USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 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 94 TYR OH : rot 150:sc= 0.505 USER MOD Set 1.2: A 118 LYS NZ :NH3+ -121:sc= 0.682 (180deg=0) USER MOD Set 2.1: A 63 LYS NZ :NH3+ 178:sc= -2.52! (180deg=-3.55!) USER MOD Set 2.2: A 96 HIS :FLIP no HD1:sc= -14.5! C(o=-26!,f=-17!) USER MOD Set 3.1: A 36 THR OG1 : rot -161:sc= 1.3 USER MOD Set 3.2: A 40 TYR OH : rot -140:sc= -1.64! USER MOD Set 3.3: A 95 MET CE :methyl 142:sc= -9.67! (180deg=-14.8!) USER MOD Set 4.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -79:sc= -1.63! USER MOD Single : A 22 GLN :FLIP amide:sc= -4.3! C(o=-12!,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0806 F(o=-1.4,f=-0.081) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.7! C(o=-3.7!,f=-3.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.23 K(o=-2.2,f=-7.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -112:sc= 0.418 (180deg=-0.837) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 53 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.32) USER MOD Single : A 58 THR OG1 : rot -31:sc= 0.117 USER MOD Single : A 59 ASN : amide:sc= -5.92! C(o=-5.9!,f=-9.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= -1.63! USER MOD Single : A 61 TYR OH : rot -93:sc= -1.67! USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.089) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= 0.0425 (180deg=0.0281) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0395) USER MOD Single : A 111 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 113 TYR OH : rot 137:sc= -0.0345 USER MOD Single : A 114 GLN :FLIP amide:sc= -3.94 F(o=-5.8!,f=-3.9) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN :FLIP amide:sc= -0.582 F(o=-1.1,f=-0.58) USER MOD Single : A 123 THR OG1 : rot 121:sc= -1.01! USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 11 -8.627 0.297 12.007 1.00 0.00 N ATOM 68 CA LEU A 11 -7.409 -0.449 11.599 1.00 0.00 C ATOM 69 C LEU A 11 -7.403 -1.852 12.189 1.00 0.00 C ATOM 70 O LEU A 11 -7.562 -2.049 13.378 1.00 0.00 O ATOM 71 CB LEU A 11 -6.179 0.308 12.080 1.00 0.00 C ATOM 72 CG LEU A 11 -5.853 1.366 11.044 1.00 0.00 C ATOM 73 CD1 LEU A 11 -5.848 2.749 11.693 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.478 1.092 10.437 1.00 0.00 C ATOM 0 HA LEU A 11 -7.400 -0.535 10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.368 0.768 13.050 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.337 -0.373 12.209 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.611 1.335 10.261 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.613 3.503 10.942 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.830 2.955 12.118 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.097 2.778 12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.250 1.856 9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.723 1.113 11.223 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.479 0.111 9.961 1.00 0.00 H new ATOM 86 N SER A 12 -7.198 -2.827 11.353 1.00 0.00 N ATOM 87 CA SER A 12 -7.150 -4.235 11.834 1.00 0.00 C ATOM 88 C SER A 12 -5.689 -4.678 11.933 1.00 0.00 C ATOM 89 O SER A 12 -4.796 -4.014 11.445 1.00 0.00 O ATOM 90 CB SER A 12 -7.896 -5.140 10.853 1.00 0.00 C ATOM 91 OG SER A 12 -8.358 -6.296 11.541 1.00 0.00 O ATOM 0 H SER A 12 -7.060 -2.710 10.349 1.00 0.00 H new ATOM 0 HA SER A 12 -7.623 -4.305 12.813 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.737 -4.604 10.413 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.238 -5.429 10.034 1.00 0.00 H new ATOM 0 HG SER A 12 -8.838 -6.878 10.916 1.00 0.00 H new ATOM 97 N GLU A 13 -5.439 -5.792 12.561 1.00 0.00 N ATOM 98 CA GLU A 13 -4.048 -6.283 12.696 1.00 0.00 C ATOM 99 C GLU A 13 -3.367 -6.285 11.324 1.00 0.00 C ATOM 100 O GLU A 13 -3.940 -5.870 10.337 1.00 0.00 O ATOM 101 CB GLU A 13 -4.074 -7.701 13.263 1.00 0.00 C ATOM 102 CG GLU A 13 -3.064 -7.812 14.409 1.00 0.00 C ATOM 103 CD GLU A 13 -1.850 -8.622 13.951 1.00 0.00 C ATOM 104 OE1 GLU A 13 -1.898 -9.165 12.859 1.00 0.00 O ATOM 105 OE2 GLU A 13 -0.890 -8.687 14.701 1.00 0.00 O ATOM 0 H GLU A 13 -6.149 -6.386 12.989 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.490 -5.630 13.368 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.075 -7.942 13.621 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.833 -8.421 12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.751 -6.818 14.728 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.529 -8.291 15.271 1.00 0.00 H new ATOM 112 N ALA A 14 -2.148 -6.745 11.254 1.00 0.00 N ATOM 113 CA ALA A 14 -1.439 -6.765 9.942 1.00 0.00 C ATOM 114 C ALA A 14 -1.955 -7.901 9.085 1.00 0.00 C ATOM 115 O ALA A 14 -1.504 -9.023 9.198 1.00 0.00 O ATOM 116 CB ALA A 14 0.059 -6.997 10.124 1.00 0.00 C ATOM 0 H ALA A 14 -1.614 -7.106 12.044 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.618 -5.798 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.547 -7.006 9.149 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.480 -6.197 10.733 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.221 -7.954 10.620 1.00 0.00 H new ATOM 122 N LYS A 15 -2.838 -7.626 8.183 1.00 0.00 N ATOM 123 CA LYS A 15 -3.283 -8.713 7.293 1.00 0.00 C ATOM 124 C LYS A 15 -2.098 -8.950 6.372 1.00 0.00 C ATOM 125 O LYS A 15 -1.579 -8.012 5.806 1.00 0.00 O ATOM 126 CB LYS A 15 -4.513 -8.279 6.494 1.00 0.00 C ATOM 127 CG LYS A 15 -5.704 -8.116 7.439 1.00 0.00 C ATOM 128 CD LYS A 15 -5.983 -9.443 8.150 1.00 0.00 C ATOM 129 CE LYS A 15 -5.268 -9.460 9.504 1.00 0.00 C ATOM 130 NZ LYS A 15 -6.278 -9.469 10.601 1.00 0.00 N ATOM 0 H LYS A 15 -3.264 -6.713 8.025 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.571 -9.612 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.312 -7.339 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.742 -9.020 5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.495 -7.336 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.584 -7.800 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.056 -9.573 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.640 -10.276 7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.628 -10.339 9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.622 -8.587 9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.792 -9.481 11.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.871 -8.617 10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.876 -10.315 10.515 1.00 0.00 H new ATOM 144 N PRO A 16 -1.656 -10.164 6.272 1.00 0.00 N ATOM 145 CA PRO A 16 -0.481 -10.461 5.455 1.00 0.00 C ATOM 146 C PRO A 16 -0.789 -10.164 3.985 1.00 0.00 C ATOM 147 O PRO A 16 -1.760 -10.643 3.433 1.00 0.00 O ATOM 148 CB PRO A 16 -0.206 -11.943 5.734 1.00 0.00 C ATOM 149 CG PRO A 16 -1.529 -12.527 6.282 1.00 0.00 C ATOM 150 CD PRO A 16 -2.292 -11.337 6.898 1.00 0.00 C ATOM 0 HA PRO A 16 0.396 -9.856 5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.102 -12.460 4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.601 -12.061 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.109 -12.994 5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.336 -13.297 7.029 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.358 -11.384 6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.195 -11.316 7.983 1.00 0.00 H new ATOM 158 N ALA A 17 0.007 -9.335 3.364 1.00 0.00 N ATOM 159 CA ALA A 17 -0.259 -8.954 1.949 1.00 0.00 C ATOM 160 C ALA A 17 -0.602 -10.170 1.093 1.00 0.00 C ATOM 161 O ALA A 17 0.124 -11.142 1.037 1.00 0.00 O ATOM 162 CB ALA A 17 0.965 -8.262 1.349 1.00 0.00 C ATOM 0 H ALA A 17 0.833 -8.904 3.779 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.112 -8.276 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.758 -7.989 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.193 -7.364 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.818 -8.940 1.381 1.00 0.00 H new ATOM 168 N THR A 18 -1.690 -10.078 0.384 1.00 0.00 N ATOM 169 CA THR A 18 -2.099 -11.173 -0.537 1.00 0.00 C ATOM 170 C THR A 18 -1.690 -10.703 -1.932 1.00 0.00 C ATOM 171 O THR A 18 -1.036 -9.689 -2.035 1.00 0.00 O ATOM 172 CB THR A 18 -3.625 -11.382 -0.456 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.258 -10.772 -1.562 1.00 0.00 O ATOM 174 CG2 THR A 18 -4.177 -10.746 0.810 1.00 0.00 C ATOM 0 H THR A 18 -2.323 -9.278 0.404 1.00 0.00 H new ATOM 0 HA THR A 18 -1.631 -12.124 -0.284 1.00 0.00 H new ATOM 0 HB THR A 18 -3.819 -12.455 -0.453 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.330 -9.807 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.255 -10.901 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.708 -11.204 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.964 -9.677 0.803 1.00 0.00 H new ATOM 182 N PRO A 19 -2.067 -11.393 -2.975 1.00 0.00 N ATOM 183 CA PRO A 19 -1.705 -10.944 -4.325 1.00 0.00 C ATOM 184 C PRO A 19 -2.474 -9.658 -4.657 1.00 0.00 C ATOM 185 O PRO A 19 -2.095 -8.894 -5.527 1.00 0.00 O ATOM 186 CB PRO A 19 -2.082 -12.128 -5.222 1.00 0.00 C ATOM 187 CG PRO A 19 -3.108 -12.965 -4.425 1.00 0.00 C ATOM 188 CD PRO A 19 -2.867 -12.640 -2.937 1.00 0.00 C ATOM 0 HA PRO A 19 -0.653 -10.689 -4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.509 -11.782 -6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.203 -12.723 -5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.127 -12.713 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.975 -14.030 -4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.805 -12.498 -2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.331 -13.444 -2.433 1.00 0.00 H new ATOM 196 N GLU A 20 -3.528 -9.389 -3.934 1.00 0.00 N ATOM 197 CA GLU A 20 -4.298 -8.139 -4.176 1.00 0.00 C ATOM 198 C GLU A 20 -3.564 -6.979 -3.503 1.00 0.00 C ATOM 199 O GLU A 20 -3.404 -5.917 -4.071 1.00 0.00 O ATOM 200 CB GLU A 20 -5.702 -8.274 -3.584 1.00 0.00 C ATOM 201 CG GLU A 20 -6.742 -8.198 -4.703 1.00 0.00 C ATOM 202 CD GLU A 20 -8.101 -7.823 -4.112 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.144 -6.903 -3.312 1.00 0.00 O ATOM 204 OE2 GLU A 20 -9.077 -8.464 -4.466 1.00 0.00 O ATOM 0 H GLU A 20 -3.888 -9.982 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.384 -7.956 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.794 -9.221 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.878 -7.482 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.440 -7.459 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.809 -9.157 -5.217 1.00 0.00 H new ATOM 211 N ILE A 21 -3.095 -7.186 -2.303 1.00 0.00 N ATOM 212 CA ILE A 21 -2.347 -6.105 -1.604 1.00 0.00 C ATOM 213 C ILE A 21 -1.088 -5.837 -2.436 1.00 0.00 C ATOM 214 O ILE A 21 -0.777 -4.713 -2.780 1.00 0.00 O ATOM 215 CB ILE A 21 -2.001 -6.572 -0.175 1.00 0.00 C ATOM 216 CG1 ILE A 21 -3.274 -6.684 0.697 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.061 -5.566 0.498 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.543 -6.847 -0.151 1.00 0.00 C ATOM 0 H ILE A 21 -3.197 -8.055 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.930 -5.189 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.523 -7.548 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.177 -7.535 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.366 -5.794 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.824 -5.907 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.142 -5.483 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.547 -4.592 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.411 -6.922 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.656 -5.983 -0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.464 -7.752 -0.754 1.00 0.00 H new ATOM 230 N GLN A 22 -0.401 -6.885 -2.811 1.00 0.00 N ATOM 231 CA GLN A 22 0.806 -6.741 -3.682 1.00 0.00 C ATOM 232 C GLN A 22 0.375 -6.043 -4.979 1.00 0.00 C ATOM 233 O GLN A 22 1.175 -5.457 -5.677 1.00 0.00 O ATOM 234 CB GLN A 22 1.341 -8.142 -4.030 1.00 0.00 C ATOM 235 CG GLN A 22 2.806 -8.294 -3.617 1.00 0.00 C ATOM 236 CD GLN A 22 3.698 -7.543 -4.608 1.00 0.00 C ATOM 237 OE1 GLN A 22 3.779 -6.253 -4.503 1.00 0.00 O flip ATOM 238 NE2 GLN A 22 4.321 -8.135 -5.466 1.00 0.00 N flip ATOM 0 H GLN A 22 -0.626 -7.845 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 22 1.579 -6.166 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.739 -8.899 -3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.243 -8.316 -5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.953 -7.903 -2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.080 -9.349 -3.592 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.250 -9.150 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.916 -7.617 -6.113 1.00 0.00 H new ATOM 247 N GLU A 23 -0.891 -6.124 -5.316 1.00 0.00 N ATOM 248 CA GLU A 23 -1.377 -5.475 -6.572 1.00 0.00 C ATOM 249 C GLU A 23 -1.512 -3.959 -6.370 1.00 0.00 C ATOM 250 O GLU A 23 -1.161 -3.182 -7.229 1.00 0.00 O ATOM 251 CB GLU A 23 -2.740 -6.062 -6.950 1.00 0.00 C ATOM 252 CG GLU A 23 -2.749 -6.420 -8.439 1.00 0.00 C ATOM 253 CD GLU A 23 -4.031 -7.187 -8.772 1.00 0.00 C ATOM 254 OE1 GLU A 23 -5.076 -6.799 -8.276 1.00 0.00 O ATOM 255 OE2 GLU A 23 -3.946 -8.149 -9.518 1.00 0.00 O ATOM 0 H GLU A 23 -1.606 -6.611 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.658 -5.662 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.944 -6.949 -6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.530 -5.343 -6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.688 -5.514 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.876 -7.026 -8.684 1.00 0.00 H new ATOM 262 N ILE A 24 -2.000 -3.542 -5.237 1.00 0.00 N ATOM 263 CA ILE A 24 -2.145 -2.078 -4.951 1.00 0.00 C ATOM 264 C ILE A 24 -0.766 -1.443 -4.989 1.00 0.00 C ATOM 265 O ILE A 24 -0.536 -0.448 -5.646 1.00 0.00 O ATOM 266 CB ILE A 24 -2.740 -1.923 -3.554 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.231 -2.258 -3.596 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.557 -0.491 -3.073 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.543 -3.294 -2.518 1.00 0.00 C ATOM 0 H ILE A 24 -2.310 -4.156 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.791 -1.598 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.231 -2.601 -2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.823 -1.357 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.502 -2.645 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.983 -0.385 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.494 -0.251 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.062 0.190 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.605 -3.537 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.960 -4.197 -2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.287 -2.889 -1.539 1.00 0.00 H new ATOM 281 N VAL A 25 0.145 -2.030 -4.290 1.00 0.00 N ATOM 282 CA VAL A 25 1.525 -1.517 -4.252 1.00 0.00 C ATOM 283 C VAL A 25 2.130 -1.619 -5.643 1.00 0.00 C ATOM 284 O VAL A 25 2.798 -0.726 -6.121 1.00 0.00 O ATOM 285 CB VAL A 25 2.279 -2.407 -3.312 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.293 -3.783 -3.891 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.700 -1.950 -3.162 1.00 0.00 C ATOM 0 H VAL A 25 -0.013 -2.866 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 25 1.562 -0.477 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 25 1.795 -2.383 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.837 -4.453 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.269 -4.139 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.783 -3.763 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.225 -2.613 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.193 -1.971 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.716 -0.934 -2.769 1.00 0.00 H new ATOM 297 N ASP A 26 1.872 -2.710 -6.297 1.00 0.00 N ATOM 298 CA ASP A 26 2.391 -2.900 -7.677 1.00 0.00 C ATOM 299 C ASP A 26 1.588 -1.985 -8.593 1.00 0.00 C ATOM 300 O ASP A 26 1.936 -1.749 -9.733 1.00 0.00 O ATOM 301 CB ASP A 26 2.202 -4.359 -8.106 1.00 0.00 C ATOM 302 CG ASP A 26 2.847 -4.579 -9.476 1.00 0.00 C ATOM 303 OD1 ASP A 26 2.409 -3.948 -10.424 1.00 0.00 O ATOM 304 OD2 ASP A 26 3.766 -5.378 -9.556 1.00 0.00 O ATOM 0 H ASP A 26 1.319 -3.486 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 26 3.454 -2.662 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.651 -5.026 -7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.140 -4.601 -8.150 1.00 0.00 H new ATOM 309 N LYS A 27 0.509 -1.459 -8.078 1.00 0.00 N ATOM 310 CA LYS A 27 -0.342 -0.538 -8.885 1.00 0.00 C ATOM 311 C LYS A 27 0.040 0.906 -8.554 1.00 0.00 C ATOM 312 O LYS A 27 -0.384 1.839 -9.208 1.00 0.00 O ATOM 313 CB LYS A 27 -1.819 -0.767 -8.542 1.00 0.00 C ATOM 314 CG LYS A 27 -2.463 -1.646 -9.616 1.00 0.00 C ATOM 315 CD LYS A 27 -3.790 -2.198 -9.094 1.00 0.00 C ATOM 316 CE LYS A 27 -4.920 -1.825 -10.058 1.00 0.00 C ATOM 317 NZ LYS A 27 -5.863 -2.972 -10.185 1.00 0.00 N ATOM 0 H LYS A 27 0.179 -1.629 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.187 -0.729 -9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.907 -1.244 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.341 0.188 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.630 -1.066 -10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.794 -2.465 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.729 -3.281 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.997 -1.796 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.449 -0.945 -9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.510 -1.568 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.631 -2.719 -10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.354 -3.801 -10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.264 -3.197 -9.252 1.00 0.00 H new ATOM 331 N VAL A 28 0.837 1.093 -7.537 1.00 0.00 N ATOM 332 CA VAL A 28 1.251 2.475 -7.148 1.00 0.00 C ATOM 333 C VAL A 28 2.781 2.615 -7.208 1.00 0.00 C ATOM 334 O VAL A 28 3.317 3.691 -7.043 1.00 0.00 O ATOM 335 CB VAL A 28 0.764 2.769 -5.728 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.742 3.049 -5.752 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.041 1.562 -4.835 1.00 0.00 C ATOM 0 H VAL A 28 1.221 0.347 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 28 0.808 3.186 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 28 1.290 3.640 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.089 3.259 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.942 3.910 -6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.268 2.178 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.694 1.771 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.515 0.691 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.112 1.361 -4.817 1.00 0.00 H new ATOM 347 N LYS A 29 3.489 1.541 -7.452 1.00 0.00 N ATOM 348 CA LYS A 29 4.974 1.623 -7.536 1.00 0.00 C ATOM 349 C LYS A 29 5.395 2.786 -8.448 1.00 0.00 C ATOM 350 O LYS A 29 6.279 3.539 -8.089 1.00 0.00 O ATOM 351 CB LYS A 29 5.531 0.307 -8.086 1.00 0.00 C ATOM 352 CG LYS A 29 7.035 0.446 -8.324 1.00 0.00 C ATOM 353 CD LYS A 29 7.346 0.167 -9.794 1.00 0.00 C ATOM 354 CE LYS A 29 7.109 1.437 -10.612 1.00 0.00 C ATOM 355 NZ LYS A 29 8.104 1.508 -11.718 1.00 0.00 N ATOM 0 H LYS A 29 3.099 0.610 -7.597 1.00 0.00 H new ATOM 0 HA LYS A 29 5.374 1.799 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.337 -0.503 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.028 0.048 -9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.365 1.449 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.581 -0.250 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.380 -0.161 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.714 -0.641 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.097 1.437 -11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.196 2.316 -9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.943 2.372 -12.