USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 632 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 58 MET CE :methyl -147:sc= -1.81 (180deg=-5.83!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -125:sc= 0.944 (180deg=0.0322) USER MOD Set 2.1: A 8 THR OG1 : rot 140:sc= 0 USER MOD Set 2.2: A 11 MET CE :methyl -99:sc= -2.99! (180deg=-6.53!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -3.32! C(o=-3.3!,f=-4.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.06 F(o=-2.6!,f=-1.1) USER MOD Single : A 23 MET CE :methyl -137:sc= -4.59! (180deg=-8.69!) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 35 MET CE :methyl -157:sc= -5.09! (180deg=-7.29!) USER MOD Single : A 36 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.7!) USER MOD Single : A 38 THR OG1 : rot -140:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -140:sc= 0.075 (180deg=-1.62!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.844 USER MOD Single : A 46 MET CE :methyl -144:sc= -0.683 (180deg=-3.9!) USER MOD Single : A 52 ASN : amide:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : B 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.629 F(o=-3.8!,f=-0.63) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 11 LYS NZ :NH3+ -161:sc= 0.0218 (180deg=-0.27) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 134:sc= -0.832 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -8.261 -6.834 -5.509 1.00 0.00 N ATOM 95 CA THR A 8 -8.849 -5.736 -4.756 1.00 0.00 C ATOM 96 C THR A 8 -9.873 -5.001 -5.606 1.00 0.00 C ATOM 97 O THR A 8 -10.855 -4.474 -5.088 1.00 0.00 O ATOM 98 CB THR A 8 -7.763 -4.767 -4.285 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.316 -3.760 -3.455 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.037 -4.078 -5.419 1.00 0.00 C ATOM 0 HA THR A 8 -9.351 -6.149 -3.881 1.00 0.00 H new ATOM 0 HB THR A 8 -7.047 -5.382 -3.740 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.706 -3.580 -2.709 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.281 -3.406 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.556 -4.825 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.750 -3.506 -6.013 1.00 0.00 H new ATOM 108 N ALA A 9 -9.652 -4.991 -6.918 1.00 0.00 N ATOM 109 CA ALA A 9 -10.595 -4.373 -7.838 1.00 0.00 C ATOM 110 C ALA A 9 -11.955 -5.038 -7.693 1.00 0.00 C ATOM 111 O ALA A 9 -12.996 -4.382 -7.753 1.00 0.00 O ATOM 112 CB ALA A 9 -10.094 -4.481 -9.270 1.00 0.00 C ATOM 0 H ALA A 9 -8.832 -5.402 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.689 -3.315 -7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.813 -4.013 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.132 -3.976 -9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.978 -5.531 -9.537 1.00 0.00 H new ATOM 118 N SER A 10 -11.929 -6.347 -7.459 1.00 0.00 N ATOM 119 CA SER A 10 -13.148 -7.109 -7.241 1.00 0.00 C ATOM 120 C SER A 10 -13.741 -6.755 -5.886 1.00 0.00 C ATOM 121 O SER A 10 -14.960 -6.663 -5.736 1.00 0.00 O ATOM 122 CB SER A 10 -12.862 -8.609 -7.312 1.00 0.00 C ATOM 123 OG SER A 10 -13.980 -9.320 -7.815 1.00 0.00 O ATOM 0 H SER A 10 -11.073 -6.900 -7.416 1.00 0.00 H new ATOM 0 HA SER A 10 -13.864 -6.856 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.997 -8.787 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.608 -8.981 -6.320 1.00 0.00 H new ATOM 0 HG SER A 10 -13.770 -10.276 -7.852 1.00 0.00 H new ATOM 129 N MET A 11 -12.867 -6.518 -4.907 1.00 0.00 N ATOM 130 CA MET A 11 -13.317 -6.138 -3.572 1.00 0.00 C ATOM 131 C MET A 11 -14.021 -4.793 -3.614 1.00 0.00 C ATOM 132 O MET A 11 -15.016 -4.585 -2.926 1.00 0.00 O ATOM 133 CB MET A 11 -12.142 -6.063 -2.598 1.00 0.00 C ATOM 134 CG MET A 11 -11.250 -7.292 -2.625 1.00 0.00 C ATOM 135 SD MET A 11 -10.646 -7.751 -0.990 1.00 0.00 S ATOM 136 CE MET A 11 -9.412 -6.482 -0.715 1.00 0.00 C ATOM 0 H MET A 11 -11.855 -6.582 -5.013 1.00 0.00 H new ATOM 0 HA MET A 11 -14.013 -6.902 -3.226 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.542 -5.184 -2.833 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.527 -5.926 -1.587 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.804 -8.128 -3.051 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.401 -7.105 -3.282 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.423 -6.881 -0.942 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.617 -5.629 -1.362 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.444 -6.163 0.327 1.00 0.00 H new ATOM 146 N LEU A 12 -13.497 -3.884 -4.431 1.00 0.00 N ATOM 147 CA LEU A 12 -14.079 -2.560 -4.574 1.00 0.00 C ATOM 148 C LEU A 12 -15.563 -2.671 -4.892 1.00 0.00 C ATOM 149 O LEU A 12 -16.400 -2.037 -4.248 1.00 0.00 O ATOM 150 CB LEU A 12 -13.357 -1.790 -5.682 1.00 0.00 C ATOM 151 CG LEU A 12 -11.853 -1.578 -5.465 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.287 -0.664 -6.540 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.578 -1.008 -4.081 1.00 0.00 C ATOM 0 H LEU A 12 -12.668 -4.044 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.963 -2.019 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.499 -2.322 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.832 -0.815 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.359 -2.547 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.219 -0.523 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.444 -1.114 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.791 0.302 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.505 -0.867 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.085 -0.049 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.947 -1.699 -3.323 1.00 0.00 H new ATOM 165 N ALA A 13 -15.882 -3.502 -5.879 1.00 0.00 N ATOM 166 CA ALA A 13 -17.264 -3.737 -6.267 1.00 0.00 C ATOM 167 C ALA A 13 -18.035 -4.449 -5.158 1.00 0.00 C ATOM 168 O ALA A 13 -19.240 -4.248 -5.002 1.00 0.00 O ATOM 169 CB ALA A 13 -17.316 -4.548 -7.554 1.00 0.00 C ATOM 0 H ALA A 13 -15.197 -4.025 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.738 -2.770 -6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.355 -4.718 -7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.810 -4.001 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.820 -5.506 -7.400 1.00 0.00 H new ATOM 175 N SER A 14 -17.338 -5.297 -4.405 1.00 0.00 N ATOM 176 CA SER A 14 -17.966 -6.064 -3.333 1.00 0.00 C ATOM 177 C SER A 14 -17.677 -5.461 -1.959 1.00 0.00 C ATOM 178 O SER A 14 -17.664 -6.172 -0.953 1.00 0.00 O ATOM 179 CB SER A 14 -17.479 -7.514 -3.372 1.00 0.00 C ATOM 180 OG SER A 14 -18.548 -8.419 -3.151 1.00 0.00 O ATOM 0 H SER A 14 -16.339 -5.470 -4.518 1.00 0.00 H new ATOM 0 HA SER A 14 -19.044 -6.032 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.018 -7.720 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.710 -7.663 -2.614 1.00 0.00 H new ATOM 0 HG SER A 14 -18.210 -9.338 -3.183 1.00 0.00 H new ATOM 186 N ALA A 15 -17.451 -4.152 -1.917 1.00 0.00 N ATOM 187 CA ALA A 15 -17.171 -3.469 -0.658 1.00 0.00 C ATOM 188 C ALA A 15 -17.906 -2.134 -0.579 1.00 0.00 C ATOM 189 O ALA A 15 -17.625 -1.219 -1.353 1.00 0.00 O ATOM 190 CB ALA A 15 -15.678 -3.253 -0.485 1.00 0.00 C ATOM 0 H ALA A 15 -17.456 -3.545 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.530 -4.106 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.491 -2.742 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.169 -4.217 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.301 -2.645 -1.307 1.00 0.00 H new ATOM 241 N GLU A 19 -16.369 0.489 3.556 1.00 0.00 N ATOM 242 CA GLU A 19 -15.424 -0.623 3.513 1.00 0.00 C ATOM 243 C GLU A 19 -14.087 -0.193 2.916 1.00 0.00 C ATOM 244 O GLU A 19 -13.260 -1.032 2.563 1.00 0.00 O ATOM 245 CB GLU A 19 -16.006 -1.776 2.692 1.00 0.00 C ATOM 246 CG GLU A 19 -15.773 -3.145 3.306 1.00 0.00 C ATOM 247 CD GLU A 19 -16.616 -3.384 4.542 1.00 0.00 C ATOM 248 OE1 GLU A 19 -17.851 -3.215 4.461 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.042 -3.741 5.593 1.00 0.00 O ATOM 0 HA GLU A 19 -15.251 -0.954 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.078 -1.620 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.568 -1.756 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.996 -3.913 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.719 -3.248 3.565 1.00 0.00 H new ATOM 256 N GLN A 20 -13.880 1.118 2.808 1.00 0.00 N ATOM 257 CA GLN A 20 -12.648 1.656 2.229 1.00 0.00 C ATOM 258 C GLN A 20 -11.411 1.102 2.932 1.00 0.00 C ATOM 259 O GLN A 20 -10.544 0.501 2.298 1.00 0.00 O ATOM 260 CB GLN A 20 -12.624 3.193 2.284 1.00 0.00 C ATOM 261 CG GLN A 20 -13.635 3.816 3.238 1.00 0.00 C ATOM 262 CD GLN A 20 -13.384 3.448 4.687 1.00 0.00 C ATOM 263 OE1 GLN A 20 -14.138 2.680 5.283 1.00 0.00 O ATOM 264 NE2 GLN A 20 -12.318 3.995 5.260 1.00 0.00 N ATOM 0 H GLN A 20 -14.547 1.827 3.113 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.629 1.341 1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.625 3.516 2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.805 3.581 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.605 4.901 3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.638 3.496 2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.720 4.627 4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.097 3.783 6.233 1.00 0.00 H new ATOM 273 N LYS A 21 -11.341 1.298 4.243 1.00 0.00 N ATOM 274 CA LYS A 21 -10.190 0.856 5.023 1.00 0.00 C ATOM 275 C LYS A 21 -9.931 -0.636 4.847 1.00 0.00 C ATOM 276 O LYS A 21 -8.832 -1.117 5.118 1.00 0.00 O ATOM 277 CB LYS A 21 -10.396 1.174 6.507 1.00 0.00 C