USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=10 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 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 332 HIS : no HD1:sc= -0.707 X(o=-0.71,f=-1.1) USER MOD Set 2.1: A 308 CYS SG : rot 64:sc= -0.929 USER MOD Set 2.2: A 316 MET CE :methyl 173:sc= -0.999 (180deg=-1.23) USER MOD Single : A 298 TYR OH : rot 24:sc= 0.418 USER MOD Single : A 300 SER OG : rot 90:sc= 0.873 USER MOD Single : A 306 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.8!) USER MOD Single : A 307 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 315 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 318 GLN : amide:sc= 0 X(o=0,f=-0.063) 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 327 THR OG1 : rot 180:sc= 0.0763 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 333 MET CE :methyl 160:sc= -0.858 (180deg=-1.91!) USER MOD Single : A 334 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 336 CYS SG : rot 70:sc= 0.597 USER MOD Single : A 339 SER OG : rot -87:sc= 0.49 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 292 9.059 -3.528 14.025 1.00 61.23 N ATOM 78 CA LEU A 292 9.672 -4.020 15.254 1.00 42.32 C ATOM 79 C LEU A 292 8.843 -5.145 15.863 1.00 21.55 C ATOM 80 O LEU A 292 7.613 -5.115 15.824 1.00 30.32 O ATOM 81 CB LEU A 292 9.825 -2.880 16.262 1.00 11.41 C ATOM 82 CG LEU A 292 11.160 -2.134 16.236 1.00 72.25 C ATOM 83 CD1 LEU A 292 12.279 -3.026 16.749 1.00 24.11 C ATOM 84 CD2 LEU A 292 11.469 -1.644 14.828 1.00 12.15 C ATOM 0 HA LEU A 292 10.658 -4.413 15.007 1.00 42.32 H new ATOM 0 HB2 LEU A 292 9.026 -2.159 16.089 1.00 11.41 H new ATOM 0 HB3 LEU A 292 9.678 -3.285 17.263 1.00 11.41 H new ATOM 0 HG LEU A 292 11.084 -1.267 16.893 1.00 72.25 H new ATOM 0 HD11 LEU A 292 13.221 -2.479 16.723 1.00 24.11 H new ATOM 0 HD12 LEU A 292 12.063 -3.328 17.774 1.00 24.11 H new ATOM 0 HD13 LEU A 292 12.356 -3.912 16.118 1.00 24.11 H new ATOM 0 HD21 LEU A 292 12.422 -1.115 14.828 1.00 12.15 H new ATOM 0 HD22 LEU A 292 11.526 -2.496 14.151 1.00 12.15 H new ATOM 0 HD23 LEU A 292 10.680 -0.969 14.496 1.00 12.15 H new ATOM 96 N ASP A 293 9.525 -6.136 16.428 1.00 12.02 N ATOM 97 CA ASP A 293 8.851 -7.270 17.050 1.00 64.42 C ATOM 98 C ASP A 293 8.660 -7.036 18.545 1.00 24.41 C ATOM 99 O ASP A 293 9.371 -6.250 19.171 1.00 42.31 O ATOM 100 CB ASP A 293 9.651 -8.554 16.820 1.00 51.11 C ATOM 101 CG ASP A 293 9.214 -9.292 15.570 1.00 71.12 C ATOM 102 OD1 ASP A 293 8.233 -10.061 15.648 1.00 40.34 O ATOM 103 OD2 ASP A 293 9.853 -9.102 14.514 1.00 45.11 O ATOM 0 H ASP A 293 10.543 -6.177 16.468 1.00 12.02 H new ATOM 0 HA ASP A 293 7.869 -7.375 16.589 1.00 64.42 H new ATOM 0 HB2 ASP A 293 10.710 -8.310 16.742 1.00 51.11 H new ATOM 0 HB3 ASP A 293 9.537 -9.209 17.684 1.00 51.11 H new ATOM 108 N PRO A 294 7.677 -7.734 19.133 1.00 61.13 N ATOM 109 CA PRO A 294 7.369 -7.619 20.561 1.00 2.33 C ATOM 110 C PRO A 294 8.458 -8.226 21.440 1.00 51.42 C ATOM 111 O PRO A 294 8.828 -7.659 22.468 1.00 14.22 O ATOM 112 CB PRO A 294 6.064 -8.405 20.707 1.00 0.05 C ATOM 113 CG PRO A 294 6.080 -9.379 19.580 1.00 1.31 C ATOM 114 CD PRO A 294 6.790 -8.690 18.448 1.00 44.31 C ATOM 0 HA PRO A 294 7.294 -6.579 20.879 1.00 2.33 H new ATOM 0 HB2 PRO A 294 6.014 -8.914 21.669 1.00 0.05 H new ATOM 0 HB3 PRO A 294 5.197 -7.747 20.649 1.00 0.05 H new ATOM 0 HG2 PRO A 294 6.596 -10.296 19.864 1.00 1.31 H new ATOM 0 HG3 PRO A 294 5.067 -9.660 19.292 1.00 1.31 H new ATOM 0 HD2 PRO A 294 7.354 -9.396 17.839 1.00 44.31 H new ATOM 0 HD3 PRO A 294 6.090 -8.184 17.783 1.00 44.31 H new ATOM 122 N VAL A 295 8.969 -9.382 21.028 1.00 55.33 N ATOM 123 CA VAL A 295 10.016 -10.065 21.777 1.00 45.33 C ATOM 124 C VAL A 295 11.309 -9.256 21.775 1.00 21.40 C ATOM 125 O VAL A 295 12.018 -9.199 22.779 1.00 34.34 O ATOM 126 CB VAL A 295 10.298 -11.464 21.198 1.00 23.24 C ATOM 127 CG1 VAL A 295 11.322 -12.198 22.051 1.00 33.44 C ATOM 128 CG2 VAL A 295 9.009 -12.265 21.090 1.00 4.02 C ATOM 0 H VAL A 295 8.674 -9.865 20.179 1.00 55.33 H new ATOM 0 HA VAL A 295 9.657 -10.169 22.801 1.00 45.33 H new ATOM 0 HB VAL A 295 10.712 -11.348 20.196 1.00 23.24 H new ATOM 0 HG11 VAL A 295 11.509 -13.185 21.627 1.00 33.44 H new ATOM 0 HG12 VAL A 295 12.252 -11.630 22.072 1.00 33.44 H new ATOM 0 HG13 VAL A 295 10.940 -12.306 23.066 1.00 33.44 H new ATOM 0 HG21 VAL A 295 9.227 -13.251 20.679 1.00 4.02 H new ATOM 0 HG22 VAL A 295 8.565 -12.374 22.079 1.00 4.02 H new ATOM 0 HG23 VAL A 295 8.311 -11.745 20.434 1.00 4.02 H new ATOM 138 N GLU A 296 11.609 -8.633 20.640 1.00 2.41 N ATOM 139 CA GLU A 296 12.818 -7.827 20.508 1.00 34.33 C ATOM 140 C GLU A 296 12.808 -6.666 21.499 1.00 63.25 C ATOM 141 O GLU A 296 13.810 -6.390 22.158 1.00 24.22 O ATOM 142 CB GLU A 296 12.948 -7.293 19.080 1.00 30.14 C ATOM 143 CG GLU A 296 13.265 -8.368 18.055 1.00 61.42 C ATOM 144 CD GLU A 296 14.739 -8.722 18.017 1.00 43.21 C ATOM 145 OE1 GLU A 296 15.563 -7.811 17.791 1.00 12.31 O ATOM 146 OE2 GLU A 296 15.069 -9.910 18.213 1.00 30.35 O ATOM 0 H GLU A 296 11.033 -8.670 19.799 1.00 2.41 H new ATOM 0 HA GLU A 296 13.675 -8.463 20.729 1.00 34.33 H new ATOM 0 HB2 GLU A 296 12.018 -6.799 18.800 1.00 30.14 H new ATOM 0 HB3 GLU A 296 13.732 -6.536 19.054 1.00 30.14 H new ATOM 0 HG2 GLU A 296 12.686 -9.263 18.282 1.00 61.42 H new ATOM 0 HG3 GLU A 296 12.951 -8.027 17.068 1.00 61.42 H new ATOM 153 N VAL A 297 11.669 -5.989 21.596 1.00 11.34 N ATOM 154 CA VAL A 297 11.528 -4.858 22.506 1.00 54.22 C ATOM 155 C VAL A 297 11.597 -5.310 23.960 1.00 5.10 C ATOM 156 O VAL A 297 12.258 -4.680 24.786 1.00 44.31 