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.065 1.526 -11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.000 0.676 -12.333 1.00 0.00 H new ATOM 369 N PRO A 30 4.763 2.921 -9.597 1.00 0.00 N ATOM 370 CA PRO A 30 5.096 4.010 -10.529 1.00 0.00 C ATOM 371 C PRO A 30 4.587 5.338 -9.966 1.00 0.00 C ATOM 372 O PRO A 30 5.161 6.383 -10.199 1.00 0.00 O ATOM 373 CB PRO A 30 4.386 3.617 -11.828 1.00 0.00 C ATOM 374 CG PRO A 30 3.264 2.635 -11.432 1.00 0.00 C ATOM 375 CD PRO A 30 3.671 2.033 -10.072 1.00 0.00 C ATOM 0 HA PRO A 30 6.166 4.144 -10.689 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.975 4.495 -12.327 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.082 3.151 -12.525 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.306 3.150 -11.358 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.149 1.854 -12.183 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.834 2.022 -9.374 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.012 1.003 -10.178 1.00 0.00 H new ATOM 383 N GLN A 31 3.535 5.298 -9.195 1.00 0.00 N ATOM 384 CA GLN A 31 3.016 6.552 -8.583 1.00 0.00 C ATOM 385 C GLN A 31 3.842 6.859 -7.336 1.00 0.00 C ATOM 386 O GLN A 31 3.717 7.903 -6.729 1.00 0.00 O ATOM 387 CB GLN A 31 1.546 6.372 -8.196 1.00 0.00 C ATOM 388 CG GLN A 31 0.699 6.240 -9.463 1.00 0.00 C ATOM 389 CD GLN A 31 -0.777 6.120 -9.083 1.00 0.00 C ATOM 390 OE1 GLN A 31 -1.225 4.994 -8.598 1.00 0.00 O flip ATOM 391 NE2 GLN A 31 -1.533 7.061 -9.230 1.00 0.00 N flip ATOM 0 H GLN A 31 3.014 4.452 -8.963 1.00 0.00 H new ATOM 0 HA GLN A 31 3.093 7.373 -9.296 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.429 5.485 -7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.207 7.223 -7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.850 7.107 -10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.011 5.364 -10.032 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.184 7.941 -9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.516 6.970 -8.974 1.00 0.00 H new ATOM 400 N LEU A 32 4.695 5.949 -6.958 1.00 0.00 N ATOM 401 CA LEU A 32 5.548 6.164 -5.767 1.00 0.00 C ATOM 402 C LEU A 32 6.822 6.881 -6.204 1.00 0.00 C ATOM 403 O LEU A 32 7.231 7.868 -5.629 1.00 0.00 O ATOM 404 CB LEU A 32 5.900 4.811 -5.172 1.00 0.00 C ATOM 405 CG LEU A 32 4.829 4.438 -4.159 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.957 2.966 -3.821 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.008 5.277 -2.894 1.00 0.00 C ATOM 0 H LEU A 32 4.836 5.057 -7.432 1.00 0.00 H new ATOM 0 HA LEU A 32 5.026 6.766 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.960 4.056 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.878 4.851 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 32 3.841 4.631 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.192 2.692 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.828 2.372 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.943 2.774 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.240 5.009 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.993 5.086 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.919 6.334 -3.143 1.00 0.00 H new ATOM 419 N GLU A 33 7.439 6.379 -7.235 1.00 0.00 N ATOM 420 CA GLU A 33 8.693 6.994 -7.753 1.00 0.00 C ATOM 421 C GLU A 33 8.413 8.414 -8.253 1.00 0.00 C ATOM 422 O GLU A 33 9.294 9.247 -8.303 1.00 0.00 O ATOM 423 CB GLU A 33 9.217 6.148 -8.916 1.00 0.00 C ATOM 424 CG GLU A 33 10.642 5.681 -8.614 1.00 0.00 C ATOM 425 CD GLU A 33 11.629 6.429 -9.514 1.00 0.00 C ATOM 426 OE1 GLU A 33 11.197 7.328 -10.216 1.00 0.00 O ATOM 427 OE2 GLU A 33 12.800 6.090 -9.484 1.00 0.00 O ATOM 0 H GLU A 33 7.123 5.556 -7.749 1.00 0.00 H new ATOM 0 HA GLU A 33 9.432 7.035 -6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.568 5.287 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.203 6.730 -9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.881 5.862 -7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.726 4.607 -8.779 1.00 0.00 H new ATOM 434 N GLU A 34 7.197 8.693 -8.638 1.00 0.00 N ATOM 435 CA GLU A 34 6.874 10.057 -9.148 1.00 0.00 C ATOM 436 C GLU A 34 6.468 10.971 -7.990 1.00 0.00 C ATOM 437 O GLU A 34 6.640 12.173 -8.049 1.00 0.00 O ATOM 438 CB GLU A 34 5.725 9.963 -10.153 1.00 0.00 C ATOM 439 CG GLU A 34 5.513 11.327 -10.814 1.00 0.00 C ATOM 440 CD GLU A 34 4.377 11.229 -11.834 1.00 0.00 C ATOM 441 OE1 GLU A 34 3.234 11.381 -11.434 1.00 0.00 O ATOM 442 OE2 GLU A 34 4.669 11.004 -12.997 1.00 0.00 O ATOM 0 H GLU A 34 6.415 8.038 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 34 7.756 10.474 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.950 9.211 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.812 9.645 -9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.274 12.076 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.430 11.651 -11.305 1.00 0.00 H new ATOM 449 N LYS A 35 5.922 10.421 -6.940 1.00 0.00 N ATOM 450 CA LYS A 35 5.503 11.276 -5.792 1.00 0.00 C ATOM 451 C LYS A 35 6.557 11.221 -4.683 1.00 0.00 C ATOM 452 O LYS A 35 6.391 11.809 -3.633 1.00 0.00 O ATOM 453 CB LYS A 35 4.163 10.776 -5.246 1.00 0.00 C ATOM 454 CG LYS A 35 3.118 10.792 -6.363 1.00 0.00 C ATOM 455 CD LYS A 35 2.787 12.241 -6.731 1.00 0.00 C ATOM 456 CE LYS A 35 2.431 12.321 -8.218 1.00 0.00 C ATOM 457 NZ LYS A 35 1.312 13.288 -8.410 1.00 0.00 N ATOM 0 H LYS A 35 5.748 9.422 -6.827 1.00 0.00 H new ATOM 0 HA LYS A 35 5.399 12.306 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.273 9.766 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.837 11.407 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.496 10.261 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.216 10.273 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.954 12.600 -6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.639 12.886 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.301 12.636 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.143 11.337 -8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.070 13.343 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.481 12.969 -7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.603 14.228 -8.073 1.00 0.00 H new ATOM 471 N THR A 36 7.640 10.525 -4.903 1.00 0.00 N ATOM 472 CA THR A 36 8.696 10.446 -3.852 1.00 0.00 C ATOM 473 C THR A 36 10.057 10.816 -4.452 1.00 0.00 C ATOM 474 O THR A 36 11.049 10.893 -3.754 1.00 0.00 O ATOM 475 CB THR A 36 8.752 9.021 -3.290 1.00 0.00 C ATOM 476 OG1 THR A 36 9.479 9.026 -2.068 1.00 0.00 O ATOM 477 CG2 THR A 36 9.445 8.095 -4.293 1.00 0.00 C ATOM 0 H THR A 36 7.839 10.010 -5.761 1.00 0.00 H new ATOM 0 HA THR A 36 8.458 11.145 -3.050 1.00 0.00 H new ATOM 0 HB THR A 36 7.738 8.662 -3.112 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.783 8.117 -1.864 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.482 7.083 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.888 8.091 -5.230 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.459 8.450 -4.476 1.00 0.00 H new ATOM 485 N ASN A 37 10.114 11.042 -5.740 1.00 0.00 N ATOM 486 CA ASN A 37 11.410 11.404 -6.391 1.00 0.00 C ATOM 487 C ASN A 37 12.544 10.567 -5.792 1.00 0.00 C ATOM 488 O ASN A 37 13.603 11.070 -5.476 1.00 0.00 O ATOM 489 CB ASN A 37 11.705 12.893 -6.184 1.00 0.00 C ATOM 490 CG ASN A 37 11.198 13.338 -4.813 1.00 0.00 C ATOM 491 OD1 ASN A 37 10.065 13.759 -4.681 1.00 0.00 O ATOM 492 ND2 ASN A 37 11.992 13.263 -3.782 1.00 0.00 N ATOM 0 H ASN A 37 9.315 10.991 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 37 11.337 11.200 -7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.777 13.074 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.225 13.480 -6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.663 13.558 -2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.942 12.910 -3.895 1.00 0.00 H new ATOM 499 N GLU A 38 12.324 9.289 -5.639 1.00 0.00 N ATOM 500 CA GLU A 38 13.378 8.406 -5.065 1.00 0.00 C ATOM 501 C GLU A 38 13.407 7.097 -5.868 1.00 0.00 C ATOM 502 O GLU A 38 12.472 6.772 -6.569 1.00 0.00 O ATOM 503 CB GLU A 38 13.060 8.156 -3.572 1.00 0.00 C ATOM 504 CG GLU A 38 13.272 6.686 -3.168 1.00 0.00 C ATOM 505 CD GLU A 38 14.764 6.419 -2.961 1.00 0.00 C ATOM 506 OE1 GLU A 38 15.467 7.349 -2.603 1.00 0.00 O ATOM 507 OE2 GLU A 38 15.177 5.290 -3.164 1.00 0.00 O ATOM 0 H GLU A 38 11.455 8.817 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 38 14.362 8.870 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.693 8.795 -2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.027 8.441 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.723 6.468 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.878 6.026 -3.941 1.00 0.00 H new ATOM 514 N THR A 39 14.476 6.354 -5.783 1.00 0.00 N ATOM 515 CA THR A 39 14.557 5.081 -6.554 1.00 0.00 C ATOM 516 C THR A 39 13.964 3.927 -5.739 1.00 0.00 C ATOM 517 O THR A 39 14.446 3.588 -4.677 1.00 0.00 O ATOM 518 CB THR A 39 16.020 4.771 -6.868 1.00 0.00 C ATOM 519 OG1 THR A 39 16.824 5.894 -6.532 1.00 0.00 O ATOM 520 CG2 THR A 39 16.170 4.457 -8.358 1.00 0.00 C ATOM 0 H THR A 39 15.295 6.572 -5.215 1.00 0.00 H new ATOM 0 HA THR A 39 13.991 5.193 -7.479 1.00 0.00 H new ATOM 0 HB THR A 39 16.342 3.908 -6.285 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.763 5.696 -6.731 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.214 4.236 -8.580 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.555 3.594 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.848 5.317 -8.945 1.00 0.00 H new ATOM 528 N TYR A 40 12.935 3.309 -6.249 1.00 0.00 N ATOM 529 CA TYR A 40 12.309 2.156 -5.536 1.00 0.00 C ATOM 530 C TYR A 40 12.514 0.893 -6.368 1.00 0.00 C ATOM 531 O TYR A 40 13.250 0.881 -7.334 1.00 0.00 O ATOM 532 CB TYR A 40 10.802 2.388 -5.369 1.00 0.00 C ATOM 533 CG TYR A 40 10.527 3.466 -4.342 1.00 0.00 C ATOM 534 CD1 TYR A 40 11.453 3.749 -3.329 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.324 4.178 -4.405 1.00 0.00 C ATOM 536 CE1 TYR A 40 11.172 4.746 -2.386 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.043 5.171 -3.464 1.00 0.00 C ATOM 538 CZ TYR A 40 9.968 5.455 -2.452 1.00 0.00 C ATOM 539 OH TYR A 40 9.692 6.435 -1.521 1.00 0.00 O ATOM 0 H TYR A 40 12.496 3.554 -7.137 1.00 0.00 H new ATOM 0 HA TYR A 40 12.770 2.053 -4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.367 2.674 -6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.320 1.459 -5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.381 3.200 -3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.610 3.959 -5.185 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.886 4.968 -1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.114 5.719 -3.517 1.00 0.00 H new ATOM 0 HH TYR A 40 8.747 6.387 -1.266 1.00 0.00 H new ATOM 549 N GLY A 43 11.859 -0.168 -6.000 1.00 0.00 N ATOM 550 CA GLY A 43 11.991 -1.441 -6.765 1.00 0.00 C ATOM 551 C GLY A 43 10.720 -2.270 -6.572 1.00 0.00 C ATOM 552 O GLY A 43 9.756 -1.805 -5.996 1.00 0.00 O ATOM 0 H GLY A 43 11.232 -0.211 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.146 -1.230 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.861 -1.999 -6.420 1.00 0.00 H new ATOM 556 N LYS A 44 10.710 -3.494 -7.033 1.00 0.00 N ATOM 557 CA LYS A 44 9.502 -4.345 -6.851 1.00 0.00 C ATOM 558 C LYS A 44 9.018 -4.169 -5.417 1.00 0.00 C ATOM 559 O LYS A 44 9.804 -4.152 -4.491 1.00 0.00 O ATOM 560 CB LYS A 44 9.862 -5.812 -7.101 1.00 0.00 C ATOM 561 CG LYS A 44 10.683 -5.930 -8.388 1.00 0.00 C ATOM 562 CD LYS A 44 9.948 -6.829 -9.383 1.00 0.00 C ATOM 563 CE LYS A 44 10.956 -7.443 -10.357 1.00 0.00 C ATOM 564 NZ LYS A 44 10.458 -7.284 -11.753 1.00 0.00 N ATOM 0 H LYS A 44 11.485 -3.938 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 44 8.721 -4.055 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.430 -6.206 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.955 -6.411 