USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 513 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 374 TYR OH : rot -80:sc= -0.307 USER MOD Set 1.2: A 384 GLN : amide:sc= 0.845 K(o=0.54,f=-2.9!) USER MOD Set 2.1: A 365 THR OG1 : rot -96:sc= 0.554 USER MOD Set 2.2: A 426 ASN :FLIP amide:sc= -0.167 F(o=-0.59,f=0.39) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 180:sc= 0 USER MOD Single : A 381 ASN :FLIP amide:sc= -1.33 F(o=-2.8!,f=-1.3) USER MOD Single : A 386 SER OG : rot -26:sc= 0.0865 USER MOD Single : A 391 ASN :FLIP amide:sc= -0.105 F(o=-2.4,f=-0.11) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN :FLIP amide:sc= -2.04 F(o=-2.7!,f=-2) USER MOD Single : A 398 ASN : amide:sc= 0.78 K(o=0.78,f=-4.8!) USER MOD Single : A 401 LYS NZ :NH3+ -175:sc= 0.119 (180deg=0.116) USER MOD Single : A 402 TYR OH : rot -130:sc= -2.32! USER MOD Single : A 404 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 406 GLN :FLIP amide:sc= -0.421 F(o=-1.9!,f=-0.42) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 413 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.21) USER MOD Single : A 415 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= -0.525 USER MOD Single : A 435 GLN : amide:sc= 0.126 X(o=0.13,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 153:sc= -0.932! (180deg=-2.62!) USER MOD Single : A 437 CYS SG : rot 180:sc= 0 USER MOD Single : A 439 TYR OH : rot -100:sc= 0.439 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl 151:sc= -0.985 (180deg=-2.87) USER MOD Single : A 444 LYS NZ :NH3+ -135:sc= 1.07 (180deg=-0.864) USER MOD Single : A 445 SER OG : rot 180:sc= -0.228 USER MOD ----------------------------------------------------------------- ATOM 131 N THR A 365 8.718 -2.896 -1.292 1.00 33.21 N ATOM 132 CA THR A 365 8.617 -3.359 0.060 1.00 5.43 C ATOM 133 C THR A 365 7.622 -4.499 0.138 1.00 33.13 C ATOM 134 O THR A 365 6.596 -4.470 -0.522 1.00 33.34 O ATOM 135 CB THR A 365 8.197 -2.194 0.982 1.00 21.50 C ATOM 136 OG1 THR A 365 9.194 -1.170 0.928 1.00 14.45 O ATOM 137 CG2 THR A 365 7.996 -2.641 2.427 1.00 64.42 C ATOM 0 HA THR A 365 9.587 -3.727 0.394 1.00 5.43 H new ATOM 0 HB THR A 365 7.239 -1.815 0.625 1.00 21.50 H new ATOM 0 HG1 THR A 365 9.811 -1.274 1.683 1.00 14.45 H new ATOM 0 HG21 THR A 365 7.702 -1.786 3.035 1.00 64.42 H new ATOM 0 HG22 THR A 365 7.216 -3.401 2.468 1.00 64.42 H new ATOM 0 HG23 THR A 365 8.927 -3.056 2.812 1.00 64.42 H new ATOM 143 N LYS A 366 7.936 -5.499 0.923 1.00 71.51 N ATOM 144 CA LYS A 366 7.087 -6.644 1.059 1.00 15.54 C ATOM 145 C LYS A 366 7.093 -7.186 2.473 1.00 44.42 C ATOM 146 O LYS A 366 8.134 -7.209 3.137 1.00 62.55 O ATOM 147 CB LYS A 366 7.456 -7.715 0.059 1.00 54.00 C ATOM 148 CG LYS A 366 8.897 -8.154 0.100 1.00 52.11 C ATOM 149 CD LYS A 366 9.122 -9.279 -0.865 1.00 0.31 C ATOM 150 CE LYS A 366 8.880 -8.867 -2.322 1.00 3.30 C ATOM 151 NZ LYS A 366 9.083 -9.995 -3.260 1.00 55.33 N ATOM 0 H LYS A 366 8.788 -5.537 1.483 1.00 71.51 H new ATOM 0 HA LYS A 366 6.068 -6.321 0.845 1.00 15.54 H new ATOM 0 HB2 LYS A 366 6.822 -8.585 0.230 1.00 54.00 H new ATOM 0 HB3 LYS A 366 7.232 -7.349 -0.943 1.00 54.00 H new ATOM 0 HG2 LYS A 366 9.548 -7.316 -0.149 1.00 52.11 H new ATOM 0 HG3 LYS A 366 9.159 -8.472 1.109 1.00 52.11 H new ATOM 0 HD2 LYS A 366 10.144 -9.643 -0.760 1.00 0.31 H new ATOM 0 HD3 LYS A 366 8.461 -10.107 -0.611 1.00 0.31 H new ATOM 0 HE2 LYS A 366 7.864 -8.487 -2.427 1.00 3.30 H new ATOM 0 HE3 LYS A 366 9.554 -8.052 -2.585 1.00 3.30 H new ATOM 0 HZ1 LYS A 366 8.909 -9.673 -4.233 1.00 55.33 H new ATOM 0 HZ2 LYS A 366 10.060 -10.342 -3.179 1.00 55.33 H new ATOM 0 HZ3 LYS A 366 8.422 -10.764 -3.027 1.00 55.33 H new ATOM 165 N ARG A 367 5.931 -7.609 2.926 1.00 70.02 N ATOM 166 CA ARG A 367 5.751 -8.123 4.266 1.00 3.52 C ATOM 167 C ARG A 367 4.543 -9.054 4.227 1.00 2.03 C ATOM 168 O ARG A 367 3.525 -8.721 3.631 1.00 72.04 O ATOM 169 CB ARG A 367 5.529 -6.920 5.204 1.00 50.15 C ATOM 170 CG ARG A 367 5.601 -7.146 6.724 1.00 70.10 C ATOM 171 CD ARG A 367 4.444 -7.908 7.337 1.00 60.25 C ATOM 172 NE ARG A 367 4.518 -7.842 8.809 1.00 61.43 N ATOM 173 CZ ARG A 367 3.679 -8.430 9.668 1.00 54.31 C ATOM 174 NH1 ARG A 367 2.824 -9.349 9.252 1.00 24.14 N ATOM 175 NH2 ARG A 367 3.751 -8.134 10.956 1.00 32.33 N ATOM 0 H ARG A 367 5.077 -7.605 2.368 1.00 70.02 H new ATOM 0 HA ARG A 367 6.613 -8.681 4.631 1.00 3.52 H new ATOM 0 HB2 ARG A 367 6.267 -6.160 4.947 1.00 50.15 H new ATOM 0 HB3 ARG A 367 4.548 -6.501 4.978 1.00 50.15 H new ATOM 0 HG2 ARG A 367 6.523 -7.682 6.948 1.00 70.10 H new ATOM 0 HG3 ARG A 367 5.670 -6.174 7.213 1.00 70.10 H new ATOM 0 HD2 ARG A 367 3.499 -7.488 6.993 1.00 60.25 H new ATOM 0 HD3 ARG A 367 4.469 -8.947 7.010 1.00 60.25 H new ATOM 0 HE ARG A 367 5.281 -7.296 9.209 1.00 61.43 H new ATOM 0 HH11 ARG A 367 2.800 -9.615 8.268 1.00 24.14 H new ATOM 0 HH12 ARG A 367 2.188 -9.792 9.915 1.00 24.14 H new ATOM 0 HH21 ARG A 367 4.443 -7.462 11.287 1.00 32.33 H new ATOM 0 HH22 ARG A 367 3.114 -8.578 11.618 1.00 32.33 H new ATOM 187 N GLU A 368 4.662 -10.192 4.837 1.00 21.22 N ATOM 188 CA GLU A 368 3.615 -11.210 4.775 1.00 74.21 C ATOM 189 C GLU A 368 2.624 -11.024 5.886 1.00 73.32 C ATOM 190 O GLU A 368 3.002 -10.916 7.052 1.00 14.21 O ATOM 191 CB GLU A 368 4.221 -12.599 4.789 1.00 15.42 C ATOM 192 CG GLU A 368 5.144 -12.838 3.615 1.00 33.15 C ATOM 193 CD GLU A 368 5.818 -14.172 3.650 1.00 60.20 C ATOM 194 OE1 GLU A 368 5.202 -15.176 3.238 1.00 52.24 O ATOM 195 OE2 GLU A 368 6.980 -14.237 4.090 1.00 22.12 O ATOM 0 H GLU A 368 5.475 -10.457 5.393 1.00 21.22 H new ATOM 0 HA GLU A 368 3.074 -11.096 3.835 1.00 74.21 H new ATOM 0 HB2 GLU A 368 4.774 -12.742 5.717 1.00 15.42 H new ATOM 0 HB3 GLU A 368 3.422 -13.341 4.777 1.00 15.42 H new ATOM 0 HG2 GLU A 368 4.573 -12.752 2.690 1.00 33.15 H new ATOM 0 HG3 GLU A 368 5.903 -12.056 3.595 1.00 33.15 H new ATOM 202 N ILE A 369 1.357 -10.969 5.533 1.00 31.43 N ATOM 203 CA ILE A 369 0.318 -10.674 6.473 1.00 73.54 C ATOM 204 C ILE A 369 -0.816 -11.618 6.190 1.00 75.32 C ATOM 205 O ILE A 369 -1.246 -11.722 5.056 1.00 41.14 O ATOM 206 CB ILE A 369 -0.166 -9.213 6.262 1.00 30.32 C ATOM 207 CG1 ILE A 369 1.034 -8.271 6.265 1.00 65.31 C ATOM 208 CG2 ILE A 369 -1.134 -8.806 7.369 1.00 64.31 C ATOM 209 CD1 ILE A 369 0.720 -6.874 5.866 1.00 50.44 C ATOM 0 H ILE A 369 1.027 -11.129 4.581 1.00 31.43 H new ATOM 0 HA ILE A 369 0.674 -10.785 7.497 1.00 73.54 H new ATOM 0 HB ILE A 369 -0.681 -9.151 5.303 1.00 30.32 H new ATOM 0 HG12 ILE A 369 1.470 -8.261 7.264 1.00 65.31 H new ATOM 0 HG13 ILE A 369 1.793 -8.667 5.590 1.00 65.31 H new ATOM 0 HG21 ILE A 369 -1.463 -7.780 7.206 1.00 64.31 H new ATOM 0 HG22 ILE A 369 -1.998 -9.470 7.359 1.00 64.31 H new ATOM 0 HG23 ILE A 369 -0.633 -8.877 8.335 1.00 64.31 H new ATOM 0 HD11 ILE A 369 1.629 -6.274 5.896 1.00 50.44 H new ATOM 0 HD12 ILE A 369 0.314 -6.867 4.855 1.00 50.44 H new ATOM 0 HD13 ILE A 369 -0.014 -6.455 6.555 1.00 50.44 H new ATOM 216 N