ATOM 278 CG LYS A 21 -11.854 1.167 6.941 1.00 0.00 C ATOM 279 CD LYS A 21 -12.183 -0.066 7.764 1.00 0.00 C ATOM 280 CE LYS A 21 -13.416 -0.780 7.234 1.00 0.00 C ATOM 281 NZ LYS A 21 -14.119 -1.541 8.303 1.00 0.00 N ATOM 0 H LYS A 21 -12.068 1.760 4.789 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.319 1.397 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.846 0.447 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.968 2.153 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.065 2.063 7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.497 1.201 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.334 -0.749 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.347 0.222 8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.099 -0.050 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.125 -1.461 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.954 -2.013 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.476 -2.255 8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.419 -0.887 9.054 1.00 0.00 H new ATOM 295 N GLN A 22 -10.947 -1.369 4.408 1.00 0.00 N ATOM 296 CA GLN A 22 -10.808 -2.804 4.194 1.00 0.00 C ATOM 297 C GLN A 22 -9.970 -3.105 2.954 1.00 0.00 C ATOM 298 O GLN A 22 -8.804 -3.485 3.055 1.00 0.00 O ATOM 299 CB GLN A 22 -12.181 -3.466 4.062 1.00 0.00 C ATOM 300 CG GLN A 22 -12.106 -4.950 3.742 1.00 0.00 C ATOM 301 CD GLN A 22 -13.301 -5.438 2.947 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.235 -5.291 1.629 1.00 0.00 O flip ATOM 303 NE2 GLN A 22 -14.271 -5.942 3.511 1.00 0.00 N flip ATOM 0 H GLN A 22 -11.872 -0.996 4.194 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.295 -3.214 5.064 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.733 -3.330 4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.746 -2.961 3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.194 -5.151 3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.038 -5.515 4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.279 -6.035 4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.068 -6.267 2.963 1.00 0.00 H new ATOM 312 N MET A 23 -10.600 -2.992 1.789 1.00 0.00 N ATOM 313 CA MET A 23 -9.945 -3.318 0.523 1.00 0.00 C ATOM 314 C MET A 23 -8.855 -2.318 0.138 1.00 0.00 C ATOM 315 O MET A 23 -7.692 -2.472 0.513 1.00 0.00 O ATOM 316 CB MET A 23 -10.975 -3.422 -0.612 1.00 0.00 C ATOM 317 CG MET A 23 -12.345 -2.858 -0.270 1.00 0.00 C ATOM 318 SD MET A 23 -12.354 -1.058 -0.170 1.00 0.00 S ATOM 319 CE MET A 23 -13.634 -0.655 -1.357 1.00 0.00 C ATOM 0 H MET A 23 -11.565 -2.677 1.693 1.00 0.00 H new ATOM 0 HA MET A 23 -9.462 -4.284 0.672 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.588 -2.899 -1.487 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.086 -4.470 -0.891 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.064 -3.179 -1.024 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.676 -3.272 0.682 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.312 0.189 -1.967 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.820 -1.517 -1.998 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.550 -0.392 -0.829 1.00 0.00 H new ATOM 329 N LEU A 24 -9.234 -1.331 -0.670 1.00 0.00 N ATOM 330 CA LEU A 24 -8.293 -0.359 -1.222 1.00 0.00 C ATOM 331 C LEU A 24 -7.577 0.472 -0.168 1.00 0.00 C ATOM 332 O LEU A 24 -6.837 1.394 -0.516 1.00 0.00 O ATOM 333 CB LEU A 24 -9.024 0.590 -2.185 1.00 0.00 C ATOM 334 CG LEU A 24 -10.402 1.104 -1.740 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.337 1.754 -0.368 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.946 2.090 -2.761 1.00 0.00 C ATOM 0 H LEU A 24 -10.200 -1.182 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.533 -0.943 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.382 1.452 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.145 0.078 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.073 0.248 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.329 2.106 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.988 1.025 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.647 2.598 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.923 2.448 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.262 2.934 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.044 1.596 -3.728 1.00 0.00 H new ATOM 348 N GLY A 25 -7.813 0.199 1.107 1.00 0.00 N ATOM 349 CA GLY A 25 -7.238 1.053 2.120 1.00 0.00 C ATOM 350 C GLY A 25 -7.846 2.423 1.981 1.00 0.00 C ATOM 351 O GLY A 25 -9.063 2.579 2.066 1.00 0.00 O ATOM 0 H GLY A 25 -8.377 -0.578 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.434 0.649 3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.155 1.104 2.004 1.00 0.00 H new ATOM 355 N GLU A 26 -7.022 3.409 1.689 1.00 0.00 N ATOM 356 CA GLU A 26 -7.540 4.705 1.304 1.00 0.00 C ATOM 357 C GLU A 26 -8.033 4.601 -0.138 1.00 0.00 C ATOM 358 O GLU A 26 -9.230 4.660 -0.419 1.00 0.00 O ATOM 359 CB GLU A 26 -6.465 5.785 1.433 1.00 0.00 C ATOM 360 CG GLU A 26 -6.584 6.608 2.705 1.00 0.00 C ATOM 361 CD GLU A 26 -6.364 5.784 3.957 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.213 5.358 4.193 1.00 0.00 O ATOM 363 OE2 GLU A 26 -7.340 5.565 4.704 1.00 0.00 O ATOM 0 H GLU A 26 -6.005 3.340 1.710 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.360 4.990 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.482 5.314 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.524 6.451 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.857 7.420 2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.572 7.066 2.745 1.00 0.00 H new ATOM 370 N ARG A 27 -7.068 4.415 -1.033 1.00 0.00 N ATOM 371 CA ARG A 27 -7.306 4.214 -2.452 1.00 0.00 C ATOM 372 C ARG A 27 -6.062 3.567 -3.054 1.00 0.00 C ATOM 373 O ARG A 27 -5.915 3.439 -4.270 1.00 0.00 O ATOM 374 CB ARG A 27 -7.609 5.544 -3.131 1.00 0.00 C ATOM 375 CG ARG A 27 -8.745 5.436 -4.121 1.00 0.00 C ATOM 376 CD ARG A 27 -8.429 4.364 -5.130 1.00 0.00 C ATOM 377 NE ARG A 27 -9.497 4.166 -6.105 1.00 0.00 N ATOM 378 CZ ARG A 27 -9.291 3.752 -7.353 1.00 0.00 C ATOM 379 NH1 ARG A 27 -8.060 3.512 -7.782 1.00 0.00 N ATOM 380 NH2 ARG A 27 -10.318 3.591 -8.177 1.00 0.00 N ATOM 0 H ARG A 27 -6.079 4.400 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.168 3.565 -2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.859 6.287 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.715 5.900 -3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.674 5.199 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.896 6.391 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.510 4.626 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.242 3.425 -4.608 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.456 4.356 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.266 3.644 -7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.906 3.195 -8.739 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.266 3.785 -7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.160 3.274 -9.133 1.00 0.00 H new ATOM 394 N LEU A 28 -5.166 3.174 -2.162 1.00 0.00 N ATOM 395 CA LEU A 28 -3.864 2.656 -2.535 1.00 0.00 C ATOM 396 C LEU A 28 -3.919 1.406 -3.411 1.00 0.00 C ATOM 397 O LEU A 28 -3.582 1.462 -4.594 1.00 0.00 O ATOM 398 CB LEU A 28 -3.058 2.372 -1.278 1.00 0.00 C ATOM 399 CG LEU A 28 -2.294 3.575 -0.722 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.786 3.926 0.674 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.800 3.297 -0.709 1.00 0.00 C ATOM 0 H LEU A 28 -5.325 3.207 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.385 3.425 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.732 1.999 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.347 1.574 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.479 4.429 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.230 4.784 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.847 4.171 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.634 3.075 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.272 4.163 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.597 2.429 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.458 3.099 -1.725 1.00 0.00 H new ATOM 413 N PHE A 29 -4.264 0.274 -2.806 1.00 0.00 N ATOM 414 CA PHE A 29 -4.264 -1.018 -3.495 1.00 0.00 C ATOM 415 C PHE A 29 -4.685 -0.926 -4.974 1.00 0.00 C ATOM 416 O PHE A 29 -4.001 -1.475 -5.832 1.00 0.00 O ATOM 417 CB PHE A 29 -5.147 -2.023 -2.749 1.00 0.00 C ATOM 418 CG PHE A 29 -4.491 -3.362 -2.542 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.968 -4.071 -3.616 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.396 -3.912 -1.274 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.364 -5.300 -3.424 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.791 -5.139 -1.078 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.282 -5.836 -2.155 1.00 0.00 C ATOM 0 H PHE A 29 -4.551 0.223 -1.828 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.231 -1.366 -3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.418 -1.606 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.074 -2.164 -3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.034 -3.658 -4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.800 -3.375 -0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.957 -5.840 -4.266 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.717 -5.552 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.820 -6.800 -2.005 1.00 0.00 H new ATOM 433 N PRO A 30 -5.801 -0.238 -5.308 1.00 0.00 N ATOM 434 CA PRO A 30 -6.278 -0.135 -6.699 