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.842 -4.943 -8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.667 -6.343 -8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.413 -7.616 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.203 -6.251 -9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.926 -6.957 -10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.101 -8.499 -10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.143 -7.701 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.542 -7.767 -11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.341 -6.273 -11.967 1.00 0.00 H new ATOM 578 N LEU A 45 7.744 -4.011 -5.214 1.00 0.00 N ATOM 579 CA LEU A 45 7.251 -3.807 -3.839 1.00 0.00 C ATOM 580 C LEU A 45 6.534 -5.063 -3.379 1.00 0.00 C ATOM 581 O LEU A 45 5.335 -5.086 -3.234 1.00 0.00 O ATOM 582 CB LEU A 45 6.309 -2.621 -3.867 1.00 0.00 C ATOM 583 CG LEU A 45 7.019 -1.476 -4.579 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.154 -0.212 -4.513 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.378 -1.245 -3.899 1.00 0.00 C ATOM 0 H LEU A 45 7.029 -4.015 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 45 8.067 -3.611 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.386 -2.879 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.034 -2.328 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 45 7.180 -1.722 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.664 0.605 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.196 -0.401 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.986 0.060 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.900 -0.428 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.222 -0.990 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.978 -2.153 -3.966 1.00 0.00 H new ATOM 597 N GLU A 46 7.274 -6.114 -3.161 1.00 0.00 N ATOM 598 CA GLU A 46 6.643 -7.401 -2.734 1.00 0.00 C ATOM 599 C GLU A 46 5.860 -7.202 -1.438 1.00 0.00 C ATOM 600 O GLU A 46 6.368 -7.419 -0.357 1.00 0.00 O ATOM 601 CB GLU A 46 7.729 -8.459 -2.524 1.00 0.00 C ATOM 602 CG GLU A 46 7.751 -9.406 -3.725 1.00 0.00 C ATOM 603 CD GLU A 46 7.560 -10.848 -3.246 1.00 0.00 C ATOM 604 OE1 GLU A 46 6.504 -11.137 -2.710 1.00 0.00 O ATOM 605 OE2 GLU A 46 8.473 -11.636 -3.426 1.00 0.00 O ATOM 0 H GLU A 46 8.289 -6.141 -3.259 1.00 0.00 H new ATOM 0 HA GLU A 46 5.956 -7.734 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.701 -7.980 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.536 -9.018 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.961 -9.138 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.697 -9.312 -4.258 1.00 0.00 H new ATOM 612 N ALA A 47 4.619 -6.802 -1.540 1.00 0.00 N ATOM 613 CA ALA A 47 3.798 -6.589 -0.315 1.00 0.00 C ATOM 614 C ALA A 47 4.066 -7.702 0.691 1.00 0.00 C ATOM 615 O ALA A 47 4.259 -8.849 0.342 1.00 0.00 O ATOM 616 CB ALA A 47 2.318 -6.569 -0.678 1.00 0.00 C ATOM 0 H ALA A 47 4.140 -6.614 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 47 4.070 -5.632 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.725 -6.413 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.127 -5.760 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.042 -7.520 -1.134 1.00 0.00 H new ATOM 622 N VAL A 48 4.086 -7.351 1.936 1.00 0.00 N ATOM 623 CA VAL A 48 4.348 -8.344 3.006 1.00 0.00 C ATOM 624 C VAL A 48 3.203 -8.282 4.004 1.00 0.00 C ATOM 625 O VAL A 48 2.729 -9.284 4.502 1.00 0.00 O ATOM 626 CB VAL A 48 5.669 -7.963 3.687 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.662 -8.372 5.165 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.823 -8.659 2.971 1.00 0.00 C ATOM 0 H VAL A 48 3.929 -6.399 2.267 1.00 0.00 H new ATOM 0 HA VAL A 48 4.421 -9.355 2.606 1.00 0.00 H new ATOM 0 HB VAL A 48 5.791 -6.881 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.609 -8.091 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.845 -7.866 5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.527 -9.451 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.764 -8.391 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.684 -9.739 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.846 -8.345 1.928 1.00 0.00 H new ATOM 638 N GLN A 49 2.758 -7.100 4.292 1.00 0.00 N ATOM 639 CA GLN A 49 1.638 -6.941 5.255 1.00 0.00 C ATOM 640 C GLN A 49 0.721 -5.840 4.733 1.00 0.00 C ATOM 641 O GLN A 49 1.040 -5.168 3.774 1.00 0.00 O ATOM 642 CB GLN A 49 2.219 -6.601 6.645 1.00 0.00 C ATOM 643 CG GLN A 49 1.506 -5.399 7.282 1.00 0.00 C ATOM 644 CD GLN A 49 2.204 -5.037 8.598 1.00 0.00 C ATOM 645 OE1 GLN A 49 2.087 -3.928 9.077 1.00 0.00 O ATOM 646 NE2 GLN A 49 2.933 -5.935 9.206 1.00 0.00 N ATOM 0 H GLN A 49 3.121 -6.231 3.902 1.00 0.00 H new ATOM 0 HA GLN A 49 1.057 -7.858 5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.126 -7.468 7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.283 -6.385 6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.524 -4.548 6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.459 -5.638 7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.033 -6.868 8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.402 -5.703 10.081 1.00 0.00 H new ATOM 655 N TYR A 50 -0.417 -5.648 5.329 1.00 0.00 N ATOM 656 CA TYR A 50 -1.308 -4.592 4.825 1.00 0.00 C ATOM 657 C TYR A 50 -2.469 -4.355 5.784 1.00 0.00 C ATOM 658 O TYR A 50 -3.034 -5.270 6.350 1.00 0.00 O ATOM 659 CB TYR A 50 -1.835 -5.001 3.466 1.00 0.00 C ATOM 660 CG TYR A 50 -3.070 -5.866 3.595 1.00 0.00 C ATOM 661 CD1 TYR A 50 -4.334 -5.269 3.686 1.00 0.00 C ATOM 662 CD2 TYR A 50 -2.954 -7.262 3.618 1.00 0.00 C ATOM 663 CE1 TYR A 50 -5.480 -6.065 3.798 1.00 0.00 C ATOM 664 CE2 TYR A 50 -4.100 -8.058 3.730 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.363 -7.460 3.819 1.00 0.00 C ATOM 666 OH TYR A 50 -6.494 -8.245 3.930 1.00 0.00 O ATOM 0 H TYR A 50 -0.760 -6.173 6.133 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.745 -3.662 4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.070 -4.111 2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.062 -5.544 2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.424 -4.193 3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.980 -7.724 3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.454 -5.603 3.868 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.010 -9.134 3.748 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.237 -9.191 3.929 1.00 0.00 H new ATOM 676 N LYS A 51 -2.834 -3.128 5.940 1.00 0.00 N ATOM 677 CA LYS A 51 -3.983 -2.795 6.838 1.00 0.00 C ATOM 678 C LYS A 51 -5.074 -2.078 6.022 1.00 0.00 C ATOM 679 O LYS A 51 -4.796 -1.201 5.229 1.00 0.00 O ATOM 680 CB LYS A 51 -3.507 -1.902 7.989 1.00 0.00 C ATOM 681 CG LYS A 51 -2.893 -2.772 9.091 1.00 0.00 C ATOM 682 CD LYS A 51 -2.026 -1.901 10.003 1.00 0.00 C ATOM 683 CE LYS A 51 -2.563 -1.970 11.434 1.00 0.00 C ATOM 684 NZ LYS A 51 -2.116 -3.239 12.073 1.00 0.00 N ATOM 0 H LYS A 51 -2.392 -2.328 5.487 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.394 -3.712 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.772 -1.184 7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.343 -1.328 8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.681 -3.253 9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.291 -3.567 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.991 -2.243 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.031 -0.870 9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.206 -1.116 12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.652 -1.918 11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.938 -3.857 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.434 -3.719 11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.664 -3.028 12.985 1.00 0.00 H new ATOM 698 N THR A 52 -6.312 -2.462 6.200 1.00 0.00 N ATOM 699 CA THR A 52 -7.424 -1.825 5.424 1.00 0.00 C ATOM 700 C THR A 52 -7.863 -0.516 6.082 1.00 0.00 C ATOM 701 O THR A 52 -7.271 -0.050 7.035 1.00 0.00 O ATOM 702 CB THR A 52 -8.617 -2.779 5.373 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.890 -3.259 6.682 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.293 -3.955 4.452 1.00 0.00 C ATOM 0 H THR A 52 -6.604 -3.191 6.851 1.00 0.00 H new ATOM 0 HA THR A 52 -7.066 -1.612 4.417 1.00 0.00 H new ATOM 0 HB THR A 52 -9.490 -2.252 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.656 -3.870 6.653 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.144 -4.635 4.416 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.082 -3.584 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.421 -4.486 4.833 1.00 0.00 H new ATOM 712 N GLN A 53 -8.903 0.074 5.562 1.00 0.00 N ATOM 713 CA GLN A 53 -9.412 1.359 6.120 1.00 0.00 C ATOM 714 C GLN A 53 -10.814 1.609 5.572 1.00 0.00 C ATOM 715 O GLN A 53 -11.129 1.217 4.466 1.00 0.00 O ATOM 716 CB GLN A 53 -8.508 2.500 5.663 1.00 0.00 C ATOM 717 CG GLN A 53 -7.839 3.161 6.862 1.00 0.00 C ATOM 718 CD GLN A 53 -8.909 3.644 7.842 1.00 0.00 C ATOM 719 OE1 GLN A 53 -9.648 4.562 7.546 1.00 0.00 O ATOM 720 NE2 GLN A 53 -9.028 3.060 9.003 1.00 0.00 N ATOM 0 H GLN A 53 -9.429 -0.284 4.764 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.428 1.307 7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.749 2.120 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.092 3.237 5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.172 2.454 7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.227 4.001 6.533 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.408 2.289 9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.741 3.374 9.661 1.00 0.00 H new ATOM 729 N VAL A 54 -11.664 2.255 6.319 1.00 0.00 N ATOM 730 CA VAL A 54 -13.030 2.507 5.802 1.00 0.00 C ATOM 731 C VAL A 54 -13.349 4.011 5.803 1.00 0.00 C ATOM 732 O VAL A 54 -13.105 4.714 6.765 1.00 0.00 O ATOM 733 CB VAL A 54 -14.034 1.737 6.654 1.00 0.00 C ATOM 734 CG1 VAL A 54 -14.562 2.618 7.778 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.195 1.289 5.764 1.00 0.00 C ATOM 0 H VAL A 54 -11.472 2.615 7.254 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.094 2.162 4.770 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.543 0.870 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.277 2.054 8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.733 2.938 8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -15.054 3.493 7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.920 0.737 6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.676 2.164 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.817 0.647 4.969 1.00 0.00 H new ATOM 745 N