C ATOM 639 CG PRO A 40 9.736 4.089 -5.393 1.00 0.00 C ATOM 640 CD PRO A 40 10.191 4.370 -3.975 1.00 0.00 C ATOM 0 HA PRO A 40 7.856 6.692 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.798 4.525 -6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.969 5.812 -6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.392 3.059 -5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.566 4.210 -6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.038 3.505 -3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.253 4.611 -3.939 1.00 0.00 H new ATOM 648 N CYS A 41 6.743 5.136 -2.544 1.00 0.00 N ATOM 649 CA CYS A 41 5.585 4.476 -1.881 1.00 0.00 C ATOM 650 C CYS A 41 4.340 5.359 -2.018 1.00 0.00 C ATOM 651 O CYS A 41 4.304 6.477 -1.539 1.00 0.00 O ATOM 652 CB CYS A 41 5.990 4.343 -0.415 1.00 0.00 C ATOM 653 SG CYS A 41 6.160 2.592 -0.002 1.00 0.00 S ATOM 0 H CYS A 41 7.300 5.741 -1.941 1.00 0.00 H new ATOM 0 HA CYS A 41 5.346 3.509 -2.322 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.931 4.864 -0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.241 4.809 0.225 1.00 0.00 H new ATOM 0 HG CYS A 41 6.000 2.431 1.278 1.00 0.00 H new ATOM 659 N MET A 42 3.323 4.873 -2.677 1.00 0.00 N ATOM 660 CA MET A 42 2.088 5.691 -2.850 1.00 0.00 C ATOM 661 C MET A 42 0.853 4.906 -2.399 1.00 0.00 C ATOM 662 O MET A 42 0.942 3.770 -1.980 1.00 0.00 O ATOM 663 CB MET A 42 2.017 5.980 -4.350 1.00 0.00 C ATOM 664 CG MET A 42 2.275 7.467 -4.596 1.00 0.00 C ATOM 665 SD MET A 42 1.007 8.123 -5.710 1.00 0.00 S ATOM 666 CE MET A 42 2.008 9.440 -6.441 1.00 0.00 C ATOM 0 H MET A 42 3.294 3.946 -3.102 1.00 0.00 H new ATOM 0 HA MET A 42 2.114 6.603 -2.254 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.755 5.379 -4.882 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.038 5.701 -4.739 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.261 8.011 -3.651 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.265 7.608 -5.031 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.438 10.369 -6.449 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.916 9.576 -5.853 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.275 9.170 -7.463 1.00 0.00 H new ATOM 676 N LYS A 43 -0.301 5.509 -2.489 1.00 0.00 N ATOM 677 CA LYS A 43 -1.551 4.808 -2.074 1.00 0.00 C ATOM 678 C LYS A 43 -2.759 5.458 -2.753 1.00 0.00 C ATOM 679 O LYS A 43 -2.875 6.667 -2.801 1.00 0.00 O ATOM 680 CB LYS A 43 -1.622 4.987 -0.557 1.00 0.00 C ATOM 681 CG LYS A 43 -2.959 4.452 -0.040 1.00 0.00 C ATOM 682 CD LYS A 43 -3.668 5.541 0.766 1.00 0.00 C ATOM 683 CE LYS A 43 -4.434 4.902 1.926 1.00 0.00 C ATOM 684 NZ LYS A 43 -4.534 5.972 2.956 1.00 0.00 N ATOM 0 H LYS A 43 -0.433 6.460 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.553 3.755 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.798 4.458 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.516 6.041 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.585 4.138 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.794 3.573 0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.940 6.257 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.354 6.094 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.421 4.565 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.908 4.029 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.048 5.610 3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.579 6.268 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.045 6.787 2.561 1.00 0.00 H new ATOM 698 N LYS A 44 -3.656 4.673 -3.287 1.00 0.00 N ATOM 699 CA LYS A 44 -4.843 5.266 -3.968 1.00 0.00 C ATOM 700 C LYS A 44 -6.105 4.447 -3.681 1.00 0.00 C ATOM 701 O LYS A 44 -6.171 3.266 -3.961 1.00 0.00 O ATOM 702 CB LYS A 44 -4.506 5.222 -5.459 1.00 0.00 C ATOM 703 CG LYS A 44 -5.597 5.940 -6.255 1.00 0.00 C ATOM 704 CD LYS A 44 -5.505 5.537 -7.728 1.00 0.00 C ATOM 705 CE LYS A 44 -5.283 6.785 -8.586 1.00 0.00 C ATOM 706 NZ LYS A 44 -4.016 6.523 -9.325 1.00 0.00 N ATOM 0 H LYS A 44 -3.619 3.654 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.046 6.279 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.541 5.695 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.420 4.188 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.579 5.684 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.484 7.019 -6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.686 4.833 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.420 5.030 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.114 6.945 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.202 7.680 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.796 7.335 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.241 6.381 