O ATOM 157 CB VAL A 297 10.199 -4.114 22.274 1.00 11.02 C ATOM 158 CG1 VAL A 297 10.002 -3.033 23.326 1.00 52.44 C ATOM 159 CG2 VAL A 297 10.158 -3.521 20.874 1.00 74.43 C ATOM 0 H VAL A 297 10.831 -6.203 21.056 1.00 11.34 H new ATOM 0 HA VAL A 297 12.357 -4.181 22.300 1.00 54.22 H new ATOM 0 HB VAL A 297 9.381 -4.829 22.365 1.00 11.02 H new ATOM 0 HG11 VAL A 297 9.058 -2.518 23.146 1.00 52.44 H new ATOM 0 HG12 VAL A 297 9.984 -3.488 24.316 1.00 52.44 H new ATOM 0 HG13 VAL A 297 10.822 -2.317 23.270 1.00 52.44 H new ATOM 0 HG21 VAL A 297 9.212 -2.999 20.727 1.00 74.43 H new ATOM 0 HG22 VAL A 297 10.983 -2.819 20.752 1.00 74.43 H new ATOM 0 HG23 VAL A 297 10.250 -4.320 20.138 1.00 74.43 H new ATOM 169 N TYR A 298 10.912 -6.406 24.267 1.00 41.44 N ATOM 170 CA TYR A 298 10.895 -6.942 25.622 1.00 14.14 C ATOM 171 C TYR A 298 12.301 -7.323 26.076 1.00 75.13 C ATOM 172 O TYR A 298 12.720 -6.985 27.182 1.00 43.33 O ATOM 173 CB TYR A 298 9.974 -8.161 25.699 1.00 12.12 C ATOM 174 CG TYR A 298 9.338 -8.355 27.057 1.00 10.23 C ATOM 175 CD1 TYR A 298 10.096 -8.761 28.149 1.00 14.41 C ATOM 176 CD2 TYR A 298 7.980 -8.133 27.249 1.00 72.34 C ATOM 177 CE1 TYR A 298 9.519 -8.940 29.392 1.00 41.33 C ATOM 178 CE2 TYR A 298 7.395 -8.308 28.488 1.00 61.42 C ATOM 179 CZ TYR A 298 8.169 -8.712 29.556 1.00 13.11 C ATOM 180 OH TYR A 298 7.590 -8.889 30.792 1.00 53.12 O ATOM 0 H TYR A 298 10.361 -6.940 23.595 1.00 41.44 H new ATOM 0 HA TYR A 298 10.516 -6.166 26.287 1.00 14.14 H new ATOM 0 HB2 TYR A 298 9.188 -8.060 24.950 1.00 12.12 H new ATOM 0 HB3 TYR A 298 10.545 -9.054 25.444 1.00 12.12 H new ATOM 0 HD1 TYR A 298 11.154 -8.940 28.024 1.00 14.41 H new ATOM 0 HD2 TYR A 298 7.371 -7.818 26.415 1.00 72.34 H new ATOM 0 HE1 TYR A 298 10.122 -9.257 30.230 1.00 41.33 H new ATOM 0 HE2 TYR A 298 6.338 -8.130 28.620 1.00 61.42 H new ATOM 0 HH TYR A 298 8.272 -8.796 31.489 1.00 53.12 H new ATOM 190 N GLU A 299 13.023 -8.029 25.211 1.00 32.24 N ATOM 191 CA GLU A 299 14.382 -8.457 25.523 1.00 53.14 C ATOM 192 C GLU A 299 15.348 -7.277 25.474 1.00 41.10 C ATOM 193 O GLU A 299 16.436 -7.327 26.048 1.00 34.44 O ATOM 194 CB GLU A 299 14.835 -9.542 24.544 1.00 22.31 C ATOM 195 CG GLU A 299 14.006 -10.813 24.618 1.00 60.40 C ATOM 196 CD GLU A 299 14.852 -12.068 24.523 1.00 60.24 C ATOM 197 OE1 GLU A 299 15.786 -12.218 25.338 1.00 73.40 O ATOM 198 OE2 GLU A 299 14.580 -12.900 23.632 1.00 74.31 O ATOM 0 H GLU A 299 12.690 -8.316 24.291 1.00 32.24 H new ATOM 0 HA GLU A 299 14.385 -8.865 26.534 1.00 53.14 H new ATOM 0 HB2 GLU A 299 14.788 -9.146 23.529 1.00 22.31 H new ATOM 0 HB3 GLU A 299 15.878 -9.787 24.743 1.00 22.31 H new ATOM 0 HG2 GLU A 299 13.449 -10.825 25.555 1.00 60.40 H new ATOM 0 HG3 GLU A 299 13.273 -10.812 23.811 1.00 60.40 H new ATOM 205 N SER A 300 14.943 -6.216 24.784 1.00 52.25 N ATOM 206 CA SER A 300 15.774 -5.024 24.655 1.00 33.44 C ATOM 207 C SER A 300 15.438 -4.008 25.743 1.00 30.51 C ATOM 208 O SER A 300 15.725 -2.818 25.607 1.00 20.34 O ATOM 209 CB SER A 300 15.586 -4.392 23.275 1.00 13.32 C ATOM 210 OG SER A 300 16.221 -5.162 22.270 1.00 22.41 O ATOM 0 H SER A 300 14.044 -6.157 24.305 1.00 52.25 H new ATOM 0 HA SER A 300 16.816 -5.323 24.770 1.00 33.44 H new ATOM 0 HB2 SER A 300 14.522 -4.305 23.053 1.00 13.32 H new ATOM 0 HB3 SER A 300 15.995 -3.382 23.276 1.00 13.32 H new ATOM 0 HG SER A 300 15.591 -5.825 21.919 1.00 22.41 H new ATOM 216 N LEU A 301 14.828 -4.486 26.822 1.00 22.51 N ATOM 217 CA LEU A 301 14.452 -3.621 27.935 1.00 64.31 C ATOM 218 C LEU A 301 15.162 -4.044 29.217 1.00 32.22 C ATOM 219 O LEU A 301 15.634 -5.173 29.351 1.00 33.52 O ATOM 220 CB LEU A 301 12.937 -3.653 28.142 1.00 22.45 C ATOM 221 CG LEU A 301 12.164 -2.435 27.636 1.00 3.03 C ATOM 222 CD1 LEU A 301 12.603 -2.073 26.226 1.00 74.23 C ATOM 223 CD2 LEU A 301 10.666 -2.698 27.680 1.00 1.34 C ATOM 0 H LEU A 301 14.583 -5.468 26.950 1.00 22.51 H new ATOM 0 HA LEU A 301 14.757 -2.603 27.692 1.00 64.31 H new ATOM 0 HB2 LEU A 301 12.542 -4.540 27.647 1.00 22.45 H new ATOM 0 HB3 LEU A 301 12.738 -3.767 29.208 1.00 22.45 H new ATOM 0 HG LEU A 301 12.383 -1.591 28.290 1.00 3.03 H new ATOM 0 HD11 LEU A 301 12.042 -1.204 25.882 1.00 74.23 H new ATOM 0 HD12 LEU A 301 13.668 -1.841 26.225 1.00 74.23 H new ATOM 0 HD13 LEU A 301 12.414 -2.914 25.559 1.00 74.23 H new ATOM 0 HD21 LEU A 301 10.132 -1.820 27.316 1.00 1.34 H new ATOM 0 HD22 LEU A 301 10.428 -3.555 27.049 1.00 1.34 H new ATOM 0 HD23 LEU A 301 10.363 -2.908 28.706 1.00 1.34 H new ATOM 235 N PRO A 302 15.238 -3.118 30.185 1.00 62.24 N ATOM 236 CA PRO A 302 15.886 -3.373 31.475 1.00 51.22 C ATOM 237 C PRO A 302 15.095 -4.350 32.338 1.00 70.25 C ATOM 238 O PRO A 302 13.875 -4.456 32.212 1.00 45.11 O ATOM 239 CB PRO A 302 15.925 -1.990 32.131 1.00 34.51 C ATOM 240 CG PRO A 302 14.799 -1.242 31.505 1.00 61.04 C ATOM 241 CD PRO A 302 14.698 -1.751 30.093 1.00 33.55 C ATOM 0 HA PRO A 302 16.868 -3.831 31.355 1.00 51.22 H new ATOM 0 HB2 PRO A 302 15.801 -2.061 33.212 1.00 34.51 H new ATOM 0 HB3 PRO A 302 16.879 -1.493 31.951 1.00 34.51 H new ATOM 0 HG2 PRO A 302 13.869 -1.410 32.048 1.00 61.04 H new ATOM 0 HG3 PRO A 302 14.987 -0.168 31.520 1.00 61.04 H new ATOM 0 HD2 PRO A 302 13.668 -1.749 29.738 1.00 33.55 H new ATOM 0 HD3 PRO A 302 15.275 -1.136 29.402 1.00 33.55 H new ATOM 249 N GLU A 303 15.798 -5.062 33.213 1.00 14.13 N ATOM 250 CA GLU A 303 15.159 -6.031 34.096 1.00 2.04 C ATOM 251 C GLU A 303 13.912 -5.437 34.744 1.00 34.42 C ATOM 252 O GLU A 303 12.917 -6.132 34.951 1.00 63.32 O ATOM 253 CB GLU A 303 16.139 -6.491 35.178 1.00 72.41 C