VAL A 55 -13.910 4.493 4.729 1.00 0.00 N ATOM 746 CA VAL A 55 -14.277 5.936 4.633 1.00 0.00 C ATOM 747 C VAL A 55 -15.321 6.083 3.522 1.00 0.00 C ATOM 748 O VAL A 55 -16.474 5.742 3.694 1.00 0.00 O ATOM 749 CB VAL A 55 -13.034 6.765 4.291 1.00 0.00 C ATOM 750 CG1 VAL A 55 -12.281 7.128 5.571 1.00 0.00 C ATOM 751 CG2 VAL A 55 -12.116 5.949 3.378 1.00 0.00 C ATOM 0 H VAL A 55 -14.133 3.941 3.901 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.680 6.290 5.582 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.342 7.680 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.399 7.717 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.932 7.710 6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.974 6.216 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.231 6.536 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.815 5.034 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.648 5.694 2.461 1.00 0.00 H new ATOM 761 N ALA A 56 -14.922 6.546 2.368 1.00 0.00 N ATOM 762 CA ALA A 56 -15.879 6.666 1.236 1.00 0.00 C ATOM 763 C ALA A 56 -15.646 5.460 0.333 1.00 0.00 C ATOM 764 O ALA A 56 -15.819 5.505 -0.868 1.00 0.00 O ATOM 765 CB ALA A 56 -15.591 7.950 0.467 1.00 0.00 C ATOM 0 H ALA A 56 -13.969 6.847 2.162 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.910 6.697 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.291 8.041 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.704 8.806 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.572 7.922 0.082 1.00 0.00 H new ATOM 771 N GLY A 57 -15.211 4.393 0.933 1.00 0.00 N ATOM 772 CA GLY A 57 -14.897 3.148 0.186 1.00 0.00 C ATOM 773 C GLY A 57 -13.971 2.336 1.073 1.00 0.00 C ATOM 774 O GLY A 57 -14.378 1.783 2.075 1.00 0.00 O ATOM 0 H GLY A 57 -15.055 4.330 1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.806 2.591 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.420 3.377 -0.767 1.00 0.00 H new ATOM 778 N THR A 58 -12.725 2.301 0.738 1.00 0.00 N ATOM 779 CA THR A 58 -11.748 1.564 1.595 1.00 0.00 C ATOM 780 C THR A 58 -10.318 1.896 1.175 1.00 0.00 C ATOM 781 O THR A 58 -9.907 1.622 0.066 1.00 0.00 O ATOM 782 CB THR A 58 -11.959 0.052 1.486 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.331 -0.258 1.695 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.104 -0.644 2.551 1.00 0.00 C ATOM 0 H THR A 58 -12.330 2.747 -0.090 1.00 0.00 H new ATOM 0 HA THR A 58 -11.910 1.875 2.627 1.00 0.00 H new ATOM 0 HB THR A 58 -11.666 -0.291 0.494 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.723 0.394 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.246 -1.723 2.484 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.053 -0.405 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.404 -0.300 3.541 1.00 0.00 H new ATOM 792 N ASN A 59 -9.547 2.465 2.062 1.00 0.00 N ATOM 793 CA ASN A 59 -8.151 2.789 1.738 1.00 0.00 C ATOM 794 C ASN A 59 -7.323 1.518 1.847 1.00 0.00 C ATOM 795 O ASN A 59 -7.846 0.424 1.923 1.00 0.00 O ATOM 796 CB ASN A 59 -7.654 3.804 2.757 1.00 0.00 C ATOM 797 CG ASN A 59 -8.119 5.207 2.378 1.00 0.00 C ATOM 798 OD1 ASN A 59 -7.827 5.693 1.303 1.00 0.00 O ATOM 799 ND2 ASN A 59 -8.839 5.882 3.232 1.00 0.00 N ATOM 0 H ASN A 59 -9.840 2.718 3.006 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.068 3.197 0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.026 3.546 3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.566 3.776 2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.159 6.822 2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.081 5.470 4.133 1.00 0.00 H new ATOM 806 N TYR A 60 -6.041 1.658 1.878 1.00 0.00 N ATOM 807 CA TYR A 60 -5.170 0.464 2.010 1.00 0.00 C ATOM 808 C TYR A 60 -3.914 0.843 2.775 1.00 0.00 C ATOM 809 O TYR A 60 -3.510 1.986 2.806 1.00 0.00 O ATOM 810 CB TYR A 60 -4.751 -0.072 0.634 1.00 0.00 C ATOM 811 CG TYR A 60 -5.968 -0.413 -0.181 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.737 0.605 -0.745 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.322 -1.751 -0.378 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.862 0.292 -1.506 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.449 -2.069 -1.142 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.220 -1.047 -1.707 1.00 0.00 C ATOM 817 OH TYR A 60 -9.332 -1.359 -2.461 1.00 0.00 O ATOM 0 H TYR A 60 -5.550 2.550 1.818 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.731 -0.308 2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.152 0.674 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.125 -0.956 0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.460 1.638 -0.592 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.726 -2.538 0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.457 1.082 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.724 -3.102 -1.296 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.437 -2.333 -2.502 1.00 0.00 H new ATOM 827 N TYR A 61 -3.290 -0.130 3.352 1.00 0.00 N ATOM 828 CA TYR A 61 -2.026 0.084 4.099 1.00 0.00 C ATOM 829 C TYR A 61 -1.168 -1.102 3.733 1.00 0.00 C ATOM 830 O TYR A 61 -1.667 -2.197 3.591 1.00 0.00 O ATOM 831 CB TYR A 61 -2.301 0.113 5.605 1.00 0.00 C ATOM 832 CG TYR A 61 -3.105 1.341 5.966 1.00 0.00 C ATOM 833 CD1 TYR A 61 -2.935 2.535 5.255 1.00 0.00 C ATOM 834 CD2 TYR A 61 -4.024 1.279 7.020 1.00 0.00 C ATOM 835 CE1 TYR A 61 -3.684 3.666 5.599 1.00 0.00 C ATOM 836 CE2 TYR A 61 -4.774 2.410 7.363 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.604 3.604 6.654 1.00 0.00 C ATOM 838 OH TYR A 61 -5.343 4.718 6.992 1.00 0.00 O ATOM 0 H TYR A 61 -3.611 -1.098 3.339 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.545 1.031 3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.843 -0.785 5.900 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.359 0.112 6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.226 2.583 4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.154 0.358 7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.553 4.587 5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.484 2.361 8.175 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.878 5.218 7.695 1.00 0.00 H new ATOM 848 N ILE A 62 0.085 -0.924 3.473 1.00 0.00 N ATOM 849 CA ILE A 62 0.850 -2.106 3.024 1.00 0.00 C ATOM 850 C ILE A 62 2.341 -1.964 3.306 1.00 0.00 C ATOM 851 O ILE A 62 2.985 -1.033 2.869 1.00 0.00 O ATOM 852 CB ILE A 62 0.653 -2.259 1.512 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.823 -2.023 1.128 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.071 -3.671 1.109 1.00 0.00 C ATOM 855 CD1 ILE A 62 -0.962 -1.887 -0.391 1.00 0.00 C ATOM 0 H ILE A 62 0.600 -0.047 3.547 1.00 0.00 H new ATOM 0 HA ILE A 62 0.486 -2.976 3.570 1.00 0.00 H new ATOM 0 HB ILE A 62 1.262 -1.520 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.435 -2.852 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.193 -1.121 1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.937 -3.797 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.119 -3.827 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.456 -4.398 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.008 -1.721 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.365 -1.043 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.611 -2.800 -0.872 1.00 0.00 H new ATOM 867 N LYS A 63 2.908 -2.928 3.975 1.00 0.00 N ATOM 868 CA LYS A 63 4.371 -2.900 4.219 1.00 0.00 C ATOM 869 C LYS A 63 4.968 -3.790 3.136 1.00 0.00 C ATOM 870 O LYS A 63 4.984 -4.998 3.256 1.00 0.00 O ATOM 871 CB LYS A 63 4.687 -3.452 5.619 1.00 0.00 C ATOM 872 CG LYS A 63 6.096 -4.054 5.647 1.00 0.00 C ATOM 873 CD LYS A 63 7.095 -3.042 5.091 1.00 0.00 C ATOM 874 CE LYS A 63 7.385 -1.976 6.146 1.00 0.00 C ATOM 875 NZ LYS A 63 6.901 -0.653 5.661 1.00 0.00 N ATOM 0 H LYS A 63 2.418 -3.734 4.363 1.00 0.00 H new ATOM 0 HA LYS A 63 4.779 -1.890 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.610 -2.654 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.954 -4.211 5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.367 -4.325 6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.123 -4.970 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.018 -3.546 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.694 -2.577 4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.893 -2.234 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.455 -1.932 6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.067 0.067 6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.414 -0.392 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.883 -0.710 5.456 1.00 0.00 H new ATOM 889 N VAL A 64 5.384 -3.209 2.049 1.00 0.00 N ATOM 890 CA VAL A 64 5.887 -4.005 0.928 1.00 0.00 C ATOM 891 C VAL A 64 7.410 -3.981 0.870 1.00 0.00 C ATOM 892 O VAL A 64 8.035 -2.973 1.115 1.00 0.00 O ATOM 893 CB VAL A 64 5.337 -3.357 -0.332 1.00 0.00 C ATOM 894 CG1 VAL A 64 3.831 -3.129 -0.183 1.00 0.00 C ATOM 895 CG2 VAL A 64 6.028 -2.011 -0.557 1.00 0.00 C ATOM 0 H VAL A 64 5.392 -2.200 1.899 1.00 0.00 H new ATOM 0 HA VAL A 64 5.577 -5.045 1.035 1.00 0.00 H new ATOM 0 HB VAL A 64 5.523 -4.014 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.442 -2.664 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.332 -4.085 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.645 -2.475 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.634 -1.546 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.842 -1.359 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.101 -2.167 -0.668 1.00 0.00 H new ATOM 905 N ARG A 65 8.011 -5.072 0.499 1.00 0.00 N ATOM 906 CA ARG A 65 9.487 -5.076 0.379 1.00 0.00 C ATOM 907 C ARG A 65 9.836 -4.178 -0.787 1.00 0.00 C ATOM 908 O ARG A 65 9.341 -4.351 -1.882 1.00 0.00 O ATOM 909 CB ARG A 65 10.011 -6.487 0.106 1.00 0.00 C ATOM 910 CG ARG A 65 9.080 -7.525 0.738 1.00 0.00 C ATOM 911 CD ARG A 65 9.912 -8.541 1.522 1.00 0.00 C ATOM 912 NE ARG A 65 9.878 -9.860 0.829 1.00 0.00 N ATOM 913 CZ ARG A 65 10.506 -10.881 1.341 1.00 0.00 C ATOM 914 NH1 ARG A 65 10.235 -11.271 2.557 1.00 0.00 N ATOM 915 NH2 ARG A 65 11.410 -11.512 0.641 1.00 0.00 N ATOM 0 H ARG A 65 7.548 -5.953 0.276 1.00 0.00 H new ATOM 0 HA ARG A 65 9.940 -4.727 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.081 -6.656 -0.969 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.017 -6.595 0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.366 -7.035 1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.502 -8.031 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.941 -8.192 1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.521 -8.641 2.535 