USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 592 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 18 SER OG : rot 180:sc= -0.247 USER MOD Single : A 36 LYS NZ :NH3+ -147:sc= -2.5! (180deg=-4.87!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0975 K(o=-0.097,f=-3.2!) USER MOD Single : A 44 CYS SG : rot -66:sc= 0.0923 USER MOD Single : A 49 ASN : amide:sc= -1.55 K(o=-1.6,f=-2.8!) USER MOD Single : A 50 CYS SG : rot 30:sc= -1.11! USER MOD Single : A 51 MET CE :methyl -166:sc= -1.31 (180deg=-1.71) USER MOD Single : A 53 THR OG1 : rot 88:sc= 0.321 USER MOD Single : A 54 MET CE :methyl -167:sc= -0.0522 (180deg=-0.463) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -49:sc= -2.94! USER MOD Single : A 61 MET CE :methyl -162:sc= -0.136 (180deg=-1.02) USER MOD Single : A 67 SER OG : rot -142:sc= -0.783 USER MOD Single : A 68 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.445 K(o=-0.44,f=-1.7) USER MOD Single : A 71 ASN : amide:sc= -0.655 K(o=-0.66,f=-1.2) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.05! K(o=-3!,f=-1.2) USER MOD Single : A 87 MET CE :methyl -148:sc= -0.0586 (180deg=-0.496) USER MOD Single : A 90 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.681) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -17.836 -8.078 -21.216 1.00 0.00 N ATOM 2 CA ASP A 16 -16.468 -7.954 -21.775 1.00 0.00 C ATOM 3 C ASP A 16 -16.271 -6.591 -22.428 1.00 0.00 C ATOM 4 O ASP A 16 -15.360 -6.400 -23.209 1.00 0.00 O ATOM 5 CB ASP A 16 -16.281 -9.044 -22.841 1.00 0.00 C ATOM 6 CG ASP A 16 -16.758 -10.386 -22.280 1.00 0.00 C ATOM 7 OD1 ASP A 16 -16.303 -10.711 -21.195 1.00 0.00 O ATOM 8 OD2 ASP A 16 -17.548 -11.009 -22.969 1.00 0.00 O ATOM 0 HA ASP A 16 -15.742 -8.063 -20.969 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -16.844 -8.791 -23.739 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.232 -9.110 -23.131 1.00 0.00 H new ATOM 13 N ARG A 17 -17.130 -5.665 -22.096 1.00 0.00 N ATOM 14 CA ARG A 17 -17.006 -4.311 -22.688 1.00 0.00 C ATOM 15 C ARG A 17 -16.087 -3.440 -21.845 1.00 0.00 C ATOM 16 O ARG A 17 -15.664 -2.385 -22.272 1.00 0.00 O ATOM 17 CB ARG A 17 -18.399 -3.666 -22.725 1.00 0.00 C ATOM 18 CG ARG A 17 -18.973 -3.629 -21.308 1.00 0.00 C ATOM 19 CD ARG A 17 -20.352 -2.968 -21.344 1.00 0.00 C ATOM 20 NE ARG A 17 -21.049 -3.230 -20.055 1.00 0.00 N ATOM 21 CZ ARG A 17 -21.941 -2.381 -19.625 1.00 0.00 C ATOM 22 NH1 ARG A 17 -21.716 -1.105 -19.770 1.00 0.00 N ATOM 23 NH2 ARG A 17 -23.027 -2.837 -19.064 1.00 0.00 N ATOM 0 H ARG A 17 -17.905 -5.790 -21.445 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.589 -4.397 -23.691 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.335 -2.656 -23.131 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -19.058 -4.233 -23.383 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -19.051 -4.640 -20.907 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.307 -3.074 -20.647 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -20.251 -1.895 -21.506 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -20.937 -3.362 -22.175 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.831 -4.066 -19.513 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -20.854 -0.786 -20.213 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -22.402 -0.426 -19.440 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -23.168 -3.843 -18.968 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -23.735 -2.188 -18.722 1.00 0.00 H new ATOM 37 N SER A 18 -15.795 -3.899 -20.659 1.00 0.00 N ATOM 38 CA SER A 18 -14.905 -3.115 -19.770 1.00 0.00 C ATOM 39 C SER A 18 -14.046 -4.040 -18.922 1.00 0.00 C ATOM 40 O SER A 18 -13.907 -5.209 -19.221 1.00 0.00 O ATOM 41 CB SER A 18 -15.779 -2.256 -18.841 1.00 0.00 C ATOM 42 OG SER A 18 -16.577 -1.487 -19.728 1.00 0.00 O ATOM 0 H SER A 18 -16.135 -4.780 -20.272 1.00 0.00 H new ATOM 0 HA SER A 18 -14.252 -2.489 -20.378 1.00 0.00 H new ATOM 0 HB2 SER A 18 -16.393 -2.875 -18.187 1.00 0.00 H new ATOM 0 HB3 SER A 18 -15.171 -1.619 -18.198 1.00 0.00 H new ATOM 0 HG SER A 18 -17.172 -0.905 -19.211 1.00 0.00 H new ATOM 48 N LEU A 19 -13.482 -3.503 -17.878 1.00 0.00 N ATOM 49 CA LEU A 19 -12.629 -4.342 -17.003 1.00 0.00 C ATOM 50 C LEU A 19 -12.567 -3.769 -15.597 1.00 0.00 C ATOM 51 O LEU A 19 -11.502 -3.614 -15.034 1.00 0.00 O ATOM 52 CB LEU A 19 -11.208 -4.364 -17.588 1.00 0.00 C ATOM 53 CG LEU A 19 -10.702 -2.925 -17.738 1.00 0.00 C ATOM 54 CD1 LEU A 19 -9.337 -2.794 -17.056 1.00 0.00 C ATOM 55 CD2 LEU A 19 -10.554 -2.595 -19.226 1.00 0.00 C ATOM 0 H LEU A 19 -13.575 -2.527 -17.597 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.051 -5.346 -16.954 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.542 -4.930 -16.936 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.208 -4.865 -18.556 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.411 -2.238 -17.276 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.974 -1.771 -17.161 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.434 -3.038 -15.998 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.630 -3.479 -17.523 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.194 -1.572 -19.338 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.841 -3.282 -19.682 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.521 -2.695 -19.719 1.00 0.00 H new ATOM 67 N ARG A 20 -13.712 -3.464 -15.049 1.00 0.00 N ATOM 68 CA ARG A 20 -13.726 -2.901 -13.681 1.00 0.00 C ATOM 69 C ARG A 20 -12.715 -1.742 -13.568 1.00 0.00 C ATOM 70 O ARG A 20 -11.601 -1.917 -13.114 1.00 0.00 O ATOM 71 CB ARG A 20 -13.339 -4.032 -12.698 1.00 0.00 C ATOM 72 CG ARG A 20 -14.073 -3.822 -11.372 1.00 0.00 C ATOM 73 CD ARG A 20 -15.261 -4.783 -11.301 1.00 0.00 C ATOM 74 NE ARG A 20 -16.138 -4.385 -10.166 1.00 0.00 N ATOM 75 CZ ARG A 20 -17.182 -5.112 -9.877 1.00 0.00 C ATOM 76 NH1 ARG A 20 -17.601 -5.987 -10.750 1.00 0.00 N ATOM 77 NH2 ARG A 20 -17.770 -4.941 -8.726 1.00 0.00 N ATOM 0 H ARG A 20 -14.625 -3.581 -15.488 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.717 -2.511 -13.447 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.599 -5.002 -13.121 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.261 -4.034 -12.534 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.396 -3.998 -10.536 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.418 -2.791 -11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.821 -4.759 -12.236 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.910 -5.806 -11.165 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.925 -3.551 -9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.114 -6.093 -11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.416 -6.565 -10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.413 -4.248 -8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.588 -5.500 -8.483 1.00 0.00 H new ATOM 91 N PRO A 21 -13.136 -0.567 -13.999 1.00 0.00 N ATOM 92 CA PRO A 21 -12.279 0.615 -13.952 1.00 0.00 C ATOM 93 C PRO A 21 -11.873 0.954 -12.525 1.00 0.00 C ATOM 94 O PRO A 21 -10.833 1.539 -12.295 1.00 0.00 O ATOM 95 CB PRO A 21 -13.138 1.753 -14.543 1.00 0.00 C ATOM 96 CG PRO A 21 -14.492 1.123 -14.997 1.00 0.00 C ATOM 97 CD PRO A 21 -14.483 -0.347 -14.543 1.00 0.00 C ATOM 0 HA PRO A 21 -11.353 0.456 -14.504 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.307 2.533 -13.800 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.629 2.220 -15.386 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.333 1.657 -14.555 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.605 1.191 -16.079 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -15.248 -0.532 -13.789 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.687 -1.019 -15.377 1.00 0.00 H new ATOM 105 N GLU A 22 -12.699 0.583 -11.590 1.00 0.00 N ATOM 106 CA GLU A 22 -12.372 0.878 -10.180 1.00 0.00 C ATOM 107 C GLU A 22 -11.020 0.280 -9.820 1.00 0.00 C ATOM 108 O GLU A 22 -10.365 0.725 -8.897 1.00 0.00 O ATOM 109 CB GLU A 22 -13.456 0.252 -9.288 1.00 0.00 C ATOM 110 CG GLU A 22 -13.159 -1.237 -9.104 1.00 0.00 C ATOM 111 CD GLU A 22 -14.369 -1.918 -8.460 1.00 0.00 C ATOM 112 OE1 GLU A 22 -15.283 -2.219 -9.209 1.00 0.00 O ATOM 113 OE2 GLU A 22 -14.311 -2.097 -7.254 1.00 0.00 O ATOM 0 H GLU A 22 -13.580 0.092 -11.744 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.331 1.957 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.481 0.752 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.438 0.386 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.938 -1.697 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.277 -1.369 -8.478 1.00 0.00 H new ATOM 120 N GLU A 23 -10.624 -0.723 -10.558 1.00 0.00 N ATOM 121 CA GLU A 23 -9.318 -1.362 -10.276 1.00 0.00 C ATOM 122 C GLU A 23 -8.185 -0.403 -10.597 1.00 0.00 C ATOM 123 O GLU A 23 -7.420 -0.027 -9.730 1.00 0.00 O ATOM 124 CB GLU A 23 -9.180 -2.608 -11.169 1.00 0.00 C ATOM 125 CG GLU A 23 -7.913 -3.372 -10.775 1.00 0.00 C ATOM 126 CD GLU A 23 -8.304 -4.681 -10.085 1.00 0.00 C ATOM 127 OE1 GLU A 23 -8.667 -5.590 -10.813 1.00 0.00 O ATOM 128 OE2 GLU A 23 -8.216 -4.697 -8.869 1.00 0.00 O ATOM 0 H GLU A 23 -11.148 -1.121 -11.337 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.268 -1.634 -9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.055 -3.249 -11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.131 -2.315 -12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.310 -3.580 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.301 -2.765 -10.108 1.00 0.00 H new ATOM 135 N ILE A 24 -8.097 -0.017 -11.842 1.00 0.00 N ATOM 136 CA ILE A 24 -7.022 0.917 -12.235 1.00 0.00 C ATOM 137 C ILE A 24 -6.948 2.079 -11.259 1.00 0.00 C ATOM 138 O ILE A 24 -5.880 2.582 -10.969 1.00 0.00 O ATOM 139 CB ILE A 24 -7.332 1.463 -13.631 1.00 0.00 C ATOM 140 CG1 ILE A 24 -7.458 0.311 -14.626 1.00 0.00 C ATOM 141 CG2 ILE A 24 -6.171 2.372 -14.068 1.00 0.00 C ATOM 142 CD1 ILE A 24 -6.062 -0.134 -15.076 1.00 0.00 C ATOM 0 H ILE A 24 -8.722 -0.310 -12.593 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.069 0.388 -12.231 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.269 2.020 -13.606 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.986 -0.524 -14.166 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.046 0.624 -15.488 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.375 2.770 -15.062 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.068 3.195 -13.361 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.246 1.795 -14.091 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.153 -0.956 -15.786 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.550 0.702 -15.553 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.489 -0.465 -14.210 1.00 0.00 H new ATOM 154 N GLU A 25 -8.086 2.489 -10.764 1.00 0.00 N ATOM 155 CA GLU A 25 -8.089 3.617 -9.805 1.00 0.00 C ATOM 156 C GLU A 25 -7.287 3.255 -8.568 1.00 0.00 C ATOM 157 O GLU A 25 -6.391 3.975 -8.173 1.00 0.00 O ATOM 158 CB GLU A 25 -9.539 3.904 -9.391 1.00 0.00 C ATOM 159 CG GLU A 25 -9.666 5.378 -9.002 1.00 0.00 C ATOM 160 CD GLU A 25 -11.145 5.726 -8.829 1.00 0.00 C ATOM 161 OE1 GLU A 25 -11.919 5.203 -9.614 1.00 0.00 O ATOM 162 OE2 GLU A 25 -11.417 6.494 -7.922 1.00 0.00 O ATOM 0 H GLU A 25 -9.000 2.093 -10.983 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.643 4.493 -10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.217 3.672 -10.212 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.824 3.268 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.124 5.570 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.219 6.009 -9.770 1.00 0.00 H new ATOM 169 N GLU A 26 -7.622 2.142 -7.972 1.00 0.00 N ATOM 170 CA GLU A 26 -6.884 1.724 -6.760 1.00 0.00 C ATOM 171 C GLU A 26 -5.390 1.763 -7.024 1.00 0.00 C ATOM 172 O GLU A 26 -4.635 2.331 -6.260 1.00 0.00 O ATOM 173 CB GLU A 26 -7.291 0.282 -6.411 1.00 0.00 C ATOM 174 CG GLU A 26 -8.761 0.261 -5.982 1.00 0.00 C ATOM 175 CD GLU A 26 -8.843 0.280 -4.453 1.00 0.00 C ATOM 176 OE1 GLU A 26 -7.977 0.911 -3.872 1.00 0.00 O ATOM 177 OE2 GLU A 26 -9.767 -0.342 -3.953 1.00 0.00 O ATOM 0 H GLU A 26 -8.368 1.514 -8.273 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.121 2.399 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.142 -0.369 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.661 -0.102 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.285 1.122 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.253 -0.630 -6.373 1.00 0.00 H new ATOM 184 N LEU A 27 -4.986 1.158 -8.108 1.00 0.00 N ATOM 185 CA LEU A 27 -3.546 1.151 -8.439 1.00 0.00 C ATOM 186 C LEU A 27 -3.003 2.565 -8.439 1.00 0.00 C ATOM 187 O LEU A 27 -2.040 2.867 -7.764 1.00 0.00 O ATOM 188 CB LEU A 27 -3.381 0.573 -9.847 1.00 0.00 C ATOM 189 CG LEU A 27 -3.314 -0.947 -9.765 1.00 0.00 C ATOM 190 CD1 LEU A 27 -3.690 -1.529 -11.125 1.00 0.00 C ATOM 191 CD2 LEU A 27 -1.888 -1.371 -9.410 1.00 0.00 C ATOM 0 H LEU A 27 -5.592 0.673 -8.770 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.007 0.556 -7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.216 0.878 -10.477 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.474 0.964 -10.309 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.002 -1.310 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.646 -2.617 -11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.701 -1.217 -11.387 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.992 -1.169 -11.881 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.836 -2.458 -9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.201 -1.016 -10.178 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.609 -0.941 -8.448 1.00 0.00 H new ATOM 203 N ARG A 28 -3.636 3.410 -9.204 1.00 0.00 N ATOM 204 CA ARG A 28 -3.177 4.815 -9.269 1.00 0.00 C ATOM 205 C ARG A 28 -2.877 5.338 -7.882 1.00 0.00 C ATOM 206 O ARG A 28 -1.868 5.980 -7.665 1.00 0.00 O ATOM 207 CB ARG A 28 -4.294 5.664 -9.893 1.00 0.00 C ATOM 208 CG ARG A 28 -3.749 7.058 -10.209 1.00 0.00 C ATOM 209 CD ARG A 28 -4.906 7.960 -10.645 1.00 0.00 C ATOM 210 NE ARG A 28 -4.392 9.344 -10.852 1.00 0.00 N ATOM 211 CZ ARG A 28 -5.236 10.316 -11.067 1.00 0.00 C ATOM 212 NH1 ARG A 28 -6.248 10.107 -11.863 1.00 0.00 N ATOM 213 NH2 ARG A 28 -5.040 11.464 -10.477 1.00 0.00 N ATOM 0 H ARG A 28 -4.446 3.186 -9.782 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.269 4.870 -9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.663 5.190 -10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.138 5.737 -9.207 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.255 7.477 -9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.000 6.999 -10.999 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.351 7.582 -11.565 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.690 7.959 -9.888 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.389 9.530 -10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.369 9.196 -12.305 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.918 10.855 -12.043 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.238 11.590 -9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.689 12.235 -10.633 1.00 0.00 H new ATOM 227 N GLU A 29 -3.752 5.061 -6.960 1.00 0.00 N ATOM 228 CA GLU A 29 -3.513 5.543 -5.588 1.00 0.00 C ATOM 229 C GLU A 29 -2.200 4.990 -5.078 1.00 0.00 C ATOM 230 O GLU A 29 -1.416 5.696 -4.476 1.00 0.00 O ATOM 231 CB GLU A 29 -4.658 5.052 -4.685 1.00 0.00 C ATOM 232 CG GLU A 29 -5.430 6.261 -4.152 1.00 0.00 C ATOM 233 CD GLU A 29 -6.255 5.839 -2.936 1.00 0.00 C ATOM 234 OE1 GLU A 29 -5.627 5.481 -1.953 1.00 0.00 O ATOM 235 OE2 GLU A 29 -7.467 5.899 -3.058 1.00 0.00 O ATOM 0 H GLU A 29 -4.610 4.528 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.471 6.632 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.325 4.398 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.259 4.466 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.737 7.057 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.083 6.661 -4.928 1.00 0.00 H new ATOM 242 N ALA A 30 -1.980 3.731 -5.327 1.00 0.00 N ATOM 243 CA ALA A 30 -0.723 3.117 -4.866 1.00 0.00 C ATOM 244 C ALA A 30 0.444 3.718 -5.627 1.00 0.00 C ATOM 245 O ALA A 30 1.333 4.300 -5.040 1.00 0.00 O ATOM 246 CB ALA A 30 -0.780 1.606 -5.144 1.00 0.00 C ATOM 0 H ALA A 30 -2.616 3.110 -5.827 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.593 3.299 -3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.145 1.139 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.623 1.169 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.903 1.437 -6.214 1.00 0.00 H new ATOM 252 N PHE A 31 0.420 3.583 -6.930 1.00 0.00 N ATOM 253 CA PHE A 31 1.528 4.149 -7.723 1.00 0.00 C ATOM 254 C PHE A 31 1.786 5.565 -7.280 1.00 0.00 C ATOM 255 O PHE A 31 2.884 6.066 -7.382 1.00 0.00 O ATOM 256 CB PHE A 31 1.113 4.178 -9.202 1.00 0.00 C ATOM 257 CG PHE A 31 2.267 4.733 -10.041 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.479 6.098 -10.130 1.00 0.00 C ATOM 259 CD2 PHE A 31 3.114 3.877 -10.719 1.00 0.00 C ATOM 260 CE1 PHE A 31 3.522 6.592 -10.886 1.00 0.00 C ATOM 261 CE2 PHE A 31 4.155 4.375 -11.472 1.00 0.00 C ATOM 262 CZ PHE A 31 4.359 5.728 -11.555 1.00 0.00 C ATOM 0 H PHE A 31 -0.311 3.111 -7.462 1.00 0.00 H new ATOM 0 HA PHE A 31 2.423 3.543 -7.585 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.854 3.174 -9.538 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.225 4.797 -9.330 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.825 6.779 -9.605 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.959 2.810 -10.658 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.682 7.658 -10.953 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.812 3.698 -11.998 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.176 6.116 -12.145 1.00 0.00 H new ATOM 272 N ARG A 32 0.761 6.177 -6.767 1.00 0.00 N ATOM 273 CA ARG A 32 0.904 7.580 -6.300 1.00 0.00 C ATOM 274 C ARG A 32 1.339 7.644 -4.848 1.00 0.00 C ATOM 275 O ARG A 32 2.418 8.114 -4.546 1.00 0.00 O ATOM 276 CB ARG A 32 -0.451 8.264 -6.416 1.00 0.00 C ATOM 277 CG ARG A 32 -0.708 8.632 -7.876 1.00 0.00 C ATOM 278 CD ARG A 32 -0.319 10.094 -8.100 1.00 0.00 C ATOM 279 NE ARG A 32 -1.008 10.940 -7.083 1.00 0.00 N ATOM 280 CZ ARG A 32 -1.798 11.901 -7.479 1.00 0.00 C ATOM 281 NH1 ARG A 32 -1.422 12.658 -8.474 1.00 0.00 N ATOM 282 NH2 ARG A 32 -2.938 12.071 -6.866 1.00 0.00 N ATOM 0 H ARG A 32 -0.167 5.769 -6.651 1.00 0.00 H new ATOM 0 HA ARG A 32 1.661 8.070 -6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.237 7.603 -6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.474 9.159 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.130 7.984 -8.534 