ATOM 254 CG GLU A 303 17.335 -7.252 34.631 1.00 5.24 C ATOM 255 CD GLU A 303 18.301 -7.681 35.719 1.00 14.35 C ATOM 256 OE1 GLU A 303 18.416 -6.957 36.730 1.00 0.42 O ATOM 257 OE2 GLU A 303 18.941 -8.741 35.560 1.00 75.33 O ATOM 0 H GLU A 303 16.809 -4.986 33.329 1.00 14.13 H new ATOM 0 HA GLU A 303 14.861 -6.891 33.496 1.00 2.04 H new ATOM 0 HB2 GLU A 303 16.494 -5.620 35.729 1.00 72.41 H new ATOM 0 HB3 GLU A 303 15.610 -7.125 35.890 1.00 72.41 H new ATOM 0 HG2 GLU A 303 16.985 -8.133 34.093 1.00 5.24 H new ATOM 0 HG3 GLU A 303 17.860 -6.626 33.910 1.00 5.24 H new ATOM 264 N GLU A 304 13.973 -4.148 35.062 1.00 24.24 N ATOM 265 CA GLU A 304 12.849 -3.462 35.688 1.00 3.30 C ATOM 266 C GLU A 304 11.643 -3.431 34.754 1.00 12.51 C ATOM 267 O GLU A 304 10.512 -3.679 35.174 1.00 72.32 O ATOM 268 CB GLU A 304 13.245 -2.035 36.075 1.00 24.31 C ATOM 269 CG GLU A 304 14.173 -1.966 37.276 1.00 22.14 C ATOM 270 CD GLU A 304 15.255 -0.916 37.118 1.00 3.30 C ATOM 271 OE1 GLU A 304 14.973 0.142 36.517 1.00 21.21 O ATOM 272 OE2 GLU A 304 16.385 -1.152 37.596 1.00 51.12 O ATOM 0 H GLU A 304 14.788 -3.558 34.897 1.00 24.24 H new ATOM 0 HA GLU A 304 12.576 -4.012 36.588 1.00 3.30 H new ATOM 0 HB2 GLU A 304 13.730 -1.558 35.224 1.00 24.31 H new ATOM 0 HB3 GLU A 304 12.343 -1.462 36.290 1.00 24.31 H new ATOM 0 HG2 GLU A 304 13.589 -1.748 38.170 1.00 22.14 H new ATOM 0 HG3 GLU A 304 14.637 -2.940 37.428 1.00 22.14 H new ATOM 279 N LEU A 305 11.892 -3.123 33.486 1.00 13.31 N ATOM 280 CA LEU A 305 10.827 -3.058 32.491 1.00 13.02 C ATOM 281 C LEU A 305 10.201 -4.432 32.274 1.00 53.25 C ATOM 282 O LEU A 305 8.978 -4.568 32.239 1.00 61.11 O ATOM 283 CB LEU A 305 11.371 -2.517 31.168 1.00 75.23 C ATOM 284 CG LEU A 305 10.986 -1.078 30.822 1.00 75.44 C ATOM 285 CD1 LEU A 305 9.519 -0.998 30.427 1.00 60.40 C ATOM 286 CD2 LEU A 305 11.276 -0.152 31.994 1.00 74.14 C ATOM 0 H LEU A 305 12.822 -2.914 33.122 1.00 13.31 H new ATOM 0 HA LEU A 305 10.056 -2.383 32.862 1.00 13.02 H new ATOM 0 HB2 LEU A 305 12.459 -2.586 31.190 1.00 75.23 H new ATOM 0 HB3 LEU A 305 11.027 -3.167 30.364 1.00 75.23 H new ATOM 0 HG LEU A 305 11.588 -0.755 29.972 1.00 75.44 H new ATOM 0 HD11 LEU A 305 9.263 0.033 30.184 1.00 60.40 H new ATOM 0 HD12 LEU A 305 9.341 -1.630 29.557 1.00 60.40 H new ATOM 0 HD13 LEU A 305 8.900 -1.340 31.256 1.00 60.40 H new ATOM 0 HD21 LEU A 305 10.996 0.868 31.730 1.00 74.14 H new ATOM 0 HD22 LEU A 305 10.701 -0.473 32.862 1.00 74.14 H new ATOM 0 HD23 LEU A 305 12.339 -0.186 32.230 1.00 74.14 H new ATOM 298 N GLN A 306 11.047 -5.446 32.130 1.00 63.13 N ATOM 299 CA GLN A 306 10.576 -6.810 31.917 1.00 1.52 C ATOM 300 C GLN A 306 9.748 -7.291 33.104 1.00 3.33 C ATOM 301 O GLN A 306 8.749 -7.990 32.936 1.00 64.43 O ATOM 302 CB GLN A 306 11.760 -7.751 31.691 1.00 60.33 C ATOM 303 CG GLN A 306 12.474 -7.524 30.368 1.00 3.42 C ATOM 304 CD GLN A 306 13.301 -8.719 29.938 1.00 74.43 C ATOM 305 OE1 GLN A 306 13.039 -9.850 30.350 1.00 42.03 O ATOM 306 NE2 GLN A 306 14.305 -8.476 29.104 1.00 1.01 N ATOM 0 H GLN A 306 12.062 -5.350 32.157 1.00 63.13 H new ATOM 0 HA GLN A 306 9.943 -6.815 31.030 1.00 1.52 H new ATOM 0 HB2 GLN A 306 12.473 -7.626 32.505 1.00 60.33 H new ATOM 0 HB3 GLN A 306 11.407 -8.782 31.732 1.00 60.33 H new ATOM 0 HG2 GLN A 306 11.738 -7.300 29.596 1.00 3.42 H new ATOM 0 HG3 GLN A 306 13.121 -6.651 30.454 1.00 3.42 H new ATOM 0 HE21 GLN A 306 14.486 -7.523 28.788 1.00 1.01 H new ATOM 0 HE22 GLN A 306 14.895 -9.242 28.779 1.00 1.01 H new ATOM 315 N LYS A 307 10.170 -6.911 34.306 1.00 61.52 N ATOM 316 CA LYS A 307 9.468 -7.303 35.522 1.00 1.24 C ATOM 317 C LYS A 307 8.142 -6.560 35.648 1.00 10.33 C ATOM 318 O LYS A 307 7.166 -7.097 36.175 1.00 45.52 O ATOM 319 CB LYS A 307 10.339 -7.025 36.750 1.00 71.31 C ATOM 320 CG LYS A 307 9.885 -5.822 37.558 1.00 32.34 C ATOM 321 CD LYS A 307 10.877 -5.483 38.658 1.00 33.13 C ATOM 322 CE LYS A 307 10.834 -4.004 39.011 1.00 72.12 C ATOM 323 NZ LYS A 307 10.645 -3.787 40.472 1.00 71.41 N ATOM 0 H LYS A 307 10.995 -6.332 34.463 1.00 61.52 H new ATOM 0 HA LYS A 307 9.262 -8.372 35.464 1.00 1.24 H new ATOM 0 HB2 LYS A 307 10.338 -7.905 37.393 1.00 71.31 H new ATOM 0 HB3 LYS A 307 11.368 -6.868 36.427 1.00 71.31 H new ATOM 0 HG2 LYS A 307 9.765 -4.963 36.898 1.00 32.34 H new ATOM 0 HG3 LYS A 307 8.908 -6.025 37.997 1.00 32.34 H new ATOM 0 HD2 LYS A 307 10.655 -6.076 39.545 1.00 33.13 H new ATOM 0 HD3 LYS A 307 11.883 -5.753 38.338 1.00 33.13 H new ATOM 0 HE2 LYS A 307 11.760 -3.527 38.690 1.00 72.12 H new ATOM 0 HE3 LYS A 307 10.022 -3.524 38.465 1.00 72.12 H new ATOM 0 HZ1 LYS A 307 10.621 -2.767 40.671 1.00 71.41 H new ATOM 0 HZ2 LYS A 307 9.749 -4.220 40.774 1.00 71.41 H new ATOM 0 HZ3 LYS A 307 11.433 -4.223 40.992 1.00 71.41 H new ATOM 337 N CYS A 308 8.113 -5.324 35.161 1.00 31.32 N ATOM 338 CA CYS A 308 6.905 -4.508 35.219 1.00 45.13 C ATOM 339 C CYS A 308 5.814 -5.088 34.326 1.00 74.40 C ATOM 340 O CYS A 308 4.642 -5.122 34.702 1.00 12.42 O ATOM 341 CB CYS A 308 7.216 -3.071 34.797 1.00 72.01 C ATOM 342 SG CYS A 308 6.044 -1.847 35.428 1.00 60.02 S ATOM 0 H CYS A 308 8.911 -4.865 34.722 1.00 31.32 H new ATOM 0 HA CYS A 308 6.545 -4.508 36.248 1.00 45.13 H new ATOM 0 HB2 CYS A 308 8.217 -2.811 35.141 1.00 72.01 H new ATOM 0 HB3 CYS A 308 7.229 -3.018 33.708 1.00 72.01 H new ATOM 0 HG CYS A 308 6.114 -1.808 36.726 1.00 60.02 H new ATOM 348 N PHE A 309 6.206 -5.544 33.141 1.00 54.34 N ATOM 349 CA PHE A 309 5.260 -6.121 32.192 1.00 11.44 C ATOM 350 C PHE A 309 4.709 -7.446 32.711 1.00 2.33 C ATOM 351 O PHE A 309 3.547 -7.780 32.481 