USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 905 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 95 GLN : amide:sc= -3.37! C(o=-9.3!,f=-8.9!) USER MOD Set 1.2: A 96 GLN : amide:sc= -5.97! C(o=-9.3!,f=-10!) USER MOD Set 2.1: A 37 ASN :FLIP amide:sc= -1.1 F(o=-11!,f=-9.2) USER MOD Set 2.2: A 68 GLN : amide:sc= -8.11! C(o=-9.2!,f=-21!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 100:sc= -2.69 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 90:sc= -5.05! USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 140:sc= -0.0306 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -149:sc= -0.214 (180deg=-1.12) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0.906 (180deg=0.906) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -0.219 (180deg=-1.06) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0582 F(o=-1.3,f=-0.058) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -10.2! C(o=-13!,f=-10!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 169:sc= -12.1! (180deg=-12.1!) USER MOD Single : A 82 THR OG1 : rot 90:sc= -1.17 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.223 F(o=-3.1!,f=-0.22) USER MOD Single : A 85 SER OG : rot 3:sc= 0.54 USER MOD Single : A 92 SER OG : rot 83:sc= 1.26 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot -145:sc= -1.25 USER MOD Single : A 104 LYS NZ :NH3+ 160:sc= 0.125 (180deg=0.0655) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 4 10.445 -10.229 -3.327 1.00 0.00 N ATOM 62 CA GLY A 4 10.213 -8.894 -2.805 1.00 0.00 C ATOM 63 C GLY A 4 9.504 -7.996 -3.800 1.00 0.00 C ATOM 64 O GLY A 4 10.102 -7.558 -4.783 1.00 0.00 O ATOM 0 HA2 GLY A 4 9.618 -8.962 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.167 -8.444 -2.530 1.00 0.00 H new ATOM 68 N ILE A 5 8.225 -7.727 -3.557 1.00 0.00 N ATOM 69 CA ILE A 5 7.444 -6.880 -4.458 1.00 0.00 C ATOM 70 C ILE A 5 6.630 -5.821 -3.710 1.00 0.00 C ATOM 71 O ILE A 5 5.686 -6.141 -2.992 1.00 0.00 O ATOM 72 CB ILE A 5 6.485 -7.729 -5.309 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.238 -8.903 -5.938 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.821 -6.872 -6.380 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.853 -10.247 -5.357 1.00 0.00 C ATOM 0 H ILE A 5 7.709 -8.079 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 5 8.165 -6.370 -5.097 1.00 0.00 H new ATOM 0 HB ILE A 5 5.702 -8.128 -4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.049 -8.912 -7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.309 -8.751 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.146 -7.489 -6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.257 -6.069 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.585 -6.444 -7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.425 -11.033 -5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.068 -10.256 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.788 -10.420 -5.515 1.00 0.00 H new ATOM 87 N VAL A 6 6.988 -4.553 -3.898 1.00 0.00 N ATOM 88 CA VAL A 6 6.272 -3.456 -3.249 1.00 0.00 C ATOM 89 C VAL A 6 5.503 -2.614 -4.264 1.00 0.00 C ATOM 90 O VAL A 6 6.077 -2.100 -5.220 1.00 0.00 O ATOM 91 CB VAL A 6 7.228 -2.528 -2.468 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.116 -1.751 -3.423 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.446 -1.567 -1.585 1.00 0.00 C ATOM 0 H VAL A 6 7.765 -4.260 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 6 5.573 -3.920 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 6 7.857 -3.151 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.783 -1.103 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.707 -2.447 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.497 -1.144 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.140 -0.923 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.791 -0.955 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.847 -2.134 -0.872 1.00 0.00 H new ATOM 103 N TRP A 7 4.207 -2.453 -4.033 1.00 0.00 N ATOM 104 CA TRP A 7 3.375 -1.642 -4.913 1.00 0.00 C ATOM 105 C TRP A 7 2.870 -0.431 -4.140 1.00 0.00 C ATOM 106 O TRP A 7 2.381 -0.559 -3.019 1.00 0.00 O ATOM 107 CB TRP A 7 2.226 -2.471 -5.490 1.00 0.00 C ATOM 108 CG TRP A 7 2.641 -3.263 -6.694 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.920 -3.562 -7.070 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.787 -3.865 -7.672 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.915 -4.281 -8.237 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.618 -4.490 -8.621 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.403 -3.931 -7.843 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.108 -5.170 -9.723 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.102 -4.609 -8.935 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.749 -5.222 -9.863 1.00 0.00 C ATOM 0 H TRP A 7 3.710 -2.871 -3.247 1.00 0.00 H new ATOM 0 HA TRP A 7 3.965 -1.292 -5.760 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.851 -3.149 -4.724 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.404 -1.809 -5.760 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.807 -3.273 -6.526 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.742 -4.607 -8.737 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.261 -3.460 -7.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.763 -5.640 -10.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.171 -4.667 -9.076 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.323 -5.746 -10.706 1.00 0.00 H new ATOM 127 N VAL A 8 3.053 0.752 -4.713 1.00 0.00 N ATOM 128 CA VAL A 8 2.680 1.987 -4.033 1.00 0.00 C ATOM 129 C VAL A 8 1.701 2.841 -4.834 1.00 0.00 C ATOM 130 O VAL A 8 1.777 2.920 -6.056 1.00 0.00 O ATOM 131 CB VAL A 8 3.935 2.842 -3.734 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.761 3.622 -2.439 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.200 1.978 -3.680 1.00 0.00 C ATOM 0 H VAL A 8 3.455 0.883 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 8 2.188 1.680 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 8 4.053 3.554 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.655 4.216 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.898 4.283 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.605 2.927 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.063 2.609 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.096 1.230 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.342 1.480 -4.639 1.00 0.00 H new ATOM 143 N VAL A 9 0.796 3.506 -4.124 1.00 0.00 N ATOM 144 CA VAL A 9 -0.177 4.388 -4.759 1.00 0.00 C ATOM 145 C VAL A 9 -0.292 5.701 -3.991 1.00 0.00 C ATOM 146 O VAL A 9 -0.887 5.743 -2.916 1.00 0.00 O ATOM 147 CB VAL A 9 -1.584 3.755 -4.873 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.168 4.013 -6.255 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.548 2.267 -4.578 1.00 0.00 C ATOM 0 H VAL A 9 0.716 3.451 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 9 0.194 4.567 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.225 4.224 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.158 3.562 -6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.246 5.087 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.518 3.575 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.553 1.854 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.888 1.771 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.178 2.106 -3.566 1.00 0.00 H new ATOM 159 N ASP A 10 0.278 6.768 -4.561 1.00 0.00 N ATOM 160 CA ASP A 10 0.247 8.102 -3.951 1.00 0.00 C ATOM 161 C ASP A 10 1.225 9.039 -4.656 1.00 0.00 C ATOM 162 O ASP A 10 2.425 8.779 -4.700 1.00 0.00 O ATOM 163 CB ASP A 10 0.592 8.047 -2.459 1.00 0.00 C ATOM 164 CG ASP A 10 0.286 9.354 -1.742 1.00 0.00 C ATOM 165 OD1 ASP A 10 -0.161 10.308 -2.413 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.491 9.424 -0.507 1.00 0.00 O ATOM 0 H ASP A 10 0.771 6.732 -5.453 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.769 8.482 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.032 7.239 -1.989 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.650 7.811 -2.342 1.00 0.00 H new ATOM 171 N ASP A 11 0.702 10.130 -5.197 1.00 0.00 N ATOM 172 CA ASP A 11 1.512 11.128 -5.898 1.00 0.00 C ATOM 173 C ASP A 11 2.030 10.612 -7.243 1.00 0.00 C ATOM 174 O ASP A 11 2.193 11.387 -8.184 1.00 0.00 O ATOM 175 CB ASP A 11 2.682 11.579 -5.022 1.00 0.00 C ATOM 176 CG ASP A 11 2.698 13.082 -4.807 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.963 13.819 -5.780 1.00 0.00 O ATOM 178 OD2 ASP A 11 2.444 13.521 -3.665 1.00 0.00 O ATOM 0 H ASP A 11 -0.293 10.352 -5.165 1.00 0.00 H new ATOM 0 HA ASP A 11 0.864 11.981 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.624 11.077 -4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.619 11.271 -5.485 1.00 0.00 H new ATOM 183 N ASP A 12 2.293 9.307 -7.334 1.00 0.00 N ATOM 184 CA ASP A 12 2.795 8.712 -8.569 1.00 0.00 C ATOM 185 C ASP A 12 4.270 9.087 -8.786 1.00 0.00 C ATOM 186 O ASP A 12 5.067 9.002 -7.853 1.00 0.00 O ATOM 187 CB ASP A 12 1.921 9.143 -9.755 1.00 0.00 C ATOM 188 CG ASP A 12 1.971 8.153 -10.903 1.00 0.00 C ATOM 189 OD1 ASP A 12 3.036 8.041 -11.545 1.00 0.00 O ATOM 190 OD2 ASP A 12 0.945 7.488 -11.159 1.00 0.00 O ATOM 0 H ASP A 12 2.166 8.645 -6.568 1.00 0.00 H new ATOM 0 HA ASP A 12 2.741 7.626 -8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.890 9.255 -9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.249 10.121 -10.108 1.00 0.00 H new ATOM 195 N SER A 13 4.626 9.491 -10.013 1.00 0.00 N ATOM 196 CA SER A 13 6.001 9.875 -10.361 1.00 0.00 C ATOM 197 C SER A 13 6.843 10.259 -9.149 1.00 0.00 C ATOM 198 O SER A 13 7.895 9.674 -8.894 1.00 0.00 O ATOM 199 CB SER A 13 5.976 11.041 -11.349 1.00 0.00 C ATOM 200 OG SER A 13 7.289 11.447 -11.693 1.00 0.00 O ATOM 0 H SER A 13 3.970 9.561 -10.791 1.00 0.00 H new ATOM 0 HA SER A 13 6.467 8.998 -10.810 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.435 10.748 -12.249 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.435 11.880 -10.912 1.00 0.00 H new ATOM 0 HG SER A 13 7.245 12.193 -12.327 1.00 0.00 H new ATOM 206 N SER A 14 6.374 11.254 -8.420 1.00 0.00 N ATOM 207 CA SER A 14 7.079 11.748 -7.240 1.00 0.00 C ATOM 208 C SER A 14 7.396 10.615 -6.271 1.00 0.00 C ATOM 209 O SER A 14 8.558 10.238 -6.099 1.00 0.00 O ATOM 210 CB SER A 14 6.242 12.817 -6.537 1.00 0.00 C ATOM 211 OG SER A 14 6.289 14.044 -7.244 1.00 0.00 O ATOM 0 H SER A 14 5.502 11.743 -8.622 1.00 0.00 H new ATOM 0 HA SER A 14 8.021 12.186 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.209 12.480 -6.455 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.611 12.964 -5.522 1.00 0.00 H new ATOM 0 HG SER A 14 5.745 14.712 -6.777 1.00 0.00 H new ATOM 217 N ILE A 15 6.361 10.076 -5.645 1.00 0.00 N ATOM 218 CA ILE A 15 6.526 8.986 -4.694 1.00 0.00 C ATOM 219 C ILE A 15 7.155 7.766 -5.367 1.00 0.00 C ATOM 220 O ILE A 15 7.718 6.897 -4.700 1.00 0.00 O ATOM 221 CB ILE A 15 5.172 8.608 -4.046 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.628 9.796 -3.245 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.316 7.382 -3.150 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.411 10.093 -1.983 1.00 0.00 C ATOM 0 H ILE A 15 5.395 10.376 -5.779 1.00 0.00 H new ATOM 0 HA ILE A 15 7.198 9.328 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 15 4.467 8.361 -4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.631 10.682 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.590 9.598 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.350 7.139 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.667 6.537 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.035 7.593 -2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.966 10.946 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.387 9.223 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.444 10.324 -2.242 1.00 0.00 H new ATOM 236 N ARG A 16 7.060 7.708 -6.692 1.00 0.00 N ATOM 237 CA ARG A 16 7.620 6.595 -7.452 1.00 0.00 C ATOM 238 C ARG A 16 9.145 6.647 -7.496 1.00 0.00 C ATOM 239 O ARG A 16 9.817 5.730 -7.029 1.00 0.00 O ATOM 240 CB ARG A 16 7.072 6.598 -8.879 1.00 0.00 C ATOM 241 CG ARG A 16 7.343 5.303 -9.630 1.00 0.00 C ATOM 242 CD ARG A 16 6.782 5.337 -11.043 1.00 0.00 C ATOM 243 NE ARG A 16 6.677 3.996 -11.616 1.00 0.00 N ATOM 244 CZ ARG A 16 6.643 3.746 -12.923 1.00 0.00 C ATOM 245 NH1 ARG A 16 6.695 4.740 -13.800 1.00 0.00 N ATOM 246 NH2 ARG A 16 6.551 2.494 -13.355 1.00 0.00 N ATOM 0 H ARG A 16 6.601 8.418 -7.262 1.00 0.00 H new ATOM 0 HA ARG A 16 7.325 5.677 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.997 6.774 -8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.515 7.428 -9.429 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.418 5.125 -9.671 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.902 4.468 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.798 5.806 -11.033 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.422 5.953 -11.674 1.00 0.00 H new ATOM 0 HE ARG A 16 6.627 3.204 -10.975 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.762 5.704 -13.474 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.668 4.540 -14.800 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.506 1.726 -12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.525 2.301 -14.356 1.00 0.00 H new ATOM 260 N TRP A 17 9.685 7.715 -8.073 1.00 0.00 N ATOM 261 CA TRP A 17 11.134 7.877 -8.198 1.00 0.00 C ATOM 262 C TRP A 17 11.856 7.586 -6.887 1.00 0.00 C ATOM 263 O TRP A 17 12.907 6.942 -6.876 1.00 0.00 O ATOM 264 CB TRP A 17 11.473 9.295 -8.661 1.00 0.00 C ATOM 265 CG TRP A 17 12.943 9.528 -8.852 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.706 9.118 -9.908 1.00 0.00 C ATOM 267 CD2 TRP A 17 13.827 10.221 -7.961 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.009 9.517 -9.730 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.110 10.195 -8.544 1.00 0.00 C ATOM 270 CE3 TRP A 17 13.659 10.863 -6.731 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.217 10.785 -7.937 1.00 0.00 C ATOM 272 CZ3 TRP A 17 14.760 11.447 -6.129 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.024 11.405 -6.734 1.00 0.00 C ATOM 0 H TRP A 17 9.142 8.485 -8.463 1.00 0.00 H new ATOM 0 HA TRP A 17 11.475 7.155 -8.940 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.957 9.495 -9.600 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.092 10.008 -7.930 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.339 8.562 -10.758 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.777 9.337 -10.377 1.00 0.00 H new ATOM 0 HE3 TRP A 17 12.688 10.903 -6.