1.00 0.00 C ATOM 435 C PRO A 30 -5.266 0.512 -7.640 1.00 0.00 C ATOM 436 O PRO A 30 -5.063 0.044 -8.764 1.00 0.00 O ATOM 437 CB PRO A 30 -7.525 0.745 -6.593 1.00 0.00 C ATOM 438 CG PRO A 30 -7.967 0.605 -5.183 1.00 0.00 C ATOM 439 CD PRO A 30 -6.713 0.439 -4.374 1.00 0.00 C ATOM 0 HA PRO A 30 -6.461 -1.124 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.299 1.783 -6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.301 0.418 -7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.527 1.483 -4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.626 -0.255 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.315 1.399 -4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.887 -0.156 -3.478 1.00 0.00 H new ATOM 447 N LEU A 31 -4.612 1.575 -7.180 1.00 0.00 N ATOM 448 CA LEU A 31 -3.640 2.271 -8.024 1.00 0.00 C ATOM 449 C LEU A 31 -2.410 1.406 -8.214 1.00 0.00 C ATOM 450 O LEU A 31 -1.936 1.211 -9.336 1.00 0.00 O ATOM 451 CB LEU A 31 -3.222 3.617 -7.422 1.00 0.00 C ATOM 452 CG LEU A 31 -3.994 4.054 -6.182 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.053 4.489 -5.087 1.00 0.00 C ATOM 454 CD2 LEU A 31 -4.938 5.182 -6.508 1.00 0.00 C ATOM 0 H LEU A 31 -4.732 1.969 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.118 2.462 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.163 3.568 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.333 4.386 -8.186 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.570 3.196 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.628 4.796 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.400 3.659 -4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.450 5.327 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.478 5.477 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.371 6.033 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.649 4.854 -7.266 1.00 0.00 H new ATOM 466 N ILE A 32 -1.911 0.858 -7.117 1.00 0.00 N ATOM 467 CA ILE A 32 -0.758 -0.012 -7.184 1.00 0.00 C ATOM 468 C ILE A 32 -1.151 -1.356 -7.780 1.00 0.00 C ATOM 469 O ILE A 32 -0.295 -2.154 -8.149 1.00 0.00 O ATOM 470 CB ILE A 32 -0.112 -0.241 -5.807 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.545 0.848 -4.818 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.401 -0.274 -5.949 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.160 0.779 -3.480 1.00 0.00 C ATOM 0 H ILE A 32 -2.286 1.001 -6.179 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.024 0.485 -7.819 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.448 -1.200 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.360 1.825 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.620 0.770 -4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.855 -0.436 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.686 -1.084 -6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.749 0.675 -6.357 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.201 1.582 -2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.045 -0.183 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.234 0.888 -3.629 1.00 0.00 H new ATOM 485 N GLN A 33 -2.456 -1.610 -7.863 1.00 0.00 N ATOM 486 CA GLN A 33 -2.950 -2.842 -8.465 1.00 0.00 C ATOM 487 C GLN A 33 -2.505 -2.888 -9.916 1.00 0.00 C ATOM 488 O GLN A 33 -2.035 -3.912 -10.407 1.00 0.00 O ATOM 489 CB GLN A 33 -4.474 -2.928 -8.363 1.00 0.00 C ATOM 490 CG GLN A 33 -5.100 -3.952 -9.298 1.00 0.00 C ATOM 491 CD GLN A 33 -5.173 -5.338 -8.686 1.00 0.00 C ATOM 492 OE1 GLN A 33 -4.271 -5.756 -7.959 1.00 0.00 O ATOM 493 NE2 GLN A 33 -6.249 -6.057 -8.980 1.00 0.00 N ATOM 0 H GLN A 33 -3.184 -0.982 -7.523 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.539 -3.697 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.746 -3.174 -7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.898 -1.947 -8.578 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.104 -3.625 -9.568 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.521 -3.997 -10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.971 -5.669 -9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.354 -6.997 -8.599 1.00 0.00 H new ATOM 502 N ALA A 34 -2.599 -1.741 -10.575 1.00 0.00 N ATOM 503 CA ALA A 34 -2.111 -1.612 -11.939 1.00 0.00 C ATOM 504 C ALA A 34 -0.589 -1.714 -11.937 1.00 0.00 C ATOM 505 O ALA A 34 0.022 -2.190 -12.895 1.00 0.00 O ATOM 506 CB ALA A 34 -2.563 -0.293 -12.548 1.00 0.00 C ATOM 0 H ALA A 34 -3.007 -0.890 -10.188 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.524 -2.416 -12.548 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.188 -0.216 -13.568 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.652 -0.251 -12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.173 0.534 -11.955 1.00 0.00 H new ATOM 512 N MET A 35 0.004 -1.300 -10.819 1.00 0.00 N ATOM 513 CA MET A 35 1.452 -1.358 -10.629 1.00 0.00 C ATOM 514 C MET A 35 1.824 -2.546 -9.748 1.00 0.00 C ATOM 515 O MET A 35 2.833 -2.524 -9.043 1.00 0.00 O ATOM 516 CB MET A 35 1.938 -0.064 -9.980 1.00 0.00 C ATOM 517 CG MET A 35 1.273 1.171 -10.555 1.00 0.00 C ATOM 518 SD MET A 35 1.776 2.692 -9.736 1.00 0.00 S ATOM 519 CE MET A 35 0.179 3.450 -9.454 1.00 0.00 C ATOM 0 H MET A 35 -0.504 -0.916 -10.022 1.00 0.00 H new ATOM 0 HA MET A 35 1.930 -1.478 -11.601 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.747 -0.107 -8.908 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.017 0.018 -10.108 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.509 1.242 -11.617 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.191 1.064 -10.476 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.302 4.527 -9.343 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.476 3.245 -10.301 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.263 3.040 -8.546 1.00 0.00 H new ATOM 529 N HIS A 36 0.982 -3.577 -9.783 1.00 0.00 N ATOM 530 CA HIS A 36 1.169 -4.759 -8.949 1.00 0.00 C ATOM 531 C HIS A 36 2.456 -5.535 -9.272 1.00 0.00 C ATOM 532 O HIS A 36 3.027 -6.145 -8.367 1.00 0.00 O ATOM 533 CB HIS A 36 -0.056 -5.676 -9.041 1.00 0.00 C ATOM 534 CG HIS A 36 0.089 -6.812 -10.009 1.00 0.00 C ATOM 535 ND1 HIS A 36 0.783 -7.952 -9.678 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.397 -6.940 -11.268 1.00 0.00 C ATOM 537 CE1 HIS A 36 0.713 -8.740 -10.737 1.00 0.00 C ATOM 538 NE2 HIS A 36 0.008 -8.167 -11.724 1.00 0.00 N ATOM 0 H HIS A 36 0.159 -3.616 -10.385 1.00 0.00 H new ATOM 0 HA HIS A 36 1.279 -4.403 -7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.265 -6.083 -8.052 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.921 -5.078 -9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.989 -6.215 -11.807 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.165 -9.719 -10.800 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.189 -8.569 -12.641 1.00 0.00 H new ATOM 546 N PRO A 37 2.937 -5.549 -10.546 1.00 0.00 N ATOM 547 CA PRO A 37 4.166 -6.259 -10.910 1.00 0.00 C ATOM 548 C PRO A 37 5.211 -6.221 -9.798 1.00 0.00 C ATOM 549 O PRO A 37 5.942 -7.188 -9.585 1.00 0.00 O ATOM 550 CB PRO A 37 4.646 -5.489 -12.133 1.00 0.00 C ATOM 551 CG PRO A 37 3.391 -5.045 -12.807 1.00 0.00 C ATOM 552 CD PRO A 37 2.348 -4.877 -11.726 1.00 0.00 C ATOM 0 HA PRO A 37 3.998 -7.320 -11.092 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.267 -4.639 -11.849 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.248 -6.119 -12.788 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.550 -4.107 -13.340 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.068 -5.780 -13.544 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.148 -3.824 -11.526 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.400 -5.333 -12.012 1.00 0.00 H new ATOM 560 N THR A 38 5.247 -5.109 -9.067 1.00 0.00 N ATOM 561 CA THR A 38 6.146 -4.972 -7.931 1.00 0.00 C ATOM 562 C THR A 38 5.571 -5.712 -6.724 1.00 0.00 C ATOM 563 O THR A 38 5.858 -6.891 -6.519 1.00 0.00 O ATOM 564 CB THR A 38 6.364 -3.493 -7.596 1.00 0.00 C ATOM 565 OG1 THR A 38 6.726 -2.766 -8.757 1.00 0.00 O ATOM 566 CG2 THR A 38 7.440 -3.265 -6.557 1.00 0.00 C ATOM 0 H THR A 38 4.663 -4.292 -9.244 1.00 0.00 H new ATOM 0 HA THR A 38 7.110 -5.410 -8.189 1.00 0.00 H new ATOM 0 HB THR A 38 5.414 -3.145 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.421 -2.113 -8.531 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.542 -2.196 -6.367 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.166 -3.773 -5.632 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.388 -3.661 -6.922 1.00 0.00 H new ATOM 574 N LEU A 39 4.742 -5.021 -5.941 1.00 0.00 N ATOM 575 CA LEU A 39 4.099 -5.634 -4.781 1.00 0.00 C ATOM 576 C LEU A 39 3.041 -4.710 -4.176 1.00 0.00 C ATOM 577 O LEU A 39 3.152 -4.306 -3.019 1.00 0.00 O ATOM 578 CB LEU A 39 5.139 -5.999 -3.721 1.00 0.00 C ATOM 579 CG LEU A 39 5.194 -7.483 -3.353 1.00 0.00 C ATOM 580 CD1 LEU A 39 6.625 -7.908 -3.065 1.00 0.00 C ATOM 581 CD2 LEU A 39 4.300 -7.770 -2.158 1.00 0.00 C ATOM 0 H LEU A 39 4.501 -4.041 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 39 3.603 -6.543 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.122 -5.692 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.933 -5.424 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 39 4.828 -8.062 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.645 -8.966 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.239 -7.740 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.018 -7.323 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.352 -8.830 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.635 -7.182 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.271 -7.504 -2.401 1.00 0.00 H new ATOM 593 N ALA A 40 2.007 -4.399 -4.960 1.00 0.00 N ATOM 594 CA ALA A 40 0.921 -3.532 -4.502 1.00 0.00 C ATOM 595 C ALA A 40 0.476 -3.887 -3.084 1.00 0.00 C ATOM 596 O ALA A 40 0.221 -3.004 -2.265 1.00 0.00 O ATOM 597 CB ALA A 40 -0.259 -3.624 -5.461 1.00 0.00 C ATOM 0 H ALA A 40 1.899 -4.736 -5.917 1.00 0.00 H new ATOM 0 HA ALA A 40 1.295 -2.508 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.063 -2.975 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.055 -3.309 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.615 -4.653 -5.502 1.00 0.00 H new ATOM 603 N GLY A 41 0.394 -5.185 -2.806 1.00 0.00 N ATOM 604 CA GLY A 41 -0.045 -5.653 -1.500 1.00 0.00 C ATOM 605 C GLY A 41 0.692 -5.011 -0.340 1.00 0.00 C ATOM 606 O GLY A 41 0.067 -4.503 0.591 1.00 0.00 O ATOM 0 H GLY A 41 0.625 -5.927 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.112 -5.457 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.087 -6.734 -1.449 1.00 0.00 H new ATOM 610 N LYS A 42 2.016 -5.074 -0.364 1.00 0.00 N ATOM 611 CA LYS A 42 2.819 -4.526 0.726 1.00 0.00 C ATOM 612 C LYS A 42 2.919 -3.005 0.646 1.00 0.00 C ATOM 613 O LYS A 42 2.889 -2.324 1.672 1.00 0.00 O ATOM 614 CB LYS A 42 4.222 -5.141 0.736 1.00 0.00 C ATOM 615 CG LYS A 42 5.052 -4.765 1.960 1.00 0.00 C ATOM 616 CD LYS A 42 4.208 -4.694 3.228 1.00 0.00 C ATOM 617 CE LYS A 42 4.874 -3.840 4.296 1.00 0.00 C ATOM 618 NZ LYS A 42 5.492 -4.670 5.367 1.00 0.00 N ATOM 0 H LYS A 42 2.556 -5.496 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 42 2.312 -4.784 1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.133 -6.226 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.753 -4.825 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.848 -5.497 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.531 -3.801 1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.227 -4.282 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.046 -5.700 3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.638 -3.214 3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.136 -3.170 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.325 -4.224 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.068 -5.620 5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.516 -4.747 5.200 1.00 0.00 H new ATOM 632 N ILE A 43 3.052 -2.477 -0.565 1.00 0.00 N ATOM 633 CA ILE A 43 3.174 -1.036 -0.756 1.00 0.00 C ATOM 634 C ILE A 43 2.019 -0.296 -0.085 1.00 0.00 C ATOM 635 O ILE A 43 2.239 0.560 0.770 1.00 0.00 O ATOM 636 CB ILE A 43 3.216 -0.661 -2.246 1.00 0.00 C ATOM 637 CG1 ILE A 43 4.288 -1.479 -2.967 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.482 0.826 -2.408 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.129 -1.487 -4.471 1.00 0.00 C ATOM 0 H ILE A 43 3.078 -3.022 -1.427 1.00 0.00 H new ATOM 0 HA ILE A 43 4.115 -0.736 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 43 2.248 -0.889 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.270 -1.079 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.259 -2.505 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.509 1.077 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.689 1.393 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.440 1.076 -1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.923 -2.086 -4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.161 -1.915 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.188 -0.466 -4.849 1.00 0.00 H new ATOM 651 N THR A 44 0.791 -0.642 -0.467 1.00 0.00 N ATOM 652 CA THR A 44 -0.390 -0.025 0.120 1.00 0.00 C ATOM 653 C THR A 44 -0.315 -0.074 1.640 1.00 0.00 C ATOM 654 O THR A 44 -0.612 0.908 2.317 1.00 0.00 O ATOM 655 CB THR A 44 -1.656 -0.736 -0.366 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.812 -0.129 0.179 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.698 -2.201 0.001 1.00 0.00 C ATOM 0 H THR A 44 0.591 -1.345 -1.179 1.00 0.00 H new ATOM 0 HA THR A 44 -0.428 1.018 -0.195 1.00 0.00 H new ATOM 0 HB THR A 44 -1.635 -0.648 -1.452 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.610 -0.596 -0.144 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.621 -2.644 -0.373 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.844 -2.712 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.659 -2.306 1.085 1.00 0.00 H new ATOM 665 N GLY A 45 0.122 -1.216 2.165 1.00 0.00 N ATOM 666 CA GLY A 45 0.234 -1.390 3.601 1.00 0.00 C ATOM 667 C GLY A 45 0.993 -0.265 4.276 1.00 0.00 C ATOM 668 O GLY A 45 0.411 0.514 5.026 1.00 0.00 O ATOM 0 H GLY A 45 0.402 -2.029 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.765 -1.457 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.735 -2.335 3.809 1.00 0.00 H new ATOM 672 N MET A 46 2.289 -0.173 4.008 1.00 0.00 N ATOM 673 CA MET A 46 3.125 0.857 4.625 1.00 0.00 C ATOM 674 C MET A 46 2.569 2.259 4.376 1.00 0.00 C ATOM 675 O MET A 46 2.491 3.073 5.297 1.00 0.00 O ATOM 676 CB MET A 46 4.566 0.770 4.109 1.00 0.00 C ATOM 677 CG MET A 46 4.701 0.099 2.750 1.00 0.00 C ATOM 678 SD MET A 46 6.057 -1.088 2.694 1.00 0.00 S ATOM 679 CE MET A 46 7.465 -0.004 2.912 1.00 0.00 C ATOM 0 H MET A 46 2.786 -0.795 3.370 1.00 0.00 H new ATOM 0 HA MET A 46 3.119 0.675 5.700 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.980 1.777 4.048 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.167 0.222 4.834 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.768 -0.409 2.506 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.858 0.861 1.987 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.300 -0.367 2.312 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.200 1.004 2.594 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.753 0.011 3.963 1.00 0.00 H new ATOM 689 N LEU A 47 2.193 2.542 3.133 1.00 0.00 N ATOM 690 CA LEU A 47 1.665 3.857 2.781 1.00 0.00 C ATOM 691 C LEU A 47 0.193 3.992 3.167 1.00 0.00 C ATOM 692 O LEU A 47 -0.448 4.994 2.845 1.00 0.00 O ATOM 693 CB LEU A 47 1.834 4.125 1.280 1.00 0.00 C ATOM 694 CG LEU A 47 3.276 4.338 0.800 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.994 5.358 1.671 1.00 0.00 C ATOM 696 CD2 LEU A 47 4.035 3.021 0.783 1.00 0.00 C ATOM 0 H LEU A 47 2.243 1.883 2.356 1.00 0.00 H new ATOM 0 HA LEU A 47 2.235 4.596 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.408 3.286 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.250 5.007 1.019 1.00 0.00 H new ATOM 0 HG LEU A 47 3.239 4.728 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.014 5.491 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.466 6.311 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.017 5.004 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.055 3.193 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.057 2.600 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.538 2.323 0.109 1.00 0.00 H new ATOM 708 N LEU A 48 -0.342 2.991 3.864 1.00 0.00 N ATOM 709 CA LEU A 48 -1.739 3.026 4.291 1.00 0.00 C ATOM 710 C LEU A 48 -1.957 4.146 5.302 1.00 0.00 C ATOM 711 O LEU A 48 -3.090 4.511 5.610 1.00 0.00 O ATOM 712 CB LEU A 48 -2.170 1.675 4.881 1.00 0.00 C ATOM 713 CG LEU A 48 -3.534 1.161 4.412 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.592 2.242 4.538 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.451 0.668 2.978 1.00 0.00 C ATOM 0 H LEU A 48 0.166 2.152 4.143 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.357 3.222 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.414 0.930 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.186 1.760 5.968 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.821 0.327 5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.552 1.853 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.674 2.552 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.311 3.099 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.429 0.306 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.139 1.486 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.726 -0.143 2.913 1.00 0.00 H new ATOM 727 N GLU A 49 -0.859 4.723 5.777 1.00 0.00 N ATOM 728 CA GLU A 49 -0.925 5.836 6.713 1.00 0.00 C ATOM 729 C GLU A 49 -1.226 7.137 5.973 1.00 0.00 C ATOM 730 O GLU A 49 -1.004 8.229 6.497 1.00 0.00 O ATOM 731 CB GLU A 49 0.395 5.958 7.476 1.00 0.00 C ATOM 732 CG GLU A 49 0.679 4.775 8.385 1.00 0.00 C ATOM 733 CD GLU A 49 0.681 5.160 9.852 1.00 0.00 C ATOM 734 OE1 GLU A 49 -0.346 5.688 10.329 1.00 0.00 O ATOM 735 OE2 GLU A 49 1.709 4.936 10.524 1.00 0.00 O ATOM 0 H GLU A 49 0.088 4.437 5.528 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.729 5.647 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.211 6.061 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.378 6.870 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.071 4.002 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.645 4.344 8.124 1.00 0.00 H new ATOM 742 N ILE A 50 -1.740 7.007 4.752 1.00 0.00 N ATOM 743 CA ILE A 50 -2.065 8.163 3.923 1.00 0.00 C ATOM 744 C ILE A 50 -3.441 8.727 4.277 1.00 0.00 C ATOM 745 O ILE A 50 -4.260 8.050 4.899 1.00 0.00 O ATOM 746 CB ILE A 50 -2.006 7.799 2.420 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.284 8.895 1.635 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.398 7.560 1.848 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.867 8.463 0.246 1.00 0.00 C ATOM 0 H ILE A 50 -1.941 6.108 4.314 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.319 8.932 4.123 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.445 