1.00 12.25 O ATOM 352 CB PHE A 309 5.932 -6.332 30.834 1.00 53.41 C ATOM 353 CG PHE A 309 6.047 -5.074 30.021 1.00 63.14 C ATOM 354 CD1 PHE A 309 5.010 -4.156 29.990 1.00 44.42 C ATOM 355 CD2 PHE A 309 7.193 -4.810 29.287 1.00 30.45 C ATOM 356 CE1 PHE A 309 5.114 -2.998 29.242 1.00 60.25 C ATOM 357 CE2 PHE A 309 7.303 -3.654 28.538 1.00 75.43 C ATOM 358 CZ PHE A 309 6.262 -2.747 28.516 1.00 51.44 C ATOM 0 H PHE A 309 7.172 -5.525 32.815 1.00 54.34 H new ATOM 0 HA PHE A 309 4.430 -5.424 32.075 1.00 11.44 H new ATOM 0 HB2 PHE A 309 6.928 -6.746 30.991 1.00 53.41 H new ATOM 0 HB3 PHE A 309 5.365 -7.071 30.268 1.00 53.41 H new ATOM 0 HD1 PHE A 309 4.110 -4.347 30.556 1.00 44.42 H new ATOM 0 HD2 PHE A 309 8.010 -5.516 29.301 1.00 30.45 H new ATOM 0 HE1 PHE A 309 4.298 -2.290 29.225 1.00 60.25 H new ATOM 0 HE2 PHE A 309 8.201 -3.460 27.971 1.00 75.43 H new ATOM 0 HZ PHE A 309 6.345 -1.842 27.932 1.00 51.44 H new ATOM 368 N ASP A 310 5.553 -8.196 33.412 1.00 74.15 N ATOM 369 CA ASP A 310 5.152 -9.485 33.964 1.00 14.31 C ATOM 370 C ASP A 310 4.002 -9.318 34.953 1.00 52.12 C ATOM 371 O ASP A 310 3.092 -10.145 35.008 1.00 31.33 O ATOM 372 CB ASP A 310 6.339 -10.160 34.653 1.00 74.15 C ATOM 373 CG ASP A 310 6.709 -11.480 34.005 1.00 1.10 C ATOM 374 OD1 ASP A 310 6.088 -12.506 34.352 1.00 13.33 O ATOM 375 OD2 ASP A 310 7.621 -11.487 33.152 1.00 61.24 O ATOM 0 H ASP A 310 6.518 -7.934 33.611 1.00 74.15 H new ATOM 0 HA ASP A 310 4.812 -10.115 33.142 1.00 14.31 H new ATOM 0 HB2 ASP A 310 7.199 -9.491 34.626 1.00 74.15 H new ATOM 0 HB3 ASP A 310 6.099 -10.328 35.703 1.00 74.15 H new ATOM 380 N VAL A 311 4.050 -8.243 35.733 1.00 40.31 N ATOM 381 CA VAL A 311 3.013 -7.967 36.720 1.00 72.12 C ATOM 382 C VAL A 311 1.853 -7.198 36.098 1.00 52.03 C ATOM 383 O VAL A 311 1.006 -6.651 36.804 1.00 33.02 O ATOM 384 CB VAL A 311 3.569 -7.162 37.909 1.00 43.31 C ATOM 385 CG1 VAL A 311 4.513 -8.018 38.739 1.00 22.31 C ATOM 386 CG2 VAL A 311 4.270 -5.904 37.419 1.00 51.44 C ATOM 0 H VAL A 311 4.796 -7.549 35.700 1.00 40.31 H new ATOM 0 HA VAL A 311 2.655 -8.931 37.080 1.00 72.12 H new ATOM 0 HB VAL A 311 2.735 -6.863 38.544 1.00 43.31 H new ATOM 0 HG11 VAL A 311 4.896 -7.432 39.575 1.00 22.31 H new ATOM 0 HG12 VAL A 311 3.976 -8.886 39.121 1.00 22.31 H new ATOM 0 HG13 VAL A 311 5.345 -8.350 38.117 1.00 22.31 H new ATOM 0 HG21 VAL A 311 4.657 -5.347 38.272 1.00 51.44 H new ATOM 0 HG22 VAL A 311 5.095 -6.180 36.762 1.00 51.44 H new ATOM 0 HG23 VAL A 311 3.562 -5.283 36.871 1.00 51.44 H new ATOM 396 N LYS A 312 1.820 -7.160 34.770 1.00 73.01 N ATOM 397 CA LYS A 312 0.763 -6.460 34.050 1.00 13.41 C ATOM 398 C LYS A 312 0.326 -5.209 34.806 1.00 1.22 C ATOM 399 O LYS A 312 -0.836 -4.807 34.742 1.00 30.53 O ATOM 400 CB LYS A 312 -0.438 -7.385 33.838 1.00 45.15 C ATOM 401 CG LYS A 312 -1.141 -7.775 35.126 1.00 3.22 C ATOM 402 CD LYS A 312 -2.349 -8.656 34.857 1.00 14.54 C ATOM 403 CE LYS A 312 -3.080 -9.007 36.144 1.00 22.43 C ATOM 404 NZ LYS A 312 -4.408 -9.625 35.877 1.00 13.20 N ATOM 0 H LYS A 312 2.514 -7.606 34.170 1.00 73.01 H new ATOM 0 HA LYS A 312 1.158 -6.158 33.080 1.00 13.41 H new ATOM 0 HB2 LYS A 312 -1.153 -6.893 33.179 1.00 45.15 H new ATOM 0 HB3 LYS A 312 -0.104 -8.289 33.328 1.00 45.15 H new ATOM 0 HG2 LYS A 312 -0.443 -8.302 35.777 1.00 3.22 H new ATOM 0 HG3 LYS A 312 -1.456 -6.876 35.656 1.00 3.22 H new ATOM 0 HD2 LYS A 312 -3.031 -8.143 34.178 1.00 14.54 H new ATOM 0 HD3 LYS A 312 -2.030 -9.571 34.357 1.00 14.54 H new ATOM 0 HE2 LYS A 312 -2.471 -9.694 36.731 1.00 22.43 H new ATOM 0 HE3 LYS A 312 -3.213 -8.106 36.744 1.00 22.43 H new ATOM 0 HZ1 LYS A 312 -4.874 -9.849 36.779 1.00 13.20 H new ATOM 0 HZ2 LYS A 312 -4.999 -8.960 35.338 1.00 13.20 H new ATOM 0 HZ3 LYS A 312 -4.280 -10.498 35.327 1.00 13.20 H new ATOM 418 N ASP A 313 1.265 -4.597 35.520 1.00 54.21 N ATOM 419 CA ASP A 313 0.977 -3.390 36.286 1.00 1.21 C ATOM 420 C ASP A 313 1.322 -2.140 35.482 1.00 64.42 C ATOM 421 O ASP A 313 2.407 -1.576 35.627 1.00 13.21 O ATOM 422 CB ASP A 313 1.758 -3.397 37.601 1.00 12.22 C ATOM 423 CG ASP A 313 1.185 -2.431 38.620 1.00 71.12 C ATOM 424 OD1 ASP A 313 0.356 -1.581 38.232 1.00 71.45 O ATOM 425 OD2 ASP A 313 1.565 -2.526 39.805 1.00 12.45 O ATOM 0 H ASP A 313 2.231 -4.917 35.584 1.00 54.21 H new ATOM 0 HA ASP A 313 -0.090 -3.375 36.506 1.00 1.21 H new ATOM 0 HB2 ASP A 313 1.754 -4.404 38.017 1.00 12.22 H new ATOM 0 HB3 ASP A 313 2.798 -3.138 37.404 1.00 12.22 H new ATOM 430 N VAL A 314 0.393 -1.714 34.632 1.00 23.20 N ATOM 431 CA VAL A 314 0.599 -0.532 33.804 1.00 0.33 C ATOM 432 C VAL A 314 0.866 0.700 34.662 1.00 14.01 C ATOM 433 O VAL A 314 1.696 1.540 34.317 1.00 23.03 O ATOM 434 CB VAL A 314 -0.618 -0.261 32.900 1.00 13.44 C ATOM 435 CG1 VAL A 314 -0.309 0.848 31.906 1.00 1.32 C ATOM 436 CG2 VAL A 314 -1.040 -1.532 32.179 1.00 24.13 C ATOM 0 H VAL A 314 -0.510 -2.170 34.499 1.00 23.20 H new ATOM 0 HA VAL A 314 1.469 -0.731 33.179 1.00 0.33 H new ATOM 0 HB VAL A 314 -1.448 0.066 33.526 1.00 13.44 H new ATOM 0 HG11 VAL A 314 -1.181 1.025 31.276 1.00 1.32 H new ATOM 0 HG12 VAL A 314 -0.060 1.761 32.446 1.00 1.32 H new ATOM 0 HG13 VAL A 314 0.535 0.553 31.283 1.00 1.32 H new ATOM 0 HG21 VAL A 314 -1.901 -1.322 31.545 1.00 24.13 H new ATOM 0 HG22 VAL A 314 -0.216 -1.892 31.564 1.00 24.13 H new ATOM 0 HG23 VAL A 314 -1.306 -2.294 32.911 1.00 24.13 H new ATOM 446 N GLN A 315 0.155 0.800 35.781 1.00 24.01 N ATOM 447 CA GLN A 315 0.316 1.930 36.689 1.00 73.04 C ATOM 448 C GLN A 315 1.764 2.058 37.148 1.00 23.12 C ATOM 449 O GLN A 315 2.310 3.159 37.214 1.00 15.20 