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.192 10.754 -8.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.643 11.943 -5.177 1.00 0.00 H new ATOM 0 HH2 TRP A 17 16.863 11.872 -6.239 1.00 0.00 H new ATOM 284 N VAL A 18 11.305 8.078 -5.789 1.00 0.00 N ATOM 285 CA VAL A 18 11.929 7.881 -4.488 1.00 0.00 C ATOM 286 C VAL A 18 11.901 6.425 -4.051 1.00 0.00 C ATOM 287 O VAL A 18 12.944 5.809 -3.832 1.00 0.00 O ATOM 288 CB VAL A 18 11.278 8.741 -3.383 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.307 9.105 -2.327 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.653 10.000 -3.956 1.00 0.00 C ATOM 0 H VAL A 18 10.436 8.612 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 18 12.964 8.197 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 18 10.485 8.150 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.836 9.711 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.708 8.195 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.117 9.670 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.204 10.582 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.421 10.595 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.884 9.728 -4.679 1.00 0.00 H new ATOM 300 N LEU A 19 10.704 5.892 -3.886 1.00 0.00 N ATOM 301 CA LEU A 19 10.535 4.518 -3.425 1.00 0.00 C ATOM 302 C LEU A 19 10.941 3.485 -4.473 1.00 0.00 C ATOM 303 O LEU A 19 11.226 2.341 -4.132 1.00 0.00 O ATOM 304 CB LEU A 19 9.090 4.267 -2.979 1.00 0.00 C ATOM 305 CG LEU A 19 8.934 3.272 -1.826 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.670 3.761 -0.587 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.462 3.047 -1.516 1.00 0.00 C ATOM 0 H LEU A 19 9.830 6.388 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 19 11.206 4.397 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.647 5.217 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.520 3.903 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 19 9.375 2.323 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.545 3.038 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.730 3.872 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.262 4.723 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.368 2.337 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.001 3.993 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.961 2.649 -2.398 1.00 0.00 H new ATOM 319 N GLU A 20 10.961 3.870 -5.740 1.00 0.00 N ATOM 320 CA GLU A 20 11.329 2.928 -6.792 1.00 0.00 C ATOM 321 C GLU A 20 12.796 2.529 -6.695 1.00 0.00 C ATOM 322 O GLU A 20 13.127 1.347 -6.611 1.00 0.00 O ATOM 323 CB GLU A 20 11.018 3.491 -8.187 1.00 0.00 C ATOM 324 CG GLU A 20 11.966 4.571 -8.685 1.00 0.00 C ATOM 325 CD GLU A 20 11.653 5.004 -10.105 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.554 4.676 -10.599 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.510 5.671 -10.723 1.00 0.00 O ATOM 0 H GLU A 20 10.732 4.810 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 20 10.723 2.034 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.026 2.668 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.006 3.896 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.908 5.435 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.990 4.202 -8.638 1.00 0.00 H new ATOM 334 N ARG A 21 13.666 3.521 -6.729 1.00 0.00 N ATOM 335 CA ARG A 21 15.104 3.282 -6.670 1.00 0.00 C ATOM 336 C ARG A 21 15.554 2.757 -5.306 1.00 0.00 C ATOM 337 O ARG A 21 16.186 1.704 -5.219 1.00 0.00 O ATOM 338 CB ARG A 21 15.866 4.564 -7.013 1.00 0.00 C ATOM 339 CG ARG A 21 15.683 5.013 -8.455 1.00 0.00 C ATOM 340 CD ARG A 21 16.947 4.808 -9.274 1.00 0.00 C ATOM 341 NE ARG A 21 17.942 5.847 -9.019 1.00 0.00 N ATOM 342 CZ ARG A 21 18.043 6.974 -9.722 1.00 0.00 C ATOM 343 NH1 ARG A 21 17.206 7.223 -10.722 1.00 0.00 N ATOM 344 NH2 ARG A 21 18.983 7.858 -9.421 1.00 0.00 N ATOM 0 H ARG A 21 13.405 4.505 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 21 15.331 2.510 -7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.536 5.362 -6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.928 4.408 -6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.862 4.457 -8.908 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.403 6.066 -8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.375 3.833 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.694 4.801 -10.334 1.00 0.00 H new ATOM 0 HE ARG A 21 18.601 5.700 -8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 21 16.478 6.549 -10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.291 8.089 -11.255 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.628 7.675 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.062 8.721 -9.958 1.00 0.00 H new ATOM 358 N ALA A 22 15.251 3.500 -4.248 1.00 0.00 N ATOM 359 CA ALA A 22 15.655 3.108 -2.900 1.00 0.00 C ATOM 360 C ALA A 22 15.193 1.704 -2.536 1.00 0.00 C ATOM 361 O ALA A 22 15.903 0.966 -1.853 1.00 0.00 O ATOM 362 CB ALA A 22 15.151 4.116 -1.878 1.00 0.00 C ATOM 0 H ALA A 22 14.729 4.375 -4.295 1.00 0.00 H new ATOM 0 HA ALA A 22 16.745 3.098 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.461 3.808 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.567 5.099 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.063 4.165 -1.921 1.00 0.00 H new ATOM 368 N LEU A 23 14.006 1.335 -2.985 1.00 0.00 N ATOM 369 CA LEU A 23 13.469 0.011 -2.689 1.00 0.00 C ATOM 370 C LEU A 23 14.183 -1.054 -3.508 1.00 0.00 C ATOM 371 O LEU A 23 14.293 -2.209 -3.090 1.00 0.00 O ATOM 372 CB LEU A 23 11.960 -0.034 -2.943 1.00 0.00 C ATOM 373 CG LEU A 23 11.192 -1.136 -2.204 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.141 -2.401 -3.044 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.804 -1.416 -0.837 1.00 0.00 C ATOM 0 H LEU A 23 13.397 1.925 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 23 13.642 -0.196 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.535 0.930 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.794 -0.157 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 23 10.172 -0.787 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.592 -3.174 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.639 -2.191 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.155 -2.747 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.237 -2.202 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.838 -1.737 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.776 -0.509 -0.233 1.00 0.00 H new ATOM 387 N ALA A 24 14.689 -0.657 -4.665 1.00 0.00 N ATOM 388 CA ALA A 24 15.416 -1.574 -5.519 1.00 0.00 C ATOM 389 C ALA A 24 16.733 -1.951 -4.858 1.00 0.00 C ATOM 390 O ALA A 24 17.218 -3.073 -5.006 1.00 0.00 O ATOM 391 CB ALA A 24 15.651 -0.959 -6.889 1.00 0.00 C ATOM 0 H ALA A 24 14.608 0.292 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 24 14.823 -2.478 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.198 -1.664 -7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.692 -0.729 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.231 -0.042 -6.782 1.00 0.00 H new ATOM 397 N GLY A 25 17.300 -1.007 -4.108 1.00 0.00 N ATOM 398 CA GLY A 25 18.543 -1.269 -3.414 1.00 0.00 C ATOM 399 C GLY A 25 18.367 -2.327 -2.343 1.00 0.00 C ATOM 400 O GLY A 25 19.317 -3.019 -1.977 1.00 0.00 O ATOM 0 H GLY A 25 16.920 -0.070 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.299 -1.595 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.909 -0.348 -2.961 1.00 0.00 H new ATOM 404 N ALA A 26 17.139 -2.448 -1.843 1.00 0.00 N ATOM 405 CA ALA A 26 16.821 -3.425 -0.815 1.00 0.00 C ATOM 406 C ALA A 26 16.703 -4.827 -1.406 1.00 0.00 C ATOM 407 O ALA A 26 16.734 -5.820 -0.680 1.00 0.00 O ATOM 408 CB ALA A 26 15.531 -3.040 -0.109 1.00 0.00 C ATOM 0 H ALA A 26 16.347 -1.876 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 26 17.635 -3.433 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.302 -3.779 0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.648 -2.060 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.717 -3.005 -0.833 1.00 0.00 H new ATOM 414 N GLY A 27 16.582 -4.902 -2.730 1.00 0.00 N ATOM 415 CA GLY A 27 16.480 -6.188 -3.390 1.00 0.00 C ATOM 416 C GLY A 27 15.060 -6.561 -3.771 1.00 0.00 C ATOM 417 O GLY A 27 14.749 -7.745 -3.896 1.00 0.00 O ATOM 0 H GLY A 27 16.553 -4.096 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.098 -6.177 -4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.886 -6.958 -2.734 1.00 0.00 H new ATOM 421 N LEU A 28 14.190 -5.569 -3.961 1.00 0.00 N ATOM 422 CA LEU A 28 12.813 -5.850 -4.331 1.00 0.00 C ATOM 423 C LEU A 28 12.333 -4.938 -5.462 1.00 0.00 C ATOM 424 O LEU A 28 13.074 -4.078 -5.937 1.00 0.00 O ATOM 425 CB LEU A 28 11.888 -5.737 -3.115 1.00 0.00 C ATOM 426 CG LEU A 28 12.574 -5.791 -1.747 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.941 -4.397 -1.273 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.678 -6.478 -0.729 1.00 0.00 C ATOM 0 H LEU A 28 14.415 -4.579 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 28 12.777 -6.876 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.337 -4.799 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.155 -6.542 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 28 13.492 -6.370 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.427 -4.460 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.622 -3.937 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.038 -3.792 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.181 -6.508 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.744 -5.925 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.466 -7.495 -1.059 1.00 0.00 H new ATOM 440 N THR A 29 11.090 -5.146 -5.895 1.00 0.00 N ATOM 441 CA THR A 29 10.509 -4.353 -6.982 1.00 0.00 C ATOM 442 C THR A 29 9.495 -3.348 -6.446 1.00 0.00 C ATOM 443 O THR A 29 8.585 -3.710 -5.705 1.00 0.00 O ATOM 444 CB THR A 29 9.848 -5.275 -8.015 1.00 0.00 C ATOM 445 OG1 THR A 29 10.835 -5.938 -8.791 1.00 0.00 O ATOM 446 CG2 THR A 29 8.913 -4.552 -8.967 1.00 0.00 C ATOM 0 H THR A 29 10.465 -5.855 -5.512 1.00 0.00 H new ATOM 0 HA THR A 29 11.313 -3.798 -7.465 1.00 0.00 H new ATOM 0 HB THR A 29 9.257 -5.983 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.398 -6.524 -9.444 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.483 -5.267 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.114 -4.075 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.470 -3.794 -9.518 1.00 0.00 H new ATOM 454 N CYS A 30 9.666 -2.083 -6.825 1.00 0.00 N ATOM 455 CA CYS A 30 8.775 -1.016 -6.375 1.00 0.00 C ATOM 456 C CYS A 30 8.139 -0.273 -7.545 1.00 0.00 C ATOM 457 O CYS A 30 8.812 0.441 -8.286 1.00 0.00 O ATOM 458 CB CYS A 30 9.550 -0.035 -5.496 1.00 0.00 C ATOM 459 SG CYS A 30 8.586 1.390 -4.936 1.00 0.00 S ATOM 0 H CYS A 30 10.415 -1.772 -7.444 1.00 0.00 H new ATOM 0 HA CYS A 30 7.970 -1.475 -5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.928 -0.568 -4.624 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.417 0.324 -6.050 1.00 0.00 H new ATOM 0 HG CYS A 30 8.186 1.191 -3.715 1.00 0.00 H new ATOM 465 N THR A 31 6.825 -0.426 -7.676 1.00 0.00 N ATOM 466 CA THR A 31 6.068 0.249 -8.721 1.00 0.00 C ATOM 467 C THR A 31 5.032 1.157 -8.064 1.00 0.00 C ATOM 468 O THR A 31 4.651 0.927 -6.917 1.00 0.00 O ATOM 469 CB THR A 31 5.383 -0.770 -9.641 1.00 0.00 C ATOM 470 OG1 THR A 31 5.059 -0.175 -10.889 1.00 0.00 O ATOM 471 CG2 THR A 31 4.109 -1.333 -9.056 1.00 0.00 C ATOM 0 H THR A 31 6.260 -1.017 -7.066 1.00 0.00 H new ATOM 0 HA THR A 31 6.745 0.844 -9.334 1.00 0.00 H new ATOM 0 HB THR A 31 6.098 -1.583 -9.765 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.624 -0.838 -11.465 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.673 -2.047 -9.754 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.332 -1.836 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.402 -0.523 -8.876 1.00 0.00 H new ATOM 479 N THR A 32 4.587 2.191 -8.766 1.00 0.00 N ATOM 480 CA THR A 32 3.612 3.107 -8.188 1.00 0.00 C ATOM 481 C THR A 32 2.467 3.432 -9.134 1.00 0.00 C ATOM 482 O THR A 32 2.569 3.267 -10.350 1.00 0.00 O ATOM 483 CB THR A 32 4.296 4.395 -7.756 1.00 0.00 C ATOM 484 OG1 THR A 32 4.781 5.107 -8.880 1.00 0.00 O ATOM 485 CG2 THR A 32 5.452 4.147 -6.819 1.00 0.00 C ATOM 0 H THR A 32 4.878 2.414 -9.718 1.00 0.00 H new ATOM 0 HA THR A 32 3.182 2.599 -7.324 1.00 0.00 H new ATOM 0 HB THR A 32 3.539 4.979 -7.232 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.087 5.719 -9.204 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.906 5.098 -6.541 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.092 3.641 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.195 3.522 -7.315 1.00 0.00 H new ATOM 493 N PHE A 33 1.376 3.905 -8.543 1.00 0.00 N ATOM 494 CA PHE A 33 0.179 4.278 -9.281 1.00 0.00 C ATOM 495 C PHE A 33 -0.370 5.610 -8.769 1.00 0.00 C ATOM 496 O PHE A 33 0.146 6.177 -7.806 1.00 0.00 O ATOM 497 CB PHE A 33 -0.892 3.195 -9.192 1.00 0.00 C ATOM 498 CG PHE A 33 -0.396 1.800 -9.464 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.531 1.200 -8.624 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.873 1.082 -10.548 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.971 -0.085 -8.867 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.437 -0.204 -10.794 1.00 0.00 C ATOM 503 CZ PHE A 33 0.487 -0.790 -9.952 1.00 0.00 C ATOM 0 H PHE A 33 1.298 4.040 -7.535 1.00 0.00 H new ATOM 0 HA