6.869 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.936 9.765 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.400 9.208 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.318 7.307 0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.875 6.739 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.998 8.463 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.361 9.288 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.190 7.612 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.750 8.178 -0.327 1.00 0.00 H new ATOM 761 N ASP A 51 -3.679 9.978 3.891 1.00 0.00 N ATOM 762 CA ASP A 51 -4.941 10.649 4.185 1.00 0.00 C ATOM 763 C ASP A 51 -6.091 10.084 3.362 1.00 0.00 C ATOM 764 O ASP A 51 -5.881 9.486 2.308 1.00 0.00 O ATOM 765 CB ASP A 51 -4.817 12.144 3.899 1.00 0.00 C ATOM 766 CG ASP A 51 -4.105 12.892 5.007 1.00 0.00 C ATOM 767 OD1 ASP A 51 -4.604 12.872 6.152 1.00 0.00 O ATOM 768 OD2 ASP A 51 -3.047 13.496 4.732 1.00 0.00 O ATOM 0 H ASP A 51 -3.011 10.549 3.372 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.158 10.481 5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.277 12.288 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.812 12.567 3.761 1.00 0.00 H new ATOM 773 N ASN A 52 -7.311 10.328 3.832 1.00 0.00 N ATOM 774 CA ASN A 52 -8.508 9.899 3.121 1.00 0.00 C ATOM 775 C ASN A 52 -8.928 10.966 2.116 1.00 0.00 C ATOM 776 O ASN A 52 -9.507 10.665 1.073 1.00 0.00 O ATOM 777 CB ASN A 52 -9.648 9.627 4.105 1.00 0.00 C ATOM 778 CG ASN A 52 -9.624 8.209 4.643 1.00 0.00 C ATOM 779 OD1 ASN A 52 -9.049 7.944 5.698 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.251 7.291 3.917 1.00 0.00 N ATOM 0 H ASN A 52 -7.495 10.822 4.705 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.283 8.976 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.582 10.329 4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.602 9.808 3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.269 6.320 4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.714 7.557 3.048 1.00 0.00 H new ATOM 787 N SER A 53 -8.620 12.219 2.436 1.00 0.00 N ATOM 788 CA SER A 53 -8.929 13.329 1.543 1.00 0.00 C ATOM 789 C SER A 53 -7.991 13.306 0.344 1.00 0.00 C ATOM 790 O SER A 53 -8.375 13.665 -0.770 1.00 0.00 O ATOM 791 CB SER A 53 -8.803 14.664 2.282 1.00 0.00 C ATOM 792 OG SER A 53 -9.743 14.753 3.339 1.00 0.00 O ATOM 0 H SER A 53 -8.158 12.490 3.304 1.00 0.00 H new ATOM 0 HA SER A 53 -9.957 13.221 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.793 14.769 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.958 15.486 1.583 1.00 0.00 H new ATOM 0 HG SER A 53 -9.641 15.614 3.796 1.00 0.00 H new ATOM 798 N GLU A 54 -6.763 12.857 0.582 1.00 0.00 N ATOM 799 CA GLU A 54 -5.764 12.759 -0.474 1.00 0.00 C ATOM 800 C GLU A 54 -6.045 11.559 -1.368 1.00 0.00 C ATOM 801 O GLU A 54 -5.694 11.558 -2.546 1.00 0.00 O ATOM 802 CB GLU A 54 -4.365 12.642 0.131 1.00 0.00 C ATOM 803 CG GLU A 54 -3.910 13.901 0.850 1.00 0.00 C ATOM 804 CD GLU A 54 -2.419 14.146 0.720 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.783 13.504 -0.144 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.886 14.980 1.482 1.00 0.00 O ATOM 0 H GLU A 54 -6.436 12.555 1.500 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.815 13.664 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.349 11.807 0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.653 12.408 -0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.451 14.758 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.170 13.825 1.906 1.00 0.00 H new ATOM 813 N LEU A 55 -6.680 10.536 -0.799 1.00 0.00 N ATOM 814 CA LEU A 55 -7.013 9.335 -1.553 1.00 0.00 C ATOM 815 C LEU A 55 -7.914 9.683 -2.730 1.00 0.00 C ATOM 816 O LEU A 55 -7.648 9.294 -3.868 1.00 0.00 O ATOM 817 CB LEU A 55 -7.670 8.291 -0.633 1.00 0.00 C ATOM 818 CG LEU A 55 -9.206 8.296 -0.567 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.815 7.557 -1.753 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.680 7.676 0.738 1.00 0.00 C ATOM 0 H LEU A 55 -6.972 10.517 0.178 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.096 8.900 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.347 7.302 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.286 8.438 0.376 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.539 9.333 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.902 7.579 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.507 8.040 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.472 6.522 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.769 7.686 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.325 6.648 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.286 8.249 1.577 1.00 0.00 H new ATOM 832 N LEU A 56 -8.961 10.449 -2.450 1.00 0.00 N ATOM 833 CA LEU A 56 -9.898 10.871 -3.482 1.00 0.00 C ATOM 834 C LEU A 56 -9.185 11.708 -4.537 1.00 0.00 C ATOM 835 O LEU A 56 -9.471 11.599 -5.729 1.00 0.00 O ATOM 836 CB LEU A 56 -11.050 11.665 -2.857 1.00 0.00 C ATOM 837 CG LEU A 56 -12.369 11.645 -3.639 1.00 0.00 C ATOM 838 CD1 LEU A 56 -12.307 12.599 -4.821 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.698 10.235 -4.105 1.00 0.00 C ATOM 0 H LEU A 56 -9.182 10.791 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.308 9.984 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.236 11.275 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.733 12.701 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.164 11.978 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.253 12.570 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.126 13.612 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.498 12.300 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.638 10.244 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.900 9.870 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.792 9.579 -3.240 1.00 0.00 H new ATOM 851 N HIS A 57 -8.236 12.524 -4.089 1.00 0.00 N ATOM 852 CA HIS A 57 -7.454 13.355 -4.998 1.00 0.00 C ATOM 853 C HIS A 57 -6.614 12.480 -5.923 1.00 0.00 C ATOM 854 O HIS A 57 -6.426 12.798 -7.096 1.00 0.00 O ATOM 855 CB HIS A 57 -6.550 14.304 -4.208 1.00 0.00 C ATOM 856 CG HIS A 57 -7.217 15.589 -3.827 1.00 0.00 C ATOM 857 ND1 HIS A 57 -6.641 16.805 -4.103 1.00 0.00 N ATOM 858 CD2 HIS A 57 -8.402 15.792 -3.199 1.00 0.00 C ATOM 859 CE1 HIS A 57 -7.478 17.716 -3.643 1.00 0.00 C ATOM 860 NE2 HIS A 57 -8.559 17.148 -3.087 1.00 0.00 N ATOM 0 H HIS A 57 -7.990 12.628 -3.104 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.140 13.948 -5.602 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.209 13.799 -3.304 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.664 14.527 -4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.088 15.032 -2.854 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.314 18.782 -3.706 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.348 17.634 -2.661 1.00 0.00 H new ATOM 868 N MET A 58 -6.124 11.368 -5.384 1.00 0.00 N ATOM 869 CA MET A 58 -5.327 10.423 -6.157 1.00 0.00 C ATOM 870 C MET A 58 -6.177 9.775 -7.244 1.00 0.00 C ATOM 871 O MET A 58 -5.740 9.623 -8.384 1.00 0.00 O ATOM 872 CB MET A 58 -4.751 9.344 -5.232 1.00 0.00 C ATOM 873 CG MET A 58 -3.640 9.834 -4.310 1.00 0.00 C ATOM 874 SD MET A 58 -3.367 11.618 -4.395 1.00 0.00 S ATOM 875 CE MET A 58 -1.849 11.689 -5.342 1.00 0.00 C ATOM 0 H MET A 58 -6.266 11.099 -4.410 1.00 0.00 H new ATOM 0 HA MET A 58 -4.507 10.964 -6.630 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.558 8.935 -4.624 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.366 8.527 -5.842 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.884 9.560 -3.283 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.713 9.320 -4.566 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.254 12.541 -5.013 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.282 10.770 -5.190 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.085 11.799 -6.400 1.00 0.00 H new ATOM 885 N LEU A 59 -7.405 9.418 -6.886 1.00 0.00 N ATOM 886 CA LEU A 59 -8.326 8.799 -7.829 1.00 0.00 C ATOM 887 C LEU A 59 -8.778 9.801 -8.884 1.00 0.00 C ATOM 888 O LEU A 59 -9.327 9.423 -9.919 1.00 0.00 O ATOM 889 CB LEU A 59 -9.539 8.233 -7.081 1.00 0.00 C ATOM 890 CG LEU A 59 -10.493 7.362 -7.908 1.00 0.00 C ATOM 891 CD1 LEU A 59 -9.735 6.551 -8.952 1.00 0.00 C ATOM 892 CD2 LEU A 59 -11.285 6.439 -6.994 1.00 0.00 C ATOM 0 H LEU A 59 -7.785 9.547 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.807 7.985 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.178 7.643 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.107 9.066 -6.667 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.184 8.021 -8.433 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.438 5.944 -9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.209 7.227 -9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.014 5.901 -8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.959 5.825 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.599 5.795 -6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.866 7.035 -6.290 1.00 0.00 H new ATOM 904 N GLU A 60 -8.534 11.080 -8.619 1.00 0.00 N ATOM 905 CA GLU A 60 -8.904 12.133 -9.556 1.00 0.00 C ATOM 906 C GLU A 60 -7.668 12.700 -10.251 1.00 0.00 C ATOM 907 O GLU A 60 -7.773 13.564 -11.122 1.00 0.00 O ATOM 908 CB GLU A 60 -9.665 13.248 -8.826 1.00 0.00 C ATOM 909 CG GLU A 60 -8.780 14.385 -8.335 1.00 0.00 C ATOM 910 CD GLU A 60 -9.534 15.384 -7.479 1.00 0.00 C ATOM 911 OE1 GLU A 60 -10.686 15.715 -7.828 1.00 0.00 O ATOM 912 OE2 GLU A 60 -8.972 15.834 -6.458 1.00 0.00 O ATOM 0 H GLU A 60 -8.083 11.411 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.555 11.703 -10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.423 13.655 -9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.191 12.817 -7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.951 13.973 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.348 14.900 -9.193 1.00 0.00 H new ATOM 919 N SER A 61 -6.498 12.209 -9.853 1.00 0.00 N ATOM 920 CA SER A 61 -5.240 12.667 -10.424 1.00 0.00 C ATOM 921 C SER A 61 -4.437 11.498 -10.983 1.00 0.00 C ATOM 922 O SER A 61 -3.567 10.959 -10.308 1.00 0.00 O ATOM 923 CB SER A 61 -4.414 13.398 -9.364 1.00 0.00 C ATOM 924 OG SER A 61 -4.848 14.739 -9.212 1.00 0.00 O ATOM 0 H SER A 61 -6.397 11.492 -9.135 1.00 0.00 H new ATOM 0 HA SER A 61 -5.470 13.352 -11.240 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.497 12.876 -8.411 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.361 13.383 -9.645 1.00 0.00 H new ATOM 0 HG SER A 61 -4.305 15.183 -8.528 1.00 0.00 H new ATOM 930 N PRO A 62 -4.711 11.087 -12.231 1.00 0.00 N ATOM 931 CA PRO A 62 -3.991 9.981 -12.864 1.00 0.00 C ATOM 932 C PRO A 62 -2.495 10.260 -12.977 1.00 0.00 C ATOM 933 O PRO A 62 -1.674 9.349 -12.880 1.00 0.00 O ATOM 934 CB PRO A 62 -4.624 9.880 -14.258 1.00 0.00 C ATOM 935 CG PRO A 62 -5.286 11.197 -14.480 1.00 0.00 C ATOM 936 CD PRO A 62 -5.726 11.669 -13.124 1.00 0.00 C ATOM 0 HA PRO A 62 -4.071 9.061 -12.284 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.870 9.684 -15.020 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.345 9.064 -14.306 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.598 11.908 -14.937 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.137 11.098 -15.154 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.744 12.757 -13.061 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.729 11.319 -12.879 1.00 0.00 H new ATOM 944 N GLU A 63 -2.153 11.525 -13.208 1.00 0.00 N ATOM 945 CA GLU A 63 -0.759 11.931 -13.351 1.00 0.00 C ATOM 946 C GLU A 63 -0.062 12.059 -11.992 1.00 0.00 C ATOM 947 O GLU A 63 1.071 11.611 -11.826 1.00 0.00 O ATOM 948 CB GLU A 63 -0.670 13.249 -14.138 1.00 0.00 C ATOM 949 CG GLU A 63 -0.132 14.429 -13.340 1.00 0.00 C ATOM 950 CD GLU A 63 -0.096 15.712 -14.146 1.00 0.00 C ATOM 951 OE1 GLU A 63 0.590 15.739 -15.190 1.00 0.00 O ATOM 952 OE2 GLU A 63 -0.755 16.690 -13.734 1.00 0.00 O ATOM 0 H GLU A 63 -2.824 12.287 -13.300 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.238 11.152 -13.907 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.032 13.095 -15.008 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.662 13.502 -14.511 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.752 14.577 -12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.873 14.197 -12.989 1.00 0.00 H new ATOM 959 N SER A 64 -0.736 12.691 -11.033 1.00 0.00 N ATOM 960 CA SER A 64 -0.157 12.912 -9.710 1.00 0.00 C ATOM 961 C SER A 64 -0.126 11.627 -8.891 1.00 0.00 C ATOM 962 O SER A 64 0.905 11.265 -8.324 1.00 0.00 O ATOM 963 CB SER A 64 -0.951 13.984 -8.959 1.00 0.00 C ATOM 964 OG SER A 64 -1.142 15.134 -9.763 1.00 0.00 O ATOM 0 H SER A 64 -1.681 13.058 -11.147 1.00 0.00 H new ATOM 0 HA SER A 64 0.870 13.250 -9.850 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.919 13.581 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.423 14.259 -8.046 1.00 0.00 H new ATOM 0 HG SER A 64 -1.653 15.803 -9.261 1.00 0.00 H new ATOM 970 N LEU A 65 -1.266 10.954 -8.824 1.00 0.00 N ATOM 971 CA LEU A 65 -1.392 9.719 -8.060 1.00 0.00 C ATOM 972 C LEU A 65 -0.400 8.668 -8.547 1.00 0.00 C ATOM 973 O LEU A 65 0.487 8.262 -7.799 1.00 0.00 O ATOM 974 CB LEU A 65 -2.838 9.209 -8.150 1.00 0.00 C ATOM 975 CG LEU A 65 -3.112 7.738 -7.786 1.00 0.00 C ATOM 976 CD1 LEU A 65 -3.101 6.876 -9.035 1.00 0.00 C ATOM 977 CD2 LEU A 65 -2.143 7.198 -6.740 1.00 0.00 C ATOM 0 H LEU A 65 -2.124 11.245 -9.293 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.155 9.920 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.453 9.833 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.186 9.370 -9.170 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.104 7.698 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.296 5.839 -8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.873 7.222 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.126 6.947 -9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.384 6.157 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.124 7.262 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.227 7.788 -5.827 1.00 0.00 H new ATOM 989 N ARG A 66 -0.560 8.213 -9.784 1.00 0.00 N ATOM 990 CA ARG A 66 0.324 7.189 -10.326 1.00 0.00 C ATOM 991 C ARG A 66 1.786 7.556 -10.091 1.00 0.00 C ATOM 992 O ARG A 66 2.624 6.686 -9.856 1.00 0.00 O ATOM 993 CB ARG A 66 0.067 6.978 -11.818 1.00 0.00 C ATOM 994 CG ARG A 66 0.400 5.571 -12.290 1.00 0.00 C ATOM 995 CD ARG A 66 -0.669 5.028 -13.223 1.00 0.00 C ATOM 996 NE ARG A 66 -1.738 4.348 -12.498 1.00 0.00 N ATOM 997 CZ ARG A 66 -2.888 4.927 -12.162 1.00 0.00 C ATOM 998 NH1 ARG A 66 -3.117 6.193 -12.485 1.00 0.00 N ATOM 999 NH2 ARG A 66 -3.810 4.240 -11.502 1.00 0.00 N ATOM 0 H ARG A 66 -1.286 8.533 -10.425 1.00 0.00 H new ATOM 0 HA ARG A 66 0.111 6.256 -9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.981 7.188 -12.033 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.659 7.695 -12.387 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.362 5.576 -12.802 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.501 4.912 -11.428 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.091 5.847 -13.806 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.214 4.335 -13.931 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.595 3.373 -12.234 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.411 6.726 -12.992 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.000 6.634 -12.226 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.638 3.266 -11.251 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.691 4.685 -11.245 1.00 0.00 H new ATOM 1013 N SER A 67 2.082 8.854 -10.131 1.00 0.00 N ATOM 1014 CA SER A 67 3.436 9.338 -9.878 1.00 0.00 C ATOM 1015 C SER A 67 3.796 9.147 -8.409 1.00 0.00 C ATOM 1016 O SER A 67 4.930 8.801 -8.072 1.00 0.00 O ATOM 1017 CB SER A 67 3.552 10.815 -10.255 1.00 0.00 C ATOM 1018 OG SER A 67 4.312 10.983 -11.440 1.00 0.00 O ATOM 0 H SER A 67 1.403 9.587 -10.336 1.00 0.00 H new ATOM 0 HA SER A 67 4.130 8.763 -10.491 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.557 11.237 -10.395 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.019 11.366 -9.439 1.00 0.00 H new ATOM 0 HG SER A 67 4.369 11.936 -11.660 1.00 0.00 H new ATOM 1024 N LYS A 68 2.810 9.348 -7.543 1.00 0.00 N ATOM 1025 CA LYS A 68 2.998 9.171 -6.114 1.00 0.00 C ATOM 1026 C LYS A 68 3.275 7.709 -5.801 1.00 0.00 C ATOM 1027 O LYS A 68 4.325 7.369 -5.253 1.00 0.00 O ATOM 1028 CB LYS A 68 1.754 9.639 -5.357 1.00 0.00 C ATOM 1029 CG LYS A 68 1.976 9.786 -3.862 1.00 0.00 C ATOM 1030 CD LYS A 68 1.200 10.962 -3.296 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.066 10.506 -2.590 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.918 11.655 -2.177 1.00 0.00 N ATOM 0 H LYS A 68 1.869 9.635 -7.810 1.00 0.00 H new ATOM 0 HA LYS A 68 3.851 9.770 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.429 10.596 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.945 8.929 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.670 8.870 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.039 9.921 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.830 11.512 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.941 11.650 -4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.635 9.852 -3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.200 9.918 -1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.109 11.596 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.424 12.546 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.817 11.627 -2.700 1.00 0.00 H new ATOM 1046 N VAL A 69 2.345 6.840 -6.188 1.00 0.00 N ATOM 1047 CA VAL A 69 2.504 5.411 -5.967 1.00 0.00 C ATOM 1048 C VAL A 69 3.704 4.873 -6.743 1.00 0.00 C ATOM 1049 O VAL A 69 4.250 3.820 -6.410 1.00 0.00 O ATOM 1050 CB VAL A 69 1.225 4.645 -6.349 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.470 3.146 -6.401 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.122 4.969 -5.360 1.00 0.00 C ATOM 0 H VAL A 69 1.477 7.102 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 69 2.685 5.256 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 69 0.920 4.962 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.546 2.636 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.238 2.928 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.802 2.797 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.783 4.425 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.434 4.675 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.079 6.040 -5.378 1.00 0.00 H new ATOM 1062 N ASP A 70 4.144 5.619 -7.753 1.00 0.00 N ATOM 1063 CA ASP A 70 5.326 5.233 -8.513 1.00 0.00 C ATOM 1064 C ASP A 70 6.500 5.060 -7.560 1.00 0.00 C ATOM 1065 O ASP A 70 7.172 4.027 -7.556 1.00 0.00 O ATOM 1066 CB ASP A 70 5.655 6.286 -9.574 1.00 0.00 C ATOM 1067 CG ASP A 70 7.041 6.107 -10.160 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.263 5.101 -10.866 1.00 0.00 O ATOM 1069 OD2 ASP A 70 7.907 6.974 -9.914 1.00 0.00 O ATOM 0 H ASP A 70 3.704 6.486 -8.061 1.00 0.00 H new ATOM 0 HA ASP A 70 5.129 4.290 -9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.916 6.234 -10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.577 7.279 -9.132 1.00 0.00 H new ATOM 1074 N GLU A 71 6.705 6.059 -6.709 1.00 0.00 N ATOM 1075 CA GLU A 71 7.749 5.989 -5.699 1.00 0.00 C ATOM 1076 C GLU A 71 7.384 4.946 -4.653 1.00 0.00 C ATOM 1077 O GLU A 71 8.254 4.376 -3.994 1.00 0.00 O ATOM 1078 CB GLU A 71 7.945 7.347 -5.026 1.00 0.00 C ATOM 1079 CG GLU A 71 9.211 7.430 -4.191 1.00 0.00 C ATOM 1080 CD GLU A 71 10.178 8.482 -4.697 1.00 0.00 C ATOM 1081 OE1 GLU A 71 10.314 8.619 -5.931 1.00 0.00 O ATOM 1082 OE2 GLU A 71 10.800 9.169 -3.860 1.00 0.00 O ATOM 0 H GLU A 71 6.163 6.923 -6.700 1.00 0.00 H new ATOM 0 HA GLU A 71 8.682 5.706 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.972 8.123 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.085 7.556 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.946 7.653 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.705 6.458 -4.190 1.00 0.00 H new ATOM 1089 N ALA A 72 6.084 4.705 -4.508 1.00 0.00 N ATOM 1090 CA ALA A 72 5.588 3.729 -3.549 1.00 0.00 C ATOM 1091 C ALA A 72 6.095 2.331 -3.883 1.00 0.00 C ATOM 1092 O ALA A 72 6.541 1.602 -3.001 1.00 0.00 O ATOM 1093 CB ALA A 72 4.071 3.761 -3.496 1.00 0.00 C ATOM 0 H ALA A 72 5.355 5.175 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 72 5.969 3.993 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.717 3.025 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.738 4.754 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.667 3.526 -4.481 1.00 0.00 H new ATOM 1099 N VAL A 73 6.047 1.963 -5.163 1.00 0.00 N ATOM 1100 CA VAL A 73 6.562 0.666 -5.583 1.00 0.00 C ATOM 1101 C VAL A 73 8.048 0.581 -5.262 1.00 0.00 C ATOM 1102 O VAL A 73 8.568 -0.482 -4.927 1.00 0.00 O ATOM 1103 CB VAL A 73 6.337 0.395 -7.089 1.00 0.00 C ATOM 1104 CG1 VAL A 73 4.944 0.836 -7.518 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.407 1.073 -7.935 1.00 0.00 C ATOM 0 H VAL A 73 5.663 2.536 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 73 6.010 -0.097 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 73 6.416 -0.680 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.810 0.635 -8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.196 0.285 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.827 1.904 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.223 0.865 -8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.376 2.149 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.389 0.690 -7.655 1.00 0.00 H new ATOM 1115 N ALA A 74 8.711 1.734 -5.322 1.00 0.00 N ATOM 1116 CA ALA A 74 10.133 1.821 -5.020 1.00 0.00 C ATOM 1117 C ALA A 74 10.401 1.512 -3.548 1.00 0.00 C ATOM 1118 O ALA A 74 11.393 0.864 -3.215 1.00 0.00 O ATOM 1119 CB ALA A 74 10.668 3.200 -5.378 1.00 0.00 C ATOM 0 H ALA A 74 8.282 2.623 -5.578 1.00 0.00 H new ATOM 0 HA ALA A 74 10.653 1.076 -5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.732 3.249 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.520 3.383 -6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.136 3.957 -4.802 1.00 0.00 H new ATOM 1125 N VAL A 75 9.512 1.979 -2.670 1.00 0.00 N ATOM 1126 CA VAL A 75 9.659 1.730 -1.238 1.00 0.00 C ATOM 1127 C VAL A 75 9.685 0.228 -0.966 1.00 0.00 C ATOM 1128 O VAL A 75 10.358 -0.238 -0.048 1.00 0.00 O ATOM 1129 CB VAL A 75 8.536 2.399 -0.403 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.059 3.680 -1.071 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.371 1.448 -0.171 1.00 0.00 C ATOM 0 H VAL A 75 8.690 2.527 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 75 10.604 2.177 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 75 8.955 2.652 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.271 4.133 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.893 4.376 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.670 3.450 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.603 1.950 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.952 1.144 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.722 0.567 0.367 1.00 0.00 H new ATOM 1141 N LEU A 76 8.961 -0.522 -1.793 1.00 0.00 N ATOM 1142 CA LEU A 76 8.923 -1.971 -1.678 1.00 0.00 C ATOM 1143 C LEU A 76 10.256 -2.561 -2.112 1.00 0.00 C ATOM 1144 O LEU A 76 10.816 -3.428 -1.439 1.00 0.00 O ATOM 1145 CB LEU A 76 7.792 -2.540 -2.542 1.00 0.00 C ATOM 1146 CG LEU A 76 7.638 -4.067 -2.525 1.00 0.00 C ATOM 1147 CD1 LEU A 76 8.575 -4.714 -3.535 1.00 0.00 C ATOM 1148 CD2 LEU A 76 7.876 -4.631 -1.129 1.00 0.00 C ATOM 0 H LEU A 76 8.392 -0.145 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 76 8.738 -2.237 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.852 -2.096 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.953 -2.222 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 76 6.612 -4.302 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.450 -5.796 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.341 -4.348 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.606 -4.462 -3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.760 -5.715 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.885 -4.380 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.153 -4.202 -0.435 1.00 0.00 H new ATOM 1160 N GLN A 77 10.752 -2.088 -3.250 1.00 0.00 N ATOM 1161 CA GLN A 77 12.028 -2.547 -3.781 1.00 0.00 C ATOM 1162 C GLN A 77 13.120 -2.421 -2.724 1.00 0.00 C ATOM 1163 O GLN A 77 14.000 -3.275 -2.619 1.00 0.00 O ATOM 1164 CB GLN A 77 12.403 -1.735 -5.024 1.00 0.00 C ATOM 1165 CG GLN A 77 11.894 -2.340 -6.323 1.00 0.00 C ATOM 1166 CD GLN A 77 12.518 -3.690 -6.624 1.00 0.00 C ATOM 1167 OE1 GLN A 77 11.837 -4.714 -6.623 1.00 0.00 O ATOM 1168 NE2 GLN A 77 13.820 -3.694 -6.887 1.00 0.00 N ATOM 0 H GLN A 77 10.287 -1.384 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 77 11.932 -3.597 -4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.004 -0.726 -4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.488 -1.645 -5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.811 -2.449 -6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.104 -1.656 -7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.345 -2.820 -6.877 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.295 -4.571 -7.099 1.00 0.00 H new ATOM 1177 N ALA A 78 13.043 -1.354 -1.932 1.00 0.00 N ATOM 1178 CA ALA A 78 14.006 -1.121 -0.862 1.00 0.00 C ATOM 1179 C ALA A 78 13.651 -1.940 0.376 1.00 0.00 C ATOM 1180 O ALA A 78 14.507 -2.217 1.216 1.00 0.00 O ATOM 1181 CB ALA A 78 14.067 0.361 -0.520 1.00 0.00 C ATOM 0 H ALA A 78 12.322 -0.637 -2.012 1.00 0.00 H new ATOM 0 HA ALA A 78 14.988 -1.440 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.790 0.520 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.371 0.926 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.084 0.700 -0.194 1.00 0.00 H new ATOM 1187 N HIS A 79 12.381 -2.321 0.482 1.00 0.00 N ATOM 1188 CA HIS A 79 11.909 -3.116 1.612 1.00 0.00 C ATOM 1189 C HIS A 79 12.555 -4.497 1.607 1.00 0.00 C ATOM 1190 O HIS A 79 12.875 -5.047 2.660 1.00 0.00 O ATOM 1191 CB HIS A 79 10.382 -3.249 1.566 1.00 0.00 C ATOM 1192 CG HIS A 79 9.834 -4.258 2.530 1.00 0.00 C ATOM 1193 ND1 HIS A 79 9.229 -5.413 2.091 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.827 -4.240 3.884 1.00 0.00 C ATOM 1195 CE1 HIS A 79 8.868 -6.067 3.181 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.208 -5.394 4.290 1.00 0.00 N ATOM 0 H HIS A 79 11.660 -2.092 -0.202 1.00 0.00 H new ATOM 0 HA HIS A 79 12.193 -2.605 2.532 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.935 -2.278 1.778 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.081 -3.525 0.555 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.231 -3.467 4.521 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.363 -7.022 3.179 1.00 0.00 H new ATOM 0 HE2 HIS A 79 9.038 -5.685 5.253 1.00 0.00 H new ATOM 1538 N ASN B 5 9.935 6.856 1.664 1.00 0.00 N ATOM 1539 CA ASN B 5 10.191 8.214 1.197 1.00 0.00 C ATOM 1540 C ASN B 5 8.941 9.078 1.326 1.00 0.00 C ATOM 1541 O ASN B 5 9.002 10.204 1.822 1.00 0.00 O ATOM 1542 CB ASN B 5 10.663 8.193 -0.258 1.00 0.00 C ATOM 1543 CG ASN B 5 12.043 8.798 -0.426 1.00 0.00 C ATOM 1544 OD1 ASN B 5 13.057 8.124 -0.235 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.091 10.076 -0.787 1.00 0.00 N ATOM 0 HA ASN B 5 10.974 8.645 1.820 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.674 7.165 -0.619 1.00 0.00 H new ATOM 0 HB3 ASN B 5 9.951 8.740 -0.876 1.00 0.00 H new ATOM 0 HD21 ASN B 5 12.992 10.536 -0.916 1.00 0.00 H new ATOM 0 HD22 ASN B 5 11.227 10.597 -0.935 1.00 0.00 H new ATOM 1552 N LEU B 6 7.808 8.543 0.881 1.00 0.00 N ATOM 1553 CA LEU B 6 6.542 9.264 0.953 1.00 0.00 C ATOM 1554 C LEU B 6 6.077 9.393 2.400 1.00 0.00 C ATOM 1555 O LEU B 6 6.242 10.442 3.023 1.00 0.00 O ATOM 1556 CB LEU B 6 5.477 8.551 0.116 1.00 0.00 C ATOM 1557 CG LEU B 6 5.398 8.999 -1.345 1.00 0.00 C ATOM 1558 CD1 LEU B 6 4.813 7.894 -2.212 1.00 0.00 C ATOM 1559 CD2 LEU B 6 4.572 10.269 -1.469 1.00 0.00 C ATOM 0 H LEU B 6 7.741 7.613 0.467 1.00 0.00 H new ATOM 0 HA LEU B 6 6.694 10.265 0.550 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.673 7.479 0.142 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.504 8.708 0.582 1.00 0.00 H new ATOM 0 HG LEU B 6 6.408 9.211 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.765 8.231 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.445 