USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 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 308 CYS SG : rot -50:sc= -1.58 USER MOD Set 1.2: A 316 MET CE :methyl -176:sc= -0.703 (180deg=-0.199) USER MOD Single : A 298 TYR OH : rot 41:sc= 0.712 USER MOD Single : A 300 SER OG : rot 90:sc= 0.769 USER MOD Single : A 306 GLN : amide:sc= 0.72 K(o=0.72,f=-0.45) USER MOD Single : A 307 LYS NZ :NH3+ 161:sc= -0.556 (180deg=-1.13) USER MOD Single : A 312 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 315 GLN : amide:sc= -0.0656 X(o=-0.066,f=-0.066) USER MOD Single : A 318 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD Single : A 323 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 324 MET CE :methyl 161:sc=-0.00555 (180deg=-0.652) USER MOD Single : A 327 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 331 TYR OH : rot 180:sc= 0 USER MOD Single : A 332 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 333 MET CE :methyl -109:sc= -4.45! (180deg=-5.23!) USER MOD Single : A 334 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.4) USER MOD Single : A 336 CYS SG : rot -58:sc= 0.609 USER MOD Single : A 339 SER OG : rot 180:sc= -0.106 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 292 8.858 4.579 14.486 1.00 75.21 N ATOM 78 CA LEU A 292 9.188 3.358 15.214 1.00 44.54 C ATOM 79 C LEU A 292 8.021 2.377 15.190 1.00 11.12 C ATOM 80 O LEU A 292 6.860 2.775 15.294 1.00 64.14 O ATOM 81 CB LEU A 292 9.563 3.689 16.659 1.00 13.05 C ATOM 82 CG LEU A 292 11.056 3.853 16.946 1.00 72.34 C ATOM 83 CD1 LEU A 292 11.803 2.565 16.635 1.00 1.10 C ATOM 84 CD2 LEU A 292 11.629 5.011 16.142 1.00 11.23 C ATOM 0 HA LEU A 292 10.041 2.890 14.722 1.00 44.54 H new ATOM 0 HB2 LEU A 292 9.056 4.611 16.942 1.00 13.05 H new ATOM 0 HB3 LEU A 292 9.174 2.901 17.304 1.00 13.05 H new ATOM 0 HG LEU A 292 11.181 4.075 18.006 1.00 72.34 H new ATOM 0 HD11 LEU A 292 12.864 2.700 16.845 1.00 1.10 H new ATOM 0 HD12 LEU A 292 11.410 1.758 17.254 1.00 1.10 H new ATOM 0 HD13 LEU A 292 11.671 2.313 15.583 1.00 1.10 H new ATOM 0 HD21 LEU A 292 12.692 5.113 16.359 1.00 11.23 H new ATOM 0 HD22 LEU A 292 11.492 4.818 15.078 1.00 11.23 H new ATOM 0 HD23 LEU A 292 11.113 5.932 16.413 1.00 11.23 H new ATOM 96 N ASP A 293 8.336 1.094 15.056 1.00 64.31 N ATOM 97 CA ASP A 293 7.314 0.054 15.022 1.00 11.45 C ATOM 98 C ASP A 293 7.029 -0.472 16.425 1.00 34.54 C ATOM 99 O ASP A 293 7.875 -0.422 17.318 1.00 20.10 O ATOM 100 CB ASP A 293 7.753 -1.094 14.113 1.00 41.25 C ATOM 101 CG ASP A 293 7.060 -1.062 12.765 1.00 75.22 C ATOM 102 OD1 ASP A 293 7.383 -0.171 11.951 1.00 24.52 O ATOM 103 OD2 ASP A 293 6.194 -1.929 12.523 1.00 15.42 O ATOM 0 H ASP A 293 9.292 0.748 14.969 1.00 64.31 H new ATOM 0 HA ASP A 293 6.399 0.491 14.624 1.00 11.45 H new ATOM 0 HB2 ASP A 293 8.832 -1.044 13.965 1.00 41.25 H new ATOM 0 HB3 ASP A 293 7.542 -2.044 14.604 1.00 41.25 H new ATOM 108 N PRO A 294 5.807 -0.990 16.627 1.00 44.53 N ATOM 109 CA PRO A 294 5.382 -1.535 17.919 1.00 31.10 C ATOM 110 C PRO A 294 6.097 -2.837 18.262 1.00 21.42 C ATOM 111 O PRO A 294 6.593 -3.010 19.376 1.00 60.33 O ATOM 112 CB PRO A 294 3.884 -1.783 17.724 1.00 41.04 C ATOM 113 CG PRO A 294 3.719 -1.967 16.254 1.00 22.45 C ATOM 114 CD PRO A 294 4.748 -1.082 15.608 1.00 42.21 C ATOM 0 HA PRO A 294 5.612 -0.859 18.742 1.00 31.10 H new ATOM 0 HB2 PRO A 294 3.554 -2.665 18.273 1.00 41.04 H new ATOM 0 HB3 PRO A 294 3.293 -0.942 18.087 1.00 41.04 H new ATOM 0 HG2 PRO A 294 3.868 -3.009 15.972 1.00 22.45 H new ATOM 0 HG3 PRO A 294 2.713 -1.692 15.937 1.00 22.45 H new ATOM 0 HD2 PRO A 294 5.121 -1.512 14.678 1.00 42.21 H new ATOM 0 HD3 PRO A 294 4.339 -0.102 15.364 1.00 42.21 H new ATOM 122 N VAL A 295 6.147 -3.752 17.298 1.00 2.55 N ATOM 123 CA VAL A 295 6.803 -5.038 17.498 1.00 24.04 C ATOM 124 C VAL A 295 8.279 -4.856 17.836 1.00 51.21 C ATOM 125 O VAL A 295 8.831 -5.584 18.659 1.00 25.42 O ATOM 126 CB VAL A 295 6.680 -5.931 16.249 1.00 23.05 C ATOM 127 CG1 VAL A 295 7.232 -5.216 15.025 1.00 34.23 C ATOM 128 CG2 VAL A 295 7.394 -7.256 16.470 1.00 62.10 C ATOM 0 H VAL A 295 5.741 -3.626 16.371 1.00 2.55 H new ATOM 0 HA VAL A 295 6.299 -5.523 18.334 1.00 24.04 H new ATOM 0 HB VAL A 295 5.624 -6.138 16.074 1.00 23.05 H new ATOM 0 HG11 VAL A 295 7.137 -5.862 14.152 1.00 34.23 H new ATOM 0 HG12 VAL A 295 6.672 -4.296 14.858 1.00 34.23 H new ATOM 0 HG13 VAL A 295 8.283 -4.977 15.186 1.00 34.23 H new ATOM 0 HG21 VAL A 295 7.297 -7.875 15.578 1.00 62.10 H new ATOM 0 HG22 VAL A 295 8.449 -7.072 16.671 1.00 62.10 H new ATOM 0 HG23 VAL A 295 6.948 -7.772 17.320 1.00 62.10 H new ATOM 138 N GLU A 296 8.911 -3.878 17.194 1.00 12.12 N ATOM 139 CA GLU A 296 10.323 -3.600 17.427 1.00 63.41 C ATOM 140 C GLU A 296 10.570 -3.218 18.883 1.00 31.15 C ATOM 141 O GLU A 296 11.509 -3.703 19.514 1.00 64.41 O ATOM 142 CB GLU A 296 10.804 -2.478 16.505 1.00 11.31 C ATOM 143 CG GLU A 296 12.160 -2.746 15.875 1.00 4.13 C ATOM 144 CD GLU A 296 12.567 -1.671 14.886 1.00 2.12 C ATOM 145 OE1 GLU A 296 12.175 -0.502 15.085 1.00 64.11 O ATOM 146 OE2 GLU A 296 13.278 -1.999 13.913 1.00 22.33 O ATOM 0 H GLU A 296 8.468 -3.266 16.509 1.00 12.12 H new ATOM 0 HA GLU A 296 10.886 -4.507 17.207 1.00 63.41 H new ATOM 0 HB2 GLU A 296 10.069 -2.329 15.714 1.00 11.31 H new ATOM 0 HB3 GLU A 296 10.854 -1.549 17.073 1.00 11.31 H new ATOM 0 HG2 GLU A 296 12.913 -2.816 16.660 1.00 4.13 H new ATOM 0 HG3 GLU A 296 12.137 -3.711 15.368 1.00 4.13 H new ATOM 153 N VAL A 297 9.719 -2.344 19.412 1.00 62.00 N ATOM 154 CA VAL A 297 9.843 -1.896 20.794 1.00 64.11 C ATOM 155 C VAL A 297 