GLY A 370 -1.253 -12.344 7.184 1.00 2.41 N ATOM 217 CA GLY A 370 -2.339 -13.294 7.002 1.00 23.43 C ATOM 218 C GLY A 370 -1.967 -14.466 6.098 1.00 4.51 C ATOM 219 O GLY A 370 -2.813 -15.298 5.777 1.00 60.32 O ATOM 0 H GLY A 370 -0.879 -12.302 8.132 1.00 2.41 H new ATOM 0 HA2 GLY A 370 -2.645 -13.677 7.975 1.00 23.43 H new ATOM 0 HA3 GLY A 370 -3.199 -12.776 6.579 1.00 23.43 H new ATOM 223 N GLY A 371 -0.708 -14.538 5.694 1.00 5.45 N ATOM 224 CA GLY A 371 -0.277 -15.604 4.848 1.00 32.35 C ATOM 225 C GLY A 371 0.051 -15.153 3.454 1.00 33.33 C ATOM 226 O GLY A 371 0.661 -15.889 2.686 1.00 40.50 O ATOM 0 H GLY A 371 0.019 -13.868 5.945 1.00 5.45 H new ATOM 0 HA2 GLY A 371 0.602 -16.076 5.287 1.00 32.35 H new ATOM 0 HA3 GLY A 371 -1.058 -16.363 4.804 1.00 32.35 H new ATOM 230 N TYR A 372 -0.351 -13.961 3.116 1.00 11.31 N ATOM 231 CA TYR A 372 -0.086 -13.423 1.811 1.00 54.45 C ATOM 232 C TYR A 372 0.931 -12.305 1.905 1.00 62.33 C ATOM 233 O TYR A 372 0.945 -11.554 2.881 1.00 21.13 O ATOM 234 CB TYR A 372 -1.395 -12.970 1.124 1.00 31.24 C ATOM 235 CG TYR A 372 -2.298 -12.126 1.992 1.00 31.33 C ATOM 236 CD1 TYR A 372 -2.025 -10.803 2.224 1.00 41.11 C ATOM 237 CD2 TYR A 372 -3.439 -12.671 2.576 1.00 10.04 C ATOM 238 CE1 TYR A 372 -2.844 -10.040 3.003 1.00 54.01 C ATOM 239 CE2 TYR A 372 -4.268 -11.905 3.363 1.00 72.43 C ATOM 240 CZ TYR A 372 -3.960 -10.586 3.571 1.00 3.11 C ATOM 241 OH TYR A 372 -4.778 -9.805 4.348 1.00 44.42 O ATOM 0 H TYR A 372 -0.869 -13.337 3.734 1.00 11.31 H new ATOM 0 HA TYR A 372 0.342 -14.205 1.184 1.00 54.45 H new ATOM 0 HB2 TYR A 372 -1.143 -12.405 0.227 1.00 31.24 H new ATOM 0 HB3 TYR A 372 -1.945 -13.854 0.800 1.00 31.24 H new ATOM 0 HD1 TYR A 372 -1.146 -10.357 1.782 1.00 41.11 H new ATOM 0 HD2 TYR A 372 -3.677 -13.711 2.409 1.00 10.04 H new ATOM 0 HE1 TYR A 372 -2.609 -8.999 3.172 1.00 54.01 H new ATOM 0 HE2 TYR A 372 -5.150 -12.338 3.811 1.00 72.43 H new ATOM 0 HH TYR A 372 -5.528 -10.343 4.676 1.00 44.42 H new ATOM 251 N THR A 373 1.786 -12.209 0.929 1.00 14.41 N ATOM 252 CA THR A 373 2.800 -11.191 0.936 1.00 22.40 C ATOM 253 C THR A 373 2.241 -9.881 0.412 1.00 55.35 C ATOM 254 O THR A 373 1.752 -9.820 -0.704 1.00 53.22 O ATOM 255 CB THR A 373 4.020 -11.592 0.070 1.00 62.21 C ATOM 256 OG1 THR A 373 4.551 -12.844 0.520 1.00 41.00 O ATOM 257 CG2 THR A 373 5.109 -10.534 0.163 1.00 13.15 C ATOM 0 H THR A 373 1.803 -12.824 0.115 1.00 14.41 H new ATOM 0 HA THR A 373 3.126 -11.073 1.969 1.00 22.40 H new ATOM 0 HB THR A 373 3.689 -11.681 -0.965 1.00 62.21 H new ATOM 0 HG1 THR A 373 5.321 -13.091 -0.034 1.00 41.00 H new ATOM 0 HG21 THR A 373 5.959 -10.832 -0.451 1.00 13.15 H new ATOM 0 HG22 THR A 373 4.721 -9.580 -0.193 1.00 13.15 H new ATOM 0 HG23 THR A 373 5.429 -10.432 1.200 1.00 13.15 H new ATOM 263 N TYR A 374 2.295 -8.859 1.210 1.00 74.24 N ATOM 264 CA TYR A 374 1.918 -7.575 0.753 1.00 54.21 C ATOM 265 C TYR A 374 3.109 -6.881 0.198 1.00 53.34 C ATOM 266 O TYR A 374 4.134 -6.772 0.868 1.00 43.42 O ATOM 267 CB TYR A 374 1.282 -6.748 1.840 1.00 3.25 C ATOM 268 CG TYR A 374 -0.163 -6.557 1.583 1.00 13.32 C ATOM 269 CD1 TYR A 374 -0.566 -5.760 0.527 1.00 32.20 C ATOM 270 CD2 TYR A 374 -1.125 -7.158 2.359 1.00 43.24 C ATOM 271 CE1 TYR A 374 -1.872 -5.564 0.245 1.00 0.11 C ATOM 272 CE2 TYR A 374 -2.469 -6.956 2.077 1.00 13.21 C ATOM 273 CZ TYR A 374 -2.831 -6.163 1.027 1.00 60.20 C ATOM 274 OH TYR A 374 -4.163 -5.984 0.748 1.00 45.21 O ATOM 0 H TYR A 374 2.599 -8.899 2.183 1.00 74.24 H new ATOM 0 HA TYR A 374 1.167 -7.700 -0.027 1.00 54.21 H new ATOM 0 HB2 TYR A 374 1.422 -7.238 2.804 1.00 3.25 H new ATOM 0 HB3 TYR A 374 1.776 -5.778 1.900 1.00 3.25 H new ATOM 0 HD1 TYR A 374 0.183 -5.282 -0.088 1.00 32.20 H new ATOM 0 HD2 TYR A 374 -0.835 -7.787 3.188 1.00 43.24 H new ATOM 0 HE1 TYR A 374 -2.161 -4.941 -0.589 1.00 0.11 H new ATOM 0 HE2 TYR A 374 -3.227 -7.425 2.687 1.00 13.21 H new ATOM 0 HH TYR A 374 -4.457 -5.118 1.099 1.00 45.21 H new ATOM 284 N LYS A 375 2.995 -6.431 -1.017 1.00 35.21 N ATOM 285 CA LYS A 375 4.106 -5.816 -1.685 1.00 74.45 C ATOM 286 C LYS A 375 3.705 -4.461 -2.174 1.00 73.44 C ATOM 287 O LYS A 375 2.728 -4.327 -2.881 1.00 12.50 O ATOM 288 CB LYS A 375 4.570 -6.644 -2.886 1.00 62.12 C ATOM 289 CG LYS A 375 5.901 -6.159 -3.461 1.00 75.14 C ATOM 290 CD LYS A 375 6.253 -6.861 -4.750 1.00 4.13 C ATOM 291 CE LYS A 375 5.380 -6.389 -5.908 1.00 71.41 C ATOM 292 NZ LYS A 375 5.702 -7.103 -7.165 1.00 32.55 N ATOM 0 H LYS A 375 2.139 -6.478 -1.569 1.00 35.21 H new ATOM 0 HA LYS A 375 4.925 -5.746 -0.969 1.00 74.45 H new ATOM 0 HB2 LYS A 375 4.668 -7.687 -2.586 1.00 62.12 H new ATOM 0 HB3 LYS A 375 3.808 -6.606 -3.664 1.00 62.12 H new ATOM 0 HG2 LYS A 375 5.849 -5.084 -3.636 1.00 75.14 H new ATOM 0 HG3 LYS A 375 6.693 -6.325 -2.731 1.00 75.14 H new ATOM 0 HD2 LYS A 375 7.301 -6.680 -4.988 1.00 4.13 H new ATOM 0 HD3 LYS A 375 6.136 -7.937 -4.622 1.00 4.13 H new ATOM 0 HE2 LYS A 375 4.330 -6.546 -5.659 1.00 71.41 H new ATOM 0 HE3 LYS A 375 5.517 -5.317 -6.053 1.00 71.41 H new ATOM 0 HZ1 LYS A 375 5.088 -6.755 -7.929 1.00 32.55 H new ATOM 0 HZ2 LYS A 375 6.697 -6.933 -7.416 1.00 32.55 H new ATOM 0 HZ3 LYS A 375 5.547 -8.123 -7.034 1.00 32.55 H new ATOM 306 N VAL A 376 4.455 -3.490 -1.821 1.00 54.25 N ATOM 307 CA VAL A 376 4.208 -2.154 -2.236 1.00 13.34 C ATOM 308 C VAL A 376 5.439 -1.612 -2.959 1.00 53.14 C ATOM 309 O VAL A 376 6.531 -1.530 -2.386 1.00 2.44 O ATOM 310 CB VAL A 376 3.808 -1.249 -1.014 1.00 30.03 C ATOM 311 CG1 VAL A 376 4.853 -1.292 0.073 1.00 74.50 C ATOM 312 CG2 VAL A 376 3.572 0.187 -1.436 1.00 74.33 C ATOM 0 H VAL A 376 5.275 -3.597 -1.224 1.00 54.25 H new ATOM 0 HA VAL A 376 3.366 -2.142 -2.928 1.00 13.34 H new ATOM 0 HB VAL A 376 2.876 -1.654 -0.619 1.00 30.03 H new ATOM 0 HG11 VAL A 376 4.543 -0.655 0.901 1.00 74.50 H new ATOM 0 HG12 VAL A 376 4.968 -2.317 0.427 1.00 74.50 H new ATOM 0 HG13 VAL A 376 5.804 -0.936 -0.322 1.00 74.50 H new ATOM 0 HG21 VAL A 376 3.298 0.782 -0.565 1.00 74.33 H new ATOM 0 HG22 VAL A 376 4.483 0.590 -1.879 1.00 74.33 H new ATOM 0 HG23 VAL A 376 2.766 0.223 -2.169 1.00 74.33 H new ATOM 318 N VAL A 377 5.294 -1.312 -4.225 1.00 34.34 N ATOM 319 CA VAL A 377 6.372 -0.700 -4.932 1.00 3.44 C ATOM 320 C VAL A 377 6.028 0.751 -5.072 1.00 34.11 C ATOM 321 O VAL A 377 5.053 1.107 -5.749 1.00 3.32 O ATOM 322 CB VAL A 377 6.597 -1.321 -6.327 1.00 71.32 C ATOM 323 CG1 VAL A 377 7.802 -0.675 -7.013 1.00 62.30 C ATOM 324 CG2 VAL A 377 6.790 -2.823 -6.216 1.00 12.14 C ATOM 0 H VAL A 377 4.451 -1.481 -4.774 1.00 34.34 H new ATOM 0 HA VAL A 377 7.298 -0.852 -4.378 1.00 3.44 H new ATOM 0 HB VAL A 377 5.712 -1.132 -6.935 1.00 71.32 H new ATOM 0 HG11 VAL A 377 7.946 -1.125 -7.995 1.00 62.30 H new ATOM 0 HG12 VAL A 377 7.626 0.395 -7.126 1.00 62.30 H new ATOM 0 HG13 VAL A 377 8.694 -0.834 -6.407 1.00 62.30 H new ATOM 0 HG21 VAL A 377 6.947 -3.244 -7.209 1.00 12.14 H new ATOM 0 HG22 VAL A 377 7.658 -3.033 -5.591 1.00 12.14 H new ATOM 0 HG23 