O ATOM 450 CB GLN A 315 -0.604 1.772 37.901 1.00 52.44 C ATOM 451 CG GLN A 315 -2.043 1.445 37.534 1.00 63.30 C ATOM 452 CD GLN A 315 -3.041 2.010 38.525 1.00 42.30 C ATOM 453 OE1 GLN A 315 -3.060 1.623 39.694 1.00 50.32 O ATOM 454 NE2 GLN A 315 -3.877 2.932 38.062 1.00 13.14 N ATOM 0 H GLN A 315 -0.537 0.113 36.080 1.00 24.01 H new ATOM 0 HA GLN A 315 0.044 2.838 36.151 1.00 73.04 H new ATOM 0 HB2 GLN A 315 -0.213 0.983 38.543 1.00 52.44 H new ATOM 0 HB3 GLN A 315 -0.587 2.694 38.483 1.00 52.44 H new ATOM 0 HG2 GLN A 315 -2.259 1.840 36.541 1.00 63.30 H new ATOM 0 HG3 GLN A 315 -2.163 0.363 37.480 1.00 63.30 H new ATOM 0 HE21 GLN A 315 -3.826 3.223 37.086 1.00 13.14 H new ATOM 0 HE22 GLN A 315 -4.571 3.349 38.683 1.00 13.14 H new ATOM 463 N MET A 316 2.382 0.925 37.465 1.00 34.52 N ATOM 464 CA MET A 316 3.768 0.911 37.918 1.00 32.40 C ATOM 465 C MET A 316 4.711 1.325 36.793 1.00 23.42 C ATOM 466 O MET A 316 5.716 1.997 37.028 1.00 24.11 O ATOM 467 CB MET A 316 4.145 -0.481 38.430 1.00 5.31 C ATOM 468 CG MET A 316 5.266 -0.467 39.458 1.00 54.34 C ATOM 469 SD MET A 316 6.695 -1.437 38.940 1.00 13.14 S ATOM 470 CE MET A 316 7.636 -0.203 38.046 1.00 73.22 C ATOM 0 H MET A 316 1.945 0.005 37.417 1.00 34.52 H new ATOM 0 HA MET A 316 3.866 1.629 38.733 1.00 32.40 H new ATOM 0 HB2 MET A 316 3.264 -0.948 38.871 1.00 5.31 H new ATOM 0 HB3 MET A 316 4.445 -1.101 37.585 1.00 5.31 H new ATOM 0 HG2 MET A 316 5.576 0.562 39.638 1.00 54.34 H new ATOM 0 HG3 MET A 316 4.891 -0.857 40.404 1.00 54.34 H new ATOM 0 HE1 MET A 316 8.607 -0.615 37.770 1.00 73.22 H new ATOM 0 HE2 MET A 316 7.094 0.085 37.145 1.00 73.22 H new ATOM 0 HE3 MET A 316 7.781 0.673 38.678 1.00 73.22 H new ATOM 480 N LEU A 317 4.382 0.919 35.572 1.00 41.33 N ATOM 481 CA LEU A 317 5.201 1.248 34.410 1.00 54.31 C ATOM 482 C LEU A 317 5.214 2.753 34.162 1.00 42.22 C ATOM 483 O LEU A 317 6.264 3.338 33.896 1.00 0.04 O ATOM 484 CB LEU A 317 4.678 0.520 33.170 1.00 13.23 C ATOM 485 CG LEU A 317 5.415 0.807 31.862 1.00 5.41 C ATOM 486 CD1 LEU A 317 6.822 0.231 31.905 1.00 70.42 C ATOM 487 CD2 LEU A 317 4.642 0.244 30.679 1.00 52.31 C ATOM 0 H LEU A 317 3.554 0.362 35.360 1.00 41.33 H new ATOM 0 HA LEU A 317 6.222 0.922 34.612 1.00 54.31 H new ATOM 0 HB2 LEU A 317 4.719 -0.553 33.359 1.00 13.23 H new ATOM 0 HB3 LEU A 317 3.628 0.780 33.037 1.00 13.23 H new ATOM 0 HG LEU A 317 5.490 1.887 31.739 1.00 5.41 H new ATOM 0 HD11 LEU A 317 7.332 0.445 30.966 1.00 70.42 H new ATOM 0 HD12 LEU A 317 7.375 0.682 32.729 1.00 70.42 H new ATOM 0 HD13 LEU A 317 6.769 -0.848 32.052 1.00 70.42 H new ATOM 0 HD21 LEU A 317 5.182 0.458 29.757 1.00 52.31 H new ATOM 0 HD22 LEU A 317 4.534 -0.834 30.795 1.00 52.31 H new ATOM 0 HD23 LEU A 317 3.655 0.705 30.637 1.00 52.31 H new ATOM 499 N GLN A 318 4.042 3.373 34.252 1.00 1.32 N ATOM 500 CA GLN A 318 3.920 4.811 34.039 1.00 63.51 C ATOM 501 C GLN A 318 4.719 5.585 35.082 1.00 42.32 C ATOM 502 O GLN A 318 5.263 6.652 34.795 1.00 62.31 O ATOM 503 CB GLN A 318 2.451 5.232 34.088 1.00 13.13 C ATOM 504 CG GLN A 318 1.656 4.813 32.862 1.00 41.21 C ATOM 505 CD GLN A 318 0.398 5.638 32.672 1.00 62.31 C ATOM 506 OE1 GLN A 318 0.454 6.865 32.586 1.00 74.24 O ATOM 507 NE2 GLN A 318 -0.746 4.966 32.606 1.00 44.45 N ATOM 0 H GLN A 318 3.164 2.903 34.471 1.00 1.32 H new ATOM 0 HA GLN A 318 4.324 5.043 33.053 1.00 63.51 H new ATOM 0 HB2 GLN A 318 1.988 4.801 34.976 1.00 13.13 H new ATOM 0 HB3 GLN A 318 2.396 6.315 34.194 1.00 13.13 H new ATOM 0 HG2 GLN A 318 2.285 4.907 31.977 1.00 41.21 H new ATOM 0 HG3 GLN A 318 1.386 3.761 32.951 1.00 41.21 H new ATOM 0 HE21 GLN A 318 -0.745 3.949 32.682 1.00 44.45 H new ATOM 0 HE22 GLN A 318 -1.625 5.467 32.479 1.00 44.45 H new ATOM 516 N ASP A 319 4.785 5.042 36.292 1.00 10.34 N ATOM 517 CA ASP A 319 5.518 5.682 37.379 1.00 41.35 C ATOM 518 C ASP A 319 7.016 5.692 37.091 1.00 23.02 C ATOM 519 O ASP A 319 7.701 6.682 37.348 1.00 21.53 O ATOM 520 CB ASP A 319 5.244 4.963 38.700 1.00 3.23 C ATOM 521 CG ASP A 319 4.922 5.925 39.827 1.00 53.12 C ATOM 522 OD1 ASP A 319 3.795 6.462 39.843 1.00 14.22 O ATOM 523 OD2 ASP A 319 5.797 6.142 40.692 1.00 74.45 O ATOM 0 H ASP A 319 4.340 4.160 36.546 1.00 10.34 H new ATOM 0 HA ASP A 319 5.175 6.713 37.459 1.00 41.35 H new ATOM 0 HB2 ASP A 319 4.412 4.271 38.568 1.00 3.23 H new ATOM 0 HB3 ASP A 319 6.114 4.366 38.973 1.00 3.23 H new ATOM 528 N ALA A 320 7.518 4.583 36.558 1.00 45.23 N ATOM 529 CA ALA A 320 8.935 4.464 36.235 1.00 51.52 C ATOM 530 C ALA A 320 9.363 5.537 35.239 1.00 74.03 C ATOM 531 O ALA A 320 10.481 6.049 35.306 1.00 74.24 O ATOM 532 CB ALA A 320 9.236 3.079 35.683 1.00 21.21 C ATOM 0 H ALA A 320 6.965 3.754 36.341 1.00 45.23 H new ATOM 0 HA ALA A 320 9.505 4.609 37.153 1.00 51.52 H new ATOM 0 HB1 ALA A 320 10.297 3.004 35.446 1.00 21.21 H new ATOM 0 HB2 ALA A 320 8.977 2.326 36.427 1.00 21.21 H new ATOM 0 HB3 ALA A 320 8.650 2.912 34.779 1.00 21.21 H new ATOM 538 N ILE A 321 8.467 5.872 34.316 1.00 61.30 N ATOM 539 CA ILE A 321 8.753 6.884 33.307 1.00 72.34 C ATOM 540 C ILE A 321 8.827 8.274 33.928 1.00 42.30 C ATOM 541 O ILE A 321 9.661 9.094 33.542 1.00 33.14 O ATOM 542 CB ILE A 321 7.687 6.887 32.195 1.00 33.21 C ATOM 543 CG1 ILE A 321 7.869 5.674 31.280 1.00 33.24 C ATOM 544 CG2 ILE A 321 7.761 8.178 31.393 1.00 24.42 C ATOM 545 CD1 ILE A 321 6.746 4.666 31.383 1.00 35.21 C ATOM 0 H ILE A 321 7.538 5.457 34.246 1.00 61.30 H new ATOM 0 HA ILE A 321 9.720 6.631 32.872 1.00 72.34 H new ATOM 0 HB ILE A 321 6.702 6.825 32.657 1.00 33.21 H new ATOM 0 HG12 ILE A 321 7.946 6.016 30.248 1.00 33.24 H