9.556 -3.033 21.768 1.00 22.10 C ATOM 156 O VAL A 297 10.270 -3.214 22.755 1.00 61.54 O ATOM 157 CB VAL A 297 8.888 -0.725 21.092 1.00 21.34 C ATOM 158 CG1 VAL A 297 8.956 -0.342 22.563 1.00 43.23 C ATOM 159 CG2 VAL A 297 9.214 0.467 20.206 1.00 4.32 C ATOM 0 H VAL A 297 8.936 -1.932 18.904 1.00 62.00 H new ATOM 0 HA VAL A 297 10.871 -1.559 20.927 1.00 64.11 H new ATOM 0 HB VAL A 297 7.869 -1.044 20.871 1.00 21.34 H new ATOM 0 HG11 VAL A 297 8.275 0.487 22.755 1.00 43.23 H new ATOM 0 HG12 VAL A 297 8.669 -1.197 23.175 1.00 43.23 H new ATOM 0 HG13 VAL A 297 9.973 -0.041 22.814 1.00 43.23 H new ATOM 0 HG21 VAL A 297 8.529 1.285 20.430 1.00 4.32 H new ATOM 0 HG22 VAL A 297 10.238 0.790 20.393 1.00 4.32 H new ATOM 0 HG23 VAL A 297 9.108 0.182 19.159 1.00 4.32 H new ATOM 169 N TYR A 298 8.507 -3.797 21.484 1.00 11.44 N ATOM 170 CA TYR A 298 8.123 -4.916 22.337 1.00 44.23 C ATOM 171 C TYR A 298 9.244 -5.948 22.418 1.00 43.30 C ATOM 172 O TYR A 298 9.586 -6.424 23.500 1.00 73.43 O ATOM 173 CB TYR A 298 6.848 -5.573 21.808 1.00 75.03 C ATOM 174 CG TYR A 298 6.049 -6.290 22.873 1.00 24.30 C ATOM 175 CD1 TYR A 298 6.571 -7.396 23.533 1.00 24.10 C ATOM 176 CD2 TYR A 298 4.774 -5.863 23.219 1.00 75.00 C ATOM 177 CE1 TYR A 298 5.846 -8.055 24.507 1.00 73.15 C ATOM 178 CE2 TYR A 298 4.041 -6.515 24.192 1.00 3.12 C ATOM 179 CZ TYR A 298 4.582 -7.610 24.833 1.00 75.51 C ATOM 180 OH TYR A 298 3.855 -8.263 25.802 1.00 72.41 O ATOM 0 H TYR A 298 7.907 -3.662 20.670 1.00 11.44 H new ATOM 0 HA TYR A 298 7.936 -4.529 23.339 1.00 44.23 H new ATOM 0 HB2 TYR A 298 6.221 -4.810 21.347 1.00 75.03 H new ATOM 0 HB3 TYR A 298 7.113 -6.283 21.025 1.00 75.03 H new ATOM 0 HD1 TYR A 298 7.561 -7.746 23.280 1.00 24.10 H new ATOM 0 HD2 TYR A 298 4.348 -5.006 22.719 1.00 75.00 H new ATOM 0 HE1 TYR A 298 6.266 -8.913 25.010 1.00 73.15 H new ATOM 0 HE2 TYR A 298 3.051 -6.169 24.449 1.00 3.12 H new ATOM 0 HH TYR A 298 4.445 -8.507 26.545 1.00 72.41 H new ATOM 190 N GLU A 299 9.813 -6.287 21.265 1.00 54.51 N ATOM 191 CA GLU A 299 10.895 -7.262 21.205 1.00 0.22 C ATOM 192 C GLU A 299 12.185 -6.679 21.775 1.00 51.41 C ATOM 193 O GLU A 299 13.094 -7.414 22.161 1.00 15.23 O ATOM 194 CB GLU A 299 11.122 -7.717 19.762 1.00 30.11 C ATOM 195 CG GLU A 299 9.945 -8.474 19.170 1.00 13.33 C ATOM 196 CD GLU A 299 10.375 -9.683 18.363 1.00 31.43 C ATOM 197 OE1 GLU A 299 11.298 -9.546 17.534 1.00 73.15 O ATOM 198 OE2 GLU A 299 9.788 -10.768 18.563 1.00 41.25 O ATOM 0 H GLU A 299 9.542 -5.901 20.361 1.00 54.51 H new ATOM 0 HA GLU A 299 10.608 -8.123 21.809 1.00 0.22 H new ATOM 0 HB2 GLU A 299 11.330 -6.844 19.143 1.00 30.11 H new ATOM 0 HB3 GLU A 299 12.007 -8.352 19.725 1.00 30.11 H new ATOM 0 HG2 GLU A 299 9.283 -8.795 19.974 1.00 13.33 H new ATOM 0 HG3 GLU A 299 9.370 -7.803 18.533 1.00 13.33 H new ATOM 205 N SER A 300 12.257 -5.352 21.823 1.00 62.30 N ATOM 206 CA SER A 300 13.437 -4.669 22.341 1.00 72.30 C ATOM 207 C SER A 300 13.274 -4.354 23.825 1.00 64.41 C ATOM 208 O SER A 300 13.951 -3.477 24.363 1.00 24.44 O ATOM 209 CB SER A 300 13.690 -3.379 21.559 1.00 54.11 C ATOM 210 OG SER A 300 14.178 -3.658 20.258 1.00 34.21 O ATOM 0 H SER A 300 11.513 -4.729 21.510 1.00 62.30 H new ATOM 0 HA SER A 300 14.293 -5.332 22.220 1.00 72.30 H new ATOM 0 HB2 SER A 300 12.766 -2.806 21.489 1.00 54.11 H new ATOM 0 HB3 SER A 300 14.409 -2.760 22.095 1.00 54.11 H new ATOM 0 HG SER A 300 13.424 -3.754 19.639 1.00 34.21 H new ATOM 216 N LEU A 301 12.372 -5.076 24.481 1.00 42.22 N ATOM 217 CA LEU A 301 12.119 -4.875 25.903 1.00 2.14 C ATOM 218 C LEU A 301 12.515 -6.110 26.707 1.00 51.24 C ATOM 219 O LEU A 301 12.583 -7.223 26.186 1.00 21.51 O ATOM 220 CB LEU A 301 10.643 -4.551 26.138 1.00 33.32 C ATOM 221 CG LEU A 301 10.317 -3.090 26.448 1.00 50.30 C ATOM 222 CD1 LEU A 301 11.055 -2.164 25.493 1.00 74.42 C ATOM 223 CD2 LEU A 301 8.816 -2.850 26.373 1.00 60.42 C ATOM 0 H LEU A 301 11.804 -5.806 24.051 1.00 42.22 H new ATOM 0 HA LEU A 301 12.727 -4.035 26.239 1.00 2.14 H new ATOM 0 HB2 LEU A 301 10.081 -4.848 25.252 1.00 33.32 H new ATOM 0 HB3 LEU A 301 10.284 -5.165 26.964 1.00 33.32 H new ATOM 0 HG LEU A 301 10.649 -2.872 27.463 1.00 50.30 H new ATOM 0 HD11 LEU A 301 10.811 -1.128 25.729 1.00 74.42 H new ATOM 0 HD12 LEU A 301 12.129 -2.316 25.596 1.00 74.42 H new ATOM 0 HD13 LEU A 301 10.754 -2.383 24.468 1.00 74.42 H new ATOM 0 HD21 LEU A 301 8.603 -1.805 26.597 1.00 60.42 H new ATOM 0 HD22 LEU A 301 8.459 -3.087 25.371 1.00 60.42 H new ATOM 0 HD23 LEU A 301 8.309 -3.487 27.098 1.00 60.42 H new ATOM 235 N PRO A 302 12.780 -5.911 28.006 1.00 2.33 N ATOM 236 CA PRO A 302 13.171 -6.997 28.910 1.00 53.11 C ATOM 237 C PRO A 302 12.021 -7.959 29.191 1.00 2.41 C ATOM 238 O PRO A 302 10.853 -7.577 29.133 1.00 51.24 O ATOM 239 CB PRO A 302 13.580 -6.264 30.190 1.00 52.32 C ATOM 240 CG PRO A 302 12.827 -4.979 30.148 1.00 51.15 C ATOM 241 CD PRO A 302 12.719 -4.610 28.694 1.00 52.02 C ATOM 0 HA PRO A 302 13.962 -7.615 28.486 1.00 53.11 H new ATOM 0 HB2 PRO A 302 13.324 -6.844 31.077 1.00 52.32 H new ATOM 0 HB3 PRO A 302 14.656 -6.092 30.221 1.00 52.32 H new ATOM 0 HG2 PRO A 302 11.840 -5.090 30.597 1.00 51.15 H new ATOM 0 HG3 PRO A 302 13.347 -4.203 30.710 1.00 51.15 H new ATOM 0 HD2 PRO A 302 11.787 -4.086 28.481 1.00 52.02 H new ATOM 0 HD3 PRO A 302 13.532 -3.953 28.385 1.00 52.02 H new ATOM 249 N GLU A 303 12.361 -9.207 29.497 1.00 42.12 N ATOM 250 CA GLU A 303 11.356 -10.222 29.787 1.00 72.54 C ATOM 251 C GLU A 303 10.302 -9.685 30.751 1.00 23.41 C ATOM 252 O GLU A 303 9.126 -10.033 30.657 1.00 32.51 O ATOM 253 CB GLU A 303 12.015 -11.470 30.377 1.00 21.55 C ATOM 254 CG GLU A 303 12.560 -12.426 29.329 1.00 55.33 C ATOM 255 CD GLU A 303 11.491 -13.340 28.761 1.00 11.32 C ATOM 256 OE1 GLU A 303 10.736 -12.891 27.874 1.00 71.14 O ATOM 257 OE2 GLU A 303 11.410 -14.504 29.205 1.00 24.31 O ATOM 0 H GLU A 303 13.324 -9.539 29.550 1.00 42.12 H new ATOM 0 HA GLU A 303 10.865 -10.488 28.851 1.00 72.54 H new ATOM 0 HB2 GLU A 303 12.828 -11.164 31.035 1.00 21.55 H new ATOM 0 HB3 GLU A 303 11.287 -11.997 30.994 1.00 21.55 H new ATOM 0 HG2 GLU A 303 13.011 -11.853 28.519 1.00 55.33 H new ATOM 0 HG3 GLU A 303 13.352 -13.030 29.771 1.00 55.33 H new ATOM 264 N GLU A 304 10.735 -8.836 31.678 1.00 71.21 N ATOM 265 CA GLU A 304 9.829 -8.252 32.660 1.00 23.45 C ATOM 266 C GLU A 304 8.772 -7.388 31.980 1.00 41.22 C ATOM 267 O GLU A 304 7.585 -7.472 32.299 1.00 43.22 O ATOM 268 CB GLU A 304 10.612 -7.416 33.675 1.00 61.12 C ATOM 269 CG GLU A 304 11.465 -8.246 34.620 1.00 74.33 C ATOM 270 CD GLU A 304 11.399 -7.752 36.052 1.00 51.14 C ATOM 271 OE1 GLU A 304 10.292 -7.392 36.504 1.00 33.32 O ATOM 272 OE2 GLU A 304 12.454 -7.724 36.719 1.00 34.13 O ATOM 0 H GLU A 304 11.706 -8.538 31.769 1.00 71.21 H new ATOM 0 HA GLU A 304 9.326 -9.066 33.181 1.00 23.45 H new ATOM 0 HB2 GLU A 304 11.254 -6.717 33.139 1.00 61.12 H new ATOM 0 HB3 GLU A 304 9.911 -6.821 34.260 1.00 61.12 H new ATOM 0 HG2 GLU A 304 11.136 -9.285 34.582 1.00 74.33 H new ATOM 0 HG3 GLU A 304 12.501 -8.227 34.280 1.00 74.33 H new ATOM 279 N LEU A 305 9.211 -6.557 31.041 1.00 1.30 N ATOM 280 CA LEU A 305 8.304 -5.675 30.314 1.00 33.25 C ATOM 281 C LEU A 305 7.337 -6.480 29.452 1.00 32.10 C ATOM 282 O LEU A 305 6.136 -6.213 29.436 1.00 34.24 O ATOM 283 CB LEU A 305 9.097 -4.703 29.440 1.00 62.04 C ATOM 284 CG LEU A 305 8.879 -3.216 29.721 1.00 4.10 C ATOM 285 CD1 LEU A 305 7.394 -2.901 29.809 1.00 22.33 C ATOM 286 CD2 LEU A 305 9.590 -2.806 31.002 1.00 4.15 C ATOM 0 H LEU A 305 10.190 -6.475 30.765 1.00 1.30 H new ATOM 0 HA LEU A 305 7.726 -5.108 31.043 1.00 33.25 H new ATOM 0 HB2 LEU A 305 10.158 -4.923 29.558 1.00 62.04 H new ATOM 0 HB3 LEU A 305 8.846 -4.896 28.397 1.00 62.04 H new ATOM 0 HG LEU A 305 9.302 -2.644 28.895 1.00 4.10 H new ATOM 0 HD11 LEU A 305 7.259 -1.838 30.009 1.00 22.33 H new ATOM 0 HD12 LEU A 305 6.911 -3.157 28.866 1.00 22.33 H new ATOM 0 HD13 LEU A 305 6.946 -3.482 30.615 1.00 22.33 H new ATOM 0 HD21 LEU A 305 9.424 -1.745 31.186 1.00 4.15 H new ATOM 0 HD22 LEU A 305 9.197 -3.385 31.838 1.00 4.15 H new ATOM 0 HD23 LEU A 305 10.659 -2.994 30.901 1.00 4.15 H new ATOM 298 N GLN A 306 7.869 -7.467 28.738 1.00 4.42 N ATOM 299 CA GLN A 306 7.053 -8.311 27.875 1.00 74.32 C ATOM 300 C GLN A 306 5.989 -9.048 28.682 1.00 23.34 C ATOM 301 O GLN A 306 4.857 -9.218 28.230 1.00 51.32 O ATOM 302 CB GLN A 306 7.932 -9.317 27.130 1.00 41.24 C ATOM 303 CG GLN A 306 8.904 -8.670 26.156 1.00 24.41 C ATOM 304 CD GLN A 306 9.591 -9.682 25.260 1.00 44.44 C ATOM 305 OE1 GLN A 306 9.752 -10.846 25.627 1.00 41.13 O ATOM 306 NE2 GLN A 306 10.001 -9.241 24.076 1.00 62.43 N ATOM 0 H GLN A 306 8.862 -7.701 28.741 1.00 4.42 H new ATOM 0 HA GLN A 306 6.553 -7.669 27.150 1.00 74.32 H new ATOM 0 HB2 GLN A 306 8.495 -9.904 27.856 1.00 41.24 H new ATOM 0 HB3 GLN A 306 7.293 -10.012 26.585 1.00 41.24 H new ATOM 0 HG2 GLN A 306 8.368 -7.948 25.539 1.00 24.41 H new ATOM 0 HG3 GLN A 306 9.657 -8.115 26.715 1.00 24.41 H new ATOM 0 HE21 GLN A 306 9.847 -8.268 23.813 1.00 62.43 H new ATOM 0 HE22 GLN A 306 10.470 -9.876 23.430 1.00 62.43 H new ATOM 315 N LYS A 307 6.361 -9.485 29.881 1.00 60.53 N ATOM 316 CA LYS A 307 5.440 -10.204 30.753 1.00 31.02 C ATOM 317 C LYS A 307 4.387 -9.261 31.327 1.00 31.41 C ATOM 318 O LYS A 307 3.230 -9.643 31.505 1.00 34.32 O ATOM 319 CB LYS A 307 6.207 -10.882 31.891 1.00 73.33 C ATOM 320 CG LYS A 307 5.718 -10.488 33.274 1.00 72.03 C ATOM 321 CD LYS A 307 6.438 -11.266 34.362 1.00 11.24 C ATOM 322 CE LYS A 307 7.818 -10.689 34.640 1.00 73.12 C ATOM 323 NZ LYS A 307 7.746 -9.273 35.095 1.00 33.01 N ATOM 0 H LYS A 307 7.294 -9.353 30.271 1.00 60.53 H new ATOM 0 HA LYS A 307 4.936 -10.966 30.159 1.00 31.02 H new ATOM 0 HB2 LYS A 307 6.124 -11.963 31.780 1.00 73.33 H new ATOM 0 HB3 LYS A 307 7.265 -10.633 31.804 1.00 73.33 H new ATOM 0 HG2 LYS A 307 5.874 -9.420 33.425 1.00 72.03 H new ATOM 0 HG3 LYS A 307 4.645 -10.667 33.346 1.00 72.03 H new ATOM 0 HD2 LYS A 307 5.845 -11.249 35.276 1.00 11.24 H new ATOM 0 HD3 LYS A 307 6.532 -12.310 34.063 1.00 11.24 H new ATOM 0 HE2 LYS A 307 8.316 -11.290 35.401 1.00 73.12 H new ATOM 0 HE3 LYS A 307 8.426 -10.750 33.737 1.00 73.12 H new ATOM 0 HZ1 LYS A 307 8.633 -9.016 35.573 1.00 33.01 H new ATOM 0 HZ2 LYS A 307 7.603 -8.651 34.274 1.00 33.01 H new ATOM 0 HZ3 LYS A 307 6.952 -9.161 35.757 1.00 33.01 H new ATOM 337 N CYS A 308 4.795 -8.030 31.613 1.00 73.01 N ATOM 338 CA CYS A 308 3.886 -7.032 32.166 1.00 75.50 C ATOM 339 C CYS A 308 2.843 -6.615 31.134 1.00 70.42 C ATOM 340 O CYS A 308 1.665 -6.457 31.455 1.00 71.22 O ATOM 341 CB CYS A 308 4.668 -5.808 32.642 1.00 13.34 C ATOM 342 SG CYS A 308 3.877 -4.907 33.996 1.00 32.54 S ATOM 0 H CYS A 308 5.749 -7.699 31.471 1.00 73.01 H new ATOM 0 HA CYS A 308 3.371 -7.478 33.017 1.00 75.50 H new ATOM 0 HB2 CYS A 308 5.660 -6.126 32.962 1.00 13.34 H new ATOM 0 HB3 CYS A 308 4.807 -5.129 31.801 1.00 13.34 H new ATOM 0 HG CYS A 308 2.633 -4.678 33.697 1.00 32.54 H new ATOM 348 N PHE A 309 3.285 -6.437 29.893 1.00 34.12 N ATOM 349 CA PHE A 309 2.390 -6.035 28.814 1.00 63.43 C ATOM 350 C PHE A 309 1.386 -7.140 28.500 1.00 72.30 C ATOM 351 O PHE A 309 0.233 -6.869 28.162 1.00 4.25 O ATOM 352 CB PHE A 309 3.194 -5.690 27.559 1.00 64.25 C ATOM 353 CG PHE A 309 3.849 -4.339 27.618 1.00 35.43 C ATOM 354 CD1 PHE A 309 3.831 -3.598 28.789 1.00 52.35 C ATOM 355 CD2 PHE A 309 4.481 -3.812 26.505 1.00 45.45 C ATOM 356 CE1 PHE A 309 4.431 -2.354 28.846 1.00 63.22 C ATOM 357 CE2 PHE A 309 5.084 -2.569 26.556 1.00 41.30 C ATOM 358 CZ PHE A 309 5.060 -1.840 27.729 1.00 52.43 C ATOM 0 H PHE A 309 4.257 -6.565 29.610 1.00 34.12 H new ATOM 0 HA PHE A 309 1.841 -5.152 29.141 1.00 63.43 H new ATOM 0 HB2 PHE A 309 3.961 -6.450 27.408 1.00 64.25 H new ATOM 0 HB3 PHE A 309 2.534 -5.727 26.693 1.00 64.25 H new ATOM 0 HD1 PHE A 309 3.343 -3.997 29.666 1.00 52.35 H new ATOM 0 HD2 PHE A 309 4.503 -4.379 25.586 1.00 45.45 H new ATOM 0 HE1 PHE A 309 4.408 -1.784 29.763 1.00 63.22 H new ATOM 0 HE2 PHE A 309 5.573 -2.169 25.680 1.00 41.30 H new ATOM 0 HZ PHE A 309 5.532 -0.870 27.773 1.00 52.43 H new ATOM 368 N ASP A 310 1.832 -8.386 28.613 1.00 32.43 N ATOM 369 CA ASP A 310 0.973 -9.534 28.343 1.00 40.54 C ATOM 370 C ASP A 310 -0.222 -9.553 29.290 1.00 31.34 C ATOM 371 O ASP A 310 -1.336 -9.895 28.894 1.00 34.43 O ATOM 372 CB ASP A 310 1.767 -10.834 28.475 1.00 35.33 C ATOM 373 CG ASP A 310 0.950 -12.052 28.089 1.00 25.32 C ATOM 374 OD1 ASP A 310 0.670 -12.221 26.884 1.00 72.11 O ATOM 375 OD2 ASP A 310 0.593 -12.837 28.992 1.00 22.12 O ATOM 0 H ASP A 310 2.784 -8.627 28.890 1.00 32.43 H new ATOM 0 HA ASP A 310 0.602 -9.447 27.322 1.00 40.54 H new ATOM 0 HB2 ASP A 310 2.654 -10.780 27.844 1.00 35.33 H new ATOM 0 HB3 ASP A 310 2.113 -10.943 29.503 1.00 35.33 H new ATOM 380 N VAL A 311 0.018 -9.185 30.545 1.00 72.10 N ATOM 381 CA VAL A 311 -1.038 -9.160 31.550 1.00 75.43 C ATOM 382 C VAL A 311 -1.785 -7.831 31.530 1.00 61.21 C ATOM 383 O VAL A 311 -2.556 -7.525 32.440 1.00 63.41 O ATOM 384 CB VAL A 311 -0.474 -9.399 32.963 1.00 14.20 C ATOM 385 CG1 VAL A 311 0.004 -10.835 33.112 1.00 44.12 C ATOM 386 CG2 VAL A 311 0.651 -8.419 33.259 1.00 23.41 C ATOM 0 H VAL A 311 0.935 -8.900 30.890 1.00 72.10 H new ATOM 0 HA VAL A 311 -1.730 -9.965 31.302 1.00 75.43 H new ATOM 0 HB VAL A 311 -1.271 -9.231 33.687 1.00 14.20 H new ATOM 0 HG11 VAL A 311 0.399 -10.985 34.117 1.00 44.12 H new ATOM 0 HG12 VAL A 311 -0.831 -11.516 32.945 1.00 44.12 H new ATOM 0 HG13 VAL A 311 0.787 -11.036 32.381 1.00 44.12 H new ATOM 0 HG21 VAL A 311 1.038 -8.602 34.261 1.00 23.41 H new ATOM 0 HG22 VAL A 311 1.451 -8.553 32.531 1.00 23.41 H new ATOM 0 HG23 VAL A 311 0.271 -7.399 33.197 1.00 23.41 H new ATOM 396 N LYS A 312 -1.552 -7.044 30.486 1.00 44.44 N ATOM 397 CA LYS A 312 -2.203 -5.747 30.344 1.00 4.42 C ATOM 398 C LYS A 312 -2.396 -5.084 31.704 1.00 11.14 C ATOM 399 O LYS A 312 -3.359 -4.346 31.914 1.00 3.44 O ATOM 400 CB LYS A 312 -3.555 -5.905 29.645 1.00 22.13 C ATOM 401 CG LYS A 312 -3.440 -6.234 28.167 1.00 75.01 C ATOM 402 CD LYS A 312 -4.542 -5.567 27.360 1.00 34.45 C ATOM 403 CE LYS A 312 -5.714 -6.510 27.132 1.00 12.13 C ATOM 404 NZ LYS A 312 -6.020 -6.674 25.684 1.00 14.33 N ATOM 0 H LYS A 312 -0.916 -7.282 29.725 1.00 44.44 H new ATOM 0 HA LYS A 312 -1.560 -5.110 29.737 1.00 4.42 H new ATOM 0 HB2 LYS A 312 -4.121 -6.693 30.141 1.00 22.13 H new ATOM 0 HB3 LYS A 312 -4.124 -4.983 29.760 1.00 22.13 H new ATOM 0 HG2 LYS A 312 -2.468 -5.909 27.796 1.00 75.01 H new ATOM 0 HG3 LYS A 312 -3.489 -7.314 28.029 1.00 75.01 H new ATOM 0 HD2 LYS A 312 -4.888 -4.675 27.882 1.00 34.45 H new ATOM 0 HD3 LYS A 312 -4.144 -5.240 26.399 1.00 34.45 H new ATOM 0 HE2 LYS A 312 -5.487 -7.483 27.568 1.00 12.13 H new ATOM 0 HE3 LYS A 312 -6.594 -6.127 27.648 1.00 12.13 H new ATOM 0 HZ1 LYS A 312 -6.824 -7.324 25.571 1.00 14.33 H new ATOM 0 HZ2 LYS A 312 -6.261 -5.749 25.273 1.00 14.33 H new ATOM 0 HZ3 LYS A 312 -5.189 -7.064 25.195 1.00 14.33 H new ATOM 418 N ASP A 313 -1.475 -5.351 32.624 1.00 73.12 N ATOM 419 CA ASP A 313 -1.543 -4.778 33.963 1.00 35.42 C ATOM 420 C ASP A 313 -0.648 -3.549 34.075 1.00 44.34 C ATOM 421 O ASP A 313 0.499 -3.640 34.514 1.00 73.41 O ATOM 422 CB ASP A 313 -1.135 -5.819 35.007 1.00 2.33 C ATOM 423 CG ASP A 313 -1.621 -5.464 36.399 1.00 61.21 C ATOM 424 OD1 ASP A 313 -2.274 -4.411 36.548 1.00 10.42 O ATOM 425 OD2 ASP A 313 -1.347 -6.240 37.339 1.00 75.02 O ATOM 0 H ASP A 313 -0.673 -5.961 32.467 1.00 73.12 H new ATOM 0 HA ASP A 313 -2.573 -4.472 34.149 1.00 35.42 H new ATOM 0 HB2 ASP A 313 -1.536 -6.792 34.722 1.00 2.33 H new ATOM 0 HB3 ASP A 313 -0.049 -5.913 35.017 1.00 2.33 H new ATOM 430 N VAL A 314 -1.178 -2.398 33.673 1.00 50.04 N ATOM 431 CA VAL A 314 -0.427 -1.150 33.727 1.00 1.51 C ATOM 432 C VAL A 314 0.024 -0.841 35.150 1.00 14.15 C ATOM 433 O VAL A 314 1.130 -0.349 35.368 1.00 25.01 O ATOM 434 CB VAL A 314 -1.262 0.031 33.197 1.00 3.42 C ATOM 435 CG1 VAL A 314 -0.404 1.283 33.082 1.00 34.43 C ATOM 436 CG2 VAL A 314 -1.890 -0.320 31.857 1.00 45.42 C ATOM 0 H VAL A 314 -2.125 -2.304 33.306 1.00 50.04 H new ATOM 0 HA VAL A 314 0.449 -1.280 33.092 1.00 1.51 H new ATOM 0 HB VAL A 314 -2.064 0.234 33.906 1.00 3.42 H new ATOM 0 HG11 VAL A 314 -1.011 2.107 32.706 1.00 34.43 H new ATOM 0 HG12 VAL A 314 -0.007 1.543 34.063 1.00 34.43 H new ATOM 0 HG13 VAL A 314 0.421 1.097 32.394 1.00 34.43 H new ATOM 0 HG21 VAL A 314 -2.476 0.526 31.497 1.00 45.42 H new ATOM 0 HG22 VAL A 314 -1.105 -0.550 31.136 1.00 45.42 H new ATOM 0 HG23 VAL A 314 -2.539 -1.187 31.976 1.00 45.42 H new ATOM 446 N GLN A 315 -0.842 -1.134 36.116 1.00 42.22 N ATOM 447 CA GLN A 315 -0.532 -0.887 37.519 1.00 33.12 C ATOM 448 C GLN A 315 0.787 -1.545 37.909 1.00 3.34 C ATOM 449 O GLN A 315 