VAL A 377 5.903 -3.272 -5.768 1.00 12.14 H new ATOM 330 N PHE A 378 6.828 1.581 -4.463 1.00 11.51 N ATOM 331 CA PHE A 378 6.550 2.996 -4.378 1.00 33.05 C ATOM 332 C PHE A 378 6.520 3.676 -5.727 1.00 21.02 C ATOM 333 O PHE A 378 7.462 3.568 -6.514 1.00 54.04 O ATOM 334 CB PHE A 378 7.495 3.686 -3.416 1.00 41.41 C ATOM 335 CG PHE A 378 7.354 3.224 -1.990 1.00 50.24 C ATOM 336 CD1 PHE A 378 8.088 2.150 -1.512 1.00 63.33 C ATOM 337 CD2 PHE A 378 6.487 3.868 -1.127 1.00 13.35 C ATOM 338 CE1 PHE A 378 7.962 1.732 -0.208 1.00 1.33 C ATOM 339 CE2 PHE A 378 6.358 3.454 0.183 1.00 11.13 C ATOM 340 CZ PHE A 378 7.097 2.386 0.640 1.00 63.23 C ATOM 0 H PHE A 378 7.696 1.298 -4.008 1.00 11.51 H new ATOM 0 HA PHE A 378 5.541 3.090 -3.977 1.00 33.05 H new ATOM 0 HB2 PHE A 378 8.521 3.516 -3.744 1.00 41.41 H new ATOM 0 HB3 PHE A 378 7.321 4.761 -3.459 1.00 41.41 H new ATOM 0 HD1 PHE A 378 8.769 1.634 -2.173 1.00 63.33 H new ATOM 0 HD2 PHE A 378 5.904 4.705 -1.482 1.00 13.35 H new ATOM 0 HE1 PHE A 378 8.540 0.893 0.150 1.00 1.33 H new ATOM 0 HE2 PHE A 378 5.679 3.967 0.848 1.00 11.13 H new ATOM 0 HZ PHE A 378 6.998 2.061 1.665 1.00 63.23 H new ATOM 350 N TYR A 379 5.399 4.374 -5.968 1.00 65.34 N ATOM 351 CA TYR A 379 5.093 5.082 -7.203 1.00 14.13 C ATOM 352 C TYR A 379 4.752 4.148 -8.358 1.00 34.04 C ATOM 353 O TYR A 379 4.562 4.591 -9.482 1.00 14.40 O ATOM 354 CB TYR A 379 6.141 6.142 -7.566 1.00 35.10 C ATOM 355 CG TYR A 379 6.156 7.342 -6.623 1.00 50.23 C ATOM 356 CD1 TYR A 379 6.726 7.262 -5.361 1.00 71.44 C ATOM 357 CD2 TYR A 379 5.609 8.559 -7.011 1.00 70.12 C ATOM 358 CE1 TYR A 379 6.753 8.353 -4.513 1.00 63.04 C ATOM 359 CE2 TYR A 379 5.630 9.658 -6.165 1.00 0.25 C ATOM 360 CZ TYR A 379 6.206 9.546 -4.920 1.00 55.33 C ATOM 361 OH TYR A 379 6.248 10.635 -4.080 1.00 71.43 O ATOM 0 H TYR A 379 4.656 4.459 -5.274 1.00 65.34 H new ATOM 0 HA TYR A 379 4.178 5.640 -7.003 1.00 14.13 H new ATOM 0 HB2 TYR A 379 7.128 5.679 -7.565 1.00 35.10 H new ATOM 0 HB3 TYR A 379 5.954 6.492 -8.581 1.00 35.10 H new ATOM 0 HD1 TYR A 379 7.158 6.328 -5.034 1.00 71.44 H new ATOM 0 HD2 TYR A 379 5.159 8.651 -7.989 1.00 70.12 H new ATOM 0 HE1 TYR A 379 7.202 8.268 -3.535 1.00 63.04 H new ATOM 0 HE2 TYR A 379 5.197 10.596 -6.481 1.00 0.25 H new ATOM 0 HH TYR A 379 5.820 11.401 -4.516 1.00 71.43 H new ATOM 371 N GLU A 380 4.640 2.861 -8.072 1.00 71.12 N ATOM 372 CA GLU A 380 4.213 1.921 -9.081 1.00 54.50 C ATOM 373 C GLU A 380 2.887 1.267 -8.741 1.00 31.10 C ATOM 374 O GLU A 380 1.813 1.744 -9.160 1.00 55.31 O ATOM 375 CB GLU A 380 5.262 0.852 -9.411 1.00 33.40 C ATOM 376 CG GLU A 380 6.493 1.364 -10.123 1.00 20.54 C ATOM 377 CD GLU A 380 7.364 0.242 -10.624 1.00 42.04 C ATOM 378 OE1 GLU A 380 6.904 -0.517 -11.514 1.00 52.24 O ATOM 379 OE2 GLU A 380 8.510 0.086 -10.150 1.00 2.22 O ATOM 0 H GLU A 380 4.838 2.452 -7.159 1.00 71.12 H new ATOM 0 HA GLU A 380 4.079 2.525 -9.978 1.00 54.50 H new ATOM 0 HB2 GLU A 380 5.571 0.369 -8.484 1.00 33.40 H new ATOM 0 HB3 GLU A 380 4.795 0.085 -10.029 1.00 33.40 H new ATOM 0 HG2 GLU A 380 6.192 1.991 -10.962 1.00 20.54 H new ATOM 0 HG3 GLU A 380 7.068 1.994 -9.445 1.00 20.54 H new ATOM 386 N ASN A 381 2.946 0.220 -7.935 1.00 32.54 N ATOM 387 CA ASN A 381 1.780 -0.605 -7.648 1.00 41.41 C ATOM 388 C ASN A 381 1.983 -1.530 -6.450 1.00 4.42 C ATOM 389 O ASN A 381 3.118 -1.820 -6.055 1.00 12.01 O ATOM 390 CB ASN A 381 1.341 -1.401 -8.905 1.00 32.23 C ATOM 391 CG ASN A 381 2.484 -2.117 -9.654 1.00 44.21 C ATOM 392 OD1 ASN A 381 3.537 -2.513 -8.967 1.00 51.54 O flip ATOM 393 ND2 ASN A 381 2.405 -2.299 -10.858 1.00 73.14 N flip ATOM 0 H ASN A 381 3.798 -0.083 -7.462 1.00 32.54 H new ATOM 0 HA ASN A 381 0.976 0.078 -7.373 1.00 41.41 H new ATOM 0 HB2 ASN A 381 0.601 -2.144 -8.606 1.00 32.23 H new ATOM 0 HB3 ASN A 381 0.846 -0.718 -9.595 1.00 32.23 H new ATOM 0 HD21 ASN A 381 1.580 -1.984 -11.368 1.00 73.14 H new ATOM 0 HD22 ASN A 381 3.164 -2.766 -11.354 1.00 73.14 H new ATOM 399 N VAL A 382 0.872 -1.973 -5.888 1.00 13.33 N ATOM 400 CA VAL A 382 0.831 -2.850 -4.718 1.00 74.21 C ATOM 401 C VAL A 382 0.259 -4.201 -5.116 1.00 43.21 C ATOM 402 O VAL A 382 -0.611 -4.273 -5.988 1.00 11.11 O ATOM 403 CB VAL A 382 -0.056 -2.236 -3.582 1.00 43.30 C ATOM 404 CG1 VAL A 382 -0.155 -3.145 -2.361 1.00 53.33 C ATOM 405 CG2 VAL A 382 0.488 -0.910 -3.167 1.00 73.03 C ATOM 0 H VAL A 382 -0.055 -1.729 -6.238 1.00 13.33 H new ATOM 0 HA VAL A 382 1.848 -2.964 -4.344 1.00 74.21 H new ATOM 0 HB VAL A 382 -1.060 -2.121 -3.992 1.00 43.30 H new ATOM 0 HG11 VAL A 382 -0.781 -2.671 -1.605 1.00 53.33 H new ATOM 0 HG12 VAL A 382 -0.596 -4.098 -2.652 1.00 53.33 H new ATOM 0 HG13 VAL A 382 0.841 -3.316 -1.953 1.00 53.33 H new ATOM 0 HG21 VAL A 382 -0.136 -0.492 -2.377 1.00 73.03 H new ATOM 0 HG22 VAL A 382 1.506 -1.034 -2.798 1.00 73.03 H new ATOM 0 HG23 VAL A 382 0.492 -0.234 -4.022 1.00 73.03 H new ATOM 411 N PHE A 383 0.748 -5.247 -4.494 1.00 54.43 N ATOM 412 CA PHE A 383 0.310 -6.598 -4.750 1.00 25.05 C ATOM 413 C PHE A 383 0.063 -7.346 -3.460 1.00 61.03 C ATOM 414 O PHE A 383 0.757 -7.138 -2.467 1.00 24.10 O ATOM 415 CB PHE A 383 1.349 -7.364 -5.593 1.00 2.52 C ATOM 416 CG PHE A 383 1.469 -6.870 -7.000 1.00 11.30 C ATOM 417 CD1 PHE A 383 2.222 -5.758 -7.291 1.00 13.34 C ATOM 418 CD2 PHE A 383 0.817 -7.517 -8.032 1.00 41.24 C ATOM 419 CE1 PHE A 383 2.324 -5.295 -8.567 1.00 15.43 C ATOM 420 CE2 PHE A 383 0.921 -7.053 -9.325 1.00 30.54 C ATOM 421 CZ PHE A 383 1.678 -5.936 -9.590 1.00 23.53 C ATOM 0 H PHE A 383 1.476 -5.182 -3.782 1.00 54.43 H new ATOM 0 HA PHE A 383 -0.625 -6.534 -5.306 1.00 25.05 H new ATOM 0 HB2 PHE A 383 2.322 -7.290 -5.108 1.00 2.52 H new ATOM 0 HB3 PHE A 383 1.081 -8.420 -5.611 1.00 2.52 H new ATOM 0 HD1 PHE A 383 2.741 -5.244 -6.495 1.00 13.34 H new ATOM 0 HD2 PHE A 383 0.221 -8.393 -7.823 1.00 41.24 H new ATOM 0 HE1 PHE A 383 2.918 -4.417 -8.774 1.00 15.43 H new ATOM 0 HE2 PHE A 383 0.410 -7.564 -10.127 1.00 30.54 H new ATOM 0 HZ PHE A 383 1.763 -5.566 -10.601 1.00 23.53 H new ATOM 431 N GLN A 384 -0.934 -8.186 -3.480 1.00 32.41 N ATOM 432 CA GLN A 384 -1.230 -9.076 -2.394 1.00 12.35 C ATOM 433 C GLN A 384 -0.936 -10.464 -2.892 1.00 2.12 C ATOM 434 O GLN A 384 -1.695 -11.008 -3.700 1.00 12.43 O ATOM 435 CB GLN A 384 -2.694 -8.978 -1.985 1.00 34.35 C ATOM 436 CG GLN A 384 -3.072 -9.861 -0.806 1.00 15.34 C ATOM 437 CD GLN A 384 -4.558 -9.846 -0.546 1.00 22.13 C ATOM 438 OE1 GLN A 384 -5.311 -10.640 -1.101 1.00 11.22 O ATOM 439 NE2 GLN A 384 -4.992 -8.954 0.285 1.00 35.25 N ATOM 0 H GLN A 384 -1.576 -8.272 -4.268 1.00 32.41 H new ATOM 0 HA GLN A 384 -0.633 -8.821 -1.519 1.00 12.35 H new ATOM 0 HB2 GLN A 384 -2.921 -7.942 -1.736 1.00 34.35 H new ATOM 0 HB3 GLN A 384 -3.317 -9.245 -2.839 1.00 34.35 H new ATOM 0 HG2 GLN A 384 -2.748 -10.883 -0.999 1.00 15.34 H new ATOM 0 HG3 GLN A 384 -2.544 -9.522 0.085 1.00 15.34 H new ATOM 0 HE21 GLN A 384 -4.338 -8.309 0.729 1.00 35.25 H new ATOM 0 HE22 GLN A 384 -5.988 -8.896 0.496 