new ATOM 0 HG13 ILE A 321 8.811 5.183 31.524 1.00 33.24 H new ATOM 0 HG21 ILE A 321 7.002 8.165 30.611 1.00 24.42 H new ATOM 0 HG22 ILE A 321 7.587 9.027 32.054 1.00 24.42 H new ATOM 0 HG23 ILE A 321 8.748 8.268 30.939 1.00 24.42 H new ATOM 0 HD11 ILE A 321 6.941 3.833 30.707 1.00 35.21 H new ATOM 0 HD12 ILE A 321 6.682 4.296 32.406 1.00 35.21 H new ATOM 0 HD13 ILE A 321 5.804 5.142 31.110 1.00 35.21 H new ATOM 557 N SER A 322 7.951 8.533 34.894 1.00 60.35 N ATOM 558 CA SER A 322 7.916 9.825 35.568 1.00 52.10 C ATOM 559 C SER A 322 9.282 10.169 36.154 1.00 14.41 C ATOM 560 O SER A 322 9.622 11.341 36.320 1.00 30.13 O ATOM 561 CB SER A 322 6.860 9.818 36.675 1.00 21.43 C ATOM 562 OG SER A 322 5.810 10.724 36.385 1.00 4.43 O ATOM 0 H SER A 322 7.256 7.865 35.227 1.00 60.35 H new ATOM 0 HA SER A 322 7.654 10.585 34.831 1.00 52.10 H new ATOM 0 HB2 SER A 322 6.455 8.812 36.789 1.00 21.43 H new ATOM 0 HB3 SER A 322 7.323 10.085 37.625 1.00 21.43 H new ATOM 0 HG SER A 322 5.148 10.699 37.107 1.00 4.43 H new ATOM 568 N LYS A 323 10.061 9.140 36.466 1.00 61.40 N ATOM 569 CA LYS A 323 11.391 9.330 37.033 1.00 50.03 C ATOM 570 C LYS A 323 12.439 9.454 35.931 1.00 0.24 C ATOM 571 O LYS A 323 13.412 10.195 36.069 1.00 61.03 O ATOM 572 CB LYS A 323 11.745 8.164 37.959 1.00 51.40 C ATOM 573 CG LYS A 323 10.534 7.500 38.591 1.00 52.14 C ATOM 574 CD LYS A 323 10.922 6.246 39.357 1.00 55.53 C ATOM 575 CE LYS A 323 10.431 6.298 40.795 1.00 13.34 C ATOM 576 NZ LYS A 323 11.324 7.122 41.657 1.00 74.12 N ATOM 0 H LYS A 323 9.794 8.164 36.336 1.00 61.40 H new ATOM 0 HA LYS A 323 11.384 10.255 37.610 1.00 50.03 H new ATOM 0 HB2 LYS A 323 12.304 7.418 37.393 1.00 51.40 H new ATOM 0 HB3 LYS A 323 12.404 8.525 38.748 1.00 51.40 H new ATOM 0 HG2 LYS A 323 10.043 8.202 39.265 1.00 52.14 H new ATOM 0 HG3 LYS A 323 9.812 7.245 37.816 1.00 52.14 H new ATOM 0 HD2 LYS A 323 10.504 5.371 38.860 1.00 55.53 H new ATOM 0 HD3 LYS A 323 12.006 6.132 39.345 1.00 55.53 H new ATOM 0 HE2 LYS A 323 9.422 6.709 40.819 1.00 13.34 H new ATOM 0 HE3 LYS A 323 10.372 5.286 41.196 1.00 13.34 H new ATOM 0 HZ1 LYS A 323 10.955 7.132 42.629 1.00 74.12 H new ATOM 0 HZ2 LYS A 323 12.281 6.715 41.654 1.00 74.12 H new ATOM 0 HZ3 LYS A 323 11.360 8.094 41.290 1.00 74.12 H new ATOM 590 N MET A 324 12.232 8.726 34.839 1.00 24.32 N ATOM 591 CA MET A 324 13.159 8.757 33.713 1.00 12.34 C ATOM 592 C MET A 324 13.009 10.053 32.922 1.00 22.14 C ATOM 593 O MET A 324 12.071 10.820 33.141 1.00 23.11 O ATOM 594 CB MET A 324 12.922 7.556 32.796 1.00 34.13 C ATOM 595 CG MET A 324 13.660 6.302 33.235 1.00 62.34 C ATOM 596 SD MET A 324 15.261 6.120 32.426 1.00 45.31 S ATOM 597 CE MET A 324 15.131 4.452 31.786 1.00 13.42 C ATOM 0 H MET A 324 11.431 8.108 34.709 1.00 24.32 H new ATOM 0 HA MET A 324 14.174 8.708 34.108 1.00 12.34 H new ATOM 0 HB2 MET A 324 11.853 7.344 32.757 1.00 34.13 H new ATOM 0 HB3 MET A 324 13.233 7.815 31.784 1.00 34.13 H new ATOM 0 HG2 MET A 324 13.804 6.329 34.315 1.00 62.34 H new ATOM 0 HG3 MET A 324 13.046 5.428 33.017 1.00 62.34 H new ATOM 0 HE1 MET A 324 16.048 4.193 31.257 1.00 13.42 H new ATOM 0 HE2 MET A 324 14.979 3.756 32.611 1.00 13.42 H new ATOM 0 HE3 MET A 324 14.287 4.391 31.099 1.00 13.42 H new ATOM 607 N ASP A 325 13.939 10.291 32.004 1.00 72.42 N ATOM 608 CA ASP A 325 13.910 11.493 31.180 1.00 54.43 C ATOM 609 C ASP A 325 12.742 11.451 30.198 1.00 5.53 C ATOM 610 O ASP A 325 12.175 10.396 29.915 1.00 11.14 O ATOM 611 CB ASP A 325 15.227 11.648 30.418 1.00 1.04 C ATOM 612 CG ASP A 325 16.094 12.757 30.981 1.00 24.35 C ATOM 613 OD1 ASP A 325 15.967 13.055 32.187 1.00 31.22 O ATOM 614 OD2 ASP A 325 16.900 13.327 30.216 1.00 23.21 O ATOM 0 H ASP A 325 14.723 9.667 31.812 1.00 72.42 H new ATOM 0 HA ASP A 325 13.778 12.351 31.839 1.00 54.43 H new ATOM 0 HB2 ASP A 325 15.777 10.707 30.453 1.00 1.04 H new ATOM 0 HB3 ASP A 325 15.014 11.854 29.369 1.00 1.04 H new ATOM 619 N PRO A 326 12.374 12.626 29.666 1.00 13.33 N ATOM 620 CA PRO A 326 11.271 12.750 28.709 1.00 54.21 C ATOM 621 C PRO A 326 11.605 12.131 27.356 1.00 11.20 C ATOM 622 O PRO A 326 10.777 11.448 26.752 1.00 22.21 O ATOM 623 CB PRO A 326 11.087 14.264 28.574 1.00 72.24 C ATOM 624 CG PRO A 326 12.416 14.839 28.921 1.00 2.40 C ATOM 625 CD PRO A 326 13.006 13.924 29.958 1.00 35.12 C ATOM 0 HA PRO A 326 10.377 12.227 29.048 1.00 54.21 H new ATOM 0 HB2 PRO A 326 10.789 14.538 27.562 1.00 72.24 H new ATOM 0 HB3 PRO A 326 10.310 14.630 29.245 1.00 72.24 H new ATOM 0 HG2 PRO A 326 13.058 14.897 28.042 1.00 2.40 H new ATOM 0 HG3 PRO A 326 12.313 15.853 29.308 1.00 2.40 H new ATOM 0 HD2 PRO A 326 14.092 13.870 29.876 1.00 35.12 H new ATOM 0 HD3 PRO A 326 12.779 14.263 30.969 1.00 35.12 H new ATOM 633 N THR A 327 12.824 12.374 26.884 1.00 11.01 N ATOM 634 CA THR A 327 13.267 11.841 25.602 1.00 4.02 C ATOM 635 C THR A 327 13.399 10.323 25.654 1.00 53.23 C ATOM 636 O THR A 327 13.007 9.625 24.718 1.00 24.34 O ATOM 637 CB THR A 327 14.618 12.448 25.179 1.00 63.24 C ATOM 638 OG1 THR A 327 14.844 13.677 25.877 1.00 14.41 O ATOM 639 CG2 THR A 327 14.653 12.697 23.678 1.00 11.34 C ATOM 0 H THR A 327 13.522 12.937 27.371 1.00 11.01 H new ATOM 0 HA THR A 327 12.509 12.112 24.867 1.00 4.02 H new ATOM 0 HB THR A 327 15.405 11.738 25.432 1.00 63.24 H new ATOM 0 HG1 THR A 327 15.706 14.055 25.603 1.00 14.41 H new ATOM 0 HG21 THR A 327 15.617 13.126 23.403 1.00 11.34 H new ATOM 0 HG22 THR A 327 14.511 11.754 23.149 1.00 11.34 H new ATOM 0 HG23 THR A 327 13.857 13.389 23.405 1.00 11.34 H new ATOM 647 N ASP A 328 13.951 9.819 26.752 1.00 71.24 N ATOM 