1.607 -0.947 38.606 1.00 22.31 O ATOM 450 CB GLN A 315 -1.660 -1.410 38.411 1.00 4.34 C ATOM 451 CG GLN A 315 -3.041 -0.940 37.985 1.00 42.33 C ATOM 452 CD GLN A 315 -3.125 0.567 37.836 1.00 24.33 C ATOM 453 OE1 GLN A 315 -3.013 1.101 36.732 1.00 22.43 O ATOM 454 NE2 GLN A 315 -3.323 1.261 38.951 1.00 44.55 N ATOM 0 H GLN A 315 -1.762 -1.542 35.952 1.00 42.22 H new ATOM 0 HA GLN A 315 -0.435 0.189 37.660 1.00 33.12 H new ATOM 0 HB2 GLN A 315 -1.639 -2.500 38.407 1.00 4.34 H new ATOM 0 HB3 GLN A 315 -1.478 -1.091 39.437 1.00 4.34 H new ATOM 0 HG2 GLN A 315 -3.304 -1.410 37.037 1.00 42.33 H new ATOM 0 HG3 GLN A 315 -3.776 -1.270 38.720 1.00 42.33 H new ATOM 0 HE21 GLN A 315 -3.410 0.777 39.844 1.00 44.55 H new ATOM 0 HE22 GLN A 315 -3.388 2.278 38.914 1.00 44.55 H new ATOM 463 N MET A 316 0.985 -2.778 37.456 1.00 61.13 N ATOM 464 CA MET A 316 2.206 -3.516 37.757 1.00 21.22 C ATOM 465 C MET A 316 3.409 -2.882 37.067 1.00 43.13 C ATOM 466 O MET A 316 4.512 -2.860 37.615 1.00 63.22 O ATOM 467 CB MET A 316 2.065 -4.976 37.323 1.00 63.33 C ATOM 468 CG MET A 316 2.984 -5.926 38.075 1.00 14.52 C ATOM 469 SD MET A 316 4.012 -6.916 36.974 1.00 41.20 S ATOM 470 CE MET A 316 5.466 -5.878 36.844 1.00 0.12 C ATOM 0 H MET A 316 0.316 -3.287 36.879 1.00 61.13 H new ATOM 0 HA MET A 316 2.367 -3.479 38.834 1.00 21.22 H new ATOM 0 HB2 MET A 316 1.032 -5.292 37.469 1.00 63.33 H new ATOM 0 HB3 MET A 316 2.273 -5.051 36.256 1.00 63.33 H new ATOM 0 HG2 MET A 316 3.624 -5.352 38.745 1.00 14.52 H new ATOM 0 HG3 MET A 316 2.384 -6.589 38.698 1.00 14.52 H new ATOM 0 HE1 MET A 316 6.168 -6.322 36.138 1.00 0.12 H new ATOM 0 HE2 MET A 316 5.176 -4.887 36.494 1.00 0.12 H new ATOM 0 HE3 MET A 316 5.941 -5.792 37.822 1.00 0.12 H new ATOM 480 N LEU A 317 3.191 -2.367 35.862 1.00 53.11 N ATOM 481 CA LEU A 317 4.258 -1.732 35.096 1.00 13.11 C ATOM 482 C LEU A 317 4.759 -0.475 35.800 1.00 52.35 C ATOM 483 O LEU A 317 5.963 -0.231 35.871 1.00 11.03 O ATOM 484 CB LEU A 317 3.765 -1.382 33.691 1.00 50.21 C ATOM 485 CG LEU A 317 4.758 -0.638 32.797 1.00 22.22 C ATOM 486 CD1 LEU A 317 5.867 -1.573 32.339 1.00 50.33 C ATOM 487 CD2 LEU A 317 4.045 -0.027 31.600 1.00 14.23 C ATOM 0 H LEU A 317 2.285 -2.377 35.394 1.00 53.11 H new ATOM 0 HA LEU A 317 5.086 -2.437 35.018 1.00 13.11 H new ATOM 0 HB2 LEU A 317 3.476 -2.305 33.189 1.00 50.21 H new ATOM 0 HB3 LEU A 317 2.865 -0.774 33.784 1.00 50.21 H new ATOM 0 HG LEU A 317 5.206 0.168 33.377 1.00 22.22 H new ATOM 0 HD11 LEU A 317 6.564 -1.027 31.704 1.00 50.33 H new ATOM 0 HD12 LEU A 317 6.397 -1.962 33.208 1.00 50.33 H new ATOM 0 HD13 LEU A 317 5.436 -2.401 31.776 1.00 50.33 H new ATOM 0 HD21 LEU A 317 4.767 0.498 30.975 1.00 14.23 H new ATOM 0 HD22 LEU A 317 3.569 -0.816 31.018 1.00 14.23 H new ATOM 0 HD23 LEU A 317 3.287 0.675 31.947 1.00 14.23 H new ATOM 499 N GLN A 318 3.827 0.318 36.318 1.00 12.24 N ATOM 500 CA GLN A 318 4.175 1.549 37.018 1.00 51.43 C ATOM 501 C GLN A 318 5.150 1.271 38.157 1.00 44.54 C ATOM 502 O GLN A 318 6.003 2.101 38.473 1.00 45.03 O ATOM 503 CB GLN A 318 2.915 2.225 37.563 1.00 63.13 C ATOM 504 CG GLN A 318 2.208 3.105 36.545 1.00 70.12 C ATOM 505 CD GLN A 318 1.630 4.363 37.162 1.00 2.14 C ATOM 506 OE1 GLN A 318 2.292 5.400 37.222 1.00 70.25 O ATOM 507 NE2 GLN A 318 0.389 4.279 37.627 1.00 61.21 N ATOM 0 H GLN A 318 2.826 0.130 36.266 1.00 12.24 H new ATOM 0 HA GLN A 318 4.658 2.218 36.306 1.00 51.43 H new ATOM 0 HB2 GLN A 318 2.223 1.458 37.911 1.00 63.13 H new ATOM 0 HB3 GLN A 318 3.183 2.829 38.430 1.00 63.13 H new ATOM 0 HG2 GLN A 318 2.911 3.380 35.759 1.00 70.12 H new ATOM 0 HG3 GLN A 318 1.407 2.536 36.072 1.00 70.12 H new ATOM 0 HE21 GLN A 318 -0.123 3.400 37.557 1.00 61.21 H new ATOM 0 HE22 GLN A 318 -0.052 5.094 38.054 1.00 61.21 H new ATOM 516 N ASP A 319 5.018 0.100 38.769 1.00 4.23 N ATOM 517 CA ASP A 319 5.889 -0.288 39.873 1.00 11.31 C ATOM 518 C ASP A 319 7.330 -0.447 39.399 1.00 40.33 C ATOM 519 O ASP A 319 8.268 -0.042 40.085 1.00 30.41 O ATOM 520 CB ASP A 319 5.399 -1.593 40.503 1.00 41.33 C ATOM 521 CG ASP A 319 5.540 -1.596 42.012 1.00 22.01 C ATOM 522 OD1 ASP A 319 5.298 -0.540 42.633 1.00 13.14 O ATOM 523 OD2 ASP A 319 5.892 -2.655 42.572 1.00 3.13 O ATOM 0 H ASP A 319 4.317 -0.597 38.520 1.00 4.23 H new ATOM 0 HA ASP A 319 5.858 0.503 40.623 1.00 11.31 H new ATOM 0 HB2 ASP A 319 4.353 -1.751 40.238 1.00 41.33 H new ATOM 0 HB3 ASP A 319 5.962 -2.428 40.087 1.00 41.33 H new ATOM 528 N ALA A 320 7.498 -1.039 38.221 1.00 31.30 N ATOM 529 CA ALA A 320 8.824 -1.251 37.655 1.00 61.14 C ATOM 530 C ALA A 320 9.492 0.076 37.309 1.00 74.34 C ATOM 531 O ALA A 320 10.708 0.221 37.437 1.00 15.42 O ATOM 532 CB ALA A 320 8.736 -2.137 36.421 1.00 72.21 C ATOM 0 H ALA A 320 6.732 -1.380 37.640 1.00 31.30 H new ATOM 0 HA ALA A 320 9.436 -1.751 38.405 1.00 61.14 H new ATOM 0 HB1 ALA A 320 9.734 -2.287 36.009 1.00 72.21 H new ATOM 0 HB2 ALA A 320 8.308 -3.101 36.695 1.00 72.21 H new ATOM 0 HB3 ALA A 320 8.103 -1.658 35.674 1.00 72.21 H new ATOM 538 N ILE A 321 8.689 1.039 36.869 1.00 43.21 N ATOM 539 CA ILE A 321 9.203 2.354 36.505 1.00 23.20 C ATOM 540 C ILE A 321 9.543 3.174 37.745 1.00 63.30 C ATOM 541 O ILE A 321 10.540 3.896 37.770 1.00 32.22 O ATOM 542 CB ILE A 321 8.191 3.136 35.648 1.00 42.35 C ATOM 543 CG1 ILE A 321 7.720 2.282 34.469 1.00 62.02 C ATOM 544 CG2 ILE A 321 8.809 4.436 35.153 1.00 32.13 C ATOM 545 CD1 ILE A 321 8.851 1.762 33.610 1.00 62.35 C ATOM 0 H ILE A 321 7.681 0.934 36.756 1.00 43.21 H new ATOM 0 HA ILE A 321 10.109 2.188 35.922 1.00 23.20 H new ATOM 0 HB ILE A 321 7.326 3.379 36.265 1.00 42.35 