1.00 35.25 H new ATOM 447 N ASP A 385 0.183 -10.994 -2.461 1.00 35.54 N ATOM 448 CA ASP A 385 0.709 -12.308 -2.874 1.00 65.21 C ATOM 449 C ASP A 385 1.215 -12.224 -4.305 1.00 63.32 C ATOM 450 O ASP A 385 2.419 -12.147 -4.554 1.00 50.51 O ATOM 451 CB ASP A 385 -0.344 -13.426 -2.758 1.00 3.40 C ATOM 452 CG ASP A 385 0.235 -14.802 -3.010 1.00 61.35 C ATOM 453 OD1 ASP A 385 0.345 -15.203 -4.187 1.00 1.43 O ATOM 454 OD2 ASP A 385 0.583 -15.491 -2.038 1.00 2.03 O ATOM 0 H ASP A 385 0.786 -10.520 -1.789 1.00 35.54 H new ATOM 0 HA ASP A 385 1.525 -12.562 -2.198 1.00 65.21 H new ATOM 0 HB2 ASP A 385 -0.788 -13.400 -1.763 1.00 3.40 H new ATOM 0 HB3 ASP A 385 -1.147 -13.238 -3.470 1.00 3.40 H new ATOM 459 N SER A 386 0.288 -12.216 -5.217 1.00 12.02 N ATOM 460 CA SER A 386 0.557 -12.105 -6.619 1.00 32.04 C ATOM 461 C SER A 386 -0.581 -11.290 -7.269 1.00 4.13 C ATOM 462 O SER A 386 -0.513 -10.916 -8.448 1.00 33.15 O ATOM 463 CB SER A 386 0.658 -13.527 -7.235 1.00 12.44 C ATOM 464 OG SER A 386 1.000 -13.504 -8.619 1.00 42.11 O ATOM 0 H SER A 386 -0.706 -12.289 -4.998 1.00 12.02 H new ATOM 0 HA SER A 386 1.503 -11.594 -6.796 1.00 32.04 H new ATOM 0 HB2 SER A 386 1.406 -14.102 -6.690 1.00 12.44 H new ATOM 0 HB3 SER A 386 -0.295 -14.042 -7.109 1.00 12.44 H new ATOM 0 HG SER A 386 0.712 -12.654 -9.013 1.00 42.11 H new ATOM 470 N ILE A 387 -1.608 -10.988 -6.466 1.00 74.21 N ATOM 471 CA ILE A 387 -2.779 -10.266 -6.936 1.00 52.43 C ATOM 472 C ILE A 387 -2.478 -8.784 -6.958 1.00 14.22 C ATOM 473 O ILE A 387 -1.913 -8.258 -6.009 1.00 34.05 O ATOM 474 CB ILE A 387 -3.992 -10.515 -5.991 1.00 42.33 C ATOM 475 CG1 ILE A 387 -4.296 -12.014 -5.902 1.00 42.41 C ATOM 476 CG2 ILE A 387 -5.228 -9.745 -6.465 1.00 20.14 C ATOM 477 CD1 ILE A 387 -5.435 -12.352 -4.964 1.00 35.33 C ATOM 0 H ILE A 387 -1.644 -11.239 -5.478 1.00 74.21 H new ATOM 0 HA ILE A 387 -3.026 -10.620 -7.937 1.00 52.43 H new ATOM 0 HB ILE A 387 -3.730 -10.150 -4.998 1.00 42.33 H new ATOM 0 HG12 ILE A 387 -4.535 -12.386 -6.898 1.00 42.41 H new ATOM 0 HG13 ILE A 387 -3.399 -12.538 -5.573 1.00 42.41 H new ATOM 0 HG21 ILE A 387 -6.059 -9.938 -5.787 1.00 20.14 H new ATOM 0 HG22 ILE A 387 -5.009 -8.677 -6.477 1.00 20.14 H new ATOM 0 HG23 ILE A 387 -5.497 -10.071 -7.470 1.00 20.14 H new ATOM 0 HD11 ILE A 387 -5.590 -13.431 -4.954 1.00 35.33 H new ATOM 0 HD12 ILE A 387 -5.191 -12.011 -3.958 1.00 35.33 H new ATOM 0 HD13 ILE A 387 -6.345 -11.857 -5.304 1.00 35.33 H new ATOM 484 N LEU A 388 -2.870 -8.111 -8.007 1.00 22.12 N ATOM 485 CA LEU A 388 -2.650 -6.695 -8.112 1.00 41.00 C ATOM 486 C LEU A 388 -3.651 -5.976 -7.241 1.00 52.15 C ATOM 487 O LEU A 388 -4.858 -6.076 -7.439 1.00 41.35 O ATOM 488 CB LEU A 388 -2.774 -6.237 -9.569 1.00 13.41 C ATOM 489 CG LEU A 388 -2.664 -4.731 -9.822 1.00 53.50 C ATOM 490 CD1 LEU A 388 -1.322 -4.184 -9.374 1.00 53.55 C ATOM 491 CD2 LEU A 388 -2.914 -4.415 -11.285 1.00 3.22 C ATOM 0 H LEU A 388 -3.347 -8.526 -8.807 1.00 22.12 H new ATOM 0 HA LEU A 388 -1.641 -6.459 -7.774 1.00 41.00 H new ATOM 0 HB2 LEU A 388 -2.001 -6.738 -10.151 1.00 13.41 H new ATOM 0 HB3 LEU A 388 -3.735 -6.579 -9.954 1.00 13.41 H new ATOM 0 HG LEU A 388 -3.432 -4.239 -9.225 1.00 53.50 H new ATOM 0 HD11 LEU A 388 -1.282 -3.112 -9.570 1.00 53.55 H new ATOM 0 HD12 LEU A 388 -1.194 -4.363 -8.306 1.00 53.55 H new ATOM 0 HD13 LEU A 388 -0.524 -4.683 -9.923 1.00 53.55 H new ATOM 0 HD21 LEU A 388 -2.831 -3.340 -11.444 1.00 3.22 H new ATOM 0 HD22 LEU A 388 -2.176 -4.931 -11.900 1.00 3.22 H new ATOM 0 HD23 LEU A 388 -3.914 -4.747 -11.563 1.00 3.22 H new ATOM 499 N LEU A 389 -3.158 -5.295 -6.260 1.00 3.45 N ATOM 500 CA LEU A 389 -3.961 -4.614 -5.359 1.00 43.51 C ATOM 501 C LEU A 389 -4.362 -3.290 -5.987 1.00 61.34 C ATOM 502 O LEU A 389 -5.502 -3.098 -6.330 1.00 24.13 O ATOM 503 CB LEU A 389 -3.131 -4.407 -4.131 1.00 54.12 C ATOM 504 CG LEU A 389 -3.821 -4.279 -2.815 1.00 3.33 C ATOM 505 CD1 LEU A 389 -4.804 -3.127 -2.762 1.00 42.42 C ATOM 506 CD2 LEU A 389 -4.447 -5.592 -2.404 1.00 31.11 C ATOM 0 H LEU A 389 -2.158 -5.208 -6.077 1.00 3.45 H new ATOM 0 HA LEU A 389 -4.872 -5.156 -5.105 1.00 43.51 H new ATOM 0 HB2 LEU A 389 -2.433 -5.241 -4.059 1.00 54.12 H new ATOM 0 HB3 LEU A 389 -2.536 -3.506 -4.282 1.00 54.12 H new ATOM 0 HG LEU A 389 -3.055 -4.031 -2.080 1.00 3.33 H new ATOM 0 HD11 LEU A 389 -5.270 -3.091 -1.777 1.00 42.42 H new ATOM 0 HD12 LEU A 389 -4.278 -2.191 -2.948 1.00 42.42 H new ATOM 0 HD13 LEU A 389 -5.572 -3.269 -3.522 1.00 42.42 H new ATOM 0 HD21 LEU A 389 -4.944 -5.473 -1.441 1.00 31.11 H new ATOM 0 HD22 LEU A 389 -5.177 -5.898 -3.154 1.00 31.11 H new ATOM 0 HD23 LEU A 389 -3.672 -6.354 -2.320 1.00 31.11 H new ATOM 514 N GLY A 390 -3.416 -2.406 -6.168 1.00 70.01 N ATOM 515 CA GLY A 390 -3.736 -1.142 -6.750 1.00 44.31 C ATOM 516 C GLY A 390 -2.532 -0.472 -7.314 1.00 12.44 C ATOM 517 O GLY A 390 -1.405 -0.782 -6.918 1.00 14.21 O ATOM 0 H GLY A 390 -2.435 -2.540 -5.923 1.00 70.01 H new ATOM 0 HA2 GLY A 390 -4.477 -1.282 -7.537 1.00 44.31 H new ATOM 0 HA3 GLY A 390 -4.190 -0.499 -5.996 1.00 44.31 H new ATOM 521 N ASN A 391 -2.754 0.415 -8.239 1.00 20.11 N ATOM 522 CA ASN A 391 -1.698 1.223 -8.816 1.00 21.04 C ATOM 523 C ASN A 391 -1.721 2.557 -8.150 1.00 51.14 C ATOM 524 O ASN A 391 -2.786 3.040 -7.777 1.00 12.14 O ATOM 525 CB ASN A 391 -1.870 1.420 -10.332 1.00 24.43 C ATOM 526 CG ASN A 391 -1.584 0.191 -11.193 1.00 41.21 C ATOM 527 OD1 ASN A 391 -1.828 -0.987 -10.683 1.00 1.42 O flip ATOM 528 ND2 ASN A 391 -1.141 0.321 -12.327 1.00 52.42 N flip ATOM 0 H ASN A 391 -3.679 0.606 -8.624 1.00 20.11 H new ATOM 0 HA ASN A 391 -0.750 0.708 -8.660 1.00 21.04 H new ATOM 0 HB2 ASN A 391 -2.892 1.747 -10.524 1.00 24.43 H new ATOM 0 HB3 ASN A 391 -1.212 2.227 -10.653 1.00 24.43 H new ATOM 0 HD21 ASN A 391 -0.960 1.253 -12.700 1.00 52.42 H new ATOM 0 HD22 ASN A 391 -0.953 -0.503 -12.899 1.00 52.42 H new ATOM 534 N PHE A 392 -0.580 3.148 -7.989 1.00 54.33 N ATOM 535 CA PHE A 392 -0.482 4.438 -7.341 1.00 63.31 C ATOM 536 C PHE A 392 -1.051 5.505 -8.252 1.00 43.24 C ATOM 537 O PHE A 392 -0.517 5.751 -9.335 1.00 71.33 O ATOM 538 CB PHE A 392 0.981 4.759 -7.006 1.00 15.42 C ATOM 539 CG PHE A 392 1.636 3.889 -5.948 1.00 44.44 C ATOM 540 CD1 PHE A 392 1.462 2.513 -5.922 1.00 41.32 C ATOM 541 CD2 PHE A 392 2.441 4.463 -4.983 1.00 41.14 C ATOM 542 CE1 PHE A 392 2.079 1.743 -4.966 1.00 24.10 C ATOM 543 CE2 PHE A 392 3.065 3.697 -4.029 1.00 14.11 C ATOM 544 CZ PHE A 392 2.887 2.338 -4.020 1.00 61.55 C ATOM 0 H PHE A 392 0.312 2.761 -8.298 1.00 54.33 H new ATOM 0 HA PHE A 392 -1.052 4.413 -6.412 1.00 63.31 H new ATOM 0 HB2 PHE A 392 1.566 4.682 -7.922 1.00 15.42 H new ATOM 0 HB3 PHE A 392 1.037 5.797 -6.678 1.00 15.42 H new ATOM 0 HD1 PHE A 392 0.834 2.041 -6.663 1.00 41.32 H new ATOM 0 HD2 PHE A 392 2.582 5.534 -4.979 1.00 41.14 H new ATOM 0 HE1 PHE A 392 1.931 0.673 -4.955 1.00 24.10 H new ATOM 0 HE2 PHE A 392 3.695 4.165 -3.287 1.00 14.11 H new ATOM 0 HZ PHE A 392 3.379 1.734 -3.273 1.00 61.55 H new ATOM 554 N ALA A 393 -2.119 6.131 -7.820 1.00 51.34 N ATOM 555 CA ALA A 393 -2.765 7.146 -8.622 1.00 45.10 C ATOM 556 C ALA A 393 -2.235 8.511 -8.266 1.00 14.24 C ATOM 557 O ALA A 393 -1.886 9.300 -9.143 1.00 24.31 O ATOM 558 CB ALA A 393 -4.268 7.092 -8.441 1.00 44.10 C ATOM 0 H ALA A 393 -2.561 5.957 -6.917 1.00 51.34 H new ATOM 0 HA ALA A 393 -2.542 6.952 -9.671 1.00 45.10 H new ATOM 0 HB1 ALA A 393 -4.736 7.863 -9.053 1.00 44.10 H new ATOM 0 HB2 ALA A 393 -4.636 6.113 -8.747 1.00 44.10 H new ATOM 0 HB3 ALA A 393 -4.515 7.261 -7.393 1.00 44.10 H new ATOM 564 N SER A 394 -2.160 8.783 -6.989 1.00 71.31 N ATOM 565 CA SER A 394 -1.653 10.028 -6.509 1.00 12.30 C ATOM 566 C SER A 394 -1.246 9.866 -5.069 1.00 24.43 C ATOM 567 O SER A 394 -1.895 9.124 -4.308 1.00 23.10 O ATOM 568 CB SER A 394 -2.693 11.153 -6.682 1.00 62.31 C ATOM 569 OG SER A 394 -3.932 10.853 -6.031 1.00 53.14 O ATOM 0 H SER A 394 -2.452 8.139 -6.254 1.00 71.31 H new ATOM 0 HA SER A 394 -0.779 10.316 -7.094 1.00 12.30 H new ATOM 0 HB2 SER A 394 -2.290 12.082 -6.280 1.00 62.31 H new ATOM 0 HB3 SER A 394 -2.874 11.317 -7.744 1.00 62.31 H new ATOM 0 HG SER A 394 -4.560 11.593 -6.165 1.00 53.14 H new ATOM 575 N GLN A 395 -0.168 10.485 -4.703 1.00 23.44 N ATOM 576 CA GLN A 395 0.320 10.408 -3.372 1.00 62.40 C ATOM 577 C GLN A 395 0.985 11.682 -2.974 1.00 34.05 C ATOM 578 O GLN A 395 1.675 12.319 -3.782 1.00 21.15 O ATOM 579 CB GLN A 395 1.289 9.233 -3.176 1.00 53.23 C ATOM 580 CG GLN A 395 2.549 9.208 -4.068 1.00 45.34 C ATOM 581 CD GLN A 395 2.284 9.030 -5.556 1.00 44.43 C ATOM 582 OE1 GLN A 395 2.303 7.807 -6.013 1.00 63.40 O flip ATOM 583 NE2 GLN A 395 2.106 9.994 -6.286 1.00 43.45 N flip ATOM 0 H GLN A 395 0.398 11.060 -5.327 1.00 23.44 H new ATOM 0 HA GLN A 395 -0.545 10.239 -2.731 1.00 62.40 H new ATOM 0 HB2 GLN A 395 1.611 9.229 -2.135 1.00 53.23 H new ATOM 0 HB3 GLN A 395 0.738 8.308 -3.342 1.00 53.23 H new ATOM 0 HG2 GLN A 395 3.097 10.139 -3.921 1.00 45.34 H new ATOM 0 HG3 GLN A 395 3.198 8.399 -3.731 1.00 45.34 H new ATOM 0 HE21 GLN A 395 2.097 10.936 -5.894 1.00 43.45 H new ATOM 0 HE22 GLN A 395 1.966 9.857 -7.287 1.00 43.45 H new ATOM 591 N GLU A 396 0.783 12.069 -1.759 1.00 50.51 N ATOM 592 CA GLU A 396 1.400 13.245 -1.253 1.00 23.13 C ATOM 593 C GLU A 396 2.084 12.917 0.051 1.00 63.30 C ATOM 594 O GLU A 396 1.432 12.458 0.998 1.00 52.04 O ATOM 595 CB GLU A 396 0.383 14.335 -1.014 1.00 23.32 C ATOM 596 CG GLU A 396 1.013 15.652 -0.635 1.00 54.04 C ATOM 597 CD GLU A 396 0.017 16.638 -0.131 1.00 72.43 C ATOM 598 OE1 GLU A 396 -0.704 17.249 -0.938 1.00 25.10 O ATOM 599 OE2 GLU A 396 -0.052 16.826 1.090 1.00 20.41 O ATOM 0 H GLU A 396 0.187 11.579 -1.092 1.00 50.51 H new ATOM 0 HA GLU A 396 2.122 13.601 -1.988 1.00 23.13 H new ATOM 0 HB2 GLU A 396 -0.216 14.470 -1.915 1.00 23.32 H new ATOM 0 HB3 GLU A 396 -0.298 14.022 -0.222 1.00 23.32 H new ATOM 0 HG2 GLU A 396 1.770 15.482 0.131 1.00 54.04 H new ATOM 0 HG3 GLU A 396 1.525 16.069 -1.502 1.00 54.04 H new ATOM 606 N GLY A 397 3.374 13.126 0.091 1.00 63.11 N ATOM 607 CA GLY A 397 4.134 12.920 1.289 1.00 35.14 C ATOM 608 C GLY A 397 4.134 11.487 1.757 1.00 23.03 C ATOM 609 O GLY A 397 4.825 10.636 1.185 1.00 32.33 O ATOM 0 H GLY A 397 3.924 13.444 -0.707 1.00 63.11 H new ATOM 0 HA2 GLY A 397 5.162 13.239 1.118 1.00 35.14 H new ATOM 0 HA3 GLY A 397 3.731 13.553 2.080 1.00 35.14 H new ATOM 613 N ASN A 398 3.350 11.217 2.774 1.00 53.21 N ATOM 614 CA ASN A 398 3.310 9.908 3.378 1.00 64.12 C ATOM 615 C ASN A 398 1.962 9.223 3.170 1.00 71.42 C ATOM 616 O ASN A 398 1.731 8.141 3.714 1.00 74.02 O ATOM 617 CB ASN A 398 3.569 9.992 4.887 1.00 4.34 C ATOM 618 CG ASN A 398 2.450 10.696 5.677 1.00 4.15 C ATOM 619 OD1 ASN A 398 1.825 11.652 5.208 1.00 32.32 O ATOM 620 ND2 ASN A 398 2.155 10.176 6.850 1.00 4.14 N ATOM 0 H ASN A 398 2.724 11.897 3.205 1.00 53.21 H new ATOM 0 HA ASN A 398 4.091 9.324 2.890 1.00 64.12 H new ATOM 0 HB2 ASN A 398 3.698 8.983 5.280 1.00 4.34 H new ATOM 0 HB3 ASN A 398 4.507 10.522 5.055 1.00 4.34 H new ATOM 0 HD21 ASN A 398 1.389 10.563 7.401 1.00 4.14 H new ATOM 0 HD22 ASN A 398 2.692 9.386 7.207 1.00 4.14 H new ATOM 626 N VAL A 399 1.081 9.812 2.397 1.00 32.01 N ATOM 627 CA VAL A 399 -0.225 9.224 2.227 1.00 74.24 C ATOM 628 C VAL A 399 -0.375 8.845 0.791 1.00 63.21 C ATOM 629 O VAL A 399 -0.339 9.707 -0.106 1.00 71.32 O ATOM 630 CB VAL A 399 -1.377 10.157 2.666 1.00 61.34 C ATOM 631 CG1 VAL A 399 -2.696 9.414 2.604 1.00 3.30 C ATOM 632 CG2 VAL A 399 -1.138 10.696 4.072 1.00 62.54 C ATOM 0 H VAL A 399 1.239 10.680 1.885 1.00 32.01 H new ATOM 0 HA VAL A 399 -0.294 8.349 2.874 1.00 74.24 H new ATOM 0 HB VAL A 399 -1.413 11.005 1.982 1.00 61.34 H new ATOM 0 HG11 VAL A 399 -3.503 10.078 2.915 1.00 3.30 H new ATOM 0 HG12 VAL A 399 -2.876 9.077 1.583 1.00 3.30 H new ATOM 0 HG13 VAL A 399 -2.659 8.552 3.269 1.00 3.30 H new ATOM 0 HG21 VAL A 399 -1.963 11.349 4.356 1.00 62.54 H new ATOM 0 HG22 VAL A 399 -1.075 9.865 4.774 1.00 62.54 H new ATOM 0 HG23 VAL A 399 -0.205 11.260 4.092 1.00 62.54 H new ATOM 638 N LEU A 400 -0.521 7.578 0.560 1.00 14.04 N ATOM 639 CA LEU A 400 -0.484 7.065 -0.764 1.00 14.22 C ATOM 640 C LEU A 400 -1.823 6.360 -1.105 1.00 64.24 C ATOM 641 O LEU A 400 -2.256 5.450 -0.387 1.00 12.43 O ATOM 642 CB LEU A 400 0.682 6.053 -0.853 1.00 42.33 C ATOM 643 CG LEU A 400 2.032 6.408 -0.128 1.00 12.24 C ATOM 644 CD1 LEU A 400 3.060 5.316 -0.323 1.00 1.23 C ATOM 645 CD2 LEU A 400 2.613 7.731 -0.569 1.00 31.10 C ATOM 0 H LEU A 400 -0.669 6.876 1.285 1.00 14.04 H new ATOM 0 HA LEU A 400 -0.337 7.878 -1.476 1.00 14.22 H new ATOM 0 HB2 LEU A 400 0.329 5.103 -0.453 1.00 42.33 H new ATOM 0 HB3 LEU A 400 0.903 5.892 -1.908 1.00 42.33 H new ATOM 0 HG LEU A 400 1.785 6.494 0.930 1.00 12.24 H new ATOM 0 HD11 LEU A 400 3.983 5.589 0.189 1.00 1.23 H new ATOM 0 HD12 LEU A 400 2.680 4.381 0.088 1.00 1.23 H new ATOM 0 HD13 LEU A 400 3.259 5.190 -1.387 1.00 1.23 H new ATOM 0 HD21 LEU A 400 3.543 7.917 -0.032 1.00 31.10 H new ATOM 0 HD22 LEU A 400 2.812 7.702 -1.640 1.00 31.10 H new ATOM 0 HD23 LEU A 400 1.903 8.530 -0.353 1.00 31.10 H new ATOM 653 N LYS A 401 -2.475 6.792 -2.180 1.00 45.33 N ATOM 654 CA LYS A 401 -3.715 6.159 -2.658 1.00 21.01 C ATOM 655 C LYS A 401 -3.470 5.298 -3.870 1.00 74.32 C ATOM 656 O LYS A 401 -2.937 5.767 -4.894 1.00 4.04 O ATOM 657 CB LYS A 401 -4.810 7.187 -2.969 1.00 42.42 C ATOM 658 CG LYS A 401 -5.557 7.725 -1.758 1.00 54.51 C ATOM 659 CD LYS A 401 -6.420 6.639 -1.072 1.00 73.42 C ATOM 660 CE LYS A 401 -7.537 6.098 -1.985 1.00 2.11 C ATOM 661 NZ LYS A 401 -8.425 5.126 -1.278 1.00 50.44 N ATOM 0 H LYS A 401 -2.168 7.584 -2.745 1.00 45.33 H new ATOM 0 HA LYS A 401 -4.063 5.526 -1.842 1.00 21.01 H new ATOM 0 HB2 LYS A 401 -4.359 8.026 -3.499 1.00 42.42 H new ATOM 0 HB3 LYS A 401 -5.531 6.732 -3.648 1.00 42.42 H new ATOM 0 HG2 LYS A 401 -4.841 8.125 -1.040 1.00 54.51 H new ATOM 0 HG3 LYS A 401 -6.196 8.553 -2.066 1.00 54.51 