648 CA ASP A 328 14.132 8.382 26.926 1.00 41.34 C ATOM 649 C ASP A 328 12.786 7.676 27.053 1.00 51.25 C ATOM 650 O ASP A 328 12.601 6.574 26.537 1.00 52.44 O ATOM 651 CB ASP A 328 14.988 8.101 28.161 1.00 22.24 C ATOM 652 CG ASP A 328 16.386 7.634 27.804 1.00 53.54 C ATOM 653 OD1 ASP A 328 16.521 6.503 27.292 1.00 42.23 O ATOM 654 OD2 ASP A 328 17.344 8.401 28.035 1.00 52.15 O ATOM 0 H ASP A 328 14.281 10.384 27.535 1.00 71.24 H new ATOM 0 HA ASP A 328 14.642 7.995 26.044 1.00 41.34 H new ATOM 0 HB2 ASP A 328 15.054 9.005 28.767 1.00 22.24 H new ATOM 0 HB3 ASP A 328 14.500 7.342 28.773 1.00 22.24 H new ATOM 659 N ALA A 329 11.850 8.318 27.744 1.00 54.14 N ATOM 660 CA ALA A 329 10.520 7.752 27.938 1.00 44.14 C ATOM 661 C ALA A 329 9.777 7.630 26.612 1.00 51.12 C ATOM 662 O ALA A 329 9.112 6.627 26.351 1.00 41.24 O ATOM 663 CB ALA A 329 9.723 8.601 28.916 1.00 12.41 C ATOM 0 H ALA A 329 11.988 9.230 28.179 1.00 54.14 H new ATOM 0 HA ALA A 329 10.635 6.751 28.353 1.00 44.14 H new ATOM 0 HB1 ALA A 329 8.732 8.167 29.051 1.00 12.41 H new ATOM 0 HB2 ALA A 329 10.240 8.633 29.875 1.00 12.41 H new ATOM 0 HB3 ALA A 329 9.625 9.613 28.523 1.00 12.41 H new ATOM 669 N LYS A 330 9.893 8.658 25.777 1.00 35.52 N ATOM 670 CA LYS A 330 9.232 8.666 24.477 1.00 0.14 C ATOM 671 C LYS A 330 9.752 7.535 23.595 1.00 12.44 C ATOM 672 O LYS A 330 8.999 6.941 22.824 1.00 72.31 O ATOM 673 CB LYS A 330 9.449 10.011 23.781 1.00 41.41 C ATOM 674 CG LYS A 330 8.919 10.052 22.358 1.00 1.21 C ATOM 675 CD LYS A 330 9.286 11.353 21.664 1.00 53.04 C ATOM 676 CE LYS A 330 10.057 11.100 20.377 1.00 34.11 C ATOM 677 NZ LYS A 330 10.244 12.349 19.588 1.00 23.11 N ATOM 0 H LYS A 330 10.439 9.496 25.978 1.00 35.52 H new ATOM 0 HA LYS A 330 8.165 8.515 24.639 1.00 0.14 H new ATOM 0 HB2 LYS A 330 8.964 10.794 24.363 1.00 41.41 H new ATOM 0 HB3 LYS A 330 10.515 10.237 23.769 1.00 41.41 H new ATOM 0 HG2 LYS A 330 9.323 9.211 21.794 1.00 1.21 H new ATOM 0 HG3 LYS A 330 7.835 9.937 22.369 1.00 1.21 H new ATOM 0 HD2 LYS A 330 8.380 11.916 21.442 1.00 53.04 H new ATOM 0 HD3 LYS A 330 9.887 11.967 22.335 1.00 53.04 H new ATOM 0 HE2 LYS A 330 11.031 10.672 20.615 1.00 34.11 H new ATOM 0 HE3 LYS A 330 9.525 10.365 19.773 1.00 34.11 H new ATOM 0 HZ1 LYS A 330 10.773 12.135 18.719 1.00 23.11 H new ATOM 0 HZ2 LYS A 330 9.315 12.745 19.339 1.00 23.11 H new ATOM 0 HZ3 LYS A 330 10.774 13.041 20.155 1.00 23.11 H new ATOM 691 N TYR A 331 11.042 7.243 23.716 1.00 71.22 N ATOM 692 CA TYR A 331 11.662 6.184 22.929 1.00 61.34 C ATOM 693 C TYR A 331 11.155 4.813 23.365 1.00 61.41 C ATOM 694 O TYR A 331 10.841 3.960 22.533 1.00 14.44 O ATOM 695 CB TYR A 331 13.185 6.244 23.064 1.00 35.31 C ATOM 696 CG TYR A 331 13.872 4.934 22.751 1.00 44.25 C ATOM 697 CD1 TYR A 331 13.939 4.456 21.448 1.00 73.02 C ATOM 698 CD2 TYR A 331 14.457 4.176 23.757 1.00 20.33 C ATOM 699 CE1 TYR A 331 14.565 3.260 21.157 1.00 24.20 C ATOM 700 CE2 TYR A 331 15.087 2.979 23.476 1.00 62.04 C ATOM 701 CZ TYR A 331 15.138 2.525 22.174 1.00 3.11 C ATOM 702 OH TYR A 331 15.765 1.334 21.888 1.00 31.34 O ATOM 0 H TYR A 331 11.678 7.725 24.351 1.00 71.22 H new ATOM 0 HA TYR A 331 11.390 6.336 21.884 1.00 61.34 H new ATOM 0 HB2 TYR A 331 13.570 7.015 22.397 1.00 35.31 H new ATOM 0 HB3 TYR A 331 13.440 6.545 24.080 1.00 35.31 H new ATOM 0 HD1 TYR A 331 13.494 5.030 20.649 1.00 73.02 H new ATOM 0 HD2 TYR A 331 14.419 4.529 24.777 1.00 20.33 H new ATOM 0 HE1 TYR A 331 14.606 2.902 20.139 1.00 24.20 H new ATOM 0 HE2 TYR A 331 15.537 2.402 24.271 1.00 62.04 H new ATOM 0 HH TYR A 331 16.116 0.942 22.715 1.00 31.34 H new ATOM 712 N HIS A 332 11.078 4.607 24.676 1.00 52.11 N ATOM 713 CA HIS A 332 10.608 3.340 25.225 1.00 53.12 C ATOM 714 C HIS A 332 9.148 3.095 24.853 1.00 2.35 C ATOM 715 O HIS A 332 8.779 1.996 24.443 1.00 75.31 O ATOM 716 CB HIS A 332 10.768 3.328 26.745 1.00 22.13 C ATOM 717 CG HIS A 332 12.172 3.582 27.201 1.00 11.25 C ATOM 718 ND1 HIS A 332 13.279 3.121 26.521 1.00 4.35 N ATOM 719 CD2 HIS A 332 12.645 4.256 28.276 1.00 63.21 C ATOM 720 CE1 HIS A 332 14.373 3.499 27.159 1.00 62.22 C ATOM 721 NE2 HIS A 332 14.016 4.189 28.227 1.00 50.13 N ATOM 0 H HIS A 332 11.335 5.301 25.378 1.00 52.11 H new ATOM 0 HA HIS A 332 11.213 2.540 24.797 1.00 53.12 H new ATOM 0 HB2 HIS A 332 10.112 4.084 27.177 1.00 22.13 H new ATOM 0 HB3 HIS A 332 10.439 2.363 27.129 1.00 22.13 H new ATOM 0 HD2 HIS A 332 12.054 4.753 29.031 1.00 63.21 H new ATOM 0 HE1 HIS A 332 15.387 3.281 26.858 1.00 62.22 H new ATOM 0 HE2 HIS A 332 14.655 4.605 28.905 1.00 50.13 H new ATOM 729 N MET A 333 8.324 4.127 25.002 1.00 51.24 N ATOM 730 CA MET A 333 6.905 4.023 24.681 1.00 10.32 C ATOM 731 C MET A 333 6.701 3.789 23.188 1.00 74.32 C ATOM 732 O MET A 333 5.809 3.042 22.785 1.00 42.22 O ATOM 733 CB MET A 333 6.168 5.292 25.116 1.00 60.35 C ATOM 734 CG MET A 333 6.172 5.512 26.620 1.00 71.15 C ATOM 735 SD MET A 333 5.258 4.239 27.510 1.00 34.53 S ATOM 736 CE MET A 333 6.602 3.271 28.193 1.00 52.41 C ATOM 0 H MET A 333 8.614 5.044 25.343 1.00 51.24 H new ATOM 0 HA MET A 333 6.497 3.170 25.223 1.00 10.32 H new ATOM 0 HB2 MET A 333 6.626 6.153 24.630 1.00 60.35 H new ATOM 0 HB3 MET A 333 5.137 5.241 24.767 1.00 60.35 H new ATOM 0 HG2 MET A 333 7.201 5.532 26.978 1.00 71.15 H new ATOM 0 HG3 MET A 333 5.739 6.487 26.842 1.00 71.15 H new ATOM 0 HE1 MET A 333 6.236 2.682 29.034 1.00 52.41 H new ATOM 0 HE2 MET A 333 6.996 2.603 27.427 1.00 52.41 H new ATOM 0 HE3 MET A 333 7.394 3.938 28.534 1.00 52.41 H new ATOM 746 N GLN A 334 7.532 4.431 22.373 1.00 34.12 N ATOM 747 CA GLN A 334 