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.759 8.481 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.761 10.213 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.600 10.409 -9.105 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.863 10.769 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.524 12.494 -8.929 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.026 13.414 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.197 11.459 -6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.569 12.816 -7.160 1.00 0.00 H new ATOM 296 N GLU A 33 0.481 7.184 -3.968 1.00 0.00 N ATOM 297 CA GLU A 33 0.829 7.210 -2.524 1.00 0.00 C ATOM 298 C GLU A 33 2.284 6.826 -2.325 1.00 0.00 C ATOM 299 O GLU A 33 2.908 7.208 -1.356 1.00 0.00 O ATOM 300 CB GLU A 33 -0.060 6.188 -1.792 1.00 0.00 C ATOM 301 CG GLU A 33 0.068 6.401 -0.283 1.00 0.00 C ATOM 302 CD GLU A 33 -0.725 7.645 0.120 1.00 0.00 C ATOM 303 OE1 GLU A 33 -1.909 7.650 -0.173 1.00 0.00 O ATOM 304 OE2 GLU A 33 -0.101 8.521 0.695 1.00 0.00 O ATOM 0 H GLU A 33 -0.436 6.796 -4.191 1.00 0.00 H new ATOM 0 HA GLU A 33 0.671 8.214 -2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.099 6.304 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.239 5.173 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.306 5.528 0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.116 6.519 -0.008 1.00 0.00 H new ATOM 311 N PHE A 34 2.798 6.087 -3.268 1.00 0.00 N ATOM 312 CA PHE A 34 4.205 5.656 -3.177 1.00 0.00 C ATOM 313 C PHE A 34 5.114 6.548 -4.019 1.00 0.00 C ATOM 314 O PHE A 34 6.280 6.699 -3.711 1.00 0.00 O ATOM 315 CB PHE A 34 4.295 4.220 -3.706 1.00 0.00 C ATOM 316 CG PHE A 34 3.894 3.246 -2.593 1.00 0.00 C ATOM 317 CD1 PHE A 34 4.712 3.061 -1.491 1.00 0.00 C ATOM 318 CD2 PHE A 34 2.709 2.533 -2.675 1.00 0.00 C ATOM 319 CE1 PHE A 34 4.349 2.179 -0.492 1.00 0.00 C ATOM 320 CE2 PHE A 34 2.352 1.654 -1.674 1.00 0.00 C ATOM 321 CZ PHE A 34 3.170 1.477 -0.588 1.00 0.00 C ATOM 0 H PHE A 34 2.297 5.766 -4.096 1.00 0.00 H new ATOM 0 HA PHE A 34 4.530 5.721 -2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.639 4.096 -4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.309 4.007 -4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.639 3.609 -1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.061 2.666 -3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.991 2.040 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.426 1.104 -1.746 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.888 0.786 0.193 1.00 0.00 H new ATOM 331 N ASP A 35 4.569 7.130 -5.069 1.00 0.00 N ATOM 332 CA ASP A 35 5.416 8.008 -5.923 1.00 0.00 C ATOM 333 C ASP A 35 5.290 9.469 -5.521 1.00 0.00 C ATOM 334 O ASP A 35 4.504 10.202 -6.090 1.00 0.00 O ATOM 335 CB ASP A 35 4.954 7.877 -7.379 1.00 0.00 C ATOM 336 CG ASP A 35 5.774 8.828 -8.257 1.00 0.00 C ATOM 337 OD1 ASP A 35 6.915 8.483 -8.519 1.00 0.00 O ATOM 338 OD2 ASP A 35 5.210 9.850 -8.616 1.00 0.00 O ATOM 0 H ASP A 35 3.596 7.033 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 35 6.454 7.697 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.078 6.850 -7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.893 8.114 -7.459 1.00 0.00 H new ATOM 343 N LYS A 36 6.059 9.875 -4.548 1.00 0.00 N ATOM 344 CA LYS A 36 5.977 11.290 -4.122 1.00 0.00 C ATOM 345 C LYS A 36 6.212 12.190 -5.324 1.00 0.00 C ATOM 346 O LYS A 36 6.118 13.397 -5.233 1.00 0.00 O ATOM 347 CB LYS A 36 7.072 11.555 -3.076 1.00 0.00 C ATOM 348 CG LYS A 36 7.066 13.045 -2.713 1.00 0.00 C ATOM 349 CD LYS A 36 7.491 13.213 -1.251 1.00 0.00 C ATOM 350 CE LYS A 36 9.000 12.990 -1.139 1.00 0.00 C ATOM 351 NZ LYS A 36 9.334 11.558 -1.374 1.00 0.00 N ATOM 0 H LYS A 36 6.728 9.296 -4.040 1.00 0.00 H new ATOM 0 HA LYS A 36 4.994 11.494 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.897 10.950 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.047 11.268 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.745 13.593 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.071 13.464 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.231 14.210 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.958 12.501 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.521 13.615 -1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.346 13.293 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.156 11.293 -0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.521 10.965 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.559 11.415 -2.379 1.00 0.00 H new ATOM 365 N ASP A 37 6.522 11.560 -6.437 1.00 0.00 N ATOM 366 CA ASP A 37 6.778 12.315 -7.691 1.00 0.00 C ATOM 367 C ASP A 37 8.206 12.876 -7.717 1.00 0.00 C ATOM 368 O ASP A 37 8.426 14.048 -7.481 1.00 0.00 O ATOM 369 CB ASP A 37 5.755 13.466 -7.808 1.00 0.00 C ATOM 370 CG ASP A 37 5.465 13.717 -9.287 1.00 0.00 C ATOM 371 OD1 ASP A 37 6.221 13.175 -10.088 1.00 0.00 O ATOM 372 OD2 ASP A 37 4.505 14.432 -9.538 1.00 0.00 O ATOM 0 H ASP A 37 6.607 10.547 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 37 6.670 11.636 -8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.836 13.209 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.148 14.369 -7.342 1.00 0.00 H new ATOM 377 N LYS A 38 9.151 12.010 -8.008 1.00 0.00 N ATOM 378 CA LYS A 38 10.574 12.448 -8.060 1.00 0.00 C ATOM 379 C LYS A 38 11.088 12.495 -9.492 1.00 0.00 C ATOM 380 O LYS A 38 12.087 13.129 -9.777 1.00 0.00 O ATOM 381 CB LYS A 38 11.420 11.431 -7.276 1.00 0.00 C ATOM 382 CG LYS A 38 11.126 11.572 -5.779 1.00 0.00 C ATOM 383 CD LYS A 38 11.503 10.268 -5.066 1.00 0.00 C ATOM 384 CE LYS A 38 13.028 10.120 -5.057 1.00 0.00 C ATOM 385 NZ LYS A 38 13.423 8.777 -4.547 1.00 0.00 N ATOM 0 H LYS A 38 8.993 11.023 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 38 10.647 13.448 -7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.192 10.418 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.480 11.599 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.692 12.405 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.070 11.794 -5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.120 10.274 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.046 9.418 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.418 10.261 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.470 10.896 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.460 8.696 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.068 8.656 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.017 8.040 -5.159 1.00 0.00 H new ATOM 399 N ASP A 39 10.399 11.831 -10.365 1.00 0.00 N ATOM 400 CA ASP A 39 10.830 11.822 -11.779 1.00 0.00 C ATOM 401 C ASP A 39 9.651 11.543 -12.684 1.00 0.00 C ATOM 402 O ASP A 39 9.523 12.120 -13.748 1.00 0.00 O ATOM 403 CB ASP A 39 11.846 10.689 -11.950 1.00 0.00 C ATOM 404 CG ASP A 39 11.470 9.547 -11.004 1.00 0.00 C ATOM 405 OD1 ASP A 39 10.306 9.518 -10.628 1.00 0.00 O ATOM 406 OD2 ASP A 39 12.363 8.769 -10.710 1.00 0.00 O ATOM 0 H ASP A 39 9.556 11.294 -10.161 1.00 0.00 H new ATOM 0 HA ASP A 39 11.260 12.790 -12.039 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.851 10.339 -12.982 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.852 11.047 -11.730 1.00 0.00 H new ATOM 411 N GLY A 40 8.801 10.665 -12.231 1.00 0.00 N ATOM 412 CA GLY A 40 7.598 10.305 -13.038 1.00 0.00 C ATOM 413 C GLY A 40 7.428 8.782 -13.077 1.00 0.00 C ATOM 414 O GLY A 40 6.436 8.279 -13.565 1.00 0.00 O ATOM 0 H GLY A 40 8.885 10.180 -11.338 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.710 10.767 -12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.700 10.694 -14.051 1.00 0.00 H new ATOM 418 N TYR A 41 8.409 8.082 -12.560 1.00 0.00 N ATOM 419 CA TYR A 41 8.336 6.593 -12.551 1.00 0.00 C ATOM 420 C TYR A 41 8.867 6.042 -11.231 1.00 0.00 C ATOM 421 O TYR A 41 9.634 6.698 -10.553 1.00 0.00 O ATOM 422 CB TYR A 41 9.204 6.060 -13.704 1.00 0.00 C ATOM 423 CG TYR A 41 9.087 7.004 -14.905 1.00 0.00 C ATOM 424 CD1 TYR A 41 7.873 7.189 -15.534 1.00 0.00 C ATOM 425 CD2 TYR A 41 10.193 7.682 -15.377 1.00 0.00 C ATOM 426 CE1 TYR A 41 7.765 8.039 -16.616 1.00 0.00 C ATOM 427 CE2 TYR A 41 10.085 8.531 -16.461 1.00 0.00 C ATOM 428 CZ TYR A 41 8.869 8.715 -17.089 1.00 0.00 C ATOM 429 OH TYR A 41 8.761 9.553 -18.180 1.00 0.00 O ATOM 0 H TYR A 41 9.253 8.478 -12.146 1.00 0.00 H new ATOM 0 HA TYR A 41 7.299 6.279 -12.669 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.244 5.984 -13.386 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.882 5.057 -13.983 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.999 6.664 -15.177 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.150 7.548 -14.895 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.807 8.176 -17.096 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.958 9.055 -16.820 1.00 0.00 H new ATOM 0 HH TYR A 41 9.636 9.948 -18.377 1.00 0.00 H new ATOM 439 N ILE A 42 8.457 4.840 -10.890 1.00 0.00 N ATOM 440 CA ILE A 42 8.933 4.239 -9.611 1.00 0.00 C ATOM 441 C ILE A 42 10.059 3.238 -9.836 1.00 0.00 C ATOM 442 O ILE A 42 10.245 2.735 -10.925 1.00 0.00 O ATOM 443 CB ILE A 42 7.762 3.507 -8.939 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.547 3.497 -9.852 1.00 0.00 C ATOM 445 CG2 ILE A 42 7.398 4.254 -7.647 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.514 2.514 -9.290 1.00 0.00 