PHE A 33 0.456 4.389 -10.329 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.335 3.221 -8.196 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.686 3.429 -9.901 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.912 1.744 -7.772 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.596 1.535 -11.210 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.695 -0.540 -8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.818 -0.751 -11.644 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.830 -1.796 -10.141 1.00 0.00 H new ATOM 513 N GLU A 34 -1.394 6.119 -9.443 1.00 0.00 N ATOM 514 CA GLU A 34 -1.995 7.401 -9.099 1.00 0.00 C ATOM 515 C GLU A 34 -2.561 7.436 -7.664 1.00 0.00 C ATOM 516 O GLU A 34 -1.802 7.554 -6.702 1.00 0.00 O ATOM 517 CB GLU A 34 -3.096 7.711 -10.120 1.00 0.00 C ATOM 518 CG GLU A 34 -4.012 6.524 -10.399 1.00 0.00 C ATOM 519 CD GLU A 34 -5.488 6.856 -10.282 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.868 8.006 -10.586 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.263 5.958 -9.880 1.00 0.00 O ATOM 0 H GLU A 34 -1.830 5.656 -10.241 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.215 8.161 -9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.695 8.546 -9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.635 8.033 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.811 6.148 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.773 5.720 -9.704 1.00 0.00 H new ATOM 528 N ASN A 35 -3.885 7.372 -7.524 1.00 0.00 N ATOM 529 CA ASN A 35 -4.527 7.437 -6.218 1.00 0.00 C ATOM 530 C ASN A 35 -4.579 6.082 -5.544 1.00 0.00 C ATOM 531 O ASN A 35 -4.013 5.886 -4.468 1.00 0.00 O ATOM 532 CB ASN A 35 -5.942 8.003 -6.354 1.00 0.00 C ATOM 533 CG ASN A 35 -6.364 8.803 -5.137 1.00 0.00 C ATOM 534 OD1 ASN A 35 -6.293 8.182 -3.965 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -6.752 9.966 -5.250 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.534 7.275 -8.305 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.926 8.097 -5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.993 8.638 -7.238 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.645 7.184 -6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.790 10.404 -6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.035 10.492 -4.423 1.00 0.00 H new ATOM 542 N GLY A 36 -5.262 5.153 -6.180 1.00 0.00 N ATOM 543 CA GLY A 36 -5.382 3.824 -5.625 1.00 0.00 C ATOM 544 C GLY A 36 -6.132 2.869 -6.529 1.00 0.00 C ATOM 545 O GLY A 36 -5.792 1.689 -6.607 1.00 0.00 O ATOM 0 H GLY A 36 -5.737 5.292 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.386 3.426 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.893 3.883 -4.664 1.00 0.00 H new ATOM 549 N ASN A 37 -7.157 3.369 -7.210 1.00 0.00 N ATOM 550 CA ASN A 37 -7.946 2.530 -8.100 1.00 0.00 C ATOM 551 C ASN A 37 -7.071 1.945 -9.199 1.00 0.00 C ATOM 552 O ASN A 37 -7.332 0.852 -9.703 1.00 0.00 O ATOM 553 CB ASN A 37 -9.109 3.318 -8.706 1.00 0.00 C ATOM 554 CG ASN A 37 -10.391 3.165 -7.905 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.011 1.991 -7.990 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -10.821 4.092 -7.218 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.458 4.342 -7.163 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.360 1.710 -7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.841 4.373 -8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.280 2.980 -9.728 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.314 4.977 -7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.684 3.975 -6.686 1.00 0.00 H new ATOM 563 N GLU A 38 -6.027 2.681 -9.561 1.00 0.00 N ATOM 564 CA GLU A 38 -5.103 2.243 -10.596 1.00 0.00 C ATOM 565 C GLU A 38 -4.537 0.854 -10.289 1.00 0.00 C ATOM 566 O GLU A 38 -4.647 -0.052 -11.115 1.00 0.00 O ATOM 567 CB GLU A 38 -3.979 3.261 -10.741 1.00 0.00 C ATOM 568 CG GLU A 38 -3.191 3.139 -12.036 1.00 0.00 C ATOM 569 CD GLU A 38 -3.473 4.275 -12.999 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.658 4.504 -13.316 1.00 0.00 O ATOM 571 OE2 GLU A 38 -2.507 4.939 -13.432 1.00 0.00 O ATOM 0 H GLU A 38 -5.800 3.587 -9.151 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.648 2.171 -11.537 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.402 4.264 -10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.294 3.152 -9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.125 3.117 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.434 2.191 -12.517 1.00 0.00 H new ATOM 578 N VAL A 39 -3.939 0.674 -9.103 1.00 0.00 N ATOM 579 CA VAL A 39 -3.383 -0.636 -8.743 1.00 0.00 C ATOM 580 C VAL A 39 -4.395 -1.741 -8.991 1.00 0.00 C ATOM 581 O VAL A 39 -4.074 -2.785 -9.553 1.00 0.00 O ATOM 582 CB VAL A 39 -2.973 -0.716 -7.266 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.111 -1.941 -7.023 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.240 0.529 -6.840 1.00 0.00 C ATOM 0 H VAL A 39 -3.830 1.399 -8.394 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.501 -0.764 -9.371 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.880 -0.798 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.828 -1.984 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.672 -2.838 -7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.213 -1.882 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.961 0.446 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.341 0.647 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.886 1.396 -6.976 1.00 0.00 H new ATOM 594 N LEU A 40 -5.621 -1.494 -8.550 1.00 0.00 N ATOM 595 CA LEU A 40 -6.708 -2.456 -8.699 1.00 0.00 C ATOM 596 C LEU A 40 -6.765 -3.012 -10.117 1.00 0.00 C ATOM 597 O LEU A 40 -6.937 -4.214 -10.317 1.00 0.00 O ATOM 598 CB LEU A 40 -8.043 -1.803 -8.342 1.00 0.00 C ATOM 599 CG LEU A 40 -8.054 -1.017 -7.028 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.412 -0.390 -6.794 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.694 -1.912 -5.856 1.00 0.00 C ATOM 0 H LEU A 40 -5.890 -0.629 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.518 -3.284 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.328 -1.131 -9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.806 -2.579 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.306 -0.228 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.400 0.164 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.645 0.290 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.170 -1.172 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.709 -1.329 -4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.417 -2.724 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.697 -2.326 -6.007 1.00 0.00 H new ATOM 613 N ALA A 41 -6.615 -2.131 -11.097 1.00 0.00 N ATOM 614 CA ALA A 41 -6.645 -2.539 -12.493 1.00 0.00 C ATOM 615 C ALA A 41 -5.511 -3.503 -12.796 1.00 0.00 C ATOM 616 O ALA A 41 -5.710 -4.553 -13.407 1.00 0.00 O ATOM 617 CB ALA A 41 -6.562 -1.319 -13.394 1.00 0.00 C ATOM 0 H ALA A 41 -6.472 -1.132 -10.951 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.587 -3.053 -12.684 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.585 -1.635 -14.437 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.408 -0.661 -13.195 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.633 -0.784 -13.197 1.00 0.00 H new ATOM 623 N ALA A 42 -4.324 -3.129 -12.357 1.00 0.00 N ATOM 624 CA ALA A 42 -3.132 -3.940 -12.563 1.00 0.00 C ATOM 625 C ALA A 42 -3.190 -5.220 -11.738 1.00 0.00 C ATOM 626 O ALA A 42 -2.731 -6.275 -12.175 1.00 0.00 O ATOM 627 CB ALA A 42 -1.887 -3.140 -12.205 1.00 0.00 C ATOM 0 H ALA A 42 -4.156 -2.260 -11.850 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.087 -4.218 -13.616 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.001 -3.755 -12.363 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.830 -2.254 -12.837 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.937 -2.837 -11.159 1.00 0.00 H new ATOM 633 N LEU A 43 -3.753 -5.115 -10.541 1.00 0.00 N ATOM 634 CA LEU A 43 -3.870 -6.256 -9.644 1.00 0.00 C ATOM 635 C LEU A 43 -4.686 -7.373 -10.278 1.00 0.00 C ATOM 636 O LEU A 43 -4.544 -8.542 -9.918 1.00 0.00 O ATOM 637 CB LEU A 43 -4.512 -5.827 -8.327 1.00 0.00 C ATOM 638 CG LEU A 43 -3.543 -5.263 -7.290 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.236 -4.251 -6.393 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.959 -6.390 -6.463 1.00 0.00 C ATOM 0 H LEU A 43 -4.137 -4.247 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.867 -6.634 -9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.272 -5.075 -8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.025 -6.686 -7.894 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.736 -4.751 -7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.525 -3.864 -5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.618 -3.429 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.064 -4.733 -5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.269 -5.980 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.763 -6.921 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.425 -7.081 -7.115 1.00 0.00 H new ATOM 652 N ALA A 44 -5.542 -7.005 -11.221 1.00 0.00 N ATOM 653 CA ALA A 44 -6.388 -7.971 -11.910 1.00 0.00 C ATOM 654 C ALA A 44 -5.571 -9.121 -12.495 1.00 0.00 C ATOM 655 O ALA A 44 -6.102 -10.202 -12.749 1.00 0.00 O ATOM 656 CB ALA A 44 -7.184 -7.279 -13.007 1.00 0.00 C ATOM 0 H ALA A 44 -5.670 -6.041 -11.528 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.076 -8.394 -11.178 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.813 -8.009 -13.516 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.811 -6.503 -12.567 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.499 -6.828 -13.724 1.00 0.00 H new ATOM 662 N SER A 45 -4.284 -8.880 -12.714 1.00 0.00 N ATOM 663 CA SER A 45 -3.408 -9.892 -13.278 1.00 0.00 C ATOM 664 C SER A 45 -2.124 -10.067 -12.463 1.00 0.00 C ATOM 665 O SER A 45 -1.211 -10.774 -12.887 1.00 0.00 O ATOM 666 CB SER A 45 -3.060 -9.540 -14.725 1.00 0.00 C ATOM 667 OG SER A 45 -3.760 -10.371 -15.636 1.00 0.00 O ATOM 0 H SER A 45 -3.827 -7.992 -12.509 1.00 0.00 H new ATOM 0 HA SER A 45 -3.948 -10.839 -13.248 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.306 -8.496 -14.918 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.987 -9.648 -14.881 1.00 0.00 H new ATOM 0 HG SER A 45 -3.521 -10.124 -16.554 1.00 0.00 H new ATOM 673 N LYS A 46 -2.051 -9.429 -11.296 1.00 0.00 N ATOM 674 CA LYS A 46 -0.870 -9.537 -10.451 1.00 0.00 C ATOM 675 C LYS A 46 -1.198 -9.202 -8.999 1.00 0.00 C ATOM 676 O LYS A 46 -2.233 -8.606 -8.705 1.00 0.00 O ATOM 677 CB LYS A 46 0.241 -8.616 -10.965 1.00 0.00 C ATOM 678 CG LYS A 46 1.608 -9.283 -11.021 1.00 0.00 C ATOM 679 CD LYS A 46 2.584 -8.645 -10.042 1.00 0.00 C ATOM 680 CE LYS A 46 3.893 -9.419 -9.972 1.00 0.00 C ATOM 681 NZ LYS A 46 5.080 -8.529 -10.114 1.00 0.00 N ATOM 0 H LYS A 46 -2.791 -8.837 -10.919 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.523 -10.569 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.023 -8.263 -11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.300 -7.738 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.505 -10.344 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.007 -9.211 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.784 -7.617 -10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.132 -8.603 -9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.950 -9.949 -9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.910 -10.173 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.949 -9.098 -10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.041 -8.042 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.080 -7.825 -9.349 1.00 0.00 H new ATOM 695 N THR A 47 -0.305 -9.595 -8.094 1.00 0.00 N ATOM 696 CA THR A 47 -0.486 -9.342 -6.675 1.00 0.00 C ATOM 697 C THR A 47 0.827 -8.907 -6.024 1.00 0.00 C ATOM 698 O THR A 47 1.798 -9.663 -6.015 1.00 0.00 O ATOM 699 CB THR A 47 -1.017 -10.598 -5.976 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.296 -10.957 -6.473 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.132 -10.445 -4.473 1.00 0.00 C ATOM 0 H THR A 47 0.555 -10.093 -8.325 1.00 0.00 H new ATOM 0 HA THR A 47 -1.211 -8.535 -6.567 1.00 0.00 H new ATOM 0 HB THR A 47 -0.283 -11.374 -6.192 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.612 -11.762 -6.012 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.514 -11.370 -4.041 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.150 -10.227 -4.053 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.815 -9.628 -4.242 1.00 0.00 H new ATOM 709 N PRO A 48 0.878 -7.685 -5.460 1.00 0.00 N ATOM 710 CA PRO A 48 2.084 -7.180 -4.803 1.00 0.00 C ATOM 711 C PRO A 48 2.381 -7.910 -3.502 1.00 0.00 C ATOM 712 O PRO A 48 1.481 -8.451 -2.857 1.00 0.00 O ATOM 713 CB PRO A 48 1.750 -5.715 -4.519 1.00 0.00 C ATOM 714 CG PRO A 48 0.266 -5.678 -4.433 1.00 0.00 C ATOM 715 CD PRO A 48 -0.224 -6.708 -5.411 1.00 0.00 C ATOM 0 HA PRO A 48 2.970 -7.319 -5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.209 -5.377 -3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.117 -5.064 -5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.073 -5.905 -3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.116 -4.688 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.154 -7.168 -5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.418 -6.271 -6.391 1.00 0.00 H new ATOM 723 N ASP A 49 3.647 -7.908 -3.116 1.00 0.00 N ATOM 724 CA ASP A 49 4.077 -8.554 -1.885 1.00 0.00 C ATOM 725 C ASP A 49 3.761 -7.652 -0.696 1.00 0.00 C ATOM 726 O ASP A 49 3.452 -8.124 0.399 1.00 0.00 O ATOM 727 CB ASP A 49 5.579 -8.849 -1.964 1.00 0.00 C ATOM 728 CG ASP A 49 6.165 -9.365 -0.669 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.392 -9.821 0.200 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.406 -9.310 -0.529 1.00 0.00 O ATOM 0 H ASP A 49 4.400 -7.463 -3.641 1.00 0.00 H new ATOM 0 HA ASP A 49 3.544 -9.495 -1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.755 -9.583 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.105 -7.939 -2.253 1.00 0.00 H new ATOM 735 N VAL A 50 3.833 -6.346 -0.935 1.00 0.00 N ATOM 736 CA VAL A 50 3.551 -5.345 0.086 1.00 0.00 C ATOM 737 C VAL A 50 3.003 -4.078 -0.574 1.00 0.00 C ATOM 738 O VAL A 50 3.764 -3.238 -1.049 1.00 0.00 O ATOM 739 CB VAL A 50 4.822 -5.008 0.881 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.918 -4.552 -0.063 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.542 -3.950 1.933 1.00 0.00 C ATOM 0 H VAL A 50 4.088 -5.953 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 50 2.809 -5.749 0.774 1.00 0.00 H new ATOM 0 HB VAL A 50 5.156 -5.908 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.815 -4.315 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.140 -5.348 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.587 -3.665 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.458 -3.730 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.182 -3.042 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.784 -4.317 2.625 1.00 0.00 H new ATOM 751 N LEU A 51 1.678 -3.965 -0.634 1.00 0.00 N ATOM 752 CA LEU A 51 1.034 -2.821 -1.278 1.00 0.00 C ATOM 753 C LEU A 51 0.895 -1.612 -0.352 1.00 0.00 C ATOM 754 O LEU A 51 0.819 -1.741 0.869 1.00 0.00 O ATOM 755 CB LEU A 51 -0.345 -3.230 -1.807 1.00 0.00 C ATOM 756 CG LEU A 51 -1.139 -2.120 -2.502 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.546 -1.810 -3.868 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.604 -2.516 -2.636 1.00 0.00 C ATOM 0 H LEU A 51 1.030 -4.650 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 51 1.680 -2.517 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.216 -4.055 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.937 -3.609 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.078 -1.221 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.125 -1.019 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.487 -1.483 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.575 -2.705 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.153 -1.716 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.682 -3.429 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.027 -2.687 -1.646 1.00 0.00 H new ATOM 770 N LEU A 52 0.843 -0.435 -0.976 1.00 0.00 N ATOM 771 CA LEU A 52 0.688 0.841 -0.278 1.00 0.00 C ATOM 772 C LEU A 52 -0.326 1.698 -1.037 1.00 0.00 C ATOM 773 O LEU A 52 -0.071 2.072 -2.178 1.00 0.00 O ATOM 774 CB LEU A 52 2.024 1.589 -0.226 1.00 0.00 C ATOM 775 CG LEU A 52 3.053 1.087 0.788 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.453 1.110 0.177 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.012 1.935 2.052 1.00 0.00 C ATOM 0 H LEU A 52 0.908 -0.340 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 52 0.347 0.650 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.475 1.549 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.819 2.638 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 52 2.806 0.059 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.176 0.750 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.477 0.467 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.707 2.130 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.750 1.564 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.238 2.972 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.019 1.877 2.497 1.00 0.00 H new ATOM 789 N SER A 53 -1.479 1.995 -0.432 1.00 0.00 N ATOM 790 CA SER A 53 -2.504 2.787 -1.121 1.00 0.00 C ATOM 791 C SER A 53 -2.655 4.199 -0.557 1.00 0.00 C ATOM 792 O SER A 53 -2.445 4.443 0.636 1.00 0.00 O ATOM 793 CB SER A 53 -3.854 2.070 -1.073 1.00 0.00 C ATOM 794 OG SER A 53 -4.724 2.555 -2.080 1.00 0.00 O ATOM 0 H SER A 53 -1.725 1.706 0.515 1.00 0.00 H new ATOM 0 HA SER A 53 -2.168 2.887 -2.153 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.705 0.998 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.311 2.213 -0.094 1.00 0.00 H new ATOM 0 HG SER A 53 -5.220 1.806 -2.472 1.00 0.00 H new ATOM 800 N ASP A 54 -3.034 5.122 -1.444 1.00 0.00 N ATOM 801 CA ASP A 54 -3.233 6.519 -1.074 1.00 0.00 C ATOM 802 C ASP A 54 -4.614 6.743 -0.475 1.00 0.00 C ATOM 803 O ASP A 54 -5.496 5.888 -0.558 1.00 0.00 O ATOM 804 CB ASP A 54 -3.063 7.438 -2.286 1.00 0.00 C ATOM 805 CG ASP A 54 -2.772 8.865 -1.874 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.247 9.060 -0.756 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.072 9.785 -2.664 1.00 0.00 O ATOM 0 H ASP A 54 -3.209 4.922 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.477 6.760 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.251 7.068 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.969 7.412 -2.891 1.00 0.00 H new ATOM 812 N ILE A 55 -4.782 7.908 0.134 1.00 0.00 N ATOM 813 CA ILE A 55 -6.031 8.287 0.761 1.00 0.00 C ATOM 814 C ILE A 55 -6.142 9.809 0.826 1.00 0.00 C ATOM 815 O ILE A 55 -5.420 10.463 1.576 1.00 0.00 O ATOM 816 CB ILE A 55 -6.114 7.676 2.170 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.230 8.338 3.007 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.759 7.751 2.852 1.00 0.00 C ATOM 819 CD1 ILE A 55 -6.770 9.377 4.013 1.00 0.00 C ATOM 0 H ILE A 55 -4.051 8.616 0.205 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.862 7.906 0.167 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.383 6.623 2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.939 8.808 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.770 7.556 3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.829 7.316 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.025 7.198 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.449 8.793 2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.634 9.776 4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.087 8.916 4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.259 10.186 3.492 1.00 0.00 H new ATOM 831 N ARG A 56 -7.036 10.367 0.013 1.00 0.00 N ATOM 832 CA ARG A 56 -7.224 11.814 -0.034 1.00 0.00 C ATOM 833 C ARG A 56 -8.663 12.178 -0.412 1.00 0.00 C ATOM 834 O ARG A 56 -8.897 13.119 -1.171 1.00 0.00 O ATOM 835 CB ARG A 56 -6.240 12.434 -1.033 1.00 0.00 C ATOM 836 CG ARG A 56 -5.300 13.456 -0.411 1.00 0.00 C ATOM 837 CD ARG A 56 -5.707 14.878 -0.769 1.00 0.00 C ATOM 838 NE ARG A 56 -5.458 15.811 0.327 1.00 0.00 N ATOM 839 CZ ARG A 56 -6.122 15.794 1.480 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.076 14.894 1.690 1.00 0.00 N ATOM 841 NH2 ARG A 56 -5.834 16.677 2.426 1.00 0.00 N ATOM 0 H ARG A 56 -7.639 9.841 -0.620 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.030 12.215 0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.649 11.639 -1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.803 12.912 -1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.299 13.339 0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.282 13.271 -0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.156 15.201 -1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.765 14.898 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.733 16.517 0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.302 14.212 0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.582 14.885 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.103 17.371 2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.344 16.663 3.309 1.00 0.00 H new ATOM 855 N MET A 57 -9.621 11.432 0.131 1.00 0.00 N ATOM 856 CA MET A 57 -11.040 11.674 -0.132 1.00 0.00 C ATOM 857 C MET A 57 -11.420 11.386 -1.591 1.00 0.00 C ATOM 858 O MET A 57 -12.050 12.212 -2.251 1.00 0.00 O ATOM 859 CB MET A 57 -11.409 13.115 0.238 1.00 0.00 C ATOM 860 CG MET A 57 -12.640 13.217 1.124 1.00 0.00 C ATOM 861 SD MET A 57 -12.647 14.714 2.130 1.00 0.00 S ATOM 862 CE MET A 57 -13.515 15.848 1.050 1.00 0.00 C ATOM 0 H MET A 57 -9.441 10.650 0.760 1.00 0.00 H new ATOM 0 HA MET A 57 -11.607 10.983 0.491 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.565 13.578 0.748 1.00 0.00 H new ATOM 0 HB3 MET A 57 -11.581 13.684 -0.676 1.00 0.00 H new ATOM 0 HG2 MET A 57 -13.534 13.198 0.501 1.00 0.00 H new ATOM 0 HG3 MET A 57 -12.687 12.345 1.776 1.00 0.00 H new ATOM 0 HE1 MET A 57 -13.598 16.821 1.535 1.00 0.00 H new ATOM 0 HE2 MET A 57 -12.964 15.955 0.116 1.00 0.00 H new ATOM 0 HE3 MET A 57 -14.512 15.460 0.841 1.00 0.00 H new ATOM 872 N PRO A 58 -11.056 10.198 -2.106 1.00 0.00 N ATOM 873 CA PRO A 58 -11.378 9.795 -3.477 1.00 0.00 C ATOM 874 C PRO A 58 -12.827 9.314 -3.613 1.00 0.00 C ATOM 875 O PRO A 58 -13.689 10.052 -4.089 1.00 0.00 O ATOM 876 CB PRO A 58 -10.394 8.655 -3.743 1.00 0.00 C ATOM 877 CG PRO A 58 -10.108 8.064 -2.401 1.00 0.00 C ATOM 878 CD PRO A 58 -10.319 9.152 -1.384 1.00 0.00 C ATOM 0 HA PRO A 58 -11.292 10.619 -4.185 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.823 7.913 -4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.482 9.023 -4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.768 7.219 -2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.086 7.688 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.885 8.788 -0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.369 9.528 -1.003 1.00 0.00 H new ATOM 886 N GLY A 59 -13.092 8.079 -3.183 1.00 0.00 N ATOM 887 CA GLY A 59 -14.434 7.531 -3.257 1.00 0.00 C ATOM 888 C GLY A 59 -15.066 7.400 -1.884 1.00 0.00 C ATOM 889 O GLY A 59 -16.284 7.499 -1.738 1.00 0.00 O ATOM 0 H GLY A 59 -12.396 7.449 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.054 8.172 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.401 6.553 -3.737 1.00 0.00 H new ATOM 893 N MET A 60 -14.223 7.187 -0.877 1.00 0.00 N ATOM 894 CA MET A 60 -14.678 7.053 0.504 1.00 0.00 C ATOM 895 C MET A 60 -13.581 7.490 1.466 1.00 0.00 C ATOM 896 O MET A 60 -13.032 6.678 2.220 1.00 0.00 O ATOM 897 CB MET A 60 -15.097 5.613 0.812 1.00 0.00 C ATOM 898 CG MET A 60 -15.874 5.471 2.112 1.00 0.00 C ATOM 899 SD MET A 60 -17.473 4.669 1.889 1.00 0.00 S ATOM 900 CE MET A 60 -18.211 5.728 0.650 1.00 0.00 C ATOM 0 H MET A 60 -13.213 7.103 -0.993 1.00 0.00 H new ATOM 0 HA MET A 60 -15.548 7.697 0.634 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.707 5.237 -0.009 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.206 4.986 0.860 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.281 4.896 2.823 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.026 6.458 2.548 1.00 0.00 H new ATOM 0 HE1 MET A 60 -19.292 5.748 0.786 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.814 6.738 0.751 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.977 5.344 -0.343 1.00 0.00 H new ATOM 910 N ASP A 61 -13.257 8.780 1.420 1.00 0.00 N ATOM 911 CA ASP A 61 -12.229 9.365 2.277 1.00 0.00 C ATOM 912 C ASP A 61 -10.832 8.871 1.908 1.00 0.00 C ATOM 913 O ASP A 61 -9.837 9.527 2.210 1.00 0.00 O ATOM 914 CB ASP A 61 -12.533 9.048 3.738 1.00 0.00 C ATOM 915 CG ASP A 61 -13.009 10.267 4.505 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.405 11.348 4.338 1.00 0.00 O ATOM 917 OD2 ASP A 61 -13.988 10.142 5.272 1.00 0.00 O ATOM 0 H ASP A 61 -13.699 9.448 0.789 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.243 10.445 2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.295 8.270 3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.638 8.648 4.215 1.00 0.00 H new ATOM 922 N GLY A 62 -10.767 7.711 1.264 1.00 0.00 N ATOM 923 CA GLY A 62 -9.502 7.132 0.870 1.00 0.00 C ATOM 924 C GLY A 62 -9.468 5.665 1.190 1.00 0.00 C ATOM 925 O GLY A 62 -8.845 4.874 0.481 1.00 0.00 O ATOM 0 H GLY A 62 -11.583 7.156 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.346 7.280 -0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.687 7.641 1.385 1.00 0.00 H new ATOM 929 N LEU A 63 -10.165 5.300 2.254 1.00 0.00 N ATOM 930 CA LEU A 63 -10.238 3.918 2.661 1.00 0.00 C ATOM 931 C LEU A 63 -11.074 3.127 1.655 1.00 0.00 C ATOM 932 O LEU A 63 -11.024 1.901 1.620 1.00 0.00 O ATOM 933 CB LEU A 63 -10.794 3.793 4.084 1.00 0.00 C ATOM 934 CG LEU A 63 -10.004 4.564 5.153 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.558 5.968 5.341 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.000 3.815 6.473 1.00 0.00 C ATOM 0 H LEU A 63 -10.686 5.946 2.847 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.232 3.498 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.825 4.146 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.817 2.739 4.359 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.975 4.649 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.979 6.489 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.493 6.514 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.600 5.909 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.434 4.383 7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.025 3.686 6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.538 2.837 6.335 1.00 0.00 H new ATOM 948 N ALA A 64 -11.829 3.843 0.812 1.00 0.00 N ATOM 949 CA ALA A 64 -12.645 3.197 -0.216 1.00 0.00 C ATOM 950 C ALA A 64 -11.790 2.270 -1.069 1.00 0.00 C ATOM 951 O ALA A 64 -12.225 1.189 -1.463 1.00 0.00 O ATOM 952 CB ALA A 64 -13.318 4.239 -1.097 1.00 0.00 C ATOM 0 H ALA A 64 -11.890 4.861 0.823 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.416 2.608 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.921 3.740 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.958 4.874 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.558 4.851 -1.582 1.00 0.00 H new ATOM 958 N LEU A 65 -10.562 2.703 -1.346 1.00 0.00 N ATOM 959 CA LEU A 65 -9.640 1.910 -2.142 1.00 0.00 C ATOM 960 C LEU A 65 -9.419 0.556 -1.484 1.00 0.00 C ATOM 961 O LEU A 65 -9.305 -0.466 -2.160 1.00 0.00 O ATOM 962 CB LEU A 65 -8.308 2.641 -2.299 1.00 0.00 C ATOM 963 CG LEU A 65 -7.669 2.527 -3.681 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.558 1.069 -4.103 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.466 3.327 -4.705 1.00 0.00 C ATOM 0 H LEU A 65 -10.187 3.597 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.072 1.759 