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.125 5.670 -9.909 1.00 0.00 H new ATOM 720 N THR A 45 -7.113 5.071 -3.135 1.00 0.00 N ATOM 721 CA THR A 45 -8.375 4.334 -2.842 1.00 0.00 C ATOM 722 C THR A 45 -9.417 4.652 -3.913 1.00 0.00 C ATOM 723 O THR A 45 -9.436 5.728 -4.475 1.00 0.00 O ATOM 724 CB THR A 45 -8.837 4.854 -1.475 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.966 4.361 -0.467 1.00 0.00 O ATOM 726 CG2 THR A 45 -10.269 4.381 -1.187 1.00 0.00 C ATOM 0 H THR A 45 -7.117 6.058 -2.879 1.00 0.00 H new ATOM 0 HA THR A 45 -8.233 3.253 -2.835 1.00 0.00 H new ATOM 0 HB THR A 45 -8.817 5.944 -1.482 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.204 3.434 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.587 4.756 -0.214 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.939 4.760 -1.959 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.298 3.291 -1.183 1.00 0.00 H new ATOM 734 N ILE A 46 -10.301 3.734 -4.183 1.00 0.00 N ATOM 735 CA ILE A 46 -11.354 3.997 -5.194 1.00 0.00 C ATOM 736 C ILE A 46 -12.674 4.192 -4.464 1.00 0.00 C ATOM 737 O ILE A 46 -13.686 3.630 -4.815 1.00 0.00 O ATOM 738 CB ILE A 46 -11.400 2.748 -6.064 1.00 0.00 C ATOM 739 CG1 ILE A 46 -12.476 2.925 -7.136 1.00 0.00 C ATOM 740 CG2 ILE A 46 -11.739 1.540 -5.190 1.00 0.00 C ATOM 741 CD1 ILE A 46 -11.811 3.238 -8.478 1.00 0.00 C ATOM 0 H ILE A 46 -10.338 2.813 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.162 4.885 -5.797 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.433 2.590 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.076 2.019 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.154 3.732 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.773 0.642 -5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.976 1.422 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.710 1.693 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.577 3.364 -9.243 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.230 4.156 -8.391 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.151 2.417 -8.757 1.00 0.00 H new ATOM 898 N GLY A 55 -13.669 1.182 -2.338 1.00 0.00 N ATOM 899 CA GLY A 55 -12.576 0.273 -1.889 1.00 0.00 C ATOM 900 C GLY A 55 -11.284 1.055 -1.680 1.00 0.00 C ATOM 901 O GLY A 55 -11.128 2.162 -2.154 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.864 -0.221 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.418 -0.510 -2.631 1.00 0.00 H new ATOM 905 N TYR A 56 -10.353 0.479 -0.970 1.00 0.00 N ATOM 906 CA TYR A 56 -9.061 1.174 -0.721 1.00 0.00 C ATOM 907 C TYR A 56 -7.897 0.308 -1.210 1.00 0.00 C ATOM 908 O TYR A 56 -7.561 -0.696 -0.612 1.00 0.00 O ATOM 909 CB TYR A 56 -9.012 1.362 0.802 1.00 0.00 C ATOM 910 CG TYR A 56 -7.581 1.526 1.271 1.00 0.00 C ATOM 911 CD1 TYR A 56 -6.639 2.164 0.454 1.00 0.00 C ATOM 912 CD2 TYR A 56 -7.202 1.040 2.527 1.00 0.00 C ATOM 913 CE1 TYR A 56 -5.319 2.314 0.893 1.00 0.00 C ATOM 914 CE2 TYR A 56 -5.880 1.191 2.967 1.00 0.00 C ATOM 915 CZ TYR A 56 -4.939 1.829 2.150 1.00 0.00 C ATOM 916 OH TYR A 56 -3.638 1.978 2.583 1.00 0.00 O ATOM 0 H TYR A 56 -10.433 -0.447 -0.550 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.982 2.125 -1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.596 2.238 1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -9.466 0.503 1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.932 2.540 -0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.928 0.548 3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.593 2.804 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.587 0.815 3.936 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.544 1.587 3.477 1.00 0.00 H new ATOM 926 N GLU A 57 -7.271 0.699 -2.284 1.00 0.00 N ATOM 927 CA GLU A 57 -6.118 -0.087 -2.804 1.00 0.00 C ATOM 928 C GLU A 57 -4.853 0.760 -2.693 1.00 0.00 C ATOM 929 O GLU A 57 -4.924 1.959 -2.509 1.00 0.00 O ATOM 930 CB GLU A 57 -6.451 -0.376 -4.268 1.00 0.00 C ATOM 931 CG GLU A 57 -7.904 -0.842 -4.379 1.00 0.00 C ATOM 932 CD GLU A 57 -8.823 0.375 -4.495 1.00 0.00 C ATOM 933 OE1 GLU A 57 -8.753 1.051 -5.509 1.00 0.00 O ATOM 934 OE2 GLU A 57 -9.580 0.611 -3.569 1.00 0.00 O ATOM 0 H GLU A 57 -7.508 1.530 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.949 -1.011 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.298 0.520 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.782 -1.142 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.025 -1.486 -5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.175 -1.434 -3.505 1.00 0.00 H new ATOM 941 N TYR A 58 -3.696 0.170 -2.784 1.00 0.00 N ATOM 942 CA TYR A 58 -2.464 1.010 -2.660 1.00 0.00 C ATOM 943 C TYR A 58 -1.276 0.445 -3.443 1.00 0.00 C ATOM 944 O TYR A 58 -1.239 -0.710 -3.820 1.00 0.00 O ATOM 945 CB TYR A 58 -2.175 1.062 -1.148 1.00 0.00 C ATOM 946 CG TYR A 58 -0.967 0.219 -0.764 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.866 -1.118 -1.173 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.037 0.775 0.038 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.230 -1.889 -0.776 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.135 0.004 0.426 1.00 0.00 C ATOM 951 CZ TYR A 58 1.230 -1.329 0.022 1.00 0.00 C ATOM 952 OH TYR A 58 2.312 -2.094 0.411 1.00 0.00 O ATOM 0 H TYR A 58 -3.546 -0.828 -2.934 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.619 2.000 -3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.005 2.096 -0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.050 0.711 -0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.635 -1.552 -1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.038 1.804 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.304 -2.921 -1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.911 0.439 1.039 1.00 0.00 H new ATOM 0 HH TYR A 58 2.017 -2.777 1.049 1.00 0.00 H new ATOM 962 N GLN A 59 -0.291 1.276 -3.656 1.00 0.00 N ATOM 963 CA GLN A 59 0.936 0.849 -4.377 1.00 0.00 C ATOM 964 C GLN A 59 2.154 1.223 -3.529 1.00 0.00 C ATOM 965 O GLN A 59 2.356 2.372 -3.191 1.00 0.00 O ATOM 966 CB GLN A 59 0.924 1.635 -5.689 1.00 0.00 C ATOM 967 CG GLN A 59 -0.317 1.258 -6.500 1.00 0.00 C ATOM 968 CD GLN A 59 -0.316 2.027 -7.822 1.00 0.00 C ATOM 969 OE1 GLN A 59 -0.746 1.515 -8.837 1.00 0.00 O ATOM 970 NE2 GLN A 59 0.149 3.246 -7.853 1.00 0.00 N ATOM 0 H GLN A 59 -0.288 2.250 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 59 0.975 -0.224 -4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.926 2.705 -5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.825 1.419 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.327 0.185 -6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.219 1.489 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.510 3.676 -7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.151 3.769 -8.729 1.00 0.00 H new ATOM 979 N LEU A 60 2.961 0.267 -3.173 1.00 0.00 N ATOM 980 CA LEU A 60 4.154 0.571 -2.338 1.00 0.00 C ATOM 981 C LEU A 60 5.417 0.249 -3.126 1.00 0.00 C ATOM 982 O LEU A 60 6.130 -0.685 -2.822 1.00 0.00 O ATOM 983 CB LEU A 60 4.012 -0.344 -1.116 1.00 0.00 C ATOM 984 CG LEU A 60 5.334 -0.414 -0.346 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.105 0.052 1.094 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.841 -1.858 -0.327 1.00 0.00 C ATOM 0 H LEU A 60 2.846 -0.715 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 60 4.222 1.619 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.223 0.030 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.716 -1.343 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 60 6.070 0.227 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.044 0.004 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.739 1.079 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.369 -0.594 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.782 -1.906 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.104 -2.496 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.999 -2.202 -1.349 1.00 0.00 H new ATOM 998 N TYR A 61 5.699 1.020 -4.139 1.00 0.00 N ATOM 999 CA TYR A 61 6.911 0.759 -4.951 1.00 0.00 C ATOM 1000 C TYR A 61 8.150 1.112 -4.134 1.00 0.00 C ATOM 1001 O TYR A 61 8.416 2.263 -3.860 1.00 0.00 O ATOM 1002 CB TYR A 61 6.744 1.665 -6.170 1.00 0.00 C ATOM 1003 CG TYR A 61 8.051 1.792 -6.920 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.054 0.827 -6.763 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.258 2.879 -7.777 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.261 0.949 -7.462 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.464 3.002 -8.477 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.465 2.037 -8.320 1.00 0.00 C ATOM 1009 OH TYR A 61 11.654 2.159 -9.010 1.00 0.00 O ATOM 0 H TYR A 61 5.140 1.819 -4.437 1.00 0.00 H new ATOM 0 HA TYR A 61 7.031 -0.283 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.978 1.259 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.402 2.651 -5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.896 -0.012 -6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.486 3.624 -7.898 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.034 0.205 -7.340 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.622 3.841 -9.138 1.00 0.00 H new ATOM 0 HH TYR A 61 12.362 2.440 -8.394 1.00 0.00 H new ATOM 1019 N VAL A 62 8.896 0.122 -3.725 1.00 0.00 N ATOM 1020 CA VAL A 62 10.111 0.383 -2.905 1.00 0.00 C ATOM 1021 C VAL A 62 11.025 -0.833 -2.950 1.00 0.00 C ATOM 1022 O VAL A 62 10.872 -1.710 -3.777 1.00 0.00 O ATOM 