H new ATOM 0 HG12 ILE A 321 7.145 1.437 34.849 1.00 62.02 H new ATOM 0 HG13 ILE A 321 7.046 2.873 33.849 1.00 62.02 H new ATOM 0 HG21 ILE A 321 8.081 4.978 34.549 1.00 32.13 H new ATOM 0 HG22 ILE A 321 9.100 5.049 36.006 1.00 32.13 H new ATOM 0 HG23 ILE A 321 9.689 4.214 34.549 1.00 32.13 H new ATOM 0 HD11 ILE A 321 8.443 1.165 32.794 1.00 62.35 H new ATOM 0 HD12 ILE A 321 9.412 2.602 33.200 1.00 62.35 H new ATOM 0 HD13 ILE A 321 9.513 1.144 34.216 1.00 62.35 H new ATOM 557 N SER A 322 8.709 3.056 38.773 1.00 71.41 N ATOM 558 CA SER A 322 8.920 3.787 40.016 1.00 13.35 C ATOM 559 C SER A 322 10.206 3.336 40.701 1.00 30.43 C ATOM 560 O SER A 322 10.889 4.128 41.351 1.00 60.41 O ATOM 561 CB SER A 322 7.730 3.588 40.958 1.00 42.41 C ATOM 562 OG SER A 322 7.800 4.474 42.062 1.00 51.11 O ATOM 0 H SER A 322 7.881 2.461 38.769 1.00 71.41 H new ATOM 0 HA SER A 322 9.010 4.846 39.774 1.00 13.35 H new ATOM 0 HB2 SER A 322 6.800 3.753 40.414 1.00 42.41 H new ATOM 0 HB3 SER A 322 7.713 2.558 41.315 1.00 42.41 H new ATOM 0 HG SER A 322 7.028 4.328 42.648 1.00 51.11 H new ATOM 568 N LYS A 323 10.531 2.056 40.551 1.00 34.13 N ATOM 569 CA LYS A 323 11.735 1.496 41.153 1.00 31.11 C ATOM 570 C LYS A 323 12.932 1.651 40.220 1.00 33.22 C ATOM 571 O LYS A 323 14.074 1.735 40.670 1.00 20.11 O ATOM 572 CB LYS A 323 11.523 0.018 41.487 1.00 71.51 C ATOM 573 CG LYS A 323 11.134 -0.827 40.286 1.00 34.43 C ATOM 574 CD LYS A 323 12.354 -1.419 39.601 1.00 3.23 C ATOM 575 CE LYS A 323 12.678 -2.804 40.139 1.00 64.33 C ATOM 576 NZ LYS A 323 13.103 -3.734 39.056 1.00 41.14 N ATOM 0 H LYS A 323 9.977 1.387 40.017 1.00 34.13 H new ATOM 0 HA LYS A 323 11.940 2.044 42.073 1.00 31.11 H new ATOM 0 HB2 LYS A 323 12.439 -0.383 41.921 1.00 71.51 H new ATOM 0 HB3 LYS A 323 10.746 -0.066 42.247 1.00 71.51 H new ATOM 0 HG2 LYS A 323 10.470 -1.630 40.605 1.00 34.43 H new ATOM 0 HG3 LYS A 323 10.577 -0.216 39.575 1.00 34.43 H new ATOM 0 HD2 LYS A 323 12.177 -1.477 38.527 1.00 3.23 H new ATOM 0 HD3 LYS A 323 13.210 -0.761 39.748 1.00 3.23 H new ATOM 0 HE2 LYS A 323 13.470 -2.728 40.884 1.00 64.33 H new ATOM 0 HE3 LYS A 323 11.802 -3.211 40.645 1.00 64.33 H new ATOM 0 HZ1 LYS A 323 13.315 -4.667 39.463 1.00 41.14 H new ATOM 0 HZ2 LYS A 323 12.338 -3.827 38.358 1.00 41.14 H new ATOM 0 HZ3 LYS A 323 13.953 -3.358 38.590 1.00 41.14 H new ATOM 590 N MET A 324 12.661 1.689 38.920 1.00 64.05 N ATOM 591 CA MET A 324 13.717 1.837 37.924 1.00 32.31 C ATOM 592 C MET A 324 14.249 3.266 37.904 1.00 54.34 C ATOM 593 O MET A 324 13.660 4.166 38.504 1.00 62.04 O ATOM 594 CB MET A 324 13.196 1.454 36.537 1.00 25.23 C ATOM 595 CG MET A 324 13.345 -0.025 36.219 1.00 23.24 C ATOM 596 SD MET A 324 14.944 -0.420 35.485 1.00 71.30 S ATOM 597 CE MET A 324 14.621 -0.064 33.760 1.00 61.45 C ATOM 0 H MET A 324 11.721 1.620 38.531 1.00 64.05 H new ATOM 0 HA MET A 324 14.534 1.168 38.195 1.00 32.31 H new ATOM 0 HB2 MET A 324 12.144 1.729 36.465 1.00 25.23 H new ATOM 0 HB3 MET A 324 13.729 2.035 35.784 1.00 25.23 H new ATOM 0 HG2 MET A 324 13.216 -0.604 37.133 1.00 23.24 H new ATOM 0 HG3 MET A 324 12.551 -0.328 35.536 1.00 23.24 H new ATOM 0 HE1 MET A 324 15.566 0.071 33.233 1.00 61.45 H new ATOM 0 HE2 MET A 324 14.072 -0.893 33.314 1.00 61.45 H new ATOM 0 HE3 MET A 324 14.029 0.848 33.681 1.00 61.45 H new ATOM 607 N ASP A 325 15.364 3.468 37.211 1.00 72.14 N ATOM 608 CA ASP A 325 15.974 4.789 37.112 1.00 63.44 C ATOM 609 C ASP A 325 15.088 5.738 36.312 1.00 50.40 C ATOM 610 O ASP A 325 14.223 5.320 35.542 1.00 23.40 O ATOM 611 CB ASP A 325 17.354 4.688 36.460 1.00 42.53 C ATOM 612 CG ASP A 325 18.465 4.524 37.478 1.00 1.32 C ATOM 613 OD1 ASP A 325 18.290 3.728 38.424 1.00 73.03 O ATOM 614 OD2 ASP A 325 19.510 5.193 37.330 1.00 32.13 O ATOM 0 H ASP A 325 15.864 2.734 36.709 1.00 72.14 H new ATOM 0 HA ASP A 325 16.085 5.188 38.120 1.00 63.44 H new ATOM 0 HB2 ASP A 325 17.367 3.842 35.773 1.00 42.53 H new ATOM 0 HB3 ASP A 325 17.538 5.583 35.866 1.00 42.53 H new ATOM 619 N PRO A 326 15.305 7.049 36.498 1.00 24.21 N ATOM 620 CA PRO A 326 14.536 8.085 35.803 1.00 0.44 C ATOM 621 C PRO A 326 14.856 8.144 34.314 1.00 73.05 C ATOM 622 O PRO A 326 13.958 8.264 33.479 1.00 30.30 O ATOM 623 CB PRO A 326 14.976 9.378 36.496 1.00 71.41 C ATOM 624 CG PRO A 326 16.333 9.077 37.032 1.00 41.23 C ATOM 625 CD PRO A 326 16.319 7.620 37.401 1.00 63.54 C ATOM 0 HA PRO A 326 13.463 7.900 35.856 1.00 0.44 H new ATOM 0 HB2 PRO A 326 15.003 10.213 35.796 1.00 71.41 H new ATOM 0 HB3 PRO A 326 14.287 9.654 37.294 1.00 71.41 H new ATOM 0 HG2 PRO A 326 17.101 9.283 36.287 1.00 41.23 H new ATOM 0 HG3 PRO A 326 16.556 9.697 37.900 1.00 41.23 H new ATOM 0 HD2 PRO A 326 17.295 7.158 37.252 1.00 63.54 H new ATOM 0 HD3 PRO A 326 16.053 7.473 38.448 1.00 63.54 H new ATOM 633 N THR A 327 16.141 8.058 33.985 1.00 41.42 N ATOM 634 CA THR A 327 16.579 8.102 32.596 1.00 43.44 C ATOM 635 C THR A 327 16.106 6.872 31.831 1.00 62.44 C ATOM 636 O THR A 327 15.675 6.971 30.682 1.00 64.25 O ATOM 637 CB THR A 327 18.113 8.198 32.493 1.00 2.21 C ATOM 638 OG1 THR A 327 18.667 8.567 33.761 1.00 31.12 O ATOM 639 CG2 THR A 327 18.523 9.217 31.440 1.00 74.31 C ATOM 0 H THR A 327 16.897 7.957 34.662 1.00 41.42 H new ATOM 0 HA THR A 327 16.136 8.994 32.154 1.00 43.44 H new ATOM 0 HB THR A 327 18.496 7.221 32.199 1.00 2.21 H new ATOM 0 HG1 THR A 327 19.643 8.624 33.688 1.00 31.12 H new ATOM 0 HG21 THR A 327 19.611 9.267 31.386 1.00 74.31 H new ATOM 0 HG22 THR A 327 18.125 8.918 30.470 1.00 74.31 H new ATOM 0 HG23 THR A 327 18.128 10.197 31.708 1.00 74.31 H new ATOM 647 N ASP A 328 16.188 