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.461 3.696 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.608 2.253 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.663 2.943 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.100 1.010 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.942 0.528 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.552 0.623 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.996 3.235 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.485 2.943 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.487 4.376 -4.410 1.00 0.00 H new ATOM 977 N LEU A 66 -9.384 0.560 -0.156 1.00 0.00 N ATOM 978 CA LEU A 66 -9.204 -0.668 0.603 1.00 0.00 C ATOM 979 C LEU A 66 -10.331 -1.636 0.277 1.00 0.00 C ATOM 980 O LEU A 66 -10.103 -2.827 0.067 1.00 0.00 O ATOM 981 CB LEU A 66 -9.190 -0.384 2.105 1.00 0.00 C ATOM 982 CG LEU A 66 -7.895 0.220 2.656 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.710 -0.696 2.384 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.657 1.600 2.062 1.00 0.00 C ATOM 0 H LEU A 66 -9.478 1.400 0.415 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.246 -1.109 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.012 0.294 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.388 -1.316 2.634 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.999 0.323 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.802 -0.245 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.878 -1.661 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.600 -0.839 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.733 2.015 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.578 1.521 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.490 2.255 2.318 1.00 0.00 H new ATOM 996 N LYS A 67 -11.552 -1.108 0.224 1.00 0.00 N ATOM 997 CA LYS A 67 -12.719 -1.921 -0.094 1.00 0.00 C ATOM 998 C LYS A 67 -12.484 -2.691 -1.391 1.00 0.00 C ATOM 999 O LYS A 67 -12.724 -3.893 -1.466 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.969 -1.045 -0.211 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.362 -0.374 1.096 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.871 -0.211 1.211 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.262 1.245 1.412 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.738 1.440 1.356 1.00 0.00 N ATOM 0 H LYS A 67 -11.757 -0.124 0.397 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.877 -2.635 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.797 -0.279 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.801 -1.657 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.995 -0.966 1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.884 0.603 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.349 -0.596 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.239 -0.806 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.887 1.591 2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.786 1.857 0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.961 2.446 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.094 1.134 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.191 0.876 2.103 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.998 -1.991 -2.408 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.710 -2.605 -3.697 1.00 0.00 C ATOM 1020 C GLN A 68 -10.654 -3.698 -3.560 1.00 0.00 C ATOM 1021 O GLN A 68 -10.656 -4.678 -4.304 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.207 -1.538 -4.666 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.258 -0.515 -5.045 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.841 0.914 -4.745 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -10.782 1.369 -5.175 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.682 1.632 -4.011 1.00 0.00 N ATOM 0 H GLN A 68 -11.794 -0.993 -2.364 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.628 -3.055 -4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.357 -1.024 -4.217 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.843 -2.024 -5.571 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.477 -0.606 -6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.181 -0.737 -4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.550 1.215 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.460 2.601 -3.783 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.740 -3.503 -2.615 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.654 -4.447 -2.382 1.00 0.00 C ATOM 1037 C ILE A 69 -9.156 -5.776 -1.824 1.00 0.00 C ATOM 1038 O ILE A 69 -8.683 -6.841 -2.218 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.599 -3.830 -1.432 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.834 -2.723 -2.164 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.631 -4.881 -0.888 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.440 -1.570 -1.268 1.00 0.00 C ATOM 0 H ILE A 69 -9.731 -2.694 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.192 -4.654 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.124 -3.407 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.936 -3.148 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.450 -2.345 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.909 -4.403 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.188 -5.636 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.105 -5.355 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.902 -0.823 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.335 -1.120 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.798 -1.935 -0.466 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.096 -5.706 -0.900 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.640 -6.906 -0.279 1.00 0.00 C ATOM 1056 C LYS A 70 -11.639 -7.615 -1.187 1.00 0.00 C ATOM 1057 O LYS A 70 -11.863 -8.819 -1.054 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.298 -6.564 1.059 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.581 -5.763 0.931 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.688 -4.700 2.013 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.113 -4.194 2.164 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.228 -3.168 3.237 1.00 0.00 N ATOM 0 H LYS A 70 -10.500 -4.833 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.807 -7.588 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.512 -7.489 1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.590 -6.001 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.618 -5.289 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.437 -6.434 0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.345 -5.111 2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.029 -3.866 1.770 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.449 -3.769 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.773 -5.031 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.059 -2.569 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.335 -3.639 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.371 -2.578 3.247 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.248 -6.866 -2.095 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.236 -7.425 -3.008 1.00 0.00 C ATOM 1078 C GLN A 71 -12.588 -8.271 -4.098 1.00 0.00 C ATOM 1079 O GLN A 71 -13.079 -9.348 -4.438 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.065 -6.303 -3.637 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.242 -5.866 -2.780 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.799 -4.523 -3.204 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.937 -3.518 -3.238 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -16.987 -4.394 -3.499 1.00 0.00 N flip ATOM 0 H GLN A 71 -12.075 -5.868 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.888 -8.078 -2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.420 -5.444 -3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.435 -6.635 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.029 -6.618 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.929 -5.813 -1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.613 -5.198 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.345 -3.483 -3.785 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.501 -7.767 -4.651 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.789 -8.461 -5.722 1.00 0.00 C ATOM 1095 C ARG A 72 -9.722 -9.408 -5.183 1.00 0.00 C ATOM 1096 O ARG A 72 -9.695 -10.592 -5.517 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.145 -7.445 -6.670 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.126 -6.803 -7.640 1.00 0.00 C ATOM 1099 CD ARG A 72 -10.548 -6.708 -9.045 1.00 0.00 C ATOM 1100 NE ARG A 72 -10.448 -5.324 -9.506 1.00 0.00 N ATOM 1101 CZ ARG A 72 -10.125 -4.979 -10.751 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -9.865 -5.911 -11.660 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -10.059 -3.698 -11.089 1.00 0.00 N ATOM 0 H ARG A 72 -11.086 -6.876 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.522 -9.060 -6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.668 -6.663 -6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.358 -7.940 -7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.047 -7.385 -7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.388 -5.806 -7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.560 -7.168 -9.062 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.175 -7.275 -9.734 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.637 -4.579 -8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.912 -6.898 -11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.618 -5.640 -12.612 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.256 -2.977 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.812 -3.434 -12.043 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.839 -8.865 -4.369 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.738 -9.635 -3.787 1.00 0.00 C ATOM 1119 C HIS A 73 -8.144 -10.261 -2.452 1.00 0.00 C ATOM 1120 O HIS A 73 -8.770 -9.605 -1.619 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.517 -8.726 -3.607 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.561 -7.528 -4.502 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.536 -6.208 -4.217 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -6.717 -7.618 -5.870 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -6.680 -5.531 -5.401 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -6.787 -6.404 -6.383 1.00 0.00 N flip ATOM 0 H HIS A 73 -8.856 -7.884 -4.089 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.485 -10.449 -4.467 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.461 -8.399 -2.569 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.610 -9.295 -3.811 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.773 -8.538 -6.433 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.702 -4.457 -5.511 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.904 -6.179 -7.371 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.802 -11.548 -2.231 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.148 -12.255 -0.991 1.00 0.00 C ATOM 1137 C PRO A 74 -7.621 -11.550 0.254 1.00 0.00 C ATOM 1138 O PRO A 74 -8.398 -11.085 1.089 1.00 0.00 O ATOM 1139 CB PRO A 74 -7.474 -13.622 -1.149 1.00 0.00 C ATOM 1140 CG PRO A 74 -7.293 -13.794 -2.617 1.00 0.00 C ATOM 1141 CD PRO A 74 -7.061 -12.414 -3.167 1.00 0.00 C ATOM 0 HA PRO A 74 -9.228 -12.310 -0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.518 -13.653 -0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.091 -14.417 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.448 -14.448 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.173 -14.252 -3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.000 -12.164 -3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -7.436 -12.319 -4.186 1.00 0.00 H new ATOM 1149 N MET A 75 -6.300 -11.481 0.378 1.00 0.00 N ATOM 1150 CA MET A 75 -5.673 -10.839 1.528 1.00 0.00 C ATOM 1151 C MET A 75 -4.422 -10.068 1.104 1.00 0.00 C ATOM 1152 O MET A 75 -3.380 -10.154 1.754 1.00 0.00 O ATOM 1153 CB MET A 75 -5.299 -11.888 2.579 1.00 0.00 C ATOM 1154 CG MET A 75 -6.481 -12.396 3.390 1.00 0.00 C ATOM 1155 SD MET A 75 -6.136 -13.964 4.209 1.00 0.00 S ATOM 1156 CE MET A 75 -7.347 -15.030 3.434 1.00 0.00 C ATOM 0 H MET A 75 -5.643 -11.861 -0.303 1.00 0.00 H new ATOM 0 HA MET A 75 -6.388 -10.137 1.957 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.822 -12.733 2.082 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.562 -11.461 3.258 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.751 -11.651 4.138 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.343 -12.515 2.734 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.257 -16.038 3.839 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.348 -14.647 3.632 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.174 -15.055 2.358 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.530 -9.322 0.009 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.407 -8.543 -0.503 1.00 0.00 C ATOM 1168 C LEU A 76 -2.977 -7.472 0.503 1.00 0.00 C ATOM 1169 O LEU A 76 -3.712 -6.515 0.749 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.786 -7.887 -1.837 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.636 -7.227 -2.595 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.407 -5.826 -2.061 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.371 -8.065 -2.491 1.00 0.00 C ATOM 0 H LEU A 76 -5.385 -9.240 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.568 -9.220 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.235 -8.644 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.552 -7.135 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.900 -7.159 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.586 -5.359 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.313 -5.234 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.158 -5.877 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.565 -7.576 