1.00 0.00 H new ATOM 0 HE ARG A 65 9.363 -9.964 -0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.532 -10.777 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.726 -12.070 2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.626 -11.206 -0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.901 -12.311 1.043 1.00 0.00 H new ATOM 929 N ALA A 66 10.672 -3.217 -0.541 1.00 0.00 N ATOM 930 CA ALA A 66 11.077 -2.255 -1.596 1.00 0.00 C ATOM 931 C ALA A 66 12.210 -2.852 -2.414 1.00 0.00 C ATOM 932 O ALA A 66 13.207 -2.219 -2.695 1.00 0.00 O ATOM 933 CB ALA A 66 11.555 -0.979 -0.925 1.00 0.00 C ATOM 0 H ALA A 66 11.103 -3.053 0.369 1.00 0.00 H new ATOM 0 HA ALA A 66 10.235 -2.040 -2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.857 -0.259 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.747 -0.558 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.404 -1.203 -0.280 1.00 0.00 H new ATOM 939 N GLY A 67 12.048 -4.071 -2.786 1.00 0.00 N ATOM 940 CA GLY A 67 13.093 -4.766 -3.590 1.00 0.00 C ATOM 941 C GLY A 67 14.019 -5.543 -2.653 1.00 0.00 C ATOM 942 O GLY A 67 13.655 -6.577 -2.129 1.00 0.00 O ATOM 0 H GLY A 67 11.227 -4.636 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.627 -5.445 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.666 -4.041 -4.167 1.00 0.00 H new ATOM 946 N ASP A 68 15.214 -5.055 -2.444 1.00 0.00 N ATOM 947 CA ASP A 68 16.169 -5.756 -1.551 1.00 0.00 C ATOM 948 C ASP A 68 15.561 -5.906 -0.149 1.00 0.00 C ATOM 949 O ASP A 68 14.372 -6.105 0.007 1.00 0.00 O ATOM 950 CB ASP A 68 17.471 -4.953 -1.471 1.00 0.00 C ATOM 951 CG ASP A 68 17.261 -3.714 -0.599 1.00 0.00 C ATOM 952 OD1 ASP A 68 16.445 -2.885 -0.969 1.00 0.00 O ATOM 953 OD2 ASP A 68 17.917 -3.616 0.424 1.00 0.00 O ATOM 0 H ASP A 68 15.567 -4.193 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 68 16.378 -6.748 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.266 -5.572 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.788 -4.656 -2.471 1.00 0.00 H new ATOM 958 N ASN A 92 16.365 -5.820 0.876 1.00 0.00 N ATOM 959 CA ASN A 92 15.826 -5.968 2.260 1.00 0.00 C ATOM 960 C ASN A 92 15.124 -4.677 2.697 1.00 0.00 C ATOM 961 O ASN A 92 14.579 -4.596 3.779 1.00 0.00 O ATOM 962 CB ASN A 92 16.975 -6.270 3.223 1.00 0.00 C ATOM 963 CG ASN A 92 16.878 -7.721 3.694 1.00 0.00 C ATOM 964 OD1 ASN A 92 17.610 -8.574 3.231 1.00 0.00 O ATOM 965 ND2 ASN A 92 15.997 -8.039 4.601 1.00 0.00 N ATOM 0 H ASN A 92 17.370 -5.654 0.816 1.00 0.00 H new ATOM 0 HA ASN A 92 15.106 -6.786 2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.932 -6.100 2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 92 16.934 -5.595 4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 92 15.922 -9.004 4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 92 15.383 -7.323 4.989 1.00 0.00 H new ATOM 972 N LYS A 93 15.131 -3.670 1.868 1.00 0.00 N ATOM 973 CA LYS A 93 14.462 -2.391 2.243 1.00 0.00 C ATOM 974 C LYS A 93 12.948 -2.594 2.260 1.00 0.00 C ATOM 975 O LYS A 93 12.444 -3.602 1.805 1.00 0.00 O ATOM 976 CB LYS A 93 14.820 -1.313 1.218 1.00 0.00 C ATOM 977 CG LYS A 93 16.032 -0.521 1.711 1.00 0.00 C ATOM 978 CD LYS A 93 15.574 0.550 2.703 1.00 0.00 C ATOM 979 CE LYS A 93 16.642 0.735 3.782 1.00 0.00 C ATOM 980 NZ LYS A 93 17.891 1.261 3.161 1.00 0.00 N ATOM 0 H LYS A 93 15.571 -3.677 0.948 1.00 0.00 H new ATOM 0 HA LYS A 93 14.797 -2.080 3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.040 -1.772 0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.973 -0.644 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.748 -1.191 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.543 -0.056 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.400 1.492 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.628 0.258 3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.285 1.425 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.842 -0.215 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.550 1.562 3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.334 0.515 2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.661 2.074 2.554 1.00 0.00 H new ATOM 994 N TYR A 94 12.216 -1.646 2.780 1.00 0.00 N ATOM 995 CA TYR A 94 10.735 -1.786 2.819 1.00 0.00 C ATOM 996 C TYR A 94 10.093 -0.437 2.548 1.00 0.00 C ATOM 997 O TYR A 94 10.738 0.592 2.603 1.00 0.00 O ATOM 998 CB TYR A 94 10.301 -2.288 4.190 1.00 0.00 C ATOM 999 CG TYR A 94 10.496 -3.776 4.229 1.00 0.00 C ATOM 1000 CD1 TYR A 94 9.589 -4.617 3.576 1.00 0.00 C ATOM 1001 CD2 TYR A 94 11.592 -4.312 4.903 1.00 0.00 C ATOM 1002 CE1 TYR A 94 9.779 -6.000 3.602 1.00 0.00 C ATOM 1003 CE2 TYR A 94 11.786 -5.695 4.931 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.880 -6.542 4.279 1.00 0.00 C ATOM 1005 OH TYR A 94 11.070 -7.909 4.305 1.00 0.00 O ATOM 0 H TYR A 94 12.581 -0.781 3.179 1.00 0.00 H new ATOM 0 HA TYR A 94 10.421 -2.500 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.887 -1.807 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.256 -2.037 4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.743 -4.197 3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 94 12.291 -3.658 5.403 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.078 -6.651 3.101 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.634 -6.111 5.455 1.00 0.00 H new ATOM 0 HH TYR A 94 12.028 -8.105 4.363 1.00 0.00 H new ATOM 1015 N MET A 95 8.827 -0.429 2.256 1.00 0.00 N ATOM 1016 CA MET A 95 8.149 0.859 1.981 1.00 0.00 C ATOM 1017 C MET A 95 6.669 0.746 2.329 1.00 0.00 C ATOM 1018 O MET A 95 5.931 -0.013 1.727 1.00 0.00 O ATOM 1019 CB MET A 95 8.304 1.214 0.501 1.00 0.00 C ATOM 1020 CG MET A 95 8.744 2.673 0.375 1.00 0.00 C ATOM 1021 SD MET A 95 8.249 3.320 -1.241 1.00 0.00 S ATOM 1022 CE MET A 95 6.916 4.392 -0.650 1.00 0.00 C ATOM 0 H MET A 95 8.235 -1.257 2.196 1.00 0.00 H new ATOM 0 HA MET A 95 8.602 1.642 2.590 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.039 0.559 0.033 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.360 1.060 -0.023 1.00 0.00 H new ATOM 0 HG2 MET A 95 8.295 3.269 1.170 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.825 2.749 0.493 1.00 0.00 H new ATOM 0 HE1 MET A 95 6.909 5.316 -1.227 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.960 3.883 -0.769 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.075 4.623 0.403 1.00 0.00 H new ATOM 1032 N HIS A 96 6.230 1.509 3.288 1.00 0.00 N ATOM 1033 CA HIS A 96 4.796 1.476 3.667 1.00 0.00 C ATOM 1034 C HIS A 96 4.021 2.201 2.572 1.00 0.00 C ATOM 1035 O HIS A 96 4.499 3.163 2.003 1.00 0.00 O ATOM 1036 CB HIS A 96 4.593 2.192 5.003 1.00 0.00 C ATOM 1037 CG HIS A 96 4.452 1.184 6.110 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.154 -0.153 6.100 1.00 0.00 N flip ATOM 1039 CD2 HIS A 96 4.625 1.523 7.442 1.00 0.00 C flip ATOM 1040 CE1 HIS A 96 4.148 -0.641 7.404 1.00 0.00 C flip ATOM 1041 NE2 HIS A 96 4.429 0.417 8.171 1.00 0.00 N flip ATOM 0 H HIS A 96 6.806 2.156 3.827 1.00 0.00 H new ATOM 0 HA HIS A 96 4.449 0.448 3.773 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.438 2.850 5.205 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.704 2.821 4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.873 2.502 7.824 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.958 -1.654 7.726 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.487 0.386 9.189 1.00 0.00 H new ATOM 1049 N LEU A 97 2.850 1.752 2.248 1.00 0.00 N ATOM 1050 CA LEU A 97 2.089 2.429 1.163 1.00 0.00 C ATOM 1051 C LEU A 97 0.596 2.385 1.443 1.00 0.00 C ATOM 1052 O LEU A 97 0.031 1.341 1.705 1.00 0.00 O ATOM 1053 CB LEU A 97 2.355 1.714 -0.153 1.00 0.00 C ATOM 1054 CG LEU A 97 1.532 2.383 -1.244 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.473 3.051 -2.244 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.683 1.326 -1.950 1.00 0.00 C ATOM 0 H LEU A 97 2.386 0.953 2.680 1.00 0.00 H new ATOM 0 HA LEU A 97 2.412 3.469 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.416 1.757 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.089 0.660 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 97 0.877 3.138 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.889 3.532 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.077 3.799 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.126 2.299 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.091 1.799 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.334 0.572 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.018 0.852 -1.228 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.061 3.506 1.355 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.522 3.509 1.579 1.00 0.00 C ATOM 1070 C LYS A 98 -2.212 3.905 0.273 1.00 0.00 C ATOM 1071 O LYS A 98 -1.844 4.862 -0.378 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.895 4.469 2.718 1.00 0.00 C ATOM 1073 CG LYS A 98 -1.749 5.929 2.276 1.00 0.00 C ATOM 1074 CD LYS A 98 -2.576 6.817 3.212 1.00 0.00 C ATOM 1075 CE LYS A 98 -2.083 8.262 3.129 1.00 0.00 C ATOM 1076 NZ LYS A 98 -1.237 8.564 4.318 1.00 0.00 N ATOM 0 H LYS A 98 0.352 4.413 1.139 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.854 2.514 1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.921 4.282 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.256 4.281 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.701 6.227 2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.089 6.047 1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.630 6.767 2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.495 6.454 4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.510 8.411 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.931 8.946 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.712 9.447 4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.842 8.671 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.565 7.785 4.473 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.189 3.149 -0.130 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.896 3.446 -1.406 1.00 0.00 C ATOM 1092 C VAL A 99 -5.365 3.764 -1.084 1.00 0.00 C ATOM 1093 O VAL A 99 -5.833 3.491 0.000 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.822 2.185 -2.301 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -5.097 2.051 -3.131 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.637 2.258 -3.269 1.00 0.00 C ATOM 0 H VAL A 99 -3.533 2.331 0.373 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.441 4.294 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.701 1.327 -1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.032 1.160 