5.713 32.475 1.00 64.22 N ATOM 648 CA ASP A 328 15.767 4.462 31.855 1.00 35.11 C ATOM 649 C ASP A 328 14.259 4.454 31.619 1.00 65.25 C ATOM 650 O ASP A 328 13.784 3.960 30.597 1.00 64.44 O ATOM 651 CB ASP A 328 16.164 3.274 32.732 1.00 30.24 C ATOM 652 CG ASP A 328 17.330 2.494 32.158 1.00 43.24 C ATOM 653 OD1 ASP A 328 18.467 3.010 32.199 1.00 22.24 O ATOM 654 OD2 ASP A 328 17.106 1.368 31.667 1.00 43.22 O ATOM 0 H ASP A 328 16.542 5.614 33.426 1.00 64.22 H new ATOM 0 HA ASP A 328 16.269 4.376 30.891 1.00 35.11 H new ATOM 0 HB2 ASP A 328 16.426 3.633 33.728 1.00 30.24 H new ATOM 0 HB3 ASP A 328 15.308 2.609 32.847 1.00 30.24 H new ATOM 659 N ALA A 329 13.513 5.004 32.571 1.00 62.41 N ATOM 660 CA ALA A 329 12.061 5.061 32.466 1.00 75.52 C ATOM 661 C ALA A 329 11.628 5.963 31.315 1.00 3.44 C ATOM 662 O ALA A 329 10.712 5.632 30.563 1.00 51.32 O ATOM 663 CB ALA A 329 11.455 5.544 33.775 1.00 1.31 C ATOM 0 H ALA A 329 13.891 5.417 33.424 1.00 62.41 H new ATOM 0 HA ALA A 329 11.697 4.054 32.260 1.00 75.52 H new ATOM 0 HB1 ALA A 329 10.370 5.582 33.682 1.00 1.31 H new ATOM 0 HB2 ALA A 329 11.727 4.857 34.577 1.00 1.31 H new ATOM 0 HB3 ALA A 329 11.834 6.540 34.006 1.00 1.31 H new ATOM 669 N LYS A 330 12.293 7.106 31.185 1.00 42.35 N ATOM 670 CA LYS A 330 11.979 8.058 30.126 1.00 72.05 C ATOM 671 C LYS A 330 12.230 7.445 28.751 1.00 12.34 C ATOM 672 O LYS A 330 11.494 7.708 27.800 1.00 14.01 O ATOM 673 CB LYS A 330 12.815 9.329 30.289 1.00 10.23 C ATOM 674 CG LYS A 330 12.540 10.379 29.227 1.00 52.31 C ATOM 675 CD LYS A 330 13.513 11.542 29.327 1.00 51.01 C ATOM 676 CE LYS A 330 14.304 11.719 28.040 1.00 60.01 C ATOM 677 NZ LYS A 330 13.709 12.765 27.162 1.00 31.43 N ATOM 0 H LYS A 330 13.053 7.396 31.800 1.00 42.35 H new ATOM 0 HA LYS A 330 10.922 8.313 30.204 1.00 72.05 H new ATOM 0 HB2 LYS A 330 12.620 9.759 31.272 1.00 10.23 H new ATOM 0 HB3 LYS A 330 13.872 9.064 30.261 1.00 10.23 H new ATOM 0 HG2 LYS A 330 12.614 9.926 28.238 1.00 52.31 H new ATOM 0 HG3 LYS A 330 11.520 10.747 29.334 1.00 52.31 H new ATOM 0 HD2 LYS A 330 12.965 12.458 29.548 1.00 51.01 H new ATOM 0 HD3 LYS A 330 14.199 11.373 30.157 1.00 51.01 H new ATOM 0 HE2 LYS A 330 15.332 11.989 28.280 1.00 60.01 H new ATOM 0 HE3 LYS A 330 14.340 10.771 27.503 1.00 60.01 H new ATOM 0 HZ1 LYS A 330 14.277 12.855 26.296 1.00 31.43 H new ATOM 0 HZ2 LYS A 330 12.736 12.496 26.912 1.00 31.43 H new ATOM 0 HZ3 LYS A 330 13.698 13.675 27.665 1.00 31.43 H new ATOM 691 N TYR A 331 13.272 6.627 28.655 1.00 51.31 N ATOM 692 CA TYR A 331 13.620 5.978 27.397 1.00 71.03 C ATOM 693 C TYR A 331 12.556 4.961 26.996 1.00 71.30 C ATOM 694 O TYR A 331 12.141 4.902 25.838 1.00 14.41 O ATOM 695 CB TYR A 331 14.981 5.290 27.513 1.00 21.00 C ATOM 696 CG TYR A 331 15.161 4.136 26.552 1.00 13.51 C ATOM 697 CD1 TYR A 331 15.376 4.361 25.198 1.00 10.32 C ATOM 698 CD2 TYR A 331 15.116 2.821 26.999 1.00 51.42 C ATOM 699 CE1 TYR A 331 15.540 3.310 24.317 1.00 53.32 C ATOM 700 CE2 TYR A 331 15.280 1.764 26.125 1.00 41.22 C ATOM 701 CZ TYR A 331 15.491 2.014 24.785 1.00 62.32 C ATOM 702 OH TYR A 331 15.655 0.964 23.910 1.00 3.12 O ATOM 0 H TYR A 331 13.890 6.398 29.433 1.00 51.31 H new ATOM 0 HA TYR A 331 13.673 6.745 26.624 1.00 71.03 H new ATOM 0 HB2 TYR A 331 15.766 6.025 27.336 1.00 21.00 H new ATOM 0 HB3 TYR A 331 15.109 4.926 28.532 1.00 21.00 H new ATOM 0 HD1 TYR A 331 15.416 5.375 24.828 1.00 10.32 H new ATOM 0 HD2 TYR A 331 14.950 2.622 28.047 1.00 51.42 H new ATOM 0 HE1 TYR A 331 15.706 3.502 23.267 1.00 53.32 H new ATOM 0 HE2 TYR A 331 15.243 0.748 26.489 1.00 41.22 H new ATOM 0 HH TYR A 331 15.594 0.117 24.400 1.00 3.12 H new ATOM 712 N HIS A 332 12.118 4.160 27.963 1.00 41.14 N ATOM 713 CA HIS A 332 11.101 3.145 27.713 1.00 62.14 C ATOM 714 C HIS A 332 9.768 3.790 27.347 1.00 13.13 C ATOM 715 O HIS A 332 9.099 3.365 26.406 1.00 32.41 O ATOM 716 CB HIS A 332 10.929 2.252 28.941 1.00 21.45 C ATOM 717 CG HIS A 332 9.635 1.498 28.957 1.00 21.45 C ATOM 718 ND1 HIS A 332 9.219 0.696 27.916 1.00 35.51 N ATOM 719 CD2 HIS A 332 8.664 1.426 29.898 1.00 60.44 C ATOM 720 CE1 HIS A 332 8.046 0.164 28.214 1.00 4.22 C ATOM 721 NE2 HIS A 332 7.688 0.591 29.412 1.00 71.13 N ATOM 0 H HIS A 332 12.452 4.195 28.926 1.00 41.14 H new ATOM 0 HA HIS A 332 11.431 2.534 26.873 1.00 62.14 H new ATOM 0 HB2 HIS A 332 11.755 1.541 28.982 1.00 21.45 H new ATOM 0 HB3 HIS A 332 10.993 2.867 29.839 1.00 21.45 H new ATOM 0 HD2 HIS A 332 8.658 1.931 30.853 1.00 60.44 H new ATOM 0 HE1 HIS A 332 7.477 -0.505 27.585 1.00 4.22 H new ATOM 0 HE2 HIS A 332 6.826 0.341 29.897 1.00 71.13 H new ATOM 729 N MET A 333 9.388 4.818 28.099 1.00 53.21 N ATOM 730 CA MET A 333 8.134 5.522 27.853 1.00 22.23 C ATOM 731 C MET A 333 8.164 6.230 26.503 1.00 41.33 C ATOM 732 O MET A 333 7.171 6.241 25.776 1.00 31.11 O ATOM 733 CB MET A 333 7.866 6.535 28.968 1.00 64.11 C ATOM 734 CG MET A 333 7.482 5.894 30.292 1.00 43.41 C ATOM 735 SD MET A 333 7.054 7.110 31.553 1.00 74.21 S ATOM 736 CE MET A 333 7.070 6.090 33.025 1.00 34.03 C ATOM 0 H MET A 333 9.930 5.182 28.883 1.00 53.21 H new ATOM 0 HA MET A 333 7.330 4.786 27.839 1.00 22.23 H new ATOM 0 HB2 MET A 333 8.757 7.146 29.114 1.00 64.11 H new ATOM 0 HB3 MET A 333 7.067 7.206 28.653 1.00 64.11 H new ATOM 0 HG2 MET A 333 6.636 5.225 30.136 1.00 43.41 H new ATOM 0 HG3 MET A 333 8.310 5.282 30.649 1.00 43.41 H new ATOM 0 HE1 MET A 333 6.050 5.950 33.382 1.00 34.03 H new ATOM 0 HE2 MET A 333 7.509 5.120 32.791 1.00 34.03 H new ATOM 0 HE3 MET A 333 7.661 6.578 33.800 1.00 34.03 H new ATOM 746 N GLN A 334 9.309 6.821 26.174 1.00 33.42 