C ATOM 0 H ILE A 42 7.822 4.260 -11.438 1.00 0.00 H new ATOM 0 HA ILE A 42 9.311 5.046 -8.984 1.00 0.00 H new ATOM 0 HB ILE A 42 8.056 2.479 -8.727 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.118 4.497 -9.920 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.836 3.204 -10.861 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.567 3.748 -7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.260 4.268 -6.980 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.108 5.277 -7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.637 2.498 -9.937 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.949 1.516 -9.244 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.220 2.828 -8.288 1.00 0.00 H new ATOM 458 N ASN A 43 10.794 2.977 -8.786 1.00 0.00 N ATOM 459 CA ASN A 43 11.913 2.016 -8.891 1.00 0.00 C ATOM 460 C ASN A 43 11.448 0.634 -8.448 1.00 0.00 C ATOM 461 O ASN A 43 10.457 0.507 -7.756 1.00 0.00 O ATOM 462 CB ASN A 43 13.050 2.486 -7.965 1.00 0.00 C ATOM 463 CG ASN A 43 13.687 3.750 -8.549 1.00 0.00 C ATOM 464 OD1 ASN A 43 13.124 4.404 -9.405 1.00 0.00 O ATOM 465 ND2 ASN A 43 14.859 4.129 -8.115 1.00 0.00 N ATOM 0 H ASN A 43 10.662 3.392 -7.864 1.00 0.00 H new ATOM 0 HA ASN A 43 12.260 1.964 -9.923 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.662 2.688 -6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.799 1.701 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.296 4.969 -8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.337 3.585 -7.397 1.00 0.00 H new ATOM 472 N CYS A 44 12.165 -0.374 -8.846 1.00 0.00 N ATOM 473 CA CYS A 44 11.766 -1.750 -8.451 1.00 0.00 C ATOM 474 C CYS A 44 11.698 -1.905 -6.934 1.00 0.00 C ATOM 475 O CYS A 44 11.089 -2.829 -6.434 1.00 0.00 O ATOM 476 CB CYS A 44 12.811 -2.731 -8.999 1.00 0.00 C ATOM 477 SG CYS A 44 14.543 -2.206 -8.972 1.00 0.00 S ATOM 0 H CYS A 44 13.003 -0.308 -9.423 1.00 0.00 H new ATOM 0 HA CYS A 44 10.775 -1.953 -8.857 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.732 -3.659 -8.432 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.546 -2.964 -10.030 1.00 0.00 H new ATOM 0 HG CYS A 44 14.705 -1.204 -9.784 1.00 0.00 H new ATOM 483 N ARG A 45 12.321 -1.007 -6.227 1.00 0.00 N ATOM 484 CA ARG A 45 12.292 -1.103 -4.743 1.00 0.00 C ATOM 485 C ARG A 45 11.003 -0.534 -4.183 1.00 0.00 C ATOM 486 O ARG A 45 10.553 -0.934 -3.130 1.00 0.00 O ATOM 487 CB ARG A 45 13.473 -0.298 -4.188 1.00 0.00 C ATOM 488 CG ARG A 45 13.773 -0.766 -2.764 1.00 0.00 C ATOM 489 CD ARG A 45 15.124 -0.197 -2.325 1.00 0.00 C ATOM 490 NE ARG A 45 14.896 0.849 -1.290 1.00 0.00 N ATOM 491 CZ ARG A 45 15.876 1.192 -0.501 1.00 0.00 C ATOM 492 NH1 ARG A 45 16.811 1.975 -0.961 1.00 0.00 N ATOM 493 NH2 ARG A 45 15.887 0.741 0.724 1.00 0.00 N ATOM 0 H ARG A 45 12.844 -0.218 -6.607 1.00 0.00 H new ATOM 0 HA ARG A 45 12.358 -2.152 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.350 -0.433 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.238 0.766 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.987 -0.434 -2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.792 -1.855 -2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.755 -0.991 -1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.650 0.228 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 45 13.982 1.293 -1.199 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.768 2.309 -1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.585 2.254 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.137 0.131 1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.645 0.999 1.356 1.00 0.00 H new ATOM 507 N ASP A 46 10.432 0.389 -4.891 1.00 0.00 N ATOM 508 CA ASP A 46 9.174 0.989 -4.406 1.00 0.00 C ATOM 509 C ASP A 46 8.015 0.032 -4.604 1.00 0.00 C ATOM 510 O ASP A 46 7.176 -0.114 -3.735 1.00 0.00 O ATOM 511 CB ASP A 46 8.908 2.272 -5.207 1.00 0.00 C ATOM 512 CG ASP A 46 10.204 3.075 -5.315 1.00 0.00 C ATOM 513 OD1 ASP A 46 10.795 3.290 -4.270 1.00 0.00 O ATOM 514 OD2 ASP A 46 10.532 3.428 -6.435 1.00 0.00 O ATOM 0 H ASP A 46 10.780 0.751 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 46 9.266 1.208 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.536 2.024 -6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.137 2.867 -4.718 1.00 0.00 H new ATOM 519 N LEU A 47 7.976 -0.608 -5.741 1.00 0.00 N ATOM 520 CA LEU A 47 6.870 -1.553 -5.986 1.00 0.00 C ATOM 521 C LEU A 47 6.799 -2.608 -4.905 1.00 0.00 C ATOM 522 O LEU A 47 5.723 -2.918 -4.433 1.00 0.00 O ATOM 523 CB LEU A 47 7.083 -2.225 -7.336 1.00 0.00 C ATOM 524 CG LEU A 47 6.457 -1.340 -8.405 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.358 -0.131 -8.639 1.00 0.00 C ATOM 526 CD2 LEU A 47 6.307 -2.124 -9.687 1.00 0.00 C ATOM 0 H LEU A 47 8.655 -0.514 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 47 5.932 -0.998 -5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.147 -2.362 -7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.627 -3.215 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 47 5.473 -1.004 -8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.917 0.509 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.461 0.431 -7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.340 -0.468 -8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.859 -1.489 -10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.287 -2.461 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.667 -2.988 -9.512 1.00 0.00 H new ATOM 538 N GLY A 48 7.939 -3.168 -4.542 1.00 0.00 N ATOM 539 CA GLY A 48 7.923 -4.210 -3.479 1.00 0.00 C ATOM 540 C GLY A 48 6.951 -3.772 -2.401 1.00 0.00 C ATOM 541 O GLY A 48 6.278 -4.580 -1.785 1.00 0.00 O ATOM 0 H GLY A 48 8.855 -2.948 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.622 -5.172 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.921 -4.342 -3.061 1.00 0.00 H new ATOM 545 N ASN A 49 6.891 -2.481 -2.206 1.00 0.00 N ATOM 546 CA ASN A 49 5.971 -1.945 -1.182 1.00 0.00 C ATOM 547 C ASN A 49 4.583 -1.724 -1.790 1.00 0.00 C ATOM 548 O ASN A 49 3.577 -2.036 -1.178 1.00 0.00 O ATOM 549 CB ASN A 49 6.522 -0.601 -0.683 1.00 0.00 C ATOM 550 CG ASN A 49 6.022 -0.350 0.741 1.00 0.00 C ATOM 551 OD1 ASN A 49 4.837 -0.280 0.990 1.00 0.00 O ATOM 552 ND2 ASN A 49 6.893 -0.214 1.702 1.00 0.00 N ATOM 0 H ASN A 49 7.439 -1.785 -2.712 1.00 0.00 H new ATOM 0 HA ASN A 49 5.890 -2.653 -0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.612 -0.611 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.199 0.205 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.577 -0.050 2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.891 -0.272 1.498 1.00 0.00 H new ATOM 559 N CYS A 50 4.552 -1.198 -2.999 1.00 0.00 N ATOM 560 CA CYS A 50 3.240 -0.957 -3.651 1.00 0.00 C ATOM 561 C CYS A 50 2.554 -2.278 -3.890 1.00 0.00 C ATOM 562 O CYS A 50 1.341 -2.371 -3.899 1.00 0.00 O ATOM 563 CB CYS A 50 3.494 -0.262 -5.001 1.00 0.00 C ATOM 564 SG CYS A 50 4.755 1.037 -5.032 1.00 0.00 S ATOM 0 H CYS A 50 5.371 -0.933 -3.546 1.00 0.00 H new ATOM 0 HA CYS A 50 2.609 -0.333 -3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.775 -1.025 -5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.553 0.171 -5.342 1.00 0.00 H new ATOM 0 HG CYS A 50 5.663 0.782 -4.137 1.00 0.00 H new ATOM 570 N MET A 51 3.347 -3.276 -4.085 1.00 0.00 N ATOM 571 CA MET A 51 2.788 -4.607 -4.324 1.00 0.00 C ATOM 572 C MET A 51 2.212 -5.144 -3.036 1.00 0.00 C ATOM 573 O MET A 51 1.047 -5.459 -2.956 1.00 0.00 O ATOM 574 CB MET A 51 3.922 -5.516 -4.769 1.00 0.00 C ATOM 575 CG MET A 51 4.263 -5.213 -6.225 1.00 0.00 C ATOM 576 SD MET A 51 3.202 -5.943 -7.494 1.00 0.00 S ATOM 577 CE MET A 51 3.966 -7.581 -7.511 1.00 0.00 C ATOM 0 H MET A 51 4.366 -3.222 -4.088 1.00 0.00 H new ATOM 0 HA MET A 51 2.006 -4.561 -5.082 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.797 -5.362 -4.138 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.631 -6.561 -4.661 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.250 -4.131 -6.356 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.285 -5.545 -6.408 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.636 -8.127 -8.394 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.051 -7.476 -7.533 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.673 -8.129 -6.615 1.00 0.00 H new ATOM 587 N ARG A 52 3.049 -5.235 -2.035 1.00 0.00 N ATOM 588 CA ARG A 52 2.561 -5.747 -0.744 1.00 0.00 C ATOM 589 C ARG A 52 1.315 -4.985 -0.336 1.00 0.00 C ATOM 590 O ARG A 52 0.566 -5.420 0.514 1.00 0.00 O ATOM 591 CB ARG A 52 3.664 -5.543 0.317 1.00 0.00 C ATOM 592 CG ARG A 52 4.459 -6.847 0.472 1.00 0.00 C ATOM 593 CD ARG A 52 5.443 -6.716 1.645 1.00 0.00 C ATOM 594 NE ARG A 52 5.840 -5.286 1.801 1.00 0.00 N ATOM 595 CZ ARG A 52 6.590 -4.932 2.814 1.00 0.00 C ATOM 596 NH1 ARG A 52 7.883 -5.106 2.739 1.00 0.00 N ATOM 597 NH2 ARG A 52 6.020 -4.414 3.868 1.00 0.00 N ATOM 0 H ARG A 52 4.036 -4.978 -2.065 1.00 0.00 H new ATOM 0 HA ARG A 52 2.319 -6.806 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.327 -4.731 0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.220 -5.257 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.779 -7.681 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.001 -7.065 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.982 -7.079 2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.324 -7.332 1.466 1.00 0.00 H new ATOM 0 HE ARG A 52 5.529 -4.590 1.124 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.295 -5.513 1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.480 -4.835 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.008 -4.291 3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.587 -4.132 4.668 1.00 0.00 H new ATOM 611 N THR A 53 1.116 -3.847 -0.956 1.00 0.00 N ATOM 612 CA THR A 53 -0.075 -3.038 -0.623 1.00 0.00 C ATOM 613 C THR A 53 -1.256 -3.439 -1.497 1.00 0.00 C ATOM 614 O THR A 53 -2.396 -3.297 -1.100 1.00 0.00 O ATOM 615 CB THR A 53 0.255 -1.564 -0.879 1.00 0.00 C ATOM 616 OG1 THR A 53 1.061 -1.166 0.210 1.00 0.00 O ATOM 617 CG2 THR A 53 -1.004 -0.695 -0.768 1.00 0.00 C ATOM 0 H THR A 53 1.727 -3.454 -1.672 1.00 0.00 H new ATOM 0 HA THR A 53 -0.341 -3.202 0.421 1.00 0.00 H new ATOM 0 HB THR A 53 0.709 -1.453 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.001 -1.354 0.007 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.744 0.347 -0.954 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.738 -1.023 -1.504 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.425 -0.791 0.233 1.00 0.00 H new ATOM 625 N MET A 54 -0.954 -3.927 -2.676 1.00 0.00 N ATOM 626 CA MET A 54 -2.036 -4.348 -3.602 1.00 0.00 C ATOM 627 C MET A 54 -1.725 -5.715 -4.191 1.00 0.00 C ATOM 628 O MET A 54 -2.085 -6.003 -5.317 1.00 0.00 O ATOM 629 CB MET A 54 -2.135 -3.325 -4.745 1.00 0.00 C ATOM 630 CG MET A 54 -3.584 -3.274 -5.239 1.00 0.00 C ATOM 631 SD MET A 54 -3.967 -2.137 -6.594 1.00 0.00 S ATOM 632 CE MET A 54 -5.654 -2.717 -6.905 1.00 0.00 C ATOM 0 H MET A 54 -0.006 -4.049 -3.031 1.00 0.00 H new ATOM 0 HA MET A 54 -2.976 -4.402 -3.053 1.00 0.00 H new ATOM 0 HB2 MET A 54 -1.820 -2.341 -4.399 1.00 0.00 H new ATOM 0 HB3 MET A 54 -1.468 -3.605 -5.560 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.868 -4.279 -5.553 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.219 -3.014 -4.392 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.008 -2.314 -7.854 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.662 -3.806 -6.948 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.308 -2.381 -6.101 1.00 0.00 H new ATOM 642 N GLY A 55 -1.052 -6.536 -3.414 1.00 0.00 N ATOM 643 CA GLY A 55 -0.699 -7.901 -3.902 1.00 0.00 C ATOM 644 C GLY A 55 -1.072 -8.954 -2.854 1.00 0.00 C ATOM 645 O GLY A 55 -0.719 -10.108 -2.981 1.00 0.00 O ATOM 0 H GLY A 55 -0.736 -6.317 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.222 -8.107 -4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.369 -7.953 -4.116 1.00 0.00 H new ATOM 649 N TYR A 56 -1.766 -8.522 -1.829 1.00 0.00 N ATOM 650 CA TYR A 56 -2.177 -9.474 -0.758 1.00 0.00 C ATOM 651 C TYR A 56 -0.969 -10.189 -0.158 1.00 0.00 C ATOM 652 O TYR A 56 -0.953 -11.398 -0.038 1.00 0.00 O ATOM 653 CB TYR A 56 -3.131 -10.527 -1.361 1.00 0.00 C ATOM 654 CG TYR A 56 -4.306 -9.819 -2.043 1.00 0.00 C ATOM 655 CD1 TYR A 56 -5.178 -9.040 -1.308 1.00 0.00 C ATOM 656 CD2 TYR A 56 -4.514 -9.954 -3.401 1.00 0.00 C ATOM 657 CE1 TYR A 56 -6.240 -8.406 -1.922 1.00 0.00 C ATOM 658 CE2 TYR A 56 -5.575 -9.320 -4.014 1.00 0.00 C ATOM 659 CZ TYR A 56 -6.447 -8.542 -3.281 1.00 0.00 C ATOM 660 OH TYR A 56 -7.514 -7.916 -3.895 1.00 0.00 O ATOM 0 H TYR A 56 -2.063 -7.556 -1.691 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.672 -8.909 0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.597 -11.146 -2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.497 -11.192 -0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.028 -8.926 -0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.841 -10.561 -3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.914 -7.799 -1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.724 -9.434 -5.078 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.505 -8.120 -4.854 1.00 0.00 H new ATOM 670 N MET A 57 0.020 -9.423 0.208 1.00 0.00 N ATOM 671 CA MET A 57 1.242 -10.022 0.807 1.00 0.00 C ATOM 672 C MET A 57 1.801 -11.172 -0.029 1.00 0.00 C ATOM 673 O MET A 57 1.755 -12.321 0.367 1.00 0.00 O ATOM 674 CB MET A 57 0.875 -10.569 2.193 1.00 0.00 C ATOM 675 CG MET A 57 0.588 -9.399 3.130 1.00 0.00 C ATOM 676 SD MET A 57 0.389 -9.775 4.888 1.00 0.00 S ATOM 677 CE MET A 57 0.327 -8.065 5.476 1.00 0.00 C ATOM 0 H MET A 57 0.034 -8.407 0.118 1.00 0.00 H new ATOM 0 HA MET A 57 2.006 -9.246 0.859 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.002 -11.218 2.122 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.691 -11.175 2.587 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.400 -8.679 3.029 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.321 -8.906 2.785 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.205 -8.057 6.559 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.254 -7.555 5.211 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.515 -7.551 5.012 1.00 0.00 H new ATOM 687 N PRO A 58 2.317 -10.828 -1.178 1.00 0.00 N ATOM 688 CA PRO A 58 2.895 -11.811 -2.090 1.00 0.00 C ATOM 689 C PRO A 58 4.144 -12.439 -1.459 1.00 0.00 C ATOM 690 O PRO A 58 4.180 -12.674 -0.267 1.00 0.00 O ATOM 691 CB PRO A 58 3.283 -10.994 -3.350 1.00 0.00 C ATOM 692 CG PRO A 58 2.879 -9.513 -3.082 1.00 0.00 C ATOM 693 CD PRO A 58 2.331 -9.445 -1.647 1.00 0.00 C ATOM 0 HA PRO A 58 2.207 -12.624 -2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.353 -11.072 -3.544 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.770 -11.379 -4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.738 -8.853 -3.198 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.126 -9.184 -3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.961 -8.821 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.331 -9.012 -1.627 1.00 0.00 H new ATOM 701 N THR A 59 5.144 -12.705 -2.260 1.00 0.00 N ATOM 702 CA THR A 59 6.373 -13.309 -1.699 1.00 0.00 C ATOM 703 C THR A 59 7.260 -12.230 -1.083 1.00 0.00 C ATOM 704 O THR A 59 6.794 -11.151 -0.773 1.00 0.00 O ATOM 705 CB THR A 59 7.135 -13.979 -2.837 1.00 0.00 C ATOM 706 OG1 THR A 59 7.691 -12.916 -3.581 1.00 0.00 O ATOM 707 CG2 THR A 59 6.166 -14.672 -3.807 1.00 0.00 C ATOM 0 H THR A 59 5.157 -12.530 -3.265 1.00 0.00 H new ATOM 0 HA THR A 59 6.105 -14.031 -0.927 1.00 0.00 H new ATOM 0 HB THR A 59 7.850 -14.698 -2.437 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.997 -12.250 -3.769 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.731 -15.143 -4.611 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.596 -15.431 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.483 -13.934 -4.228 1.00 0.00 H new ATOM 715 N GLU A 60 8.523 -12.548 -0.920 1.00 0.00 N ATOM 716 CA GLU A 60 9.470 -11.563 -0.329 1.00 0.00 C ATOM 717 C GLU A 60 10.612 -11.281 -1.295 1.00 0.00 C ATOM 718 O GLU A 60 11.552 -10.585 -0.967 1.00 0.00 O ATOM 719 CB GLU A 60 10.048 -12.160 0.964 1.00 0.00 C ATOM 720 CG GLU A 60 9.838 -11.169 2.108 1.00 0.00 C ATOM 721 CD GLU A 60 10.172 -11.851 3.435 1.00 0.00 C ATOM 722 OE1 GLU A 60 11.296 -12.314 3.537 1.00 0.00 O ATOM 723 OE2 GLU A 60 9.285 -11.872 4.272 1.00 0.00 O ATOM 0 H GLU A 60 8.934 -13.447 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 60 8.942 -10.632 -0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.559 -13.107 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.110 -12.371 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.471 -10.293 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.806 -10.818 2.116 1.00 0.00 H new ATOM 730 N MET A 61 10.505 -11.828 -2.472 1.00 0.00 N ATOM 731 CA MET A 61 11.567 -11.611 -3.481 1.00 0.00 C ATOM 732 C MET A 61 11.029 -11.867 -4.875 1.00 0.00 C ATOM 733 O MET A 61 11.680 -11.574 -5.855 1.00 0.00 O ATOM 734 CB MET A 61 12.710 -12.601 -3.210 1.00 0.00 C ATOM 735 CG MET A 61 12.338 -13.967 -3.796 1.00 0.00 C ATOM 736 SD MET A 61 13.160 -15.423 -3.102 1.00 0.00 S ATOM 737 CE MET A 61 14.752 -14.639 -2.749 1.00 0.00 C ATOM 0 H MET A 61 9.728 -12.415 -2.775 1.00 0.00 H new ATOM 0 HA MET A 61 11.919 -10.581 -3.415 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.635 -12.239 -3.658 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.887 -12.687 -2.138 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.262 -14.101 -3.682 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.544 -13.942 -4.866 1.00 0.00 H new ATOM 0 HE1 MET A 61 15.514 -15.407 -2.614 1.00 0.00 H new ATOM 0 HE2 MET A 61 15.032 -13.993 -3.581 1.00 0.00 H new ATOM 0 HE3 MET A 61 14.671 -14.045 -1.839 1.00 0.00 H new ATOM 747 N GLU A 62 9.850 -12.420 -4.948 1.00 0.00 N ATOM 748 CA GLU A 62 9.280 -12.691 -6.279 1.00 0.00 C ATOM 749 C GLU A 62 9.073 -11.389 -7.024 1.00 0.00 C ATOM 750 O GLU A 62 9.348 -11.298 -8.205 1.00 0.00 O ATOM 751 CB GLU A 62 7.930 -13.405 -6.115 1.00 0.00 C ATOM 752 CG GLU A 62 7.510 -13.990 -7.465 1.00 0.00 C ATOM 753 CD GLU A 62 6.142 -14.658 -7.325 1.00 0.00 C ATOM 754 OE1 GLU A 62 6.138 -15.800 -6.894 1.00 0.00 O ATOM 755 OE2 GLU A 62 5.177 -13.990 -7.656 1.00 0.00 O ATOM 0 H GLU A 62 9.271 -12.689 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 62 9.966 -13.322 -6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.011 -14.197 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.175 -12.705 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.467 -13.203 -8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.249 -14.716 -7.805 1.00 0.00 H new ATOM 762 N LEU A 63 8.590 -10.395 -6.323 1.00 0.00 N ATOM 763 CA LEU A 63 8.368 -9.093 -6.989 1.00 0.00 C ATOM 764 C LEU A 63 9.599 -8.746 -7.785 1.00 0.00 C ATOM 765 O LEU A 63 9.536 -8.455 -8.961 1.00 0.00 O ATOM 766 CB LEU A 63 8.167 -8.004 -5.919 1.00 0.00 C ATOM 767 CG LEU A 63 7.343 -8.560 -4.745 1.00 0.00 C ATOM 768 CD1 LEU A 63 8.179 -8.468 -3.461 1.00 0.00 C ATOM 769 CD2 LEU A 63 6.080 -7.722 -4.584 1.00 0.00 C ATOM 0 H LEU A 63 8.345 -10.434 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 63 7.492 -9.153 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.135 -7.653 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.658 -7.144 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 63 7.074 -9.599 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.603 -8.860 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.092 -9.052 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.437 -7.427 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.490 -8.109 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.354 -6.686 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.492 -7.770 -5.501 1.00 0.00 H new ATOM 781 N ILE A 64 10.706 -8.792 -7.111 1.00 0.00 N ATOM 782 CA ILE A 64 11.974 -8.481 -7.758 1.00 0.00 C ATOM 783 C ILE A 64 12.059 -9.157 -9.120 1.00 0.00 C ATOM 784 O ILE A 64 12.477 -8.554 -10.084 1.00 0.00 O ATOM 785 CB ILE A 64 13.077 -9.003 -6.818 1.00 0.00 C ATOM 786 CG1 ILE A 64 13.961 -7.859 -6.409 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.931 -10.073 -7.527 1.00 0.00 C ATOM 788 CD1 ILE A 64 13.128 -6.876 -5.589 1.00 0.00 C ATOM 0 H ILE A 64 10.774 -9.037 -6.123 1.00 0.00 H new ATOM 0 HA ILE A 64 12.080 -7.410 -7.930 1.00 0.00 H new ATOM 0 HB ILE A 64 12.609 -9.450 -5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.805 -8.223 -5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.373 -7.365 -7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.705 -10.430 -6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.296 -10.908 -7.824 1.00 0.00 H new ATOM 0 HG23 ILE A 64 14.397 -9.639 -8.412 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.753 -6.037 -5.282 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.299 -6.509 -6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.737 -7.380 -4.705 1.00 0.00 H new ATOM 800 N GLU A 65 11.655 -10.398 -9.175 1.00 0.00 N ATOM 801 CA GLU A 65 11.711 -11.112 -10.469 1.00 0.00 C ATOM 802 C GLU A 65 10.852 -10.398 -11.490 1.00 0.00 C ATOM 803 O GLU A 65 11.183 -10.337 -12.658 1.00 0.00 O ATOM 804 CB GLU A 65 11.178 -12.538 -10.278 1.00 0.00 C ATOM 805 CG GLU A 65 11.561 -13.377 -11.498 1.00 0.00 C ATOM 806 CD GLU A 65 10.639 -14.593 -11.587 1.00 0.00 C ATOM 807 OE1 GLU A 65 9.441 -14.364 -11.590 1.00 0.00 O ATOM 808 OE2 GLU A 65 11.184 -15.682 -11.648 1.00 0.00 O ATOM 0 H GLU A 65 11.294 -10.937 -8.388 1.00 0.00 H new ATOM 0 HA GLU A 65 12.742 -11.139 -10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.595 -12.978 -9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.095 -12.523 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.480 -12.778 -12.405 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.599 -13.699 -11.420 1.00 0.00 H new ATOM 815 N LEU A 66 9.754 -9.869 -11.033 1.00 0.00 N ATOM 816 CA LEU A 66 8.862 -9.152 -11.961 1.00 0.00 C ATOM 817 C LEU A 66 9.481 -7.816 -12.331 1.00 0.00 C ATOM 818 O LEU A 66 9.644 -7.496 -13.501 1.00 0.00 O ATOM 819 CB LEU A 66 7.516 -8.913 -11.258 1.00 0.00 C ATOM 820 CG LEU A 66 6.925 -10.262 -10.836 1.00 0.00 C ATOM 821 CD1 LEU A 66 5.647 -10.029 -10.025 1.00 0.00 C ATOM 822 CD2 LEU A 66 6.584 -11.072 -12.089 1.00 0.00 C ATOM 0 H LEU A 66 9.443 -9.905 -10.062 1.00 0.00 H new ATOM 0 HA LEU A 66 8.714 -9.741 -12.866 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.655 -8.274 -10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.829 -8.394 -11.927 1.00 0.00 H new ATOM 0 HG LEU A 66 7.649 -10.804 -10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.227 -10.989 -9.725 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.882 -9.442 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.922 -9.490 -10.635 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.163 -12.034 -11.797 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.857 -10.525 -12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.489 -11.235 -12.674 1.00 0.00 H new ATOM 834 N SER A 67 9.836 -7.053 -11.327 1.00 0.00 N ATOM 835 CA SER A 67 10.443 -5.747 -11.613 1.00 0.00 C ATOM 836 C SER A 67 11.790 -5.948 -12.286 1.00 0.00 C ATOM 837 O SER A 67 12.404 -5.010 -12.752 1.00 0.00 O ATOM 838 CB SER A 67 10.613 -4.973 -10.295 1.00 0.00 C ATOM 839 OG SER A 67 11.896 -5.362 -9.821 1.00 0.00 O ATOM 0 H SER A 67 9.728 -7.286 -10.340 1.00 0.00 H new ATOM 0 HA SER A 67 9.800 -5.176 -12.283 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.558 -3.896 -10.456 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.831 -5.228 -9.580 1.00 0.00 H new ATOM 0 HG SER A 67 11.871 -5.453 -8.846 1.00 0.00 H new ATOM 845 N GLN A 68 12.238 -7.183 -12.308 1.00 0.00 N ATOM 846 CA GLN A 68 13.537 -7.467 -12.950 1.00 0.00 C ATOM 847 C GLN A 68 13.302 -7.588 -14.431 1.00 0.00 C ATOM 848 O GLN A 68 13.961 -6.944 -15.221 1.00 0.00 O ATOM 849 CB GLN A 68 14.094 -8.796 -12.422 1.00 0.00 C ATOM 850 CG GLN A 68 15.031 -8.515 -11.247 1.00 0.00 C ATOM 851 CD GLN A 68 16.480 -8.536 -11.736 1.00 0.00 C ATOM 852 OE1 GLN A 68 17.186 -7.550 -11.662 1.00 0.00 O ATOM 853 NE2 GLN A 68 16.963 -9.637 -12.243 1.00 0.00 N ATOM 0 H GLN A 68 11.757 -7.990 -11.911 1.00 0.00 H new ATOM 0 HA GLN A 68 14.248 -6.670 -12.733 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.278 -9.446 -12.105 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.630 -9.320 -13.213 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.799 -7.546 -10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.888 -9.263 -10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.376 -10.469 -12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.927 -9.666 -12.574 1.00 0.00 H new ATOM 862 N GLN A 69 12.353 -8.425 -14.791 1.00 0.00 N ATOM 863 CA GLN A 69 12.062 -8.592 -16.221 1.00 0.00 C ATOM 864 C GLN A 69 11.966 -7.216 -16.837 1.00 0.00 C ATOM 865 O GLN A 69 12.320 -7.009 -17.981 1.00 0.00 O ATOM 866 CB GLN A 69 10.715 -9.315 -16.374 1.00 0.00 C ATOM 867 CG GLN A 69 10.653 -9.968 -17.757 1.00 0.00 C ATOM 868 CD GLN A 69 11.756 -11.025 -17.866 1.00 0.00 C ATOM 869 OE1 GLN A 69 12.181 -11.597 -16.881 1.00 0.00 O ATOM 870 NE2 GLN A 69 12.246 -11.311 -19.041 1.00 0.00 N ATOM 0 H GLN A 69 11.785 -8.984 -14.154 1.00 0.00 H new ATOM 0 HA GLN A 69 12.842 -9.174 -16.711 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.603 -10.070 -15.596 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.893 -8.609 -16.254 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.677 -10.427 -17.912 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.778 -9.214 -18.534 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.893 -10.834 -19.871 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.982 -12.012 -19.130 1.00 0.00 H new ATOM 879 N ILE A 70 11.476 -6.284 -16.047 1.00 0.00 N ATOM 880 CA ILE A 70 11.343 -4.907 -16.540 1.00 0.00 C ATOM 881 C ILE A 70 12.629 -4.492 -17.241 1.00 0.00 C ATOM 882 O ILE A 70 12.619 -3.724 -18.181 1.00 0.00 O ATOM 883 CB ILE A 70 11.119 -4.022 -15.299 1.00 0.00 C ATOM 884 CG1 ILE A 70 10.005 -3.033 -15.545 1.00 0.00 C ATOM 885 CG2 ILE A 70 12.407 -3.232 -14.967 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.466 -2.567 -14.197 1.00 0.00 C ATOM 0 H ILE A 70 11.168 -6.435 -15.086 1.00 0.00 H new ATOM 0 HA ILE A 70 10.520 -4.813 -17.249 1.00 0.00 H new ATOM 0 HB ILE A 70 10.854 -4.674 -14.467 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.373 -2.183 -16.120 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.211 -3.495 -16.131 1.00 0.00 H new ATOM 0 HG21 ILE A 70 12.236 -2.610 -14.088 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.220 -3.930 -14.766 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.674 -2.599 -15.813 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.659 -1.851 -14.355 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.086 -3.424 -13.641 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.266 -2.092 -13.630 1.00 0.00 H new ATOM 898 N ASN A 71 13.716 -5.022 -16.754 1.00 0.00 N ATOM 899 CA ASN A 71 15.028 -4.697 -17.348 1.00 0.00 C ATOM 900 C ASN A 71 14.996 -4.881 -18.854 1.00 0.00 C ATOM 901 O ASN A 71 15.919 -4.504 -19.549 1.00 0.00 O ATOM 902 CB ASN A 71 16.071 -5.650 -16.743 1.00 0.00 C ATOM 903 CG ASN A 71 17.375 -5.549 -17.539 1.00 0.00 C ATOM 904 OD1 ASN A 71 17.859 -4.472 -17.825 1.00 0.00 O ATOM 905 ND2 ASN A 71 17.974 -6.646 -17.914 1.00 0.00 N ATOM 0 H ASN A 71 13.745 -5.669 -15.966 1.00 0.00 H new ATOM 0 HA ASN A 71 15.278 -3.657 -17.136 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.249 -5.396 -15.698 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.699 -6.674 -16.763 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.844 -6.596 -18.444 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.572 -7.553 -17.677 1.00 0.00 H new ATOM 912 N MET A 72 13.932 -5.459 -19.334 1.00 0.00 N ATOM 913 CA MET A 72 13.820 -5.676 -20.790 1.00 0.00 C ATOM 914 C MET A 72 13.369 -4.400 -21.481 1.00 0.00 C ATOM 915 O MET A 72 13.633 -4.193 -22.649 1.00 0.00 O ATOM 916 CB MET A 72 12.775 -6.768 -21.036 1.00 0.00 C ATOM 917 CG MET A 72 12.765 -7.119 -22.522 1.00 0.00 C ATOM 918 SD MET A 72 11.728 -6.106 -23.606 1.00 0.00 S ATOM 919 CE MET A 72 11.920 -7.107 -25.102 1.00 0.00 C ATOM 0 H MET A 72 13.142 -5.787 -18.779 1.00 0.00 H new ATOM 0 HA MET A 72 14.791 -5.970 -21.189 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.007 -7.652 -20.442 1.00 0.00 H new ATOM 0 HB3 MET A 72 11.789 -6.423 -20.724 1.00 0.00 H new ATOM 0 HG2 MET A 72 13.790 -7.065 -22.888 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.445 -8.156 -22.622 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.352 -6.657 -25.916 1.00 0.00 H new ATOM 0 HE2 MET A 72 12.974 -7.152 -25.377 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.550 -8.115 -24.915 1.00 0.00 H new ATOM 929 N ASN A 73 12.690 -3.563 -20.742 1.00 0.00 N ATOM 930 CA ASN A 73 12.210 -2.293 -21.330 1.00 0.00 C ATOM 931 C ASN A 73 13.223 -1.186 -21.093 1.00 0.00 C ATOM 932 O ASN A 73 14.010 -0.860 -21.962 1.00 0.00 O ATOM 933 CB ASN A 73 10.892 -1.902 -20.641 1.00 0.00 C ATOM 934 CG ASN A 73 9.836 -2.976 -20.909 1.00 0.00 C ATOM 935 OD1 ASN A 73 9.627 -3.870 -20.111 1.00 0.00 O ATOM 936 ND2 ASN A 73 9.145 -2.925 -22.013 1.00 0.00 N ATOM 0 H ASN A 73 12.451 -3.709 -19.761 1.00 0.00 H new ATOM 0 HA ASN A 73 12.066 -2.426 -22.402 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.049 -1.792 -19.568 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.547 -0.937 -21.013 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.435 -3.632 -22.203 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.315 -2.178 -22.687 1.00 0.00 H new ATOM 943 N LEU A 74 13.184 -0.632 -19.910 1.00 0.00 N ATOM 944 CA LEU A 74 14.128 0.459 -19.569 1.00 0.00 C ATOM 945 C LEU A 74 15.253 -0.061 -18.687 1.00 0.00 C ATOM 946 O LEU A 74 16.325 -0.373 -19.165 1.00 0.00 O ATOM 947 CB LEU A 74 13.358 1.539 -18.799 1.00 0.00 C ATOM 948 CG LEU A 74 12.266 2.117 -19.704 1.00 0.00 C ATOM 949 CD1 LEU A 74 11.422 3.111 -18.906 1.00 0.00 C ATOM 950 CD2 LEU A 74 12.920 2.844 -20.881 1.00 0.00 C ATOM 0 H LEU A 74 12.536 -0.892 -19.167 1.00 0.00 H new ATOM 0 HA LEU A 74 14.558 0.861 -20.486 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.914 1.115 -17.898 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.037 2.329 -18.478 1.00 0.00 H new ATOM 0 HG LEU A 74 11.632 1.311 -20.074 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.644 3.524 -19.547 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.962 2.601 -18.060 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.058 3.918 -18.541 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.147 3.257 -21.528 1.00 0.00 H new ATOM 0 HD22 LEU A 74 13.549 3.651 -20.506 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.531 2.142 -21.448 1.00 0.00 H new ATOM 962 N GLY A 75 14.990 -0.149 -17.408 1.00 0.00 N ATOM 963 CA GLY A 75 16.046 -0.652 -16.484 1.00 0.00 C ATOM 964 C GLY A 75 15.810 -0.148 -15.057 1.00 0.00 C ATOM 965 O GLY A 75 16.576 0.641 -14.543 1.00 0.00 O ATOM 0 H GLY A 75 14.103 0.102 -16.970 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.053 -1.742 -16.492 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.026 -0.324 -16.832 1.00 0.00 H new ATOM 969 N GLY A 76 14.755 -0.616 -14.445 1.00 0.00 N ATOM 970 CA GLY A 76 14.466 -0.170 -13.053 1.00 0.00 C ATOM 971 C GLY A 76 13.564 1.067 -13.055 1.00 0.00 C ATOM 972 O GLY A 76 13.676 1.920 -12.198 1.00 0.00 O ATOM 0 H GLY A 76 14.089 -1.279 -14.843 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.984 -0.976 -12.501 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.399 0.056 -12.537 1.00 0.00 H new ATOM 976 N HIS A 77 12.689 1.137 -14.019 1.00 0.00 N ATOM 977 CA HIS A 77 11.775 2.303 -14.092 1.00 0.00 C ATOM 978 C HIS A 77 10.430 1.873 -14.644 1.00 0.00 C ATOM 979 O HIS A 77 10.361 1.267 -15.695 1.00 0.00 O ATOM 980 CB HIS A 77 12.395 3.348 -15.028 1.00 0.00 C ATOM 981 CG HIS A 77 13.426 4.169 -14.251 1.00 0.00 C ATOM 982 ND1 HIS A 77 13.274 5.356 -13.898 1.00 0.00 N ATOM 983 CD2 HIS A 77 14.677 3.804 -13.788 1.00 0.00 C ATOM 984 CE1 HIS A 77 14.283 5.785 -13.262 1.00 0.00 C ATOM 985 NE2 HIS A 77 15.238 4.861 -13.140 1.00 0.00 N ATOM 0 H HIS A 77 12.570 0.440 -14.754 1.00 0.00 H new ATOM 0 HA HIS A 77 11.631 2.721 -13.096 1.00 0.00 H new ATOM 0 HB2 HIS A 77 12.869 2.857 -15.878 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.619 4.001 -15.429 1.00 0.00 H new ATOM 0 HD2 HIS A 77 15.135 2.835 -13.920 1.00 0.00 H new ATOM 0 HE1 HIS A 77 14.361 6.786 -12.864 1.00 0.00 H new ATOM 0 HE2 HIS A 77 16.147 4.929 -12.683 1.00 0.00 H new ATOM 993 N VAL A 78 9.378 2.195 -13.923 1.00 0.00 N ATOM 994 CA VAL A 78 8.024 1.809 -14.392 1.00 0.00 C ATOM 995 C VAL A 78 7.043 2.963 -14.336 1.00 0.00 C ATOM 996 O VAL A 78 6.942 3.668 -13.351 1.00 0.00 O ATOM 997 CB VAL A 78 7.521 0.667 -13.472 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.407 0.601 -12.255 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.079 0.920 -13.003 1.00 0.00 C ATOM 0 H VAL A 78 9.407 2.704 -13.039 1.00 0.00 H new ATOM 0 HA VAL A 78 8.089 1.495 -15.434 1.00 0.00 H new ATOM 0 HB VAL A 78 7.549 -0.265 -14.037 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.064 -0.199 -11.598 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.434 0.403 -12.563 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.365 1.551 -11.722 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.757 0.101 -12.360 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.036 1.857 -12.447 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.420 0.982 -13.869 1.00 0.00 H new ATOM 1009 N ASP A 79 6.352 3.131 -15.412 1.00 0.00 N ATOM 1010 CA ASP A 79 5.360 4.211 -15.489 1.00 0.00 C ATOM 1011 C ASP A 79 4.034 3.632 -15.077 1.00 0.00 C ATOM 1012 O ASP A 79 3.888 2.427 -15.052 1.00 0.00 O ATOM 1013 CB ASP A 79 5.258 4.700 -16.943 1.00 0.00 C ATOM 1014 CG ASP A 79 6.558 5.394 -17.345 1.00 0.00 C ATOM 1015 OD1 ASP A 79 7.568 5.030 -16.766 1.00 0.00 O ATOM 1016 OD2 ASP A 79 6.468 6.248 -18.212 1.00 0.00 O ATOM 0 H ASP A 79 6.435 2.558 -16.252 1.00 0.00 H new ATOM 0 HA ASP A 79 5.643 5.044 -14.846 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.064 3.858 -17.607 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.420 5.389 -17.047 1.00 0.00 H new ATOM 1021 N PHE A 80 3.093 4.456 -14.732 1.00 0.00 N ATOM 1022 CA PHE A 80 1.796 3.885 -14.328 1.00 0.00 C ATOM 1023 C PHE A 80 1.347 2.815 -15.321 1.00 0.00 C ATOM 1024 O PHE A 80 0.431 2.062 -15.054 1.00 0.00 O ATOM 1025 CB PHE A 80 0.740 4.990 -14.270 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.475 4.436 -13.534 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.348 3.948 -12.243 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.706 4.365 -14.159 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.427 3.395 -11.598 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.786 3.810 -13.507 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.646 3.325 -12.227 1.00 0.00 C ATOM 0 H PHE A 80 3.164 5.473 -14.713 1.00 0.00 H new ATOM 0 HA PHE A 80 1.912 3.431 -13.344 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.132 5.866 -13.754 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.465 5.309 -15.275 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.606 4.003 -11.741 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.822 4.746 -15.163 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.317 3.014 -10.593 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.744 3.756 -14.002 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.493 2.890 -11.718 1.00 0.00 H new ATOM 1041 N ASP A 81 2.004 2.769 -16.455 1.00 0.00 N ATOM 1042 CA ASP A 81 1.632 1.757 -17.468 1.00 0.00 C ATOM 1043 C ASP A 81 2.323 0.431 -17.156 1.00 0.00 C ATOM 1044 O ASP A 81 1.687 -0.603 -17.125 1.00 0.00 O ATOM 1045 CB ASP A 81 2.071 2.260 -18.864 1.00 0.00 C ATOM 1046 CG ASP A 81 3.477 1.742 -19.188 1.00 0.00 C ATOM 1047 OD1 ASP A 81 3.594 0.534 -19.315 1.00 0.00 O ATOM 1048 OD2 ASP A 81 4.351 2.582 -19.297 1.00 0.00 O ATOM 0 H ASP A 81 2.774 3.387 -16.713 1.00 0.00 H new ATOM 0 HA ASP A 81 0.553 1.603 -17.454 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.365 1.919 -19.621 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.061 3.350 -18.887 1.00 0.00 H new ATOM 1053 N ASP A 82 3.620 0.477 -16.921 1.00 0.00 N ATOM 1054 CA ASP A 82 4.333 -0.780 -16.611 1.00 0.00 C ATOM 1055 C ASP A 82 3.878 -1.260 -15.253 1.00 0.00 C ATOM 1056 O ASP A 82 3.845 -2.441 -14.972 1.00 0.00 O ATOM 1057 CB ASP A 82 5.839 -0.499 -16.573 1.00 0.00 C ATOM 1058 CG ASP A 82 6.602 -1.809 -16.774 1.00 0.00 C ATOM 1059 OD1 ASP A 82 6.763 -2.498 -15.780 1.00 0.00 O ATOM 1060 OD2 ASP A 82 6.979 -2.047 -17.909 1.00 0.00 O ATOM 0 H ASP A 82 4.193 1.321 -16.933 1.00 0.00 H new ATOM 0 HA ASP A 82 4.122 -1.537 -17.366 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.107 0.215 -17.352 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.113 -0.048 -15.619 1.00 0.00 H new ATOM 1065 N PHE A 83 3.538 -0.309 -14.431 1.00 0.00 N ATOM 1066 CA PHE A 83 3.071 -0.631 -13.074 1.00 0.00 C ATOM 1067 C PHE A 83 1.807 -1.466 -13.189 1.00 0.00 C ATOM 1068 O PHE A 83 1.706 -2.550 -12.631 1.00 0.00 O ATOM 1069 CB PHE A 83 2.763 