H new ATOM 0 HD2 LYS A 401 -5.779 5.814 -0.763 1.00 73.42 H new ATOM 0 HD3 LYS A 401 -6.865 7.053 -0.167 1.00 73.42 H new ATOM 0 HE2 LYS A 401 -8.135 6.930 -2.356 1.00 2.11 H new ATOM 0 HE3 LYS A 401 -7.091 5.614 -2.854 1.00 2.11 H new ATOM 0 HZ1 LYS A 401 -9.108 4.725 -1.953 1.00 50.44 H new ATOM 0 HZ2 LYS A 401 -7.849 4.361 -0.873 1.00 50.44 H new ATOM 0 HZ3 LYS A 401 -8.937 5.614 -0.516 1.00 50.44 H new ATOM 675 N TYR A 402 -3.849 4.047 -3.769 1.00 64.04 N ATOM 676 CA TYR A 402 -3.676 3.127 -4.865 1.00 24.32 C ATOM 677 C TYR A 402 -5.040 2.686 -5.319 1.00 3.30 C ATOM 678 O TYR A 402 -5.895 2.394 -4.486 1.00 45.41 O ATOM 679 CB TYR A 402 -2.891 1.889 -4.424 1.00 51.41 C ATOM 680 CG TYR A 402 -1.816 2.157 -3.419 1.00 41.44 C ATOM 681 CD1 TYR A 402 -0.855 3.092 -3.647 1.00 30.35 C ATOM 682 CD2 TYR A 402 -1.784 1.468 -2.222 1.00 44.44 C ATOM 683 CE1 TYR A 402 0.116 3.336 -2.729 1.00 3.51 C ATOM 684 CE2 TYR A 402 -0.799 1.714 -1.300 1.00 4.52 C ATOM 685 CZ TYR A 402 0.142 2.647 -1.565 1.00 20.41 C ATOM 686 OH TYR A 402 1.136 2.883 -0.669 1.00 1.54 O ATOM 0 H TYR A 402 -4.280 3.643 -2.937 1.00 64.04 H new ATOM 0 HA TYR A 402 -3.125 3.623 -5.664 1.00 24.32 H new ATOM 0 HB2 TYR A 402 -3.588 1.163 -4.005 1.00 51.41 H new ATOM 0 HB3 TYR A 402 -2.441 1.428 -5.303 1.00 51.41 H new ATOM 0 HD1 TYR A 402 -0.864 3.649 -4.572 1.00 30.35 H new ATOM 0 HD2 TYR A 402 -2.542 0.728 -2.010 1.00 44.44 H new ATOM 0 HE1 TYR A 402 0.870 4.083 -2.929 1.00 3.51 H new ATOM 0 HE2 TYR A 402 -0.776 1.166 -0.369 1.00 4.52 H new ATOM 0 HH TYR A 402 1.536 2.032 -0.393 1.00 1.54 H new ATOM 696 N GLU A 403 -5.252 2.640 -6.607 1.00 35.21 N ATOM 697 CA GLU A 403 -6.527 2.235 -7.163 1.00 63.55 C ATOM 698 C GLU A 403 -6.353 1.499 -8.461 1.00 34.20 C ATOM 699 O GLU A 403 -5.232 1.349 -8.959 1.00 43.50 O ATOM 700 CB GLU A 403 -7.453 3.432 -7.397 1.00 3.23 C ATOM 701 CG GLU A 403 -6.843 4.531 -8.249 1.00 42.14 C ATOM 702 CD GLU A 403 -7.838 5.594 -8.624 1.00 64.22 C ATOM 703 OE1 GLU A 403 -8.196 6.432 -7.770 1.00 61.13 O ATOM 704 OE2 GLU A 403 -8.298 5.601 -9.785 1.00 32.11 O ATOM 0 H GLU A 403 -4.549 2.881 -7.306 1.00 35.21 H new ATOM 0 HA GLU A 403 -6.982 1.571 -6.428 1.00 63.55 H new ATOM 0 HB2 GLU A 403 -8.368 3.082 -7.875 1.00 3.23 H new ATOM 0 HB3 GLU A 403 -7.738 3.851 -6.432 1.00 3.23 H new ATOM 0 HG2 GLU A 403 -6.016 4.989 -7.707 1.00 42.14 H new ATOM 0 HG3 GLU A 403 -6.426 4.093 -9.156 1.00 42.14 H new ATOM 711 N ASN A 404 -7.473 1.019 -8.979 1.00 44.24 N ATOM 712 CA ASN A 404 -7.580 0.403 -10.295 1.00 35.51 C ATOM 713 C ASN A 404 -6.711 -0.824 -10.436 1.00 60.23 C ATOM 714 O ASN A 404 -6.201 -1.129 -11.518 1.00 22.40 O ATOM 715 CB ASN A 404 -7.295 1.432 -11.383 1.00 13.30 C ATOM 716 CG ASN A 404 -8.424 1.480 -12.386 1.00 53.45 C ATOM 717 OD1 ASN A 404 -8.404 0.798 -13.418 1.00 64.10 O ATOM 718 ND2 ASN A 404 -9.448 2.240 -12.060 1.00 65.10 N ATOM 0 H ASN A 404 -8.362 1.048 -8.480 1.00 44.24 H new ATOM 0 HA ASN A 404 -8.605 0.053 -10.413 1.00 35.51 H new ATOM 0 HB2 ASN A 404 -7.160 2.416 -10.933 1.00 13.30 H new ATOM 0 HB3 ASN A 404 -6.363 1.183 -11.890 1.00 13.30 H new ATOM 0 HD21 ASN A 404 -10.266 2.282 -12.668 1.00 65.10 H new ATOM 0 HD22 ASN A 404 -9.424 2.787 -11.199 1.00 65.10 H new ATOM 724 N GLY A 405 -6.592 -1.555 -9.341 1.00 0.33 N ATOM 725 CA GLY A 405 -5.859 -2.795 -9.348 1.00 72.13 C ATOM 726 C GLY A 405 -6.657 -3.924 -9.992 1.00 42.34 C ATOM 727 O GLY A 405 -7.374 -3.711 -10.980 1.00 63.14 O ATOM 0 H GLY A 405 -6.996 -1.305 -8.438 1.00 0.33 H new ATOM 0 HA2 GLY A 405 -4.922 -2.659 -9.887 1.00 72.13 H new ATOM 0 HA3 GLY A 405 -5.601 -3.070 -8.325 1.00 72.13 H new ATOM 731 N GLN A 406 -6.567 -5.100 -9.425 1.00 41.23 N ATOM 732 CA GLN A 406 -7.253 -6.258 -9.962 1.00 4.22 C ATOM 733 C GLN A 406 -8.751 -6.143 -9.643 1.00 35.13 C ATOM 734 O GLN A 406 -9.128 -5.677 -8.558 1.00 22.31 O ATOM 735 CB GLN A 406 -6.543 -7.565 -9.456 1.00 13.30 C ATOM 736 CG GLN A 406 -7.115 -8.911 -9.905 1.00 42.10 C ATOM 737 CD GLN A 406 -8.336 -9.331 -9.141 1.00 14.12 C ATOM 738 OE1 GLN A 406 -8.370 -9.009 -7.873 1.00 12.34 O flip ATOM 739 NE2 GLN A 406 -9.212 -9.990 -9.671 1.00 55.43 N flip ATOM 0 H GLN A 406 -6.021 -5.286 -8.584 1.00 41.23 H new ATOM 0 HA GLN A 406 -7.193 -6.309 -11.049 1.00 4.22 H new ATOM 0 HB2 GLN A 406 -5.501 -7.523 -9.772 1.00 13.30 H new ATOM 0 HB3 GLN A 406 -6.547 -7.547 -8.366 1.00 13.30 H new ATOM 0 HG2 GLN A 406 -7.362 -8.856 -10.965 1.00 42.10 H new ATOM 0 HG3 GLN A 406 -6.347 -9.677 -9.796 1.00 42.10 H new ATOM 0 HE21 GLN A 406 -9.148 -10.220 -10.663 1.00 55.43 H new ATOM 0 HE22 GLN A 406 -10.010 -10.312 -9.123 1.00 55.43 H new ATOM 747 N SER A 407 -9.581 -6.508 -10.604 1.00 71.22 N ATOM 748 CA SER A 407 -11.025 -6.322 -10.521 1.00 5.33 C ATOM 749 C SER A 407 -11.657 -7.062 -9.334 1.00 44.24 C ATOM 750 O SER A 407 -11.435 -8.251 -9.114 1.00 45.12 O ATOM 751 CB SER A 407 -11.696 -6.733 -11.843 1.00 41.54 C ATOM 752 OG SER A 407 -13.085 -6.440 -11.835 1.00 50.23 O ATOM 0 H SER A 407 -9.273 -6.946 -11.472 1.00 71.22 H new ATOM 0 HA SER A 407 -11.197 -5.260 -10.348 1.00 5.33 H new ATOM 0 HB2 SER A 407 -11.218 -6.212 -12.672 1.00 41.54 H new ATOM 0 HB3 SER A 407 -11.549 -7.800 -12.010 1.00 41.54 H new ATOM 0 HG SER A 407 -13.481 -6.711 -12.689 1.00 50.23 H new ATOM 826 N HIS A 413 -12.403 -1.987 -8.576 1.00 32.42 N ATOM 827 CA HIS A 413 -11.207 -2.808 -8.606 1.00 3.43 C ATOM 828 C HIS A 413 -10.708 -2.821 -7.199 1.00 30.41 C ATOM 829 O HIS A 413 -11.360 -2.246 -6.324 1.00 24.50 O ATOM 830 CB HIS A 413 -10.079 -2.164 -9.467 1.00 53.13 C ATOM 831 CG HIS A 413 -10.378 -1.967 -10.911 1.00 10.45 C ATOM 832 ND1 HIS A 413 -10.201 -2.941 -11.848 1.00 24.10 N ATOM 833 CD2 HIS A 413 -10.850 -0.893 -11.578 1.00 51.53 C ATOM 834 CE1 HIS A 413 -10.552 -2.489 -13.017 1.00 14.51 C ATOM 835 NE2 HIS A 413 -10.947 -1.253 -12.884 1.00 24.31 N ATOM 0 HA HIS A 413 -11.443 -3.788 -9.021 1.00 3.43 H new ATOM 0 HB2 HIS A 413 -9.831 -1.195 -9.035 1.00 53.13 H new ATOM 0 HB3 HIS A 413 -9.189 -2.787 -9.385 1.00 53.13 H new ATOM 0 HD2 HIS A 413 -11.102 0.068 -11.155 1.00 51.53 H new ATOM 0 HE1 HIS A 413 -10.521 -3.045 -13.943 1.00 14.51 H new ATOM 0 HE2 HIS A 413 -11.276 -0.653 -13.640 1.00 24.31 H new ATOM 844 N ARG A 414 -9.598 -3.463 -6.950 1.00 41.52 N ATOM 845 CA ARG A 414 -8.970 -3.314 -5.674 1.00 55.44 C ATOM 846 C ARG A 414 -8.282 -1.980 -5.575 1.00 41.54 C ATOM 847 O ARG A 414 -7.899 -1.369 -6.601 1.00 3.41 O ATOM 848 CB ARG A 414 -8.028 -4.454 -5.311 1.00 30.30 C ATOM 849 CG ARG A 414 -8.729 -5.716 -4.874 1.00 22.53 C ATOM 850 CD ARG A 414 -7.738 -6.823 -4.576 1.00 43.33 C ATOM 851 NE ARG A 414 -8.408 -8.068 -4.192 1.00 62.21 N ATOM 852 CZ ARG A 414 -7.855 -9.066 -3.486 1.00 5.44 C ATOM 853 NH1 ARG A 414 -6.607 -8.959 -3.021 1.00 65.01 N ATOM 854 NH2 ARG A 414 -8.555 -10.158 -3.234 1.00 72.22 N ATOM 0 H ARG A 414 -9.120 -4.083 -7.604 1.00 41.52 H new ATOM 0 HA ARG A 414 -9.770 -3.357 -4.935 1.00 55.44 H new ATOM 0 HB2 ARG A 414 -7.399 -4.680 -6.172 1.00 30.30 H new ATOM 0 HB3 ARG A 414 -7.366 -4.123 -4.511 1.00 30.30 H new ATOM 0 HG2 ARG A 414 -9.328 -5.513 -3.986 1.00 22.53 H new ATOM 0 HG3 ARG A 414 -9.417 -6.041 -5.655 1.00 22.53 H new ATOM 0 HD2 ARG A 414 -7.118 -7.001 -5.454 1.00 43.33 H new ATOM 0 HD3 ARG A 414 -7.071 -6.507 -3.773 1.00 43.33 H new ATOM 0 HE ARG A 414 -9.377 -8.186 -4.486 1.00 62.21 H new ATOM 0 HH11 ARG A 414 -6.066 -8.113 -3.202 1.00 65.01 H new ATOM 0 HH12 ARG A 414 -6.195 -9.723 -2.485 1.00 65.01 H new ATOM 0 HH21 ARG A 414 -9.512 -10.240 -3.576 1.00 72.22 H new ATOM 0 HH22 ARG A 414 -8.138 -10.919 -2.698 1.00 72.22 H new ATOM 866 N SER A 415 -8.141 -1.531 -4.372 1.00 64.23 N ATOM 867 CA SER A 415 -7.561 -0.272 -4.072 1.00 21.31 C ATOM 868 C SER A 415 -7.179 -0.245 -2.594 1.00 31.43 C ATOM 869 O SER A 415 -7.662 -1.076 -1.821 1.00 22.43 O ATOM 870 CB SER A 415 -8.564 0.837 -4.426 1.00 13.13 C ATOM 871 OG SER A 415 -9.833 0.565 -3.850 1.00 22.53 O ATOM 0 H SER A 415 -8.438 -2.051 -3.546 1.00 64.23 H new ATOM 0 HA SER A 415 -6.657 -0.107 -4.658 1.00 21.31 H new ATOM 0 HB2 SER A 415 -8.194 1.798 -4.067 1.00 13.13 H new ATOM 0 HB3 SER A 415 -8.660 0.916 -5.509 1.00 13.13 H new ATOM 0 HG SER A 415 -10.459 1.282 -4.084 1.00 22.53 H new ATOM 877 N ALA A 416 -6.320 0.670 -2.202 1.00 75.32 N ATOM 878 CA ALA A 416 -5.876 0.747 -0.835 1.00 13.31 C ATOM 879 C ALA A 416 -5.301 2.102 -0.536 1.00 62.22 C ATOM 880 O ALA A 416 -4.820 2.800 -1.438 1.00 62.42 O ATOM 881 CB ALA A 416 -4.845 -0.336 -0.534 1.00 11.00 C ATOM 0 H ALA A 416 -5.915 1.374 -2.819 1.00 75.32 H new ATOM 0 HA ALA A 416 -6.744 0.587 -0.195 1.00 13.31 H new ATOM 0 HB1 ALA A 416 -4.526 -0.256 0.505 1.00 11.00 H new ATOM 0 HB2 ALA A 416 -5.288 -1.317 -0.703 1.00 11.00 H new ATOM 0 HB3 ALA A 416 -3.983 -0.210 -1.189 1.00 11.00 H new ATOM 887 N ILE A 417 -5.395 2.496 0.691 1.00 44.25 N ATOM 888 CA ILE A 417 -4.753 3.702 1.137 1.00 71.23 C ATOM 889 C ILE A 417 -3.650 3.341 2.120 1.00 1.51 C ATOM 890 O ILE A 417 -3.861 2.577 3.072 1.00 55.12 O ATOM 891 CB ILE A 417 -5.728 4.762 1.776 1.00 61.04 C ATOM 892 CG1 ILE A 417 -4.970 6.079 2.019 1.00 71.51 C ATOM 893 CG2 ILE A 417 -6.326 4.265 3.093 1.00 30.44 C ATOM 894 CD1 ILE A 417 -5.825 7.195 2.589 1.00 60.34 C ATOM 0 H ILE A 417 -5.915 1.999 1.414 1.00 44.25 H new ATOM 0 HA ILE A 417 -4.346 4.185 0.249 1.00 71.23 H new ATOM 0 HB ILE A 417 -6.549 4.924 1.077 1.00 61.04 H new ATOM 0 HG12 ILE A 417 -4.142 5.887 2.701 1.00 71.51 H new ATOM 0 HG13 ILE A 417 -4.536 6.414 1.077 1.00 71.51 H new ATOM 0 HG21 ILE A 417 -6.992 5.026 3.500 1.00 30.44 H new ATOM 0 HG22 ILE A 417 -6.888 3.348 2.914 1.00 30.44 H new ATOM 0 HG23 ILE A 417 -5.524 4.066 3.804 1.00 30.44 H new ATOM 0 HD11 ILE A 417 -5.213 8.086 2.730 1.00 60.34 H new ATOM 0 HD12 ILE A 417 -6.639 7.418 1.899 1.00 60.34 H new ATOM 0 HD13 ILE A 417 -6.238 6.883 3.548 1.00 60.34 H new ATOM 901 N VAL A 418 -2.495 3.829 1.869 1.00 0.31 N ATOM 902 CA VAL A 418 -1.386 3.619 2.736 1.00 24.24 C ATOM 903 C VAL A 418 -0.988 4.894 3.409 1.00 11.44 C ATOM 904 O VAL A 418 -0.832 5.932 2.767 1.00 63.10 O ATOM 905 CB VAL A 418 -0.189 2.943 2.012 1.00 65.54 C ATOM 906 CG1 VAL A 418 1.109 3.194 2.720 1.00 74.24 C ATOM 907 CG2 VAL A 418 -0.398 1.455 1.966 1.00 61.31 C ATOM 0 H VAL A 418 -2.284 4.394 1.046 1.00 0.31 H new ATOM 0 HA VAL A 418 -1.704 2.920 3.509 1.00 24.24 H new ATOM 0 HB VAL A 418 -0.141 3.370 1.010 1.00 65.54 H new ATOM 0 HG11 VAL A 418 1.919 2.703 2.180 1.00 74.24 H new ATOM 0 HG12 VAL A 418 1.299 4.267 2.763 1.00 74.24 H new ATOM 0 HG13 VAL A 418 1.054 2.795 3.733 1.00 74.24 H new ATOM 0 HG21 VAL A 418 0.444 0.985 1.457 1.00 61.31 H new ATOM 0 HG22 VAL A 418 -0.471 1.066 2.982 1.00 61.31 H new ATOM 0 HG23 VAL A 418 -1.318 1.233 1.425 1.00 61.31 H new ATOM 913 N THR A 419 -0.878 4.830 4.696 1.00 2.11 N ATOM 914 CA THR A 419 -0.449 5.942 5.452 1.00 61.23 C ATOM 915 C THR A 419 0.893 5.546 6.052 1.00 3.03 C ATOM 916 O THR A 419 0.972 4.599 6.845 1.00 24.33 O ATOM 917 CB THR A 419 -1.446 6.234 6.577 1.00 62.11 C ATOM 918 OG1 THR A 419 -2.775 5.874 6.123 1.00 14.04 O ATOM 919 CG2 THR A 419 -1.481 7.717 6.842 1.00 62.01 C ATOM 0 H THR A 419 -1.086 3.997 5.247 1.00 2.11 H new ATOM 0 HA THR A 419 -0.372 6.836 4.833 1.00 61.23 H new ATOM 0 HB THR A 419 -1.151 5.678 7.467 1.00 62.11 H new ATOM 0 HG1 THR A 419 -3.424 6.054 6.835 1.00 14.04 H new ATOM 0 HG21 THR A 419 -2.190 7.927 7.643 1.00 62.01 H new ATOM 0 HG22 THR A 419 -0.489 8.057 7.138 1.00 62.01 H new ATOM 0 HG23 THR A 419 -1.789 8.241 5.937 1.00 62.01 H new ATOM 925 N VAL A 420 1.927 6.219 5.663 1.00 64.43 N ATOM 926 CA VAL A 420 3.262 5.862 6.103 1.00 21.34 C ATOM 927 C VAL A 420 3.680 6.790 7.223 1.00 73.40 C ATOM 928 O VAL A 420 3.589 7.976 7.091 1.00 43.42 O ATOM 929 CB VAL A 420 4.292 5.991 4.940 1.00 32.13 C ATOM 930 CG1 VAL A 420 5.656 5.491 5.360 1.00 43.21 C ATOM 931 CG2 VAL A 420 3.819 5.275 3.689 1.00 73.24 C ATOM 0 H VAL A 420 1.886 7.025 5.039 1.00 64.43 H new ATOM 0 HA VAL A 420 3.244 4.827 6.443 1.00 21.34 H new ATOM 0 HB VAL A 420 4.376 7.051 4.702 1.00 32.13 H new ATOM 0 HG11 VAL A 420 6.353 5.594 4.528 1.00 43.21 H new ATOM 0 HG12 VAL A 420 6.013 6.077 6.207 1.00 43.21 H new ATOM 0 HG13 VAL A 420 5.586 4.442 5.648 1.00 43.21 H new ATOM 0 HG21 VAL A 420 4.564 5.388 2.901 1.00 73.24 H new ATOM 0 HG22 VAL A 420 3.679 4.216 3.907 1.00 73.24 H new ATOM 0 HG23 VAL A 420 2.874 5.706 3.359 1.00 73.24 H new ATOM 937 N GLU A 421 4.107 6.255 8.322 1.00 3.00 N ATOM 938 CA GLU A 421 4.530 7.094 9.417 1.00 35.32 C ATOM 939 C GLU A 421 5.998 6.871 9.720 1.00 61.12 C ATOM 940 O GLU A 421 6.677 6.139 9.007 1.00 34.01 O ATOM 941 CB GLU A 421 3.693 6.829 10.647 1.00 60.33 C ATOM 942 CG GLU A 421 2.211 6.975 10.420 1.00 41.32 C ATOM 943 CD GLU A 421 1.438 6.745 11.669 1.00 72.40 C ATOM 944 OE1 GLU A 421 1.356 5.588 12.108 1.00 51.25 O ATOM 945 OE2 GLU A 421 0.943 7.723 12.258 1.00 72.44 O ATOM 0 H GLU A 421 4.175 5.252 8.493 1.00 3.00 H new ATOM 0 HA GLU A 421 4.390 8.134 9.124 1.00 35.32 H new ATOM 0 HB2 GLU A 421 3.898 5.820 11.004 1.00 60.33 H new ATOM 0 HB3 GLU A 421 3.999 7.515 11.437 1.00 60.33 H new ATOM 0 HG2 GLU A 421 1.998 7.974 10.039 1.00 41.32 H new ATOM 0 HG3 GLU A 421 1.888 6.267 9.657 1.00 41.32 H new ATOM 952 N CYS A 422 6.476 7.504 10.761 1.00 53.13 N ATOM 953 CA CYS A 422 7.863 7.409 11.174 1.00 2.42 C ATOM 954 C CYS A 422 8.216 5.990 11.552 1.00 44.42 C ATOM 955 O CYS A 422 7.524 5.357 12.361 1.00 32.04 O ATOM 956 CB CYS A 422 8.113 8.346 12.371 1.00 12.25 C ATOM 957 SG CYS A 422 9.779 8.209 13.149 1.00 72.41 S ATOM 0 H CYS A 422 5.910 8.109 11.356 1.00 53.13 H new ATOM 0 HA CYS A 422 8.494 7.708 10.337 1.00 2.42 H new ATOM 0 HB2 CYS A 422 7.968 9.375 12.042 1.00 12.25 H new ATOM 0 HB3 CYS A 422 7.358 8.146 13.131 1.00 12.25 H new ATOM 0 HG CYS A 422 9.866 9.047 14.139 1.00 72.41 H new ATOM 962 N GLY A 423 9.274 5.491 10.972 1.00 73.43 N ATOM 963 CA GLY A 423 9.730 4.167 11.299 1.00 