1023 CB VAL A 62 9.600 0.580 -1.476 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.795 1.873 -1.374 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.707 -0.600 -1.092 1.00 0.00 C ATOM 0 H VAL A 62 8.714 -0.861 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 62 10.671 1.246 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 62 10.453 0.639 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.438 2.000 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.428 2.718 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.943 1.826 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.341 -0.463 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.861 -0.655 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.281 -1.525 -1.150 1.00 0.00 H new ATOM 1035 N TYR A 63 11.957 -0.905 -2.051 1.00 0.00 N ATOM 1036 CA TYR A 63 12.862 -2.082 -2.025 1.00 0.00 C ATOM 1037 C TYR A 63 13.029 -2.576 -0.593 1.00 0.00 C ATOM 1038 O TYR A 63 13.169 -1.800 0.333 1.00 0.00 O ATOM 1039 CB TYR A 63 14.197 -1.595 -2.578 1.00 0.00 C ATOM 1040 CG TYR A 63 15.036 -2.793 -2.953 1.00 0.00 C ATOM 1041 CD1 TYR A 63 15.417 -3.721 -1.974 1.00 0.00 C ATOM 1042 CD2 TYR A 63 15.431 -2.976 -4.281 1.00 0.00 C ATOM 1043 CE1 TYR A 63 16.194 -4.831 -2.328 1.00 0.00 C ATOM 1044 CE2 TYR A 63 16.207 -4.086 -4.636 1.00 0.00 C ATOM 1045 CZ TYR A 63 16.590 -5.013 -3.658 1.00 0.00 C ATOM 1046 OH TYR A 63 17.355 -6.107 -4.007 1.00 0.00 O ATOM 0 H TYR A 63 12.133 -0.202 -1.333 1.00 0.00 H new ATOM 0 HA TYR A 63 12.467 -2.910 -2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.035 -0.960 -3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.715 -0.990 -1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 63 15.112 -3.580 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.137 -2.260 -5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 63 16.488 -5.547 -1.574 1.00 0.00 H new ATOM 0 HE2 TYR A 63 16.510 -4.227 -5.663 1.00 0.00 H new ATOM 0 HH TYR A 63 17.541 -6.082 -4.969 1.00 0.00 H new ATOM 1056 N ALA A 64 13.009 -3.859 -0.403 1.00 0.00 N ATOM 1057 CA ALA A 64 13.165 -4.408 0.967 1.00 0.00 C ATOM 1058 C ALA A 64 14.144 -5.584 0.954 1.00 0.00 C ATOM 1059 O ALA A 64 15.182 -5.528 0.326 1.00 0.00 O ATOM 1060 CB ALA A 64 11.765 -4.872 1.347 1.00 0.00 C ATOM 0 H ALA A 64 12.891 -4.555 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 64 13.563 -3.680 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.782 -5.295 2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.081 -4.023 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.428 -5.630 0.639 1.00 0.00 H new ATOM 1066 N SER A 65 13.824 -6.649 1.639 1.00 0.00 N ATOM 1067 CA SER A 65 14.738 -7.827 1.656 1.00 0.00 C ATOM 1068 C SER A 65 14.502 -8.685 0.409 1.00 0.00 C ATOM 1069 O SER A 65 15.423 -9.224 -0.170 1.00 0.00 O ATOM 1070 CB SER A 65 14.364 -8.600 2.919 1.00 0.00 C ATOM 1071 OG SER A 65 15.546 -8.910 3.646 1.00 0.00 O ATOM 0 H SER A 65 12.970 -6.754 2.187 1.00 0.00 H new ATOM 0 HA SER A 65 15.790 -7.540 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.689 -8.007 3.536 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.834 -9.516 2.656 1.00 0.00 H new ATOM 0 HG SER A 65 15.724 -8.201 4.299 1.00 0.00 H new ATOM 1077 N ASP A 66 13.271 -8.808 -0.009 1.00 0.00 N ATOM 1078 CA ASP A 66 12.968 -9.626 -1.222 1.00 0.00 C ATOM 1079 C ASP A 66 11.928 -8.909 -2.090 1.00 0.00 C ATOM 1080 O ASP A 66 11.431 -9.450 -3.058 1.00 0.00 O ATOM 1081 CB ASP A 66 12.405 -10.941 -0.683 1.00 0.00 C ATOM 1082 CG ASP A 66 13.553 -11.917 -0.418 1.00 0.00 C ATOM 1083 OD1 ASP A 66 14.693 -11.526 -0.610 1.00 0.00 O ATOM 1084 OD2 ASP A 66 13.273 -13.039 -0.028 1.00 0.00 O ATOM 0 H ASP A 66 12.461 -8.378 0.436 1.00 0.00 H new ATOM 0 HA ASP A 66 13.848 -9.788 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.847 -10.761 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.706 -11.371 -1.401 1.00 0.00 H new ATOM 1089 N LYS A 67 11.598 -7.695 -1.745 1.00 0.00 N ATOM 1090 CA LYS A 67 10.593 -6.929 -2.539 1.00 0.00 C ATOM 1091 C LYS A 67 11.302 -5.860 -3.378 1.00 0.00 C ATOM 1092 O LYS A 67 11.556 -4.761 -2.932 1.00 0.00 O ATOM 1093 CB LYS A 67 9.671 -6.311 -1.481 1.00 0.00 C ATOM 1094 CG LYS A 67 9.159 -4.935 -1.924 1.00 0.00 C ATOM 1095 CD LYS A 67 9.955 -3.846 -1.200 1.00 0.00 C ATOM 1096 CE LYS A 67 9.176 -3.351 0.021 1.00 0.00 C ATOM 1097 NZ LYS A 67 8.714 -4.583 0.722 1.00 0.00 N ATOM 0 H LYS A 67 11.983 -7.197 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 67 10.034 -7.543 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.826 -6.975 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.209 -6.215 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.266 -4.824 