0.714 -12.395 1.00 0.00 C ATOM 1070 CG PHE A 83 2.225 0.528 -10.977 1.00 0.00 C ATOM 1071 CD1 PHE A 83 3.071 0.167 -9.940 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.910 0.847 -10.688 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.605 0.139 -8.639 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.449 0.816 -9.390 1.00 0.00 C ATOM 1075 CZ PHE A 83 1.295 0.468 -8.367 1.00 0.00 C ATOM 0 H PHE A 83 3.567 0.686 -14.652 1.00 0.00 H new ATOM 0 HA PHE A 83 3.808 -1.192 -12.500 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.669 1.320 -12.363 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.033 1.262 -12.991 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.098 -0.093 -10.149 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.238 1.123 -11.488 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.269 -0.141 -7.834 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.580 1.066 -9.177 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.934 0.452 -7.349 1.00 0.00 H new ATOM 1085 N VAL A 84 0.865 -0.952 -13.938 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.398 -1.687 -14.118 1.00 0.00 C ATOM 1087 C VAL A 84 -0.108 -2.980 -14.860 1.00 0.00 C ATOM 1088 O VAL A 84 -0.767 -3.982 -14.664 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.349 -0.813 -14.964 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.286 -1.710 -15.776 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -2.182 0.073 -14.037 1.00 0.00 C ATOM 0 H VAL A 84 0.926 -0.058 -14.426 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.854 -1.912 -13.154 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.762 -0.192 -15.640 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.956 -1.091 -16.372 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.698 -2.348 -16.436 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.872 -2.331 -15.099 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.854 0.691 -14.632 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.766 -0.554 -13.363 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.520 0.714 -13.454 1.00 0.00 H new ATOM 1101 N GLU A 85 0.891 -2.927 -15.709 1.00 0.00 N ATOM 1102 CA GLU A 85 1.255 -4.133 -16.480 1.00 0.00 C ATOM 1103 C GLU A 85 1.808 -5.194 -15.545 1.00 0.00 C ATOM 1104 O GLU A 85 1.402 -6.336 -15.594 1.00 0.00 O ATOM 1105 CB GLU A 85 2.335 -3.752 -17.506 1.00 0.00 C ATOM 1106 CG GLU A 85 2.344 -4.791 -18.630 1.00 0.00 C ATOM 1107 CD GLU A 85 3.135 -4.245 -19.820 1.00 0.00 C ATOM 1108 OE1 GLU A 85 2.748 -3.185 -20.286 1.00 0.00 O ATOM 1109 OE2 GLU A 85 4.081 -4.917 -20.197 1.00 0.00 O ATOM 0 H GLU A 85 1.460 -2.101 -15.893 1.00 0.00 H new ATOM 0 HA GLU A 85 0.373 -4.526 -16.986 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.135 -2.760 -17.912 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.312 -3.709 -17.025 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.791 -5.720 -18.278 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.323 -5.023 -18.934 1.00 0.00 H new ATOM 1116 N LEU A 86 2.735 -4.801 -14.706 1.00 0.00 N ATOM 1117 CA LEU A 86 3.311 -5.787 -13.769 1.00 0.00 C ATOM 1118 C LEU A 86 2.186 -6.541 -13.089 1.00 0.00 C ATOM 1119 O LEU A 86 2.295 -7.718 -12.812 1.00 0.00 O ATOM 1120 CB LEU A 86 4.130 -5.035 -12.707 1.00 0.00 C ATOM 1121 CG LEU A 86 5.524 -4.732 -13.274 1.00 0.00 C ATOM 1122 CD1 LEU A 86 6.140 -3.551 -12.518 1.00 0.00 C ATOM 1123 CD2 LEU A 86 6.418 -5.961 -13.095 1.00 0.00 C ATOM 0 H LEU A 86 3.107 -3.854 -14.637 1.00 0.00 H new ATOM 0 HA LEU A 86 3.949 -6.488 -14.307 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.627 -4.109 -12.430 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.214 -5.636 -11.801 1.00 0.00 H new ATOM 0 HG LEU A 86 5.439 -4.484 -14.332 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.130 -3.337 -12.922 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.504 -2.674 -12.633 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.226 -3.801 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.410 -5.751 -13.496 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.499 -6.201 -12.035 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.983 -6.808 -13.626 1.00 0.00 H new ATOM 1135 N MET A 87 1.118 -5.833 -12.824 1.00 0.00 N ATOM 1136 CA MET A 87 -0.043 -6.477 -12.163 1.00 0.00 C ATOM 1137 C MET A 87 -0.984 -7.057 -13.222 1.00 0.00 C ATOM 1138 O MET A 87 -1.919 -7.770 -12.916 1.00 0.00 O ATOM 1139 CB MET A 87 -0.791 -5.405 -11.352 1.00 0.00 C ATOM 1140 CG MET A 87 0.203 -4.685 -10.427 1.00 0.00 C ATOM 1141 SD MET A 87 0.123 -5.065 -8.659 1.00 0.00 S ATOM 1142 CE MET A 87 0.822 -3.505 -8.063 1.00 0.00 C ATOM 0 H MET A 87 1.005 -4.842 -13.038 1.00 0.00 H new ATOM 0 HA MET A 87 0.297 -7.281 -11.511 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.265 -4.689 -12.023 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.585 -5.865 -10.764 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.211 -4.911 -10.775 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.058 -3.611 -10.547 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.382 -3.684 -7.145 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.489 -3.092 -8.820 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.017 -2.798 -7.865 1.00 0.00 H new ATOM 1152 N GLY A 88 -0.700 -6.726 -14.454 1.00 0.00 N ATOM 1153 CA GLY A 88 -1.534 -7.221 -15.591 1.00 0.00 C ATOM 1154 C GLY A 88 -1.784 -8.752 -15.547 1.00 0.00 C ATOM 1155 O GLY A 88 -2.913 -9.191 -15.643 1.00 0.00 O ATOM 0 H GLY A 88 0.081 -6.128 -14.724 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.493 -6.703 -15.582 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.043 -6.967 -16.530 1.00 0.00 H new ATOM 1159 N PRO A 89 -0.723 -9.538 -15.399 1.00 0.00 N ATOM 1160 CA PRO A 89 -0.855 -10.994 -15.351 1.00 0.00 C ATOM 1161 C PRO A 89 -2.026 -11.447 -14.483 1.00 0.00 C ATOM 1162 O PRO A 89 -2.806 -12.283 -14.891 1.00 0.00 O ATOM 1163 CB PRO A 89 0.482 -11.486 -14.770 1.00 0.00 C ATOM 1164 CG PRO A 89 1.480 -10.292 -14.865 1.00 0.00 C ATOM 1165 CD PRO A 89 0.652 -9.040 -15.222 1.00 0.00 C ATOM 0 HA PRO A 89 -1.063 -11.404 -16.339 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.360 -11.806 -13.735 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.853 -12.346 -15.328 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.004 -10.151 -13.920 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.238 -10.483 -15.625 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.703 -8.292 -14.430 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.022 -8.567 -16.132 1.00 0.00 H new ATOM 1173 N LYS A 90 -2.135 -10.899 -13.307 1.00 0.00 N ATOM 1174 CA LYS A 90 -3.260 -11.313 -12.435 1.00 0.00 C ATOM 1175 C LYS A 90 -4.586 -10.921 -13.068 1.00 0.00 C ATOM 1176 O LYS A 90 -5.326 -11.761 -13.542 1.00 0.00 O ATOM 1177 CB LYS A 90 -3.130 -10.599 -11.082 1.00 0.00 C ATOM 1178 CG LYS A 90 -4.280 -11.041 -10.171 1.00 0.00 C ATOM 1179 CD LYS A 90 -4.307 -12.569 -10.098 1.00 0.00 C ATOM 1180 CE LYS A 90 -5.027 -12.998 -8.820 1.00 0.00 C ATOM 1181 NZ LYS A 90 -6.227 -12.146 -8.588 1.00 0.00 N ATOM 0 H LYS A 90 -1.506 -10.196 -12.919 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.229 -12.394 -12.302 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.172 -10.838 -10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.155 -9.518 -11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.152 -10.620 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.229 -10.667 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.816 -12.978 -10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.291 -12.964 -10.107 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.325 -14.044 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.349 -12.921 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.903 -12.655 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.940 -11.263 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.677 -11.924 -9.499 1.00 0.00 H new ATOM 1195 N LEU A 91 -4.861 -9.649 -13.065 1.00 0.00 N ATOM 1196 CA LEU A 91 -6.130 -9.174 -13.661 1.00 0.00 C ATOM 1197 C LEU A 91 -6.084 -9.279 -15.181 1.00 0.00 C ATOM 1198 O LEU A 91 -6.950 -9.842 -15.819 1.00 0.00 O ATOM 1199 CB LEU A 91 -6.327 -7.699 -13.273 1.00 0.00 C ATOM 1200 CG LEU A 91 -4.981 -6.964 -13.359 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -5.130 -5.735 -14.257 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -4.563 -6.512 -11.958 1.00 0.00 C ATOM 0 H LEU A 91 -4.261 -8.922 -12.676 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.950 -9.789 -13.291 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.053 -7.231 -13.938 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.729 -7.628 -12.262 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.226 -7.632 -13.773 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.176 -5.212 -14.319 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.438 -6.048 -15.255 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.883 -5.067 -13.838 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.608 -5.990 -12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.320 -5.842 -11.551 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.463 -7.382 -11.310 1.00 0.00 H new TER 1214 LEU A 91 HETATM 1215 MG MG A 601 7.724 10.676 -10.144 1.00 0.00 MG