N ATOM 747 CA GLN A 334 9.466 7.532 24.911 1.00 32.12 C ATOM 748 C GLN A 334 9.357 6.574 23.730 1.00 62.34 C ATOM 749 O GLN A 334 8.823 6.927 22.678 1.00 1.43 O ATOM 750 CB GLN A 334 10.813 8.256 24.874 1.00 54.24 C ATOM 751 CG GLN A 334 10.793 9.613 25.560 1.00 64.53 C ATOM 752 CD GLN A 334 9.739 10.540 24.990 1.00 53.15 C ATOM 753 OE1 GLN A 334 8.991 11.179 25.731 1.00 44.43 O ATOM 754 NE2 GLN A 334 9.672 10.619 23.666 1.00 64.14 N ATOM 0 H GLN A 334 10.141 6.821 26.765 1.00 33.42 H new ATOM 0 HA GLN A 334 8.664 8.267 24.834 1.00 32.12 H new ATOM 0 HB2 GLN A 334 11.567 7.629 25.350 1.00 54.24 H new ATOM 0 HB3 GLN A 334 11.117 8.387 23.836 1.00 54.24 H new ATOM 0 HG2 GLN A 334 10.611 9.474 26.626 1.00 64.53 H new ATOM 0 HG3 GLN A 334 11.773 10.080 25.462 1.00 64.53 H new ATOM 0 HE21 GLN A 334 10.311 10.072 23.089 1.00 64.14 H new ATOM 0 HE22 GLN A 334 8.981 11.227 23.226 1.00 64.14 H new ATOM 763 N ARG A 335 9.867 5.360 23.910 1.00 64.13 N ATOM 764 CA ARG A 335 9.829 4.351 22.858 1.00 40.23 C ATOM 765 C ARG A 335 8.412 3.818 22.667 1.00 40.20 C ATOM 766 O ARG A 335 7.950 3.646 21.539 1.00 72.45 O ATOM 767 CB ARG A 335 10.778 3.199 23.192 1.00 61.12 C ATOM 768 CG ARG A 335 12.246 3.541 22.992 1.00 75.12 C ATOM 769 CD ARG A 335 12.521 4.005 21.570 1.00 73.52 C ATOM 770 NE ARG A 335 13.951 4.134 21.303 1.00 13.14 N ATOM 771 CZ ARG A 335 14.664 5.207 21.627 1.00 63.22 C ATOM 772 NH1 ARG A 335 14.084 6.237 22.226 1.00 52.42 N ATOM 773 NH2 ARG A 335 15.962 5.250 21.352 1.00 73.14 N ATOM 0 H ARG A 335 10.311 5.051 24.775 1.00 64.13 H new ATOM 0 HA ARG A 335 10.151 4.820 21.928 1.00 40.23 H new ATOM 0 HB2 ARG A 335 10.621 2.899 24.228 1.00 61.12 H new ATOM 0 HB3 ARG A 335 10.526 2.340 22.570 1.00 61.12 H new ATOM 0 HG2 ARG A 335 12.538 4.322 23.694 1.00 75.12 H new ATOM 0 HG3 ARG A 335 12.858 2.667 23.216 1.00 75.12 H new ATOM 0 HD2 ARG A 335 12.083 3.297 20.867 1.00 73.52 H new ATOM 0 HD3 ARG A 335 12.033 4.965 21.401 1.00 73.52 H new ATOM 0 HE ARG A 335 14.428 3.359 20.843 1.00 13.14 H new ATOM 0 HH11 ARG A 335 13.087 6.207 22.440 1.00 52.42 H new ATOM 0 HH12 ARG A 335 14.635 7.059 22.473 1.00 52.42 H new ATOM 0 HH21 ARG A 335 16.412 4.459 20.892 1.00 73.14 H new ATOM 0 HH22 ARG A 335 16.509 6.074 21.601 1.00 73.14 H new ATOM 787 N CYS A 336 7.729 3.559 23.776 1.00 12.23 N ATOM 788 CA CYS A 336 6.365 3.044 23.732 1.00 52.45 C ATOM 789 C CYS A 336 5.419 4.065 23.107 1.00 72.22 C ATOM 790 O CYS A 336 4.448 3.700 22.442 1.00 2.44 O ATOM 791 CB CYS A 336 5.887 2.683 25.139 1.00 44.21 C ATOM 792 SG CYS A 336 5.091 4.046 26.021 1.00 45.20 S ATOM 0 H CYS A 336 8.097 3.697 24.717 1.00 12.23 H new ATOM 0 HA CYS A 336 6.362 2.146 23.114 1.00 52.45 H new ATOM 0 HB2 CYS A 336 5.187 1.851 25.071 1.00 44.21 H new ATOM 0 HB3 CYS A 336 6.739 2.335 25.723 1.00 44.21 H new ATOM 0 HG CYS A 336 5.913 5.050 26.101 1.00 45.20 H new ATOM 798 N ILE A 337 5.708 5.343 23.326 1.00 54.12 N ATOM 799 CA ILE A 337 4.882 6.416 22.785 1.00 62.23 C ATOM 800 C ILE A 337 5.056 6.534 21.274 1.00 12.43 C ATOM 801 O ILE A 337 4.079 6.646 20.534 1.00 52.33 O ATOM 802 CB ILE A 337 5.220 7.770 23.437 1.00 72.52 C ATOM 803 CG1 ILE A 337 4.849 7.752 24.921 1.00 22.32 C ATOM 804 CG2 ILE A 337 4.496 8.899 22.718 1.00 24.42 C ATOM 805 CD1 ILE A 337 5.669 8.707 25.760 1.00 14.31 C ATOM 0 H ILE A 337 6.507 5.661 23.874 1.00 54.12 H new ATOM 0 HA ILE A 337 3.846 6.162 23.011 1.00 62.23 H new ATOM 0 HB ILE A 337 6.293 7.940 23.352 1.00 72.52 H new ATOM 0 HG12 ILE A 337 3.793 8.003 25.026 1.00 22.32 H new ATOM 0 HG13 ILE A 337 4.976 6.741 25.307 1.00 22.32 H new ATOM 0 HG21 ILE A 337 4.745 9.849 23.190 1.00 24.42 H new ATOM 0 HG22 ILE A 337 4.804 8.921 21.673 1.00 24.42 H new ATOM 0 HG23 ILE A 337 3.420 8.736 22.776 1.00 24.42 H new ATOM 0 HD11 ILE A 337 5.352 8.641 26.801 1.00 14.31 H new ATOM 0 HD12 ILE A 337 6.724 8.444 25.685 1.00 14.31 H new ATOM 0 HD13 ILE A 337 5.523 9.725 25.400 1.00 14.31 H new ATOM 817 N ASP A 338 6.305 6.508 20.824 1.00 24.52 N ATOM 818 CA ASP A 338 6.608 6.609 19.401 1.00 12.12 C ATOM 819 C ASP A 338 6.135 5.365 18.655 1.00 11.41 C ATOM 820 O ASP A 338 5.831 5.422 17.463 1.00 3.35 O ATOM 821 CB ASP A 338 8.110 6.805 19.190 1.00 11.31 C ATOM 822 CG ASP A 338 8.648 8.008 19.940 1.00 54.54 C ATOM 823 OD1 ASP A 338 7.831 8.799 20.456 1.00 54.13 O ATOM 824 OD2 ASP A 338 9.885 8.160 20.009 1.00 25.13 O ATOM 0 H ASP A 338 7.125 6.418 21.424 1.00 24.52 H new ATOM 0 HA ASP A 338 6.077 7.474 19.002 1.00 12.12 H new ATOM 0 HB2 ASP A 338 8.640 5.910 19.517 1.00 11.31 H new ATOM 0 HB3 ASP A 338 8.312 6.924 18.126 1.00 11.31 H new ATOM 829 N SER A 339 6.076 4.243 19.364 1.00 31.31 N ATOM 830 CA SER A 339 5.645 2.984 18.768 1.00 73.21 C ATOM 831 C SER A 339 4.153 2.757 18.997 1.00 65.15 C ATOM 832 O SER A 339 3.546 1.880 18.383 1.00 1.50 O ATOM 833 CB SER A 339 6.445 1.818 19.352 1.00 70.01 C ATOM 834 OG SER A 339 5.664 1.073 20.271 1.00 45.40 O ATOM 0 H SER A 339 6.321 4.180 20.352 1.00 31.31 H new ATOM 0 HA SER A 339 5.826 3.038 17.695 1.00 73.21 H new ATOM 0 HB2 SER A 339 6.785 1.167 18.547 1.00 70.01 H new ATOM 0 HB3 SER A 339 7.336 2.198 19.852 1.00 70.01 H new ATOM 0 HG SER A 339 6.197 0.333 20.629 1.00 45.40 H new ATOM 840 N GLY A 340 3.569 3.555 19.885 1.00 22.25 N ATOM 841 CA GLY A 340 2.154 3.426 20.181 1.00 42.03 C ATOM 842 C GLY A 340 1.802 2.066 20.750 1.00 61.25 C ATOM 843 O GLY A 340 0.692 1.570 20.552 1.00 13.41 O ATOM 0 H GLY A 340 4.050 4.289 20.405 1.00 22.25 H new ATOM 0 HA2 GLY A 340 1.863 4.200 20.891 1.00 42.03 H new ATOM 0 HA3 GLY A 340 1.579 3.596 19.271 1.00 42.03 H new