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.088 -8.168 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.552 -9.052 -2.917 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.781 -7.621 1.109 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.267 -6.660 2.097 1.00 0.00 C ATOM 1187 C PRO A 77 -1.134 -5.245 1.540 1.00 0.00 C ATOM 1188 O PRO A 77 -0.348 -4.989 0.629 1.00 0.00 O ATOM 1189 CB PRO A 77 0.109 -7.220 2.465 1.00 0.00 C ATOM 1190 CG PRO A 77 0.038 -8.663 2.109 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.839 -8.734 0.894 1.00 0.00 C ATOM 0 HA PRO A 77 -1.945 -6.562 2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.902 -6.715 1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.321 -7.084 3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.030 -9.065 1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.378 -9.249 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.268 -8.609 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.354 -9.692 0.822 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.908 -4.333 2.114 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.903 -2.933 1.714 1.00 0.00 C ATOM 1201 C VAL A 78 -1.475 -2.043 2.875 1.00 0.00 C ATOM 1202 O VAL A 78 -1.665 -2.386 4.043 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.297 -2.468 1.244 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.181 -1.207 0.405 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.010 -3.570 0.471 1.00 0.00 C ATOM 0 H VAL A 78 -2.558 -4.544 2.871 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.197 -2.847 0.888 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.895 -2.240 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.173 -0.893 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.725 -0.415 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.561 -1.407 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.990 -3.215 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.419 -3.841 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.132 -4.444 1.111 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.911 -0.893 2.542 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.466 0.063 3.545 1.00 0.00 C ATOM 1217 C ILE A 79 -0.920 1.467 3.165 1.00 0.00 C ATOM 1218 O ILE A 79 -0.537 1.992 2.120 1.00 0.00 O ATOM 1219 CB ILE A 79 1.065 0.062 3.698 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.620 -1.364 3.746 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.469 0.826 4.946 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.953 -1.508 3.045 1.00 0.00 C ATOM 0 H ILE A 79 -0.750 -0.597 1.579 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.909 -0.236 4.495 1.00 0.00 H new ATOM 0 HB ILE A 79 1.489 0.557 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.729 -1.670 4.787 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.901 -2.043 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.555 0.818 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.119 1.856 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.023 0.354 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.291 -2.542 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.844 -1.232 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.685 -0.854 3.518 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.751 2.067 4.004 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.265 3.401 3.722 1.00 0.00 C ATOM 1236 C ILE A 80 -1.415 4.491 4.368 1.00 0.00 C ATOM 1237 O ILE A 80 -0.915 4.334 5.481 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.727 3.537 4.191 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.551 2.341 3.709 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.336 4.835 3.689 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.522 2.157 2.209 1.00 0.00 C ATOM 0 H ILE A 80 -2.082 1.657 4.878 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.220 3.533 2.641 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.737 3.555 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.176 1.435 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.584 2.467 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.368 4.909 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.764 5.679 4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.314 4.850 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.126 1.292 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.924 3.047 1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.494 1.999 1.882 1.00 0.00 H new ATOM 1253 N MET A 81 -1.245 5.594 3.641 1.00 0.00 N ATOM 1254 CA MET A 81 -0.438 6.721 4.120 1.00 0.00 C ATOM 1255 C MET A 81 -1.234 7.675 5.015 1.00 0.00 C ATOM 1256 O MET A 81 -0.654 8.540 5.659 1.00 0.00 O ATOM 1257 CB MET A 81 0.169 7.504 2.949 1.00 0.00 C ATOM 1258 CG MET A 81 -0.653 7.472 1.670 1.00 0.00 C ATOM 1259 SD MET A 81 -0.123 6.165 0.547 1.00 0.00 S ATOM 1260 CE MET A 81 1.593 6.607 0.286 1.00 0.00 C ATOM 0 H MET A 81 -1.654 5.734 2.717 1.00 0.00 H new ATOM 0 HA MET A 81 0.362 6.288 4.720 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.302 8.542 3.254 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.161 7.104 2.738 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.704 7.329 1.920 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.574 8.435 1.166 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.105 5.792 -0.225 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.648 7.509 -0.324 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.072 6.790 1.248 1.00 0.00 H new ATOM 1270 N THR A 82 -2.554 7.529 5.058 1.00 0.00 N ATOM 1271 CA THR A 82 -3.377 8.407 5.893 1.00 0.00 C ATOM 1272 C THR A 82 -4.609 7.674 6.439 1.00 0.00 C ATOM 1273 O THR A 82 -5.313 6.992 5.700 1.00 0.00 O ATOM 1274 CB THR A 82 -3.803 9.643 5.094 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.696 10.227 4.425 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.450 10.712 5.944 1.00 0.00 C ATOM 0 H THR A 82 -3.074 6.824 4.535 1.00 0.00 H new ATOM 0 HA THR A 82 -2.775 8.721 6.746 1.00 0.00 H new ATOM 0 HB THR A 82 -4.539 9.278 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.604 9.828 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.727 11.558 5.316 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.342 10.307 6.421 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.748 11.043 6.709 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.874 7.819 7.738 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.032 7.163 8.348 1.00 0.00 C ATOM 1286 C ALA A 83 -6.934 8.154 9.084 1.00 0.00 C ATOM 1287 O ALA A 83 -7.970 7.767 9.626 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.597 6.054 9.291 1.00 0.00 C ATOM 0 H ALA A 83 -4.312 8.377 8.381 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.611 6.728 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.477 5.584 9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.026 5.309 8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.976 6.473 10.083 1.00 0.00 H new ATOM 1294 N HIS A 84 -6.547 9.428 9.101 1.00 0.00 N ATOM 1295 CA HIS A 84 -7.342 10.453 9.772 1.00 0.00 C ATOM 1296 C HIS A 84 -8.641 10.693 9.014 1.00 0.00 C ATOM 1297 O HIS A 84 -8.843 11.757 8.428 1.00 0.00 O ATOM 1298 CB HIS A 84 -6.561 11.766 9.881 1.00 0.00 C ATOM 1299 CG HIS A 84 -5.096 11.585 10.125 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -4.064 11.470 9.257 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -4.544 11.508 11.386 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -2.920 11.329 10.002 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -3.235 11.356 11.283 1.00 0.00 N flip ATOM 0 H HIS A 84 -5.694 9.773 8.661 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.570 10.098 10.777 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -6.698 12.336 8.962 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.983 12.361 10.691 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.095 11.563 12.313 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.923 11.214 9.604 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -2.580 11.274 12.061 1.00 0.00 H new ATOM 1312 N SER A 85 -9.516 9.695 9.015 1.00 0.00 N ATOM 1313 CA SER A 85 -10.786 9.802 8.313 1.00 0.00 C ATOM 1314 C SER A 85 -11.830 8.857 8.905 1.00 0.00 C ATOM 1315 O SER A 85 -12.698 9.277 9.669 1.00 0.00 O ATOM 1316 CB SER A 85 -10.583 9.496 6.828 1.00 0.00 C ATOM 1317 OG SER A 85 -9.765 10.474 6.211 1.00 0.00 O ATOM 0 H SER A 85 -9.369 8.806 9.493 1.00 0.00 H new ATOM 0 HA SER A 85 -11.154 10.822 8.428 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.126 8.513 6.716 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.550 9.458 6.326 1.00 0.00 H new ATOM 0 HG SER A 85 -9.465 11.121 6.883 1.00 0.00 H new ATOM 1323 N ASP A 86 -11.741 7.582 8.542 1.00 0.00 N ATOM 1324 CA ASP A 86 -12.679 6.581 9.028 1.00 0.00 C ATOM 1325 C ASP A 86 -11.983 5.237 9.216 1.00 0.00 C ATOM 1326 O ASP A 86 -12.089 4.347 8.375 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.851 6.440 8.052 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.191 6.416 8.759 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.297 5.754 9.811 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.137 7.061 8.257 1.00 0.00 O ATOM 0 H ASP A 86 -11.027 7.218 7.911 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.062 6.907 9.995 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.832 7.268 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.731 5.523 7.475 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.264 5.102 10.327 1.00 0.00 N ATOM 1336 CA LEU A 87 -10.535 3.873 10.638 1.00 0.00 C ATOM 1337 C LEU A 87 -11.385 2.621 10.411 1.00 0.00 C ATOM 1338 O LEU A 87 -10.851 1.525 10.243 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.021 3.911 12.078 1.00 0.00 C ATOM 1340 CG LEU A 87 -8.516 4.154 12.218 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.094 4.073 13.676 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -7.736 3.153 11.377 1.00 0.00 C ATOM 0 H LEU A 87 -11.170 5.833 11.032 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.689 3.818 9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.553 4.695 12.618 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.269 2.966 12.562 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.293 5.157 11.854 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.021 4.248 13.755 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.628 4.829 14.252 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.330 3.084 14.069 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.668 3.339 11.487 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.964 2.141 11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.017 3.261 10.329 1.00 0.00 H new ATOM 1354 N ASP A 88 -12.704 2.781 10.411 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.610 1.654 10.210 1.00 0.00 C ATOM 1356 C ASP A 88 -13.177 0.812 9.012 1.00 0.00 C ATOM 1357 O ASP A 88 -12.923 -0.385 9.147 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.038 2.157 10.001 1.00 0.00 C ATOM 1359 CG ASP A 88 -15.835 2.176 11.288 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.540 3.027 12.155 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.752 1.341 11.432 1.00 0.00 O ATOM 0 H ASP A 88 -13.170 3.678 10.548 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.576 1.028 11.102 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.009 3.162 9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.542 1.521 9.274 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.082 1.441 7.846 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.663 0.737 6.643 1.00 0.00 C ATOM 1368 C ALA A 89 -11.184 0.375 6.713 1.00 0.00 C ATOM 1369 O ALA A 89 -10.721 -0.527 6.016 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.949 1.573 5.403 1.00 0.00 C ATOM 0 H ALA A 89 -13.288 2.431 7.710 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.238 -0.187 6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.628 1.028 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.018 1.774 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.406 2.516 5.466 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.445 1.083 7.564 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.020 0.834 7.727 1.00 0.00 C ATOM 1378 C ALA A 90 -8.772 -0.503 8.415 1.00 0.00 C ATOM 1379 O ALA A 90 -8.136 -1.392 7.849 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.363 1.959 8.519 1.00 0.00 C ATOM 0 H ALA A 90 -10.812 1.833 8.150 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.574 0.797 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.298 1.753 8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.497 2.903 7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.823 2.027 9.505 1.00 0.00 H new ATOM 1386 N VAL A 91 -9.272 -0.639 9.642 1.00 0.00 N ATOM 1387 CA VAL A 91 -9.091 -1.870 10.401 1.00 0.00 C ATOM 1388 C VAL A 91 -9.715 -3.064 9.686 1.00 0.00 C ATOM 1389 O VAL A 91 -9.102 -4.125 9.577 1.00 0.00 O ATOM 1390 CB VAL A 91 -9.690 -1.767 11.817 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -9.313 -2.987 12.647 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -9.226 -0.490 12.499 1.00 0.00 C ATOM 0 H VAL A 91 -9.802 0.085 10.127 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.015 -2.020 10.483 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.776 -1.735 11.731 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.745 -2.897 13.644 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.696 -3.887 12.166 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.228 -3.052 12.726 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.658 -0.433 13.498 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.139 -0.492 12.574 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.548 0.372 11.915 1.00 0.00 H new ATOM 1402 N SER A 92 -10.939 -2.889 9.204 1.00 0.00 N ATOM 1403 CA SER A 92 -11.644 -3.958 8.507 1.00 0.00 C ATOM 1404 C SER A 92 -10.841 -4.463 7.314 1.00 0.00 C ATOM 