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.097 -4.838 -1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.923 -4.238 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.150 -3.015 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.807 -2.743 0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.332 -2.729 -0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.292 -4.324 1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.004 -5.069 0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.524 -5.216 0.881 1.00 0.00 H new ATOM 1111 N LEU A 68 11.597 -6.177 -4.600 1.00 0.00 N ATOM 1112 CA LEU A 68 12.260 -5.176 -5.496 1.00 0.00 C ATOM 1113 C LEU A 68 11.217 -4.582 -6.419 1.00 0.00 C ATOM 1114 O LEU A 68 11.266 -4.776 -7.613 1.00 0.00 O ATOM 1115 CB LEU A 68 13.310 -5.919 -6.337 1.00 0.00 C ATOM 1116 CG LEU A 68 12.944 -7.397 -6.511 1.00 0.00 C ATOM 1117 CD1 LEU A 68 13.665 -7.958 -7.739 1.00 0.00 C ATOM 1118 CD2 LEU A 68 13.374 -8.179 -5.268 1.00 0.00 C ATOM 0 H LEU A 68 11.411 -7.085 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 68 12.728 -4.383 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.395 -5.446 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.286 -5.838 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 68 11.866 -7.491 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.406 -9.009 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.361 -7.401 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.742 -7.864 -7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.114 -9.230 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 68 14.452 -8.085 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.863 -7.779 -4.392 1.00 0.00 H new ATOM 1130 N PHE A 69 10.259 -3.878 -5.893 1.00 0.00 N ATOM 1131 CA PHE A 69 9.211 -3.310 -6.780 1.00 0.00 C ATOM 1132 C PHE A 69 8.095 -2.668 -5.943 1.00 0.00 C ATOM 1133 O PHE A 69 8.353 -1.792 -5.147 1.00 0.00 O ATOM 1134 CB PHE A 69 8.702 -4.508 -7.599 1.00 0.00 C ATOM 1135 CG PHE A 69 8.652 -5.755 -6.741 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.110 -5.710 -5.450 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.162 -6.958 -7.242 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.080 -6.869 -4.663 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.129 -8.117 -6.457 1.00 0.00 C ATOM 1140 CZ PHE A 69 8.589 -8.071 -5.167 1.00 0.00 C ATOM 0 H PHE A 69 10.156 -3.673 -4.899 1.00 0.00 H new ATOM 0 HA PHE A 69 9.586 -2.519 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.709 -4.291 -7.993 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.356 -4.675 -8.455 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.716 -4.783 -5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.582 -6.993 -8.236 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.664 -6.835 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.520 -9.045 -6.847 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.565 -8.964 -4.560 1.00 0.00 H new ATOM 1150 N ARG A 70 6.860 -3.074 -6.109 1.00 0.00 N ATOM 1151 CA ARG A 70 5.774 -2.439 -5.310 1.00 0.00 C ATOM 1152 C ARG A 70 4.883 -3.472 -4.641 1.00 0.00 C ATOM 1153 O ARG A 70 4.251 -4.282 -5.292 1.00 0.00 O ATOM 1154 CB ARG A 70 4.943 -1.648 -6.318 1.00 0.00 C ATOM 1155 CG ARG A 70 3.678 -1.091 -5.635 1.00 0.00 C ATOM 1156 CD ARG A 70 2.639 -0.745 -6.705 1.00 0.00 C ATOM 1157 NE ARG A 70 2.517 -1.976 -7.536 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.022 -1.903 -8.741 1.00 0.00 C ATOM 1159 NH1 ARG A 70 0.832 -1.402 -8.927 1.00 0.00 N ATOM 1160 NH2 ARG A 70 2.717 -2.331 -9.760 1.00 0.00 N ATOM 0 H ARG A 70 6.563 -3.806 -6.754 1.00 0.00 H new ATOM 0 HA ARG A 70 6.196 -1.822 -4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.535 -0.830 -6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.663 -2.289 -7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.271 -1.826 -4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.926 -0.204 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.683 -0.476 -6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.959 0.106 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 70 2.820 -2.875 -7.163 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.289 -1.068 -8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.444 -1.345 -9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.647 -2.723 -9.614 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.330 -2.274 -10.702 1.00 0.00 H new ATOM 1174 N ALA A 71 4.774 -3.407 -3.351 1.00 0.00 N ATOM 1175 CA ALA A 71 3.862 -4.336 -2.651 1.00 0.00 C ATOM 1176 C ALA A 71 2.466 -3.728 -2.739 1.00 0.00 C ATOM 1177 O ALA A 71 2.183 -2.736 -2.103 1.00 0.00 O ATOM 1178 CB ALA A 71 4.354 -4.386 -1.204 1.00 0.00 C ATOM 0 H ALA A 71 5.276 -2.752 