7.440 4.292 20.925 1.00 70.13 C ATOM 748 C GLN A 334 7.754 2.863 20.494 1.00 24.00 C ATOM 749 O GLN A 334 7.176 2.352 19.535 1.00 43.14 O ATOM 750 CB GLN A 334 8.397 5.267 20.236 1.00 34.21 C ATOM 751 CG GLN A 334 7.859 6.686 20.148 1.00 44.22 C ATOM 752 CD GLN A 334 7.288 7.010 18.782 1.00 40.05 C ATOM 753 OE1 GLN A 334 7.795 7.882 18.075 1.00 73.23 O ATOM 754 NE2 GLN A 334 6.227 6.308 18.402 1.00 70.24 N ATOM 0 H GLN A 334 8.276 5.052 22.691 1.00 34.12 H new ATOM 0 HA GLN A 334 6.418 4.525 20.627 1.00 70.13 H new ATOM 0 HB2 GLN A 334 9.343 5.279 20.777 1.00 34.21 H new ATOM 0 HB3 GLN A 334 8.610 4.905 19.230 1.00 34.21 H new ATOM 0 HG2 GLN A 334 7.085 6.825 20.903 1.00 44.22 H new ATOM 0 HG3 GLN A 334 8.659 7.389 20.379 1.00 44.22 H new ATOM 0 HE21 GLN A 334 5.839 5.595 19.020 1.00 70.24 H new ATOM 0 HE22 GLN A 334 5.800 6.482 17.492 1.00 70.24 H new ATOM 763 N ARG A 335 8.674 2.223 21.209 1.00 0.52 N ATOM 764 CA ARG A 335 9.066 0.854 20.900 1.00 63.13 C ATOM 765 C ARG A 335 7.935 -0.120 21.215 1.00 20.23 C ATOM 766 O ARG A 335 7.662 -1.041 20.444 1.00 51.30 O ATOM 767 CB ARG A 335 10.320 0.469 21.688 1.00 14.21 C ATOM 768 CG ARG A 335 11.591 1.119 21.166 1.00 32.12 C ATOM 769 CD ARG A 335 11.808 0.813 19.693 1.00 63.34 C ATOM 770 NE ARG A 335 13.193 1.036 19.286 1.00 50.23 N ATOM 771 CZ ARG A 335 13.574 1.178 18.021 1.00 74.51 C ATOM 772 NH1 ARG A 335 12.678 1.119 17.045 1.00 11.21 N ATOM 773 NH2 ARG A 335 14.853 1.378 17.730 1.00 14.22 N ATOM 0 H ARG A 335 9.162 2.631 22.006 1.00 0.52 H new ATOM 0 HA ARG A 335 9.284 0.798 19.834 1.00 63.13 H new ATOM 0 HB2 ARG A 335 10.182 0.748 22.733 1.00 14.21 H new ATOM 0 HB3 ARG A 335 10.438 -0.614 21.660 1.00 14.21 H new ATOM 0 HG2 ARG A 335 11.535 2.198 21.310 1.00 32.12 H new ATOM 0 HG3 ARG A 335 12.446 0.764 21.742 1.00 32.12 H new ATOM 0 HD2 ARG A 335 11.534 -0.223 19.494 1.00 63.34 H new ATOM 0 HD3 ARG A 335 11.148 1.439 19.092 1.00 63.34 H new ATOM 0 HE ARG A 335 13.907 1.085 20.013 1.00 50.23 H new ATOM 0 HH11 ARG A 335 11.694 0.964 17.265 1.00 11.21 H new ATOM 0 HH12 ARG A 335 12.973 1.228 16.075 1.00 11.21 H new ATOM 0 HH21 ARG A 335 15.545 1.423 18.478 1.00 14.22 H new ATOM 0 HH22 ARG A 335 15.144 1.487 16.758 1.00 14.22 H new ATOM 787 N CYS A 336 7.282 0.089 22.353 1.00 73.32 N ATOM 788 CA CYS A 336 6.181 -0.772 22.771 1.00 14.43 C ATOM 789 C CYS A 336 5.009 -0.666 21.801 1.00 53.31 C ATOM 790 O CYS A 336 4.399 -1.672 21.437 1.00 41.44 O ATOM 791 CB CYS A 336 5.725 -0.401 24.183 1.00 15.22 C ATOM 792 SG CYS A 336 7.024 -0.522 25.434 1.00 2.44 S ATOM 0 H CYS A 336 7.495 0.846 23.002 1.00 73.32 H new ATOM 0 HA CYS A 336 6.537 -1.802 22.770 1.00 14.43 H new ATOM 0 HB2 CYS A 336 5.339 0.618 24.173 1.00 15.22 H new ATOM 0 HB3 CYS A 336 4.898 -1.051 24.469 1.00 15.22 H new ATOM 0 HG CYS A 336 7.897 0.423 25.246 1.00 2.44 H new ATOM 798 N ILE A 337 4.698 0.558 21.388 1.00 44.43 N ATOM 799 CA ILE A 337 3.599 0.795 20.460 1.00 1.23 C ATOM 800 C ILE A 337 3.922 0.248 19.074 1.00 32.10 C ATOM 801 O ILE A 337 3.087 -0.398 18.440 1.00 13.34 O ATOM 802 CB ILE A 337 3.274 2.296 20.344 1.00 12.13 C ATOM 803 CG1 ILE A 337 2.931 2.874 21.719 1.00 21.42 C ATOM 804 CG2 ILE A 337 2.126 2.516 19.370 1.00 33.55 C ATOM 805 CD1 ILE A 337 3.028 4.382 21.782 1.00 21.22 C ATOM 0 H ILE A 337 5.192 1.401 21.681 1.00 44.43 H new ATOM 0 HA ILE A 337 2.730 0.273 20.861 1.00 1.23 H new ATOM 0 HB ILE A 337 4.153 2.814 19.962 1.00 12.13 H new ATOM 0 HG12 ILE A 337 1.919 2.572 21.989 1.00 21.42 H new ATOM 0 HG13 ILE A 337 3.602 2.444 22.463 1.00 21.42 H new ATOM 0 HG21 ILE A 337 1.908 3.582 19.299 1.00 33.55 H new ATOM 0 HG22 ILE A 337 2.405 2.136 18.387 1.00 33.55 H new ATOM 0 HG23 ILE A 337 1.241 1.988 19.725 1.00 33.55 H new ATOM 0 HD11 ILE A 337 2.771 4.721 22.785 1.00 21.22 H new ATOM 0 HD12 ILE A 337 4.046 4.691 21.543 1.00 21.22 H new ATOM 0 HD13 ILE A 337 2.337 4.821 21.063 1.00 21.22 H new ATOM 817 N ASP A 338 5.139 0.509 18.610 1.00 72.32 N ATOM 818 CA ASP A 338 5.574 0.040 17.299 1.00 30.23 C ATOM 819 C ASP A 338 5.701 -1.480 17.281 1.00 61.24 C ATOM 820 O ASP A 338 5.558 -2.112 16.234 1.00 33.31 O ATOM 821 CB ASP A 338 6.911 0.680 16.923 1.00 52.52 C ATOM 822 CG ASP A 338 6.802 2.181 16.739 1.00 42.41 C ATOM 823 OD1 ASP A 338 5.664 2.691 16.674 1.00 75.44 O ATOM 824 OD2 ASP A 338 7.856 2.847 16.661 1.00 33.03 O ATOM 0 H ASP A 338 5.842 1.043 19.122 1.00 72.32 H new ATOM 0 HA ASP A 338 4.821 0.333 16.567 1.00 30.23 H new ATOM 0 HB2 ASP A 338 7.645 0.464 17.699 1.00 52.52 H new ATOM 0 HB3 ASP A 338 7.280 0.230 16.002 1.00 52.52 H new ATOM 829 N SER A 339 5.972 -2.061 18.445 1.00 1.33 N ATOM 830 CA SER A 339 6.124 -3.506 18.562 1.00 74.30 C ATOM 831 C SER A 339 4.828 -4.151 19.046 1.00 42.11 C ATOM 832 O SER A 339 4.737 -5.372 19.169 1.00 3.41 O ATOM 833 CB SER A 339 7.265 -3.845 19.523 1.00 51.22 C ATOM 834 OG SER A 339 6.885 -3.613 20.868 1.00 11.41 O ATOM 0 H SER A 339 6.091 -1.553 19.321 1.00 1.33 H new ATOM 0 HA SER A 339 6.361 -3.902 17.575 1.00 74.30 H new ATOM 0 HB2 SER A 339 7.552 -4.889 19.398 1.00 51.22 H new ATOM 0 HB3 SER A 339 8.140 -3.243 19.280 1.00 51.22 H new ATOM 0 HG SER A 339 7.061 -2.677 21.101 1.00 11.41 H new ATOM 840 N GLY A 340 3.827 -3.320 19.319 1.00 12.11 N ATOM 841 CA GLY A 340 2.550 -3.826 19.787 1.00 55.34 C ATOM 842 C GLY A 340 2.694 -4.756 20.974 1.00 21.43 C ATOM 843 O GLY A 340 1.902 -5.684 21.146 1.00 50.10 O ATOM 0 H GLY A 340 3.878 -2.306 19.224 1.00 12.11 H new ATOM 0 HA2 GLY A 340 1.910 -2.988 20.062 1.00 55.34 H new ATOM 0 HA3 GLY A 340 2.052 -4.354 18.974 1.00 55.34 H new