1405 O SER A 92 -10.658 -5.667 7.137 1.00 0.00 O ATOM 1406 CB SER A 92 -13.014 -3.468 8.034 1.00 0.00 C ATOM 1407 OG SER A 92 -13.784 -2.978 9.118 1.00 0.00 O ATOM 0 H SER A 92 -11.464 -2.018 9.283 1.00 0.00 H new ATOM 0 HA SER A 92 -11.775 -4.782 9.208 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.885 -2.681 7.291 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.547 -4.284 7.545 1.00 0.00 H new ATOM 0 HG SER A 92 -13.535 -2.048 9.302 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.374 -3.529 6.496 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.599 -3.860 5.305 1.00 0.00 C ATOM 1415 C ALA A 93 -8.292 -4.553 5.647 1.00 0.00 C ATOM 1416 O ALA A 93 -7.879 -5.497 4.973 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.319 -2.603 4.512 1.00 0.00 C ATOM 0 H ALA A 93 -10.519 -2.529 6.636 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.192 -4.553 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.740 -2.855 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.261 -2.144 4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.754 -1.903 5.127 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.650 -4.078 6.697 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.392 -4.637 7.146 1.00 0.00 C ATOM 1425 C TYR A 94 -6.617 -6.009 7.764 1.00 0.00 C ATOM 1426 O TYR A 94 -5.699 -6.825 7.855 1.00 0.00 O ATOM 1427 CB TYR A 94 -5.743 -3.653 8.106 1.00 0.00 C ATOM 1428 CG TYR A 94 -5.451 -4.223 9.449 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -4.306 -4.946 9.661 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -6.321 -4.024 10.490 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -4.018 -5.469 10.904 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -6.058 -4.539 11.743 1.00 0.00 C ATOM 1433 CZ TYR A 94 -4.899 -5.262 11.947 1.00 0.00 C ATOM 1434 OH TYR A 94 -4.621 -5.777 13.191 1.00 0.00 O ATOM 0 H TYR A 94 -7.985 -3.296 7.260 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.712 -4.789 6.307 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.814 -3.291 7.666 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.398 -2.790 8.223 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.620 -5.108 8.843 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.225 -3.456 10.327 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.112 -6.035 11.060 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.751 -4.378 12.556 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.341 -5.540 13.812 1.00 0.00 H new ATOM 1444 N GLN A 95 -7.851 -6.256 8.172 1.00 0.00 N ATOM 1445 CA GLN A 95 -8.218 -7.529 8.765 1.00 0.00 C ATOM 1446 C GLN A 95 -8.310 -8.614 7.689 1.00 0.00 C ATOM 1447 O GLN A 95 -7.941 -9.766 7.920 1.00 0.00 O ATOM 1448 CB GLN A 95 -9.555 -7.391 9.516 1.00 0.00 C ATOM 1449 CG GLN A 95 -10.763 -7.950 8.770 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.044 -7.203 9.073 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.359 -6.923 10.229 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.792 -6.879 8.024 1.00 0.00 N ATOM 0 H GLN A 95 -8.618 -5.587 8.102 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.447 -7.823 9.477 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.471 -7.899 10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.731 -6.336 9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.571 -7.910 7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.891 -9.000 9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.489 -7.133 7.084 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.669 -6.376 8.159 1.00 0.00 H new ATOM 1461 N GLN A 96 -8.838 -8.239 6.523 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.019 -9.176 5.424 1.00 0.00 C ATOM 1463 C GLN A 96 -7.932 -9.073 4.359 1.00 0.00 C ATOM 1464 O GLN A 96 -7.787 -9.981 3.545 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.379 -8.964 4.770 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.503 -7.640 4.037 1.00 0.00 C ATOM 1467 CD GLN A 96 -11.834 -6.967 4.288 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -11.934 -6.039 5.088 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -12.864 -7.435 3.599 1.00 0.00 N ATOM 0 H GLN A 96 -9.147 -7.289 6.319 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.954 -10.173 5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.566 -9.777 4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.153 -9.020 5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.698 -6.976 4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.379 -7.807 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.732 -8.207 2.946 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.789 -7.023 3.721 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.186 -7.973 4.338 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.153 -7.829 3.328 1.00 0.00 C ATOM 1480 C GLY A 97 -5.446 -6.488 3.353 1.00 0.00 C ATOM 1481 O GLY A 97 -5.555 -5.703 2.409 1.00 0.00 O ATOM 0 H GLY A 97 -7.275 -7.192 4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.415 -8.619 3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.599 -7.974 2.344 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.701 -6.236 4.421 1.00 0.00 N ATOM 1486 CA ALA A 98 -3.946 -4.999 4.555 1.00 0.00 C ATOM 1487 C ALA A 98 -3.006 -5.073 5.752 1.00 0.00 C ATOM 1488 O ALA A 98 -3.402 -5.503 6.832 1.00 0.00 O ATOM 1489 CB ALA A 98 -4.878 -3.801 4.652 1.00 0.00 C ATOM 0 H ALA A 98 -4.604 -6.875 5.210 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.338 -4.868 3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.289 -2.889 4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.489 -3.742 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.524 -3.912 5.523 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.748 -4.678 5.552 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.757 -4.729 6.625 1.00 0.00 C ATOM 1497 C PHE A 99 -1.138 -3.813 7.781 1.00 0.00 C ATOM 1498 O PHE A 99 -1.182 -4.245 8.933 1.00 0.00 O ATOM 1499 CB PHE A 99 0.637 -4.353 6.113 1.00 0.00 C ATOM 1500 CG PHE A 99 1.699 -4.421 7.180 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.947 -5.607 7.853 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.444 -3.299 7.515 1.00 0.00 C ATOM 1503 CE1 PHE A 99 2.916 -5.674 8.837 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.415 -3.362 8.498 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.650 -4.550 9.160 1.00 0.00 C ATOM 0 H PHE A 99 -1.394 -4.322 4.664 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.736 -5.757 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.909 -5.021 5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.607 -3.343 5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.376 -6.490 7.606 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.263 -2.366 7.002 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.099 -6.605 9.353 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.989 -2.482 8.747 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.407 -4.600 9.929 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.399 -2.545 7.478 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.759 -1.583 8.518 1.00 0.00 C ATOM 1517 C ASP A 100 -1.970 -0.182 7.935 1.00 0.00 C ATOM 1518 O ASP A 100 -2.179 -0.025 6.732 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.665 -1.556 9.591 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.165 -2.040 10.938 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -2.139 -1.453 11.455 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.586 -3.008 11.473 1.00 0.00 O ATOM 0 H ASP A 100 -1.369 -2.162 6.533 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.701 -1.897 8.967 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.170 -2.180 9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.284 -0.540 9.692 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.913 0.833 8.799 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.098 2.217 8.370 1.00 0.00 C ATOM 1529 C TYR A 101 -0.942 3.095 8.849 1.00 0.00 C ATOM 1530 O TYR A 101 -0.616 3.117 10.036 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.428 2.767 8.899 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.563 2.670 7.905 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.134 1.444 7.587 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.061 3.806 7.281 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.168 1.355 6.677 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.097 3.726 6.372 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.649 2.497 6.074 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.679 2.408 5.165 1.00 0.00 O ATOM 0 H TYR A 101 -1.740 0.721 9.798 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.116 2.233 7.280 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.702 2.224 9.804 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.293 3.811 9.182 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.763 0.546 8.059 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.630 4.769 7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.599 0.394 6.438 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.473 4.620 5.897 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.550 3.075 4.458 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.327 3.813 7.915 1.00 0.00 N ATOM 1549 CA LEU A 102 0.796 4.695 8.228 1.00 0.00 C ATOM 1550 C LEU A 102 0.377 6.160 8.136 1.00 0.00 C ATOM 1551 O LEU A 102 -0.292 6.556 7.187 1.00 0.00 O ATOM 1552 CB LEU A 102 1.952 4.428 7.256 1.00 0.00 C ATOM 1553 CG LEU A 102 3.165 5.354 7.395 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.157 4.791 8.401 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.836 5.558 6.040 1.00 0.00 C ATOM 0 H LEU A 102 -0.588 3.802 6.929 1.00 0.00 H new ATOM 0 HA LEU A 102 1.121 4.490 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.286 3.399 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.572 4.508 6.238 1.00 0.00 H new ATOM 0 HG LEU A 102 2.819 6.321 7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.011 5.463 8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.674 4.694 9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.498 3.811 8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.696 6.218 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.167 4.596 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.125 6.006 5.346 1.00 0.00 H new ATOM 1567 N PRO A 103 0.771 6.992 9.117 1.00 0.00 N ATOM 1568 CA PRO A 103 0.433 8.420 9.114 1.00 0.00 C ATOM 1569 C PRO A 103 0.771 9.071 7.775 1.00 0.00 C ATOM 1570 O PRO A 103 1.417 8.453 6.929 1.00 0.00 O ATOM 1571 CB PRO A 103 1.304 8.992 10.232 1.00 0.00 C ATOM 1572 CG PRO A 103 1.529 7.846 11.158 1.00 0.00 C ATOM 1573 CD PRO A 103 1.580 6.618 10.291 1.00 0.00 C ATOM 0 HA PRO A 103 -0.632 8.600 9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.246 9.378 9.842 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.806 9.819 10.738 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.458 7.970 11.714 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.726 7.773 11.891 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.603 6.367 10.010 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.167 5.748 10.802 1.00 0.00 H new ATOM 1581 N LYS A 104 0.325 10.312 7.575 1.00 0.00 N ATOM 1582 CA LYS A 104 0.582 11.019 6.319 1.00 0.00 C ATOM 1583 C LYS A 104 2.030 10.862 5.850 1.00 0.00 C ATOM 1584 O LYS A 104 2.265 10.612 4.667 1.00 0.00 O ATOM 1585 CB LYS A 104 0.219 12.500 6.424 1.00 0.00 C ATOM 1586 CG LYS A 104 -0.488 13.028 5.179 1.00 0.00 C ATOM 1587 CD LYS A 104 0.318 12.751 3.914 1.00 0.00 C ATOM 1588 CE LYS A 104 -0.179 11.510 3.180 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.216 11.517 1.741 1.00 0.00 N ATOM 0 H LYS A 104 -0.211 10.845 8.260 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.062 10.556 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.423 12.651 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.126 13.080 6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.471 12.564 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.650 14.101 5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.258 13.613 3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.368 12.622 4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.222 10.619 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.265 11.453 3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.170 10.549 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.433 12.128 1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.187 11.879 1.649 1.00 0.00 H new ATOM 1603 N PRO A 105 3.034 10.997 6.746 1.00 0.00 N ATOM 1604 CA PRO A 105 4.439 10.851 6.357 1.00 0.00 C ATOM 1605 C PRO A 105 4.644 9.596 5.516 1.00 0.00 C ATOM 1606 O PRO A 105 3.776 8.724 5.478 1.00 0.00 O ATOM 1607 CB PRO A 105 5.191 10.745 7.696 1.00 0.00 C ATOM 1608 CG PRO A 105 4.135 10.655 8.752 1.00 0.00 C ATOM 1609 CD PRO A 105 2.907 11.301 8.179 1.00 0.00 C ATOM 0 HA PRO A 105 4.791 11.682 5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.837 9.867 7.713 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.830 11.614 7.855 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.939 9.616 9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.452 11.163 9.663 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.993 10.886 8.604 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.887 12.374 8.367 1.00 0.00 H new ATOM 1617 N PHE A 106 5.771 9.511 4.818 1.00 0.00 N ATOM 1618 CA PHE A 106 6.028 8.362 3.963 1.00 0.00 C ATOM 1619 C PHE A 106 7.500 8.290 3.536 1.00 0.00 C ATOM 1620 O PHE A 106 8.326 7.752 4.268 1.00 0.00 O ATOM 1621 CB PHE A 106 5.092 8.425 2.751 1.00 0.00 C ATOM 1622 CG PHE A 106 4.801 7.095 2.123 1.00 0.00 C ATOM 1623 CD1 PHE A 106 3.795 6.277 2.623 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.526 6.669 1.022 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.524 5.061 2.029 1.00 0.00 C ATOM 1626 CE2 PHE A 106 5.258 5.454 0.429 