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 71 3.838 -5.342 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.720 -5.059 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.382 -4.748 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.311 -3.387 -0.770 1.00 0.00 H new ATOM 1184 N ASP A 72 1.608 -4.272 -3.554 1.00 0.00 N ATOM 1185 CA ASP A 72 0.248 -3.678 -3.701 1.00 0.00 C ATOM 1186 C ASP A 72 -0.716 -4.274 -2.679 1.00 0.00 C ATOM 1187 O ASP A 72 -0.399 -5.225 -2.000 1.00 0.00 O ATOM 1188 CB ASP A 72 -0.190 -4.040 -5.120 1.00 0.00 C ATOM 1189 CG ASP A 72 -1.492 -3.312 -5.455 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -1.422 -2.151 -5.824 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -2.539 -3.926 -5.333 1.00 0.00 O ATOM 0 H ASP A 72 1.787 -5.099 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 72 0.255 -2.601 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.587 -3.764 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.332 -5.117 -5.204 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.893 -3.719 -2.571 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.890 -4.256 -1.602 1.00 0.00 C ATOM 1198 C ILE A 73 -4.259 -3.606 -1.837 1.00 0.00 C ATOM 1199 O ILE A 73 -4.419 -2.406 -1.732 1.00 0.00 O ATOM 1200 CB ILE A 73 -2.330 -3.929 -0.204 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.701 -5.060 0.757 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.907 -2.611 0.331 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -4.225 -5.174 0.847 1.00 0.00 C ATOM 0 H ILE A 73 -2.207 -2.915 -3.114 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.040 -5.330 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.248 -3.827 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.275 -6.001 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.281 -4.865 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.493 -2.407 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.646 -1.798 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.992 -2.691 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.490 -5.980 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.639 -4.235 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.633 -5.389 -0.141 1.00 0.00 H new ATOM 1215 N SER A 74 -5.247 -4.388 -2.155 1.00 0.00 N ATOM 1216 CA SER A 74 -6.598 -3.810 -2.389 1.00 0.00 C ATOM 1217 C SER A 74 -7.534 -4.247 -1.256 1.00 0.00 C ATOM 1218 O SER A 74 -7.293 -5.245 -0.605 1.00 0.00 O ATOM 1219 CB SER A 74 -7.057 -4.398 -3.723 1.00 0.00 C ATOM 1220 OG SER A 74 -7.292 -3.342 -4.645 1.00 0.00 O ATOM 0 H SER A 74 -5.180 -5.400 -2.263 1.00 0.00 H new ATOM 0 HA SER A 74 -6.595 -2.720 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.299 -5.076 -4.115 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.966 -4.983 -3.582 1.00 0.00 H new ATOM 0 HG SER A 74 -7.585 -3.715 -5.502 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.592 -3.524 -0.995 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.500 -3.946 0.117 1.00 0.00 C ATOM 1228 C GLU A 75 -10.959 -3.563 -0.152 1.00 0.00 C ATOM 1229 O GLU A 75 -11.321 -2.403 -0.149 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.975 -3.212 1.351 1.00 0.00 C ATOM 1231 CG GLU A 75 -8.821 -4.201 2.508 1.00 0.00 C ATOM 1232 CD GLU A 75 -10.145 -4.314 3.264 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -11.109 -4.766 2.668 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -10.174 -3.945 4.427 1.00 0.00 O ATOM 0 H GLU A 75 -8.865 -2.676 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.498 -5.029 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.016 -2.745 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.661 -2.413 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.523 -5.178 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.032 -3.868 3.183 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.801 -4.541 -0.369 1.00 0.00 N ATOM 1242 CA ASP A 76 -13.247 -4.258 -0.624 1.00 0.00 C ATOM 1243 C ASP A 76 -13.818 -3.287 0.425 1.00 0.00 C ATOM 1244 O ASP A 76 -13.384 -3.267 1.560 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.927 -5.633 -0.507 1.00 0.00 C ATOM 1246 CG ASP A 76 -14.315 -5.919 0.949 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -13.467 -5.753 1.811 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -15.451 -6.300 1.175 1.00 0.00 O ATOM 0 H ASP A 76 -11.548 -5.529 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.408 -3.786 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.815 -5.661 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.254 -6.410 -0.869 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.505 -8.180 -0.509 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.192 -8.070 0.189 1.00 0.00 C ATOM 1367 C LYS A 83 -7.148 -8.861 -0.603 1.00 0.00 C ATOM 1368 O LYS A 83 -7.289 -10.049 -0.812 1.00 0.00 O ATOM 1369 CB LYS A 83 -8.416 -8.696 1.566 1.00 0.00 C ATOM 1370 CG LYS A 83 -8.690 -7.594 2.591 1.00 0.00 C ATOM 1371 CD LYS A 83 -9.117 -8.225 3.917 1.00 0.00 C ATOM 1372 CE LYS A 83 -10.590 -8.632 3.838 1.00 0.00 C ATOM 1373 NZ LYS A 83 -11.335 -7.353 3.680 1.00 0.00 N ATOM 0 HA LYS A 83 -7.838 -7.043 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.256 -9.390 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.539 -9.272 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.796 -6.987 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.471 -6.928 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.499 -9.097 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.967 -7.518 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.770 -9.300 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.902 -9.162 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.320 -7.485 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.888 -6.616 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.318 -7.063 2.682 1.00 0.00 H new ATOM 1387 N LEU A 84 -6.113 -8.217 -1.064 1.00 0.00 N ATOM 1388 CA LEU A 84 -5.084 -8.942 -1.858 1.00 0.00 C ATOM 1389 C LEU A 84 -3.888 -8.031 -2.109 1.00 0.00 C ATOM 1390 O LEU A 84 -4.039 -6.904 -2.534 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.778 -9.286 -3.177 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.738 -9.759 -4.194 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -5.267 -10.991 -4.930 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -4.469 -8.642 -5.204 1.00 0.00 C ATOM 0 H LEU A 84 -5.936 -7.222 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.712 -9.830 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.524 -10.064 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.306 -8.413 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.814 -10.013 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.526 -11.328 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.461 -11.788 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.191 -10.736 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.728 -8.978 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.394 -8.389 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.093 -7.762 -4.682 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.702 -8.500 -1.855 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.510 -7.642 -2.086 1.00 0.00 C ATOM 1408 C LEU A 85 -0.614 -8.267 -3.167 1.00 0.00 C ATOM 1409 O LEU A 85 -0.795 -9.403 -3.555 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.825 -7.560 -0.707 1.00 0.00 C ATOM 1411 CG LEU A 85 0.548 -8.241 -0.717 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.362 -7.744 0.476 1.00 0.00 C ATOM 1413 CD2 LEU A 85 0.354 -9.758 -0.619 1.00 0.00 C ATOM 0 H LEU A 85 -2.506 -9.436 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.751 -6.646 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.711 -6.515 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.460 -8.031 0.044 1.00 0.00 H new ATOM 0 HG LEU A 85 1.078 -8.003 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.340 -8.225 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.489 -6.664 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.839 -7.988 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.326 -10.250 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.169 -9.999 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.234 -10.105 -1.468 1.00 0.00 H new ATOM 1425 N ARG A 86 0.347 -7.529 -3.654 1.00 0.00 N ATOM 1426 CA ARG A 86 1.247 -8.079 -4.709 1.00 0.00 C ATOM 1427 C ARG A 86 2.704 -7.702 -4.421 1.00 0.00 C ATOM 1428 O ARG A 86 3.023 -7.171 -3.378 1.00 0.00 O ATOM 1429 CB ARG A 86 0.774 -7.431 -6.011 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.754 -7.468 -6.077 1.00 0.00 C ATOM 1431 CD ARG A 86 -1.229 -6.767 -7.353 1.00 0.00 C ATOM 1432 NE ARG A 86 -2.347 -7.610 -7.859 1.00 0.00 N ATOM 1433 CZ ARG A 86 -2.983 -7.265 -8.946 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -2.340 -7.175 -10.078 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -4.263 -7.012 -8.900 1.00 0.00 N ATOM 0 H ARG A 86 0.548 -6.571 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 86 1.207 -9.167 -4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.126 -6.401 -6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.198 -7.958 -6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.104 -8.500 -6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.178 -6.978 -5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.563 -5.751 