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.957 1.966 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.213 2.931 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.613 1.358 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.745 3.132 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.709 2.336 -2.703 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.116 4.302 -2.017 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.552 4.555 -1.722 1.00 0.00 C ATOM 1108 C PHE A 100 -8.386 4.023 -2.887 1.00 0.00 C ATOM 1109 O PHE A 100 -8.195 4.403 -4.027 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.816 6.052 -1.524 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.232 6.270 -1.041 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -9.862 5.317 -0.230 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -9.918 7.432 -1.416 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.176 5.530 0.207 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.231 7.643 -0.979 1.00 0.00 C ATOM 1116 CZ PHE A 100 -11.861 6.691 -0.169 1.00 0.00 C ATOM 0 H PHE A 100 -5.800 4.570 -2.949 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.827 4.046 -0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.110 6.461 -0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.657 6.584 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.335 4.419 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.434 8.166 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.661 4.797 0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -11.758 8.541 -1.267 1.00 0.00 H new ATOM 0 HZ PHE A 100 -12.875 6.852 0.166 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.312 3.144 -2.617 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.154 2.614 -3.720 1.00 0.00 C ATOM 1128 C LYS A 101 -11.435 3.416 -3.751 1.00 0.00 C ATOM 1129 O LYS A 101 -12.125 3.558 -2.762 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.496 1.144 -3.505 1.00 0.00 C ATOM 1131 CG LYS A 101 -11.050 0.557 -4.806 1.00 0.00 C ATOM 1132 CD LYS A 101 -12.409 -0.095 -4.540 1.00 0.00 C ATOM 1133 CE LYS A 101 -13.130 -0.331 -5.870 1.00 0.00 C ATOM 1134 NZ LYS A 101 -12.400 -1.368 -6.653 1.00 0.00 N ATOM 0 H LYS A 101 -9.519 2.774 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.605 2.698 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.608 0.594 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.230 1.043 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.153 1.342 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.355 -0.180 -5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.274 -1.040 -4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.012 0.545 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.156 -0.652 -5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.183 0.598 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.958 -1.627 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.479 -0.991 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.253 -2.210 -6.061 1.00 0.00 H new ATOM 1257 N LEU A 108 -8.039 3.119 -8.208 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.370 3.284 -6.889 1.00 0.00 C ATOM 1259 C LEU A 108 -6.370 4.406 -6.958 1.00 0.00 C ATOM 1260 O LEU A 108 -6.176 5.044 -7.974 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.642 2.003 -6.499 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.622 1.081 -5.791 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.773 0.772 -6.739 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.904 -0.213 -5.399 1.00 0.00 C ATOM 0 HA LEU A 108 -8.133 3.510 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.236 1.514 -7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.799 2.231 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.009 1.559 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.484 0.111 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.273 1.699 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.386 0.284 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.603 -0.877 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.523 -0.703 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.074 0.019 -4.732 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.771 4.670 -5.855 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.806 5.785 -5.793 1.00 0.00 C ATOM 1278 C VAL A 109 -3.710 5.494 -4.780 1.00 0.00 C ATOM 1279 O VAL A 109 -3.872 4.698 -3.879 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.582 6.990 -5.316 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.096 6.690 -3.928 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.694 8.231 -5.271 1.00 0.00 C ATOM 0 H VAL A 109 -5.905 4.160 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.343 5.940 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.403 7.190 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.662 7.545 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.743 5.813 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.255 6.495 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.278 9.084 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.862 8.059 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.307 8.438 -6.269 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.617 6.183 -4.891 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.531 6.028 -3.931 1.00 0.00 C ATOM 1294 C LEU A 110 -1.730 7.167 -2.930 1.00 0.00 C ATOM 1295 O LEU A 110 -1.225 8.258 -3.093 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.226 6.156 -4.710 1.00 0.00 C ATOM 1297 CG LEU A 110 0.873 6.720 -3.835 1.00 0.00 C ATOM 1298 CD1 LEU A 110 1.014 5.852 -2.590 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.167 6.710 -4.631 1.00 0.00 C ATOM 0 H LEU A 110 -2.438 6.862 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.511 5.073 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.072 5.179 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.376 6.803 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 110 0.638 7.739 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.804 6.252 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.073 5.849 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.266 4.833 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.974 7.113 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.408 5.687 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.049 7.323 -5.525 1.00 0.00 H new ATOM 1311 N THR A 111 -2.538 6.945 -1.934 1.00 0.00 N ATOM 1312 CA THR A 111 -2.839 8.042 -0.975 1.00 0.00 C ATOM 1313 C THR A 111 -1.610 8.391 -0.135 1.00 0.00 C ATOM 1314 O THR A 111 -1.519 9.474 0.408 1.00 0.00 O ATOM 1315 CB THR A 111 -3.997 7.620 -0.075 1.00 0.00 C ATOM 1316 OG1 THR A 111 -3.909 6.227 0.190 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.318 7.922 -0.789 1.00 0.00 C ATOM 0 H THR A 111 -3.001 6.057 -1.742 1.00 0.00 H new ATOM 0 HA THR A 111 -3.120 8.933 -1.536 1.00 0.00 H new ATOM 0 HB THR A 111 -3.952 8.168 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.652 5.957 0.769 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.152 7.624 -0.153 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.384 8.990 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.360 7.367 -1.726 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.656 7.510 -0.027 1.00 0.00 N ATOM 1326 CA GLY A 112 0.554 7.856 0.775 1.00 0.00 C ATOM 1327 C GLY A 112 1.532 6.685 0.815 1.00 0.00 C ATOM 1328 O GLY A 112 1.465 5.772 0.019 1.00 0.00 O ATOM 0 H GLY A 112 -0.658 6.582 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.043 8.730 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.259 8.124 1.790 1.00 0.00 H new ATOM 1332 N TYR A 113 2.455 6.724 1.738 1.00 0.00 N ATOM 1333 CA TYR A 113 3.460 5.649 1.847 1.00 0.00 C ATOM 1334 C TYR A 113 4.569 6.103 2.793 1.00 0.00 C ATOM 1335 O TYR A 113 5.066 7.208 2.693 1.00 0.00 O ATOM 1336 CB TYR A 113 4.076 5.401 0.482 1.00 0.00 C ATOM 1337 CG TYR A 113 4.516 6.721 -0.102 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.780 7.232 0.213 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.658 7.443 -0.941 1.00 0.00 C ATOM 1340 CE1 TYR A 113 6.189 8.463 -0.311 1.00 0.00 C ATOM 1341 CE2 TYR A 113 4.066 8.676 -1.464 1.00 0.00 C ATOM 1342 CZ TYR A 113 5.333 9.187 -1.150 1.00 0.00 C ATOM 1343 OH TYR A 113 5.736 10.402 -1.663 1.00 0.00 O ATOM 0 H TYR A 113 2.549 7.470 2.427 1.00 0.00 H new ATOM 0 HA TYR A 113 2.985 4.741 2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.927 4.725 0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.353 4.920 -0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.441 6.675 0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.682 7.049 -1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.166 8.855 -0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.404 9.234 -2.110 1.00 0.00 H new ATOM 0 HH TYR A 113 5.488 10.456 -2.610 1.00 0.00 H new ATOM 1353 N GLN A 114 4.992 5.255 3.683 1.00 0.00 N ATOM 1354 CA GLN A 114 6.102 5.643 4.595 1.00 0.00 C ATOM 1355 C GLN A 114 7.387 5.132 3.957 1.00 0.00 C ATOM 1356 O GLN A 114 7.668 3.957 3.977 1.00 0.00 O ATOM 1357 CB GLN A 114 5.940 5.008 5.987 1.00 0.00 C ATOM 1358 CG GLN A 114 4.464 4.741 6.302 1.00 0.00 C ATOM 1359 CD GLN A 114 3.925 5.840 7.220 1.00 0.00 C ATOM 1360 OE1 GLN A 114 3.696 7.028 6.733 1.00 0.00 O flip ATOM 1361 NE2 GLN A 114 3.714 5.615 8.395 1.00 0.00 N flip ATOM 0 H GLN A 114 4.621 4.315 3.820 1.00 0.00 H new ATOM 0 HA GLN A 114 6.110 6.724 4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.500 4.074 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.363 5.669 6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.885 4.709 5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.355 3.768 6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.893 4.686 8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.358 6.355 9.000 1.00 0.00 H new ATOM 1370 N VAL A 115 8.155 5.985 3.357 1.00 0.00 N ATOM 1371 CA VAL A 115 9.378 5.503 2.695 1.00 0.00 C ATOM 1372 C VAL A 115 10.374 4.986 3.724 1.00 0.00 C ATOM 1373 O VAL A 115 10.321 5.312 4.894 1.00 0.00 O ATOM 1374 CB VAL A 115 9.977 6.643 1.894 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.735 7.571 2.825 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.922 6.080 0.846 1.00 0.00 C ATOM 0 H VAL A 115 7.987 6.989 3.298 1.00 0.00 H new ATOM 0 HA VAL A 115 9.134 4.677 2.027 1.00 0.00 H new ATOM 0 HB VAL A 115 9.182 7.202 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.166 8.391 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.052 