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.258 4.651 0.930 1.00 0.00 C ATOM 0 H PHE A 106 6.510 10.214 4.827 1.00 0.00 H new ATOM 0 HA PHE A 106 5.828 7.449 4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.151 8.882 3.057 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.534 9.079 1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.222 6.595 3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.310 7.296 0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.740 4.430 2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.832 5.132 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 106 4.046 3.700 0.465 1.00 0.00 H new ATOM 1637 N ASP A 107 7.835 8.821 2.356 1.00 0.00 N ATOM 1638 CA ASP A 107 9.215 8.786 1.871 1.00 0.00 C ATOM 1639 C ASP A 107 9.839 7.407 2.099 1.00 0.00 C ATOM 1640 O ASP A 107 9.162 6.474 2.522 1.00 0.00 O ATOM 1641 CB ASP A 107 10.054 9.867 2.562 1.00 0.00 C ATOM 1642 CG ASP A 107 10.298 9.571 4.030 1.00 0.00 C ATOM 1643 OD1 ASP A 107 9.454 9.961 4.863 1.00 0.00 O ATOM 1644 OD2 ASP A 107 11.335 8.953 4.346 1.00 0.00 O ATOM 0 H ASP A 107 7.175 9.276 1.725 1.00 0.00 H new ATOM 0 HA ASP A 107 9.201 8.984 0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.012 9.960 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.548 10.828 2.469 1.00 0.00 H new ATOM 1649 N ILE A 108 11.124 7.280 1.815 1.00 0.00 N ATOM 1650 CA ILE A 108 11.814 6.009 1.996 1.00 0.00 C ATOM 1651 C ILE A 108 11.935 5.642 3.464 1.00 0.00 C ATOM 1652 O ILE A 108 11.646 4.516 3.865 1.00 0.00 O ATOM 1653 CB ILE A 108 13.198 6.034 1.302 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.023 5.710 -0.180 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.207 5.078 1.942 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.803 6.364 -0.794 1.00 0.00 C ATOM 0 H ILE A 108 11.710 8.035 1.460 1.00 0.00 H new ATOM 0 HA ILE A 108 11.213 5.233 1.522 1.00 0.00 H new ATOM 0 HB ILE A 108 13.608 7.036 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.912 6.032 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.948 4.629 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.157 5.142 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.356 5.352 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.828 4.058 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.737 6.094 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.907 6.023 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.886 7.447 -0.702 1.00 0.00 H new ATOM 1668 N ASP A 109 12.366 6.596 4.257 1.00 0.00 N ATOM 1669 CA ASP A 109 12.535 6.376 5.684 1.00 0.00 C ATOM 1670 C ASP A 109 11.280 5.777 6.316 1.00 0.00 C ATOM 1671 O ASP A 109 11.345 4.725 6.942 1.00 0.00 O ATOM 1672 CB ASP A 109 12.898 7.684 6.389 1.00 0.00 C ATOM 1673 CG ASP A 109 13.458 7.455 7.779 1.00 0.00 C ATOM 1674 OD1 ASP A 109 14.521 6.809 7.892 1.00 0.00 O ATOM 1675 OD2 ASP A 109 12.835 7.921 8.756 1.00 0.00 O ATOM 0 H ASP A 109 12.608 7.535 3.942 1.00 0.00 H new ATOM 0 HA ASP A 109 13.349 5.662 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.630 8.225 5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.012 8.315 6.457 1.00 0.00 H new ATOM 1680 N GLU A 110 10.148 6.468 6.178 1.00 0.00 N ATOM 1681 CA GLU A 110 8.896 6.015 6.771 1.00 0.00 C ATOM 1682 C GLU A 110 8.226 4.897 5.976 1.00 0.00 C ATOM 1683 O GLU A 110 7.528 4.061 6.553 1.00 0.00 O ATOM 1684 CB GLU A 110 7.935 7.196 6.946 1.00 0.00 C ATOM 1685 CG GLU A 110 8.559 8.388 7.652 1.00 0.00 C ATOM 1686 CD GLU A 110 8.167 8.469 9.114 1.00 0.00 C ATOM 1687 OE1 GLU A 110 6.963 8.327 9.414 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.063 8.676 9.958 1.00 0.00 O ATOM 0 H GLU A 110 10.076 7.344 5.660 1.00 0.00 H new ATOM 0 HA GLU A 110 9.144 5.596 7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.578 7.511 5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.064 6.864 7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.644 8.325 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.255 9.305 7.147 1.00 0.00 H new ATOM 1695 N ALA A 111 8.430 4.863 4.664 1.00 0.00 N ATOM 1696 CA ALA A 111 7.821 3.821 3.850 1.00 0.00 C ATOM 1697 C ALA A 111 8.644 2.545 3.904 1.00 0.00 C ATOM 1698 O ALA A 111 8.143 1.495 4.302 1.00 0.00 O ATOM 1699 CB ALA A 111 7.626 4.280 2.416 1.00 0.00 C ATOM 0 H ALA A 111 9.002 5.533 4.150 1.00 0.00 H new ATOM 0 HA ALA A 111 6.835 3.610 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.169 3.478 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.976 5.155 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.592 4.537 1.982 1.00 0.00 H new ATOM 1705 N VAL A 112 9.913 2.635 3.520 1.00 0.00 N ATOM 1706 CA VAL A 112 10.782 1.468 3.556 1.00 0.00 C ATOM 1707 C VAL A 112 10.770 0.849 4.943 1.00 0.00 C ATOM 1708 O VAL A 112 10.878 -0.365 5.105 1.00 0.00 O ATOM 1709 CB VAL A 112 12.228 1.798 3.169 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.051 0.520 3.097 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.261 2.543 1.848 1.00 0.00 C ATOM 0 H VAL A 112 10.356 3.491 3.185 1.00 0.00 H new ATOM 0 HA VAL A 112 10.391 0.764 2.821 1.00 0.00 H new ATOM 0 HB VAL A 112 12.664 2.444 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.077 0.763 2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.043 0.027 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.623 -0.147 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.294 2.771 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.817 1.923 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.696 3.471 1.939 1.00 0.00 H new ATOM 1721 N ALA A 113 10.615 1.698 5.941 1.00 0.00 N ATOM 1722 CA ALA A 113 10.558 1.247 7.318 1.00 0.00 C ATOM 1723 C ALA A 113 9.399 0.282 7.498 1.00 0.00 C ATOM 1724 O ALA A 113 9.552 -0.815 8.037 1.00 0.00 O ATOM 1725 CB ALA A 113 10.376 2.436 8.244 1.00 0.00 C ATOM 0 H ALA A 113 10.526 2.707 5.823 1.00 0.00 H new ATOM 0 HA ALA A 113 11.491 0.739 7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.334 2.090 9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.215 3.122 8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.448 2.952 7.996 1.00 0.00 H new ATOM 1731 N LEU A 114 8.234 0.728 7.055 1.00 0.00 N ATOM 1732 CA LEU A 114 7.012 -0.046 7.166 1.00 0.00 C ATOM 1733 C LEU A 114 6.918 -1.157 6.121 1.00 0.00 C ATOM 1734 O LEU A 114 6.157 -2.107 6.300 1.00 0.00 O ATOM 1735 CB LEU A 114 5.808 0.886 7.049 1.00 0.00 C ATOM 1736 CG LEU A 114 4.474 0.292 7.504 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.506 -0.040 8.986 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.347 1.261 7.220 1.00 0.00 C ATOM 0 H LEU A 114 8.111 1.637 6.609 1.00 0.00 H new ATOM 0 HA LEU A 114 7.021 -0.532 8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.006 1.783 7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.712 1.199 6.009 1.00 0.00 H new ATOM 0 HG LEU A 114 4.305 -0.629 6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.546 -0.461 9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.296 -0.765 9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.698 0.868 9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.403 0.827 7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.524 2.193 7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.301 1.462 6.150 1.00 0.00 H new ATOM 1750 N VAL A 115 7.671 -1.044 5.030 1.00 0.00 N ATOM 1751 CA VAL A 115 7.616 -2.068 3.989 1.00 0.00 C ATOM 1752 C VAL A 115 8.384 -3.322 4.397 1.00 0.00 C ATOM 1753 O VAL A 115 7.883 -4.439 4.258 1.00 0.00 O ATOM 1754 CB VAL A 115 8.132 -1.563 2.620 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.651 -1.523 2.578 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.600 -2.442 1.497 1.00 0.00 C ATOM 0 H VAL A 115 8.313 -0.273 4.845 1.00 0.00 H new ATOM 0 HA VAL A 115 6.561 -2.316 3.874 1.00 0.00 H new ATOM 0 HB VAL A 115 7.765 -0.546 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.979 -1.164 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.019 -0.852 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.046 -2.525 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.971 -2.075 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.937 -3.468 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.510 -2.414 1.498 1.00 0.00 H new ATOM 1766 N GLU A 116 9.598 -3.137 4.907 1.00 0.00 N ATOM 1767 CA GLU A 116 10.420 -4.261 5.334 1.00 0.00 C ATOM 1768 C GLU A 116 9.758 -4.998 6.491 1.00 0.00 C ATOM 1769 O GLU A 116 9.571 -6.213 6.438 1.00 0.00 O ATOM 1770 CB GLU A 116 11.812 -3.779 5.740 1.00 0.00 C ATOM 1771 CG GLU A 116 12.615 -3.205 4.583 1.00 0.00 C ATOM 1772 CD GLU A 116 14.102 -3.159 4.872 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.523 -2.317 5.694 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.848 -3.964 4.274 1.00 0.00 O ATOM 0 H GLU A 116 10.032 -2.223 5.034 1.00 0.00 H new ATOM 0 HA GLU A 116 10.521 -4.951 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.713 -3.020 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.363 -4.612 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.440 -3.806 3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.260 -2.198 4.363 1.00 0.00 H new ATOM 1781 N ARG A 117 9.393 -4.258 7.534 1.00 0.00 N ATOM 1782 CA ARG A 117 8.740 -4.850 8.696 1.00 0.00 C ATOM 1783 C ARG A 117 7.463 -5.568 8.282 1.00 0.00 C ATOM 1784 O ARG A 117 7.014 -6.501 8.949 1.00 0.00 O ATOM 1785 CB ARG A 117 8.423 -3.771 9.734 1.00 0.00 C ATOM 1786 CG ARG A 117 9.650 -3.022 10.226 1.00 0.00 C ATOM 1787 CD ARG A 117 10.130 -3.558 11.565 1.00 0.00 C ATOM 1788 NE ARG A 117 10.949 -2.584 12.279 1.00 0.00 N ATOM 1789 CZ ARG A 117 12.178 -2.237 11.908 1.00 0.00 C ATOM 1790 NH1 ARG A 117 12.734 -2.785 10.834 1.00 0.00 N ATOM 1791 NH2 ARG A 117 12.853 -1.340 12.613 1.00 0.00 N ATOM 0 H ARG A 117 9.538 -3.250 7.598 1.00 0.00 H new ATOM 0 HA ARG A 117 9.420 -5.577 9.140 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.721 -3.058 9.302 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.924 -4.233 10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 117 10.450 -3.109 9.490 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.417 -1.961 10.320 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.270 -3.828 12.178 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.706 -4.470 11.406 1.00 0.00 H new ATOM 0 HE ARG A 117 10.556 -2.144 13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.218 -3.476 10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.677 -2.515 10.554 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.430 -0.917 13.439 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.796 -1.073 12.330 1.00 0.00 H new ATOM 1805 N ALA A 118 6.884 -5.124 7.173 1.00 0.00 N ATOM 1806 CA ALA A 118 5.660 -5.713 6.656 1.00 0.00 C ATOM 1807 C ALA A 118 5.924 -7.067 6.001 1.00 0.00 C ATOM 1808 O ALA A 118 5.290 -8.064 6.345 1.00 0.00 O ATOM 1809 CB ALA A 118 4.998 -4.764 5.669 1.00 0.00 C ATOM 0 H ALA A 118 7.247 -4.353 6.613 1.00 0.00 H new ATOM 0 HA ALA A 118 4.986 -5.879 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.082 -5.216 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.759 -3.826 6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.678 -4.569 4.840 1.00 0.00 H new ATOM 1815 N ILE A 119 6.857 -7.096 5.051 1.00 0.00 N ATOM 1816 CA ILE A 119 7.189 -8.331 4.352 1.00 0.00 C ATOM 1817 C ILE A 119 7.886 -9.317 5.281 1.00 0.00 C ATOM 1818 O ILE A 119 7.734 -10.531 5.147 1.00 0.00 O ATOM 1819 CB ILE A 119 8.098 -8.075 3.133 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.601 -6.884 2.315 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.182 -9.313 2.255 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.729 -6.034 1.780 1.00 0.00 C ATOM 0 H ILE A 119 7.393 -6.282 4.750 1.00 0.00 H new ATOM 0 HA ILE A 119 6.245 -8.753 4.008 1.00 0.00 H new ATOM 0 HB ILE A 119 9.095 -7.842 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.998 -7.246 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.950 -6.268 2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.828 -9.110 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.593 -10.141 2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.185 -9.576 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.318 -5.203 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.318 -5.646 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.366 -6.639 1.135 1.00 0.00 H new ATOM 1834 N SER A 120 8.656 -8.781 6.215 1.00 0.00 N ATOM 1835 CA SER A 120 9.392 -9.598 7.170 1.00 0.00 C ATOM 1836 C SER A 120 8.455 -10.241 8.188 1.00 0.00 C ATOM 1837 O SER A 120 8.539 -11.442 8.448 1.00 0.00 O ATOM 1838 CB SER A 120 10.444 -8.755 7.891 1.00 0.00 C ATOM 1839 OG SER A 120 11.623 -9.505 8.139 1.00 0.00 O ATOM 0 H SER A 120 8.789 -7.777 6.333 1.00 0.00 H new ATOM 0 HA SER A 120 9.888 -10.393 6.614 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.687 -7.880 7.289 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.037 -8.390 8.834 1.00 0.00 H new ATOM 0 HG SER A 120 12.279 -8.941 8.599 1.00 0.00 H new ATOM 1845 N HIS A 121 7.569 -9.438 8.767 1.00 0.00 N ATOM 1846 CA HIS A 121 6.624 -9.938 9.759 1.00 0.00 C ATOM 1847 C HIS A 121 5.745 -11.037 9.175 1.00 0.00 C ATOM 1848 O HIS A 121 5.232 -11.888 9.901 1.00 0.00 O ATOM 1849 CB HIS A 121 5.755 -8.799 10.293 1.00 0.00 C ATOM 1850 CG HIS A 121 6.379 -8.057 11.432 1.00 0.00 C ATOM 1851 ND1 HIS A 121 6.102 -6.735 11.712 1.00 0.00 N ATOM 1852 CD2 HIS A 121 7.272 -8.458 12.369 1.00 0.00 C ATOM 1853 CE1 HIS A 121 6.798 -6.355 12.769 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.515 -7.382 13.187 1.00 0.00 N ATOM 0 H HIS A 121 7.485 -8.441 8.567 1.00 0.00 H new ATOM 0 HA HIS A 121 7.198 -10.361 10.583 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.549 -8.099 9.483 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.796 -9.205 10.616 1.00 0.00 H new ATOM 0 HD2 HIS A 121 7.711 -9.441 12.456 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.783 -5.372 13.215 1.00 0.00 H new ATOM 0 HE2 HIS A 121 8.147 -7.377 13.988 1.00 0.00 H new