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.426 -6.694 -8.086 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.616 -8.456 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.340 -7.374 -10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.837 -6.906 -10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.766 -7.084 -8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.760 -6.742 -9.749 1.00 0.00 H new ATOM 1449 N PHE A 87 3.586 -7.980 -5.345 1.00 0.00 N ATOM 1450 CA PHE A 87 5.031 -7.650 -5.149 1.00 0.00 C ATOM 1451 C PHE A 87 5.726 -7.567 -6.512 1.00 0.00 C ATOM 1452 O PHE A 87 6.594 -8.359 -6.815 1.00 0.00 O ATOM 1453 CB PHE A 87 5.605 -8.818 -4.337 1.00 0.00 C ATOM 1454 CG PHE A 87 4.771 -9.045 -3.098 1.00 0.00 C ATOM 1455 CD1 PHE A 87 4.918 -8.204 -1.987 1.00 0.00 C ATOM 1456 CD2 PHE A 87 3.845 -10.095 -3.064 1.00 0.00 C ATOM 1457 CE1 PHE A 87 4.139 -8.417 -0.845 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.067 -10.304 -1.920 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.216 -9.463 -0.814 1.00 0.00 C ATOM 0 H PHE A 87 3.366 -8.426 -6.236 1.00 0.00 H new ATOM 0 HA PHE A 87 5.174 -6.695 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.620 -9.722 -4.946 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.637 -8.605 -4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.631 -7.393 -2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.731 -10.743 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.252 -7.771 0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.353 -11.114 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.614 -9.623 0.068 1.00 0.00 H new ATOM 1469 N ASN A 88 5.362 -6.619 -7.345 1.00 0.00 N ATOM 1470 CA ASN A 88 6.036 -6.531 -8.677 1.00 0.00 C ATOM 1471 C ASN A 88 5.994 -5.116 -9.237 1.00 0.00 C ATOM 1472 O ASN A 88 5.823 -4.149 -8.522 1.00 0.00 O ATOM 1473 CB ASN A 88 5.293 -7.459 -9.627 1.00 0.00 C ATOM 1474 CG ASN A 88 4.706 -8.656 -8.873 1.00 0.00 C ATOM 1475 OD1 ASN A 88 3.599 -8.594 -8.377 1.00 0.00 O ATOM 1476 ND2 ASN A 88 5.408 -9.751 -8.767 1.00 0.00 N ATOM 0 H ASN A 88 4.644 -5.918 -7.165 1.00 0.00 H new ATOM 0 HA ASN A 88 7.083 -6.814 -8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 88 4.494 -6.911 -10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.972 -7.811 -10.404 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.027 -10.555 -8.268 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.338 -9.803 -9.184 1.00 0.00 H new ATOM 1483 N GLY A 89 6.193 -4.989 -10.522 1.00 0.00 N ATOM 1484 CA GLY A 89 6.232 -3.638 -11.128 1.00 0.00 C ATOM 1485 C GLY A 89 7.513 -3.004 -10.607 1.00 0.00 C ATOM 1486 O GLY A 89 7.500 -1.929 -10.042 1.00 0.00 O ATOM 0 H GLY A 89 6.329 -5.763 -11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.235 -3.695 -12.217 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.358 -3.053 -10.842 1.00 0.00 H new ATOM 1490 N PRO A 90 8.580 -3.750 -10.762 1.00 0.00 N ATOM 1491 CA PRO A 90 9.894 -3.319 -10.243 1.00 0.00 C ATOM 1492 C PRO A 90 10.434 -2.104 -10.999 1.00 0.00 C ATOM 1493 O PRO A 90 9.769 -1.526 -11.835 1.00 0.00 O ATOM 1494 CB PRO A 90 10.788 -4.541 -10.452 1.00 0.00 C ATOM 1495 CG PRO A 90 10.144 -5.290 -11.571 1.00 0.00 C ATOM 1496 CD PRO A 90 8.663 -5.050 -11.444 1.00 0.00 C ATOM 0 HA PRO A 90 9.843 -3.004 -9.201 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.807 -4.248 -10.705 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.846 -5.149 -9.549 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.513 -4.941 -12.535 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.372 -6.354 -11.509 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.176 -5.023 -12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.177 -5.837 -10.867 1.00 0.00 H new ATOM 1504 N VAL A 91 11.645 -1.719 -10.701 1.00 0.00 N ATOM 1505 CA VAL A 91 12.256 -0.550 -11.377 1.00 0.00 C ATOM 1506 C VAL A 91 12.556 -0.878 -12.842 1.00 0.00 C ATOM 1507 O VAL A 91 13.091 -0.020 -13.524 1.00 0.00 O ATOM 1508 CB VAL A 91 13.548 -0.317 -10.599 1.00 0.00 C ATOM 1509 CG1 VAL A 91 13.214 0.126 -9.173 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.354 -1.617 -10.546 1.00 0.00 C ATOM 0 H VAL A 91 12.241 -2.173 -10.009 1.00 0.00 H new ATOM 0 HA VAL A 91 11.607 0.326 -11.386 1.00 0.00 H new ATOM 0 HB VAL A 91 14.133 0.457 -11.095 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.137 0.292 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.638 1.051 -9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.628 -0.649 -8.679 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.277 -1.451 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.766 -2.390 -10.050 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.594 -1.938 -11.560 1.00 0.00 H new