7.973 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.532 7.017 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 115 11.354 6.898 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.719 5.522 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.372 5.416 0.179 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.284 4.177 3.278 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.312 3.610 4.194 1.00 0.00 C ATOM 1388 C ASP A 115A 11.661 3.103 5.491 1.00 0.00 C ATOM 1389 O ASP A 115A 12.259 3.158 6.547 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.324 4.702 4.536 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.745 4.157 4.387 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 15.068 3.205 5.080 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.487 4.702 3.587 1.00 0.00 O ATOM 0 H ASP A 115A 11.364 3.878 2.306 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.805 2.773 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.183 5.560 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 13.164 5.052 5.556 1.00 0.00 H new ATOM 1398 N LYS A 116 10.448 2.604 5.437 1.00 0.00 N ATOM 1399 CA LYS A 116 9.803 2.102 6.682 1.00 0.00 C ATOM 1400 C LYS A 116 10.125 0.614 6.853 1.00 0.00 C ATOM 1401 O LYS A 116 9.925 -0.184 5.958 1.00 0.00 O ATOM 1402 CB LYS A 116 8.288 2.315 6.594 1.00 0.00 C ATOM 1403 CG LYS A 116 7.830 3.174 7.769 1.00 0.00 C ATOM 1404 CD LYS A 116 8.568 4.518 7.759 1.00 0.00 C ATOM 1405 CE LYS A 116 8.500 5.140 9.154 1.00 0.00 C ATOM 1406 NZ LYS A 116 8.882 6.577 9.075 1.00 0.00 N ATOM 0 H LYS A 116 9.885 2.525 4.590 1.00 0.00 H new ATOM 0 HA LYS A 116 10.184 2.648 7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.032 2.800 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.773 1.355 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.754 3.341 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.021 2.652 8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.607 4.374 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 116 8.118 5.188 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.493 5.042 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.169 4.611 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 8.836 7.001 10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.851 6.659 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.226 7.076 8.441 1.00 0.00 H new ATOM 1420 N ASN A 117 10.638 0.244 7.995 1.00 0.00 N ATOM 1421 CA ASN A 117 11.002 -1.186 8.233 1.00 0.00 C ATOM 1422 C ASN A 117 9.738 -2.046 8.318 1.00 0.00 C ATOM 1423 O ASN A 117 8.632 -1.547 8.366 1.00 0.00 O ATOM 1424 CB ASN A 117 11.781 -1.304 9.549 1.00 0.00 C ATOM 1425 CG ASN A 117 12.606 -0.034 9.783 1.00 0.00 C ATOM 1426 OD1 ASN A 117 13.203 0.538 8.773 1.00 0.00 O flip ATOM 1427 ND2 ASN A 117 12.706 0.444 10.895 1.00 0.00 N flip ATOM 0 H ASN A 117 10.822 0.872 8.778 1.00 0.00 H new ATOM 0 HA ASN A 117 11.618 -1.535 7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.090 -1.457 10.378 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.437 -2.174 9.516 1.00 0.00 H new ATOM 0 HD21 ASN A 117 12.240 -0.002 11.685 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.256 1.291 11.038 1.00 0.00 H new ATOM 1434 N LYS A 118 9.902 -3.343 8.334 1.00 0.00 N ATOM 1435 CA LYS A 118 8.730 -4.250 8.411 1.00 0.00 C ATOM 1436 C LYS A 118 7.992 -4.021 9.729 1.00 0.00 C ATOM 1437 O LYS A 118 6.835 -3.650 9.747 1.00 0.00 O ATOM 1438 CB LYS A 118 9.193 -5.714 8.342 1.00 0.00 C ATOM 1439 CG LYS A 118 10.675 -5.854 8.706 1.00 0.00 C ATOM 1440 CD LYS A 118 10.944 -7.277 9.198 1.00 0.00 C ATOM 1441 CE LYS A 118 11.795 -8.020 8.169 1.00 0.00 C ATOM 1442 NZ LYS A 118 10.905 -8.657 7.158 1.00 0.00 N ATOM 0 H LYS A 118 10.807 -3.812 8.297 1.00 0.00 H new ATOM 0 HA LYS A 118 8.065 -4.041 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 118 8.592 -6.319 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 118 9.026 -6.102 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 118 11.297 -5.634 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 118 10.941 -5.133 9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 118 11.458 -7.250 10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 118 10.002 -7.803 9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 118 12.482 -7.328 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 118 12.403 -8.778 8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.064 -9.685 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 9.912 -8.462 7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.117 -8.270 6.216 1.00 0.00 H new ATOM 1456 N ASP A 119 8.654 -4.246 10.832 1.00 0.00 N ATOM 1457 CA ASP A 119 8.004 -4.051 12.159 1.00 0.00 C ATOM 1458 C ASP A 119 7.133 -2.794 12.135 1.00 0.00 C ATOM 1459 O ASP A 119 6.123 -2.713 12.807 1.00 0.00 O ATOM 1460 CB ASP A 119 9.083 -3.892 13.234 1.00 0.00 C ATOM 1461 CG ASP A 119 8.528 -4.341 14.586 1.00 0.00 C ATOM 1462 OD1 ASP A 119 7.644 -5.182 14.592 1.00 0.00 O ATOM 1463 OD2 ASP A 119 8.996 -3.836 15.593 1.00 0.00 O ATOM 0 H ASP A 119 9.624 -4.559 10.870 1.00 0.00 H new ATOM 0 HA ASP A 119 7.381 -4.918 12.381 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.960 -4.485 12.974 1.00 0.00 H new ATOM 0 HB3 ASP A 119 9.406 -2.852 13.289 1.00 0.00 H new ATOM 1468 N ASP A 120 7.516 -1.809 11.372 1.00 0.00 N ATOM 1469 CA ASP A 120 6.714 -0.558 11.314 1.00 0.00 C ATOM 1470 C ASP A 120 5.251 -0.888 11.047 1.00 0.00 C ATOM 1471 O ASP A 120 4.907 -1.482 10.045 1.00 0.00 O ATOM 1472 CB ASP A 120 7.236 0.341 10.196 1.00 0.00 C ATOM 1473 CG ASP A 120 7.201 1.797 10.662 1.00 0.00 C ATOM 1474 OD1 ASP A 120 6.111 2.305 10.870 1.00 0.00 O ATOM 1475 OD2 ASP A 120 8.263 2.379 10.802 1.00 0.00 O ATOM 0 H ASP A 120 8.351 -1.817 10.786 1.00 0.00 H new ATOM 0 HA ASP A 120 6.801 -0.042 12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.254 0.056 9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.627 0.219 9.301 1.00 0.00 H new ATOM 1480 N GLU A 121 4.384 -0.486 11.928 1.00 0.00 N ATOM 1481 CA GLU A 121 2.939 -0.748 11.723 1.00 0.00 C ATOM 1482 C GLU A 121 2.360 0.421 10.923 1.00 0.00 C ATOM 1483 O GLU A 121 2.649 1.569 11.197 1.00 0.00 O ATOM 1484 CB GLU A 121 2.247 -0.847 13.087 1.00 0.00 C ATOM 1485 CG GLU A 121 1.430 -2.139 13.156 1.00 0.00 C ATOM 1486 CD GLU A 121 1.421 -2.662 14.595 1.00 0.00 C ATOM 1487 OE1 GLU A 121 2.395 -2.434 15.294 1.00 0.00 O ATOM 1488 OE2 GLU A 121 0.440 -3.283 14.972 1.00 0.00 O ATOM 0 H GLU A 121 4.616 0.015 12.785 1.00 0.00 H new ATOM 0 HA GLU A 121 2.785 -1.683 11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.990 -0.831 13.885 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.597 0.015 13.240 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.410 -1.955 12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.857 -2.888 12.488 1.00 0.00 H new ATOM 1495 N LEU A 122 1.564 0.152 9.926 1.00 0.00 N ATOM 1496 CA LEU A 122 0.991 1.267 9.118 1.00 0.00 C ATOM 1497 C LEU A 122 0.070 2.082 10.009 1.00 0.00 C ATOM 1498 O LEU A 122 0.093 3.296 10.004 1.00 0.00 O ATOM 1499 CB LEU A 122 0.253 0.680 7.924 1.00 0.00 C ATOM 1500 CG LEU A 122 1.234 -0.259 7.242 1.00 0.00 C ATOM 1501 CD1 LEU A 122 0.897 -1.696 7.586 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.210 -0.080 5.733 1.00 0.00 C ATOM 0 H LEU A 122 1.286 -0.786 9.636 1.00 0.00 H new ATOM 0 HA LEU A 122 1.772 1.926 8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.641 0.145 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.072 1.466 7.242 1.00 0.00 H new ATOM 0 HG LEU A 122 2.235 -0.018 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.604 -2.363 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 122 0.957 -1.836 8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.113 -1.924 7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.922 -0.766 5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.209 -0.292 5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.482 0.946 5.484 1.00 0.00 H new ATOM 1514 N THR A 123 -0.693 1.424 10.827 1.00 0.00 N ATOM 1515 CA THR A 123 -1.563 2.157 11.784 1.00 0.00 C ATOM 1516 C THR A 123 -2.466 3.159 11.058 1.00 0.00 C ATOM 1517 O THR A 123 -2.683 3.084 9.865 1.00 0.00 O ATOM 1518 CB THR A 123 -0.671 2.910 12.798 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.737 4.309 12.557 1.00 0.00 O ATOM 1520 CG2 THR A 123 0.788 2.457 12.665 1.00 0.00 C ATOM 0 H THR A 123 -0.754 0.407 10.876 1.00 0.00 H new ATOM 0 HA THR A 123 -2.200 1.437 12.298 1.00 0.00 H new ATOM 0 HB THR A 123 -1.032 2.688 13.802 1.00 0.00 H new ATOM 0 HG1 THR A 123 -1.067 4.764 13.360 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.403 2.996 13.385 1.00 0.00 H new ATOM 0 HG22 THR A 123 0.856 1.387 12.859 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.143 2.666 11.656 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.991 4.095 11.799 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.901 5.137 11.222 1.00 0.00 C ATOM 1530 C GLY A 124 -3.305 5.741 9.952 1.00 0.00 C ATOM 1531 O GLY A 124 -3.999 6.350 9.161 1.00 0.00 O ATOM 0 H GLY A 124 -2.827 4.187 12.801 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.871 4.694 10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.072 5.923 11.957 1.00 0.00 H new ATOM 1535 N PHE A 125 -2.035 5.581 9.746 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.410 6.153 8.519 1.00 0.00 C ATOM 1537 C PHE A 125 -1.976 5.428 7.291 1.00 0.00 C ATOM 1538 O PHE A 125 -2.648 6.075 6.504 1.00 0.00 O ATOM 1539 CB PHE A 125 0.125 5.997 8.603 1.00 0.00 C ATOM 1540 CG PHE A 125 0.704 5.619 7.257 1.00 0.00 C ATOM 1541 CD1 PHE A 125 1.004 6.614 6.319 1.00 0.00 C ATOM 1542 CD2 PHE A 125 0.934 4.271 6.946 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.529 6.262 5.072 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.462 3.921 5.699 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.756 4.919 4.761 1.00 0.00 C ATOM 1546 OXT PHE A 125 -1.728 4.241 7.162 1.00 0.00 O ATOM 0 H PHE A 125 -1.400 5.082 10.368 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.638 7.215 8.434 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.571 6.930 8.946 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.377 5.234 9.339 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.830 7.653 6.558 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.703 3.503 7.669 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.759 7.029 4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.643 2.883 5.460 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.159 4.650 3.796 1.00 0.00 H new