7.008 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.810 7.650 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.527 10.573 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.563 10.084 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.033 11.062 -0.880 1.00 0.00 H new ATOM 1571 N ASN B 7 5.508 8.316 2.936 1.00 0.00 N ATOM 1572 CA ASN B 7 5.032 8.311 4.315 1.00 0.00 C ATOM 1573 C ASN B 7 6.178 8.043 5.287 1.00 0.00 C ATOM 1574 O ASN B 7 6.894 7.052 5.149 1.00 0.00 O ATOM 1575 CB ASN B 7 3.957 7.245 4.506 1.00 0.00 C ATOM 1576 CG ASN B 7 2.835 7.710 5.411 1.00 0.00 C ATOM 1577 OD1 ASN B 7 3.032 7.565 6.716 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 1.804 8.193 4.944 1.00 0.00 N flip ATOM 0 H ASN B 7 5.366 7.438 2.437 1.00 0.00 H new ATOM 0 HA ASN B 7 4.611 9.295 4.522 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.546 6.970 3.535 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.410 6.347 4.926 1.00 0.00 H new ATOM 0 HD21 ASN B 7 1.696 8.285 3.934 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.057 8.501 5.567 1.00 0.00 H new ATOM 1585 N PRO B 8 6.346 8.901 6.307 1.00 0.00 N ATOM 1586 CA PRO B 8 7.398 8.736 7.307 1.00 0.00 C ATOM 1587 C PRO B 8 7.053 7.653 8.324 1.00 0.00 C ATOM 1588 O PRO B 8 7.868 7.306 9.179 1.00 0.00 O ATOM 1589 CB PRO B 8 7.477 10.110 7.995 1.00 0.00 C ATOM 1590 CG PRO B 8 6.544 11.003 7.238 1.00 0.00 C ATOM 1591 CD PRO B 8 5.551 10.104 6.565 1.00 0.00 C ATOM 0 HA PRO B 8 8.340 8.425 6.855 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.186 10.039 9.043 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.495 10.500 7.973 1.00 0.00 H new ATOM 0 HG2 PRO B 8 6.044 11.701 7.910 1.00 0.00 H new ATOM 0 HG3 PRO B 8 7.087 11.600 6.505 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.693 9.895 7.204 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.164 10.541 5.645 1.00 0.00 H new ATOM 1599 N ASN B 9 5.834 7.129 8.229 1.00 0.00 N ATOM 1600 CA ASN B 9 5.374 6.085 9.137 1.00 0.00 C ATOM 1601 C ASN B 9 4.931 4.846 8.364 1.00 0.00 C ATOM 1602 O ASN B 9 3.787 4.408 8.476 1.00 0.00 O ATOM 1603 CB ASN B 9 4.222 6.603 10.002 1.00 0.00 C ATOM 1604 CG ASN B 9 4.541 7.933 10.658 1.00 0.00 C ATOM 1605 OD1 ASN B 9 4.128 8.989 10.180 1.00 0.00 O ATOM 1606 ND2 ASN B 9 5.280 7.887 11.760 1.00 0.00 N ATOM 0 H ASN B 9 5.146 7.412 7.531 1.00 0.00 H new ATOM 0 HA ASN B 9 6.207 5.807 9.783 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.329 6.710 9.386 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.991 5.867 10.773 1.00 0.00 H new ATOM 0 HD21 ASN B 9 5.527 8.750 12.245 1.00 0.00 H new ATOM 0 HD22 ASN B 9 5.601 6.989 12.122 1.00 0.00 H new ATOM 1613 N ALA B 10 5.838 4.308 7.555 1.00 0.00 N ATOM 1614 CA ALA B 10 5.550 3.121 6.757 1.00 0.00 C ATOM 1615 C ALA B 10 5.184 1.927 7.638 1.00 0.00 C ATOM 1616 O ALA B 10 6.060 1.219 8.136 1.00 0.00 O ATOM 1617 CB ALA B 10 6.741 2.782 5.873 1.00 0.00 C ATOM 0 H ALA B 10 6.781 4.676 7.434 1.00 0.00 H new ATOM 0 HA ALA B 10 4.689 3.342 6.126 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.515 1.894 5.282 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.949 3.619 5.206 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.614 2.590 6.497 1.00 0.00 H new ATOM 1623 N LYS B 11 3.884 1.699 7.812 1.00 0.00 N ATOM 1624 CA LYS B 11 3.401 0.574 8.610 1.00 0.00 C ATOM 1625 C LYS B 11 2.496 -0.324 7.774 1.00 0.00 C ATOM 1626 O LYS B 11 1.582 0.157 7.114 1.00 0.00 O ATOM 1627 CB LYS B 11 2.638 1.072 9.840 1.00 0.00 C ATOM 1628 CG LYS B 11 3.243 2.315 10.471 1.00 0.00 C ATOM 1629 CD LYS B 11 3.124 2.283 11.987 1.00 0.00 C ATOM 1630 CE LYS B 11 4.195 3.134 12.650 1.00 0.00 C ATOM 1631 NZ LYS B 11 3.646 4.421 13.156 1.00 0.00 N ATOM 0 H LYS B 11 3.146 2.278 7.411 1.00 0.00 H new ATOM 0 HA LYS B 11 4.266 -0.001 8.940 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.607 1.284 9.556 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.606 0.276 10.584 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.293 2.394 10.189 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.741 3.202 10.084 1.00 0.00 H new ATOM 0 HD2 LYS B 11 2.138 2.642 12.283 1.00 0.00 H new ATOM 0 HD3 LYS B 11 3.207 1.254 12.338 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.640 2.579 13.476 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.993 3.336 11.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.423 5.096 13.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 2.976 4.809 12.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.154 4.258 14.058 1.00 0.00 H new ATOM 1645 N GLU B 12 2.755 -1.630 7.818 1.00 0.00 N ATOM 1646 CA GLU B 12 1.983 -2.605 7.045 1.00 0.00 C ATOM 1647 C GLU B 12 0.475 -2.413 7.219 1.00 0.00 C ATOM 1648 O GLU B 12 0.026 -1.652 8.077 1.00 0.00 O ATOM 1649 CB GLU B 12 2.369 -4.027 7.464 1.00 0.00 C ATOM 1650 CG GLU B 12 2.264 -5.047 6.340 1.00 0.00 C ATOM 1651 CD GLU B 12 2.971 -6.349 6.663 1.00 0.00 C ATOM 1652 OE1 GLU B 12 3.024 -6.717 7.856 1.00 0.00 O ATOM 1653 OE2 GLU B 12 3.470 -7.003 5.723 1.00 0.00 O ATOM 0 H GLU B 12 3.498 -2.040 8.384 1.00 0.00 H new ATOM 0 HA GLU B 12 2.220 -2.448 5.993 1.00 0.00 H new ATOM 0 HB2 GLU B 12 3.392 -4.020 7.841 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.727 -4.340 8.288 1.00 0.00 H new ATOM 0 HG2 GLU B 12 1.213 -5.250 6.136 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.689 -4.624 5.430 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.301 -3.146 6.422 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.759 -3.074 6.485 1.00 0.00 C ATOM 1662 C PHE B 13 -2.283 -4.047 7.525 1.00 0.00 C ATOM 1663 O PHE B 13 -2.552 -5.212 7.229 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.366 -3.402 5.118 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.657 -2.684 4.809 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.359 -2.010 5.801 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -4.178 -2.698 3.522 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.544 -1.361 5.511 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.365 -2.052 3.231 1.00 0.00 C ATOM 1670 CZ PHE B 13 -6.044 -1.379 4.225 1.00 0.00 C ATOM 0 H PHE B 13 0.057 -3.798 5.724 1.00 0.00 H new ATOM 0 HA PHE B 13 -2.046 -2.061 6.766 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.637 -3.158 4.345 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.542 -4.476 5.063 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.974 -1.993 6.810 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.649 -3.220 2.738 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.079 -0.840 6.291 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.760 -2.074 2.226 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.967 -0.866 3.997 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.839 2.582 9.476 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.409 3.744 8.701 1.00 0.00 C ATOM 1735 C LYS B 18 -8.041 4.230 9.167 1.00 0.00 C ATOM 1736 O LYS B 18 -7.938 5.060 10.071 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.434 4.878 8.810 1.00 0.00 C ATOM 1738 CG LYS B 18 -11.141 4.943 10.154 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.501 4.264 10.101 1.00 0.00 C ATOM 1740 CE LYS B 18 -13.582 5.129 10.728 1.00 0.00 C ATOM 1741 NZ LYS B 18 -14.613 5.538 9.734 1.00 0.00 N ATOM 0 HA LYS B 18 -9.333 3.441 7.657 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.931 5.828 8.629 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -11.179 4.757 8.024 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.524 4.465 10.915 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -11.264 5.984 10.452 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.761 4.050 9.064 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.452 3.308 10.622 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.059 4.581 11.541 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.127 6.018 11.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -15.332 6.126 10.202 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.163 6.082 8.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -15.065 4.691 9.335 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.993 3.702 8.544 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.626 4.072 8.892 1.00 0.00 C ATOM 1757 C TYR B 19 -5.208 5.348 8.171 1.00 0.00 C ATOM 1758 O TYR B 19 -5.215 5.408 6.941 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.670 2.925 8.544 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.445 2.845 9.432 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.483 3.276 10.755 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.255 2.313 8.951 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.365 3.193 11.564 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.136 2.224 9.755 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.195 2.666 11.060 1.00 0.00 C ATOM 1766 OH TYR B 19 -0.082 2.582 11.863 1.00 0.00 O ATOM 0 H TYR B 19 -7.065 3.015 7.794 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.581 4.260 9.965 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.213 1.982 8.608 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.348 3.037 7.509 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.400 3.682 11.156 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.204 1.963 7.931 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -2.408 3.539 12.586 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.218 1.810 9.364 1.00 0.00 H new ATOM 0 HH TYR B 19 0.324 1.695 11.767 1.00 0.00 H new