42.34 C ATOM 964 C GLY A 423 11.194 4.014 11.053 1.00 24.44 C ATOM 965 O GLY A 423 11.858 4.967 10.631 1.00 41.22 O ATOM 0 H GLY A 423 9.835 5.979 10.273 1.00 73.43 H new ATOM 0 HA2 GLY A 423 9.512 3.955 12.346 1.00 42.34 H new ATOM 0 HA3 GLY A 423 9.182 3.436 10.705 1.00 42.34 H new ATOM 969 N VAL A 424 11.702 2.834 11.299 1.00 44.42 N ATOM 970 CA VAL A 424 13.107 2.545 11.090 1.00 72.41 C ATOM 971 C VAL A 424 13.314 2.144 9.640 1.00 2.52 C ATOM 972 O VAL A 424 14.288 2.535 9.000 1.00 34.52 O ATOM 973 CB VAL A 424 13.593 1.395 12.024 1.00 53.54 C ATOM 974 CG1 VAL A 424 15.076 1.101 11.819 1.00 2.32 C ATOM 975 CG2 VAL A 424 13.315 1.734 13.483 1.00 23.25 C ATOM 0 H VAL A 424 11.159 2.045 11.649 1.00 44.42 H new ATOM 0 HA VAL A 424 13.687 3.437 11.325 1.00 72.41 H new ATOM 0 HB VAL A 424 13.034 0.497 11.762 1.00 53.54 H new ATOM 0 HG11 VAL A 424 15.383 0.295 12.485 1.00 2.32 H new ATOM 0 HG12 VAL A 424 15.248 0.803 10.785 1.00 2.32 H new ATOM 0 HG13 VAL A 424 15.658 1.995 12.040 1.00 2.32 H new ATOM 0 HG21 VAL A 424 13.662 0.919 14.118 1.00 23.25 H new ATOM 0 HG22 VAL A 424 13.841 2.651 13.750 1.00 23.25 H new ATOM 0 HG23 VAL A 424 12.244 1.875 13.626 1.00 23.25 H new ATOM 981 N GLU A 425 12.373 1.401 9.126 1.00 71.55 N ATOM 982 CA GLU A 425 12.410 0.918 7.777 1.00 53.10 C ATOM 983 C GLU A 425 11.019 0.774 7.258 1.00 32.44 C ATOM 984 O GLU A 425 10.079 0.587 8.023 1.00 42.22 O ATOM 985 CB GLU A 425 13.195 -0.417 7.684 1.00 32.21 C ATOM 986 CG GLU A 425 13.200 -1.043 6.290 1.00 60.14 C ATOM 987 CD GLU A 425 14.093 -2.244 6.158 1.00 43.42 C ATOM 988 OE1 GLU A 425 13.934 -3.222 6.921 1.00 3.41 O ATOM 989 OE2 GLU A 425 14.947 -2.243 5.254 1.00 3.43 O ATOM 0 H GLU A 425 11.544 1.110 9.644 1.00 71.55 H new ATOM 0 HA GLU A 425 12.938 1.641 7.155 1.00 53.10 H new ATOM 0 HB2 GLU A 425 14.225 -0.243 7.996 1.00 32.21 H new ATOM 0 HB3 GLU A 425 12.765 -1.129 8.388 1.00 32.21 H new ATOM 0 HG2 GLU A 425 12.182 -1.331 6.030 1.00 60.14 H new ATOM 0 HG3 GLU A 425 13.513 -0.290 5.567 1.00 60.14 H new ATOM 996 N ASN A 426 10.906 0.945 5.972 1.00 53.34 N ATOM 997 CA ASN A 426 9.699 0.743 5.221 1.00 11.34 C ATOM 998 C ASN A 426 9.082 -0.638 5.523 1.00 55.53 C ATOM 999 O ASN A 426 9.545 -1.665 5.045 1.00 30.25 O ATOM 1000 CB ASN A 426 10.026 0.911 3.725 1.00 12.51 C ATOM 1001 CG ASN A 426 11.325 0.188 3.323 1.00 31.13 C ATOM 1002 OD1 ASN A 426 11.237 -1.050 3.005 1.00 44.24 O flip ATOM 1003 ND2 ASN A 426 12.407 0.774 3.361 1.00 23.14 N flip ATOM 0 H ASN A 426 11.690 1.243 5.391 1.00 53.34 H new ATOM 0 HA ASN A 426 8.952 1.482 5.510 1.00 11.34 H new ATOM 0 HB2 ASN A 426 9.199 0.524 3.130 1.00 12.51 H new ATOM 0 HB3 ASN A 426 10.117 1.972 3.493 1.00 12.51 H new ATOM 0 HD21 ASN A 426 12.444 1.760 3.618 1.00 23.14 H new ATOM 0 HD22 ASN A 426 13.266 0.273 3.136 1.00 23.14 H new ATOM 1009 N GLU A 427 8.083 -0.652 6.351 1.00 21.42 N ATOM 1010 CA GLU A 427 7.454 -1.886 6.753 1.00 5.22 C ATOM 1011 C GLU A 427 5.950 -1.775 6.636 1.00 42.41 C ATOM 1012 O GLU A 427 5.385 -0.701 6.868 1.00 45.11 O ATOM 1013 CB GLU A 427 7.847 -2.208 8.201 1.00 72.54 C ATOM 1014 CG GLU A 427 7.285 -3.513 8.735 1.00 1.42 C ATOM 1015 CD GLU A 427 7.694 -3.774 10.156 1.00 31.32 C ATOM 1016 OE1 GLU A 427 8.862 -4.149 10.387 1.00 51.14 O ATOM 1017 OE2 GLU A 427 6.852 -3.621 11.066 1.00 12.42 O ATOM 0 H GLU A 427 7.677 0.185 6.770 1.00 21.42 H new ATOM 0 HA GLU A 427 7.791 -2.689 6.097 1.00 5.22 H new ATOM 0 HB2 GLU A 427 8.934 -2.241 8.269 1.00 72.54 H new ATOM 0 HB3 GLU A 427 7.512 -1.394 8.844 1.00 72.54 H new ATOM 0 HG2 GLU A 427 6.197 -3.490 8.671 1.00 1.42 H new ATOM 0 HG3 GLU A 427 7.624 -4.336 8.105 1.00 1.42 H new ATOM 1024 N ILE A 428 5.305 -2.871 6.259 1.00 74.23 N ATOM 1025 CA ILE A 428 3.863 -2.917 6.212 1.00 44.24 C ATOM 1026 C ILE A 428 3.414 -3.243 7.616 1.00 64.25 C ATOM 1027 O ILE A 428 3.744 -4.309 8.147 1.00 4.42 O ATOM 1028 CB ILE A 428 3.332 -4.036 5.282 1.00 5.14 C ATOM 1029 CG1 ILE A 428 4.033 -4.017 3.914 1.00 24.20 C ATOM 1030 CG2 ILE A 428 1.824 -3.862 5.098 1.00 13.20 C ATOM 1031 CD1 ILE A 428 3.812 -2.761 3.127 1.00 53.23 C ATOM 0 H ILE A 428 5.765 -3.738 5.982 1.00 74.23 H new ATOM 0 HA ILE A 428 3.487 -1.967 5.832 1.00 44.24 H new ATOM 0 HB ILE A 428 3.545 -4.999 5.747 1.00 5.14 H new ATOM 0 HG12 ILE A 428 5.104 -4.154 4.065 1.00 24.20 H new ATOM 0 HG13 ILE A 428 3.683 -4.866 3.327 1.00 24.20 H new ATOM 0 HG21 ILE A 428 1.444 -4.647 4.444 1.00 13.20 H new ATOM 0 HG22 ILE A 428 1.329 -3.926 6.067 1.00 13.20 H new ATOM 0 HG23 ILE A 428 1.622 -2.888 4.651 1.00 13.20 H new ATOM 0 HD11 ILE A 428 4.340 -2.830 2.176 1.00 53.23 H new ATOM 0 HD12 ILE A 428 2.746 -2.631 2.941 1.00 53.23 H new ATOM 0 HD13 ILE A 428 4.189 -1.907 3.691 1.00 53.23 H new ATOM 1038 N VAL A 429 2.711 -2.354 8.212 1.00 73.53 N ATOM 1039 CA VAL A 429 2.293 -2.506 9.584 1.00 71.13 C ATOM 1040 C VAL A 429 1.055 -3.368 9.707 1.00 15.03 C ATOM 1041 O VAL A 429 1.028 -4.333 10.476 1.00 63.05 O ATOM 1042 CB VAL A 429 2.051 -1.115 10.227 1.00 22.24 C ATOM 1043 CG1 VAL A 429 1.370 -1.222 11.577 1.00 71.50 C ATOM 1044 CG2 VAL A 429 3.362 -0.371 10.356 1.00 24.53 C ATOM 0 H VAL A 429 2.399 -1.488 7.772 1.00 73.53 H new ATOM 0 HA VAL A 429 3.096 -3.014 10.119 1.00 71.13 H new ATOM 0 HB VAL A 429 1.381 -0.559 9.571 1.00 22.24 H new ATOM 0 HG11 VAL A 429 1.221 -0.224 11.989 1.00 71.50 H new ATOM 0 HG12 VAL A 429 0.405 -1.714 11.460 1.00 71.50 H new ATOM 0 HG13 VAL A 429 1.994 -1.805 12.254 1.00 71.50 H new ATOM 0 HG21 VAL A 429 3.184 0.605 10.808 1.00 24.53 H new ATOM 0 HG22 VAL A 429 4.045 -0.943 10.984 1.00 24.53 H new ATOM 0 HG23 VAL A 429 3.803 -0.238 9.368 1.00 24.53 H new ATOM 1050 N SER A 430 0.057 -3.052 8.946 1.00 11.12 N ATOM 1051 CA SER A 430 -1.215 -3.711 9.046 1.00 14.50 C ATOM 1052 C SER A 430 -1.995 -3.465 7.790 1.00 73.13 C ATOM 1053 O SER A 430 -1.672 -2.547 7.030 1.00 52.05 O ATOM 1054 CB SER A 430 -2.015 -3.166 10.256 1.00 12.41 C ATOM 1055 OG SER A 430 -1.317 -3.360 11.485 1.00 52.52 O ATOM 0 H SER A 430 0.097 -2.325 8.231 1.00 11.12 H new ATOM 0 HA SER A 430 -1.050 -4.779 9.185 1.00 14.50 H new ATOM 0 HB2 SER A 430 -2.210 -2.103 10.113 1.00 12.41 H new ATOM 0 HB3 SER A 430 -2.983 -3.664 10.306 1.00 12.41 H new ATOM 0 HG SER A 430 -1.851 -3.003 12.225 1.00 52.52 H new ATOM 1061 N VAL A 431 -2.995 -4.263 7.576 1.00 52.55 N ATOM 1062 CA VAL A 431 -3.872 -4.114 6.467 1.00 62.04 C ATOM 1063 C VAL A 431 -5.269 -4.421 6.913 1.00 61.35 C ATOM 1064 O VAL A 431 -5.607 -5.556 7.261 1.00 33.21 O ATOM 1065 CB VAL A 431 -3.452 -4.958 5.212 1.00 15.11 C ATOM 1066 CG1 VAL A 431 -3.225 -6.409 5.553 1.00 51.55 C ATOM 1067 CG2 VAL A 431 -4.498 -4.836 4.113 1.00 34.35 C ATOM 0 H VAL A 431 -3.225 -5.050 8.182 1.00 52.55 H new ATOM 0 HA VAL A 431 -3.813 -3.080 6.128 1.00 62.04 H new ATOM 0 HB VAL A 431 -2.505 -4.553 4.855 1.00 15.11 H new ATOM 0 HG11 VAL A 431 -2.936 -6.953 4.654 1.00 51.55 H new ATOM 0 HG12 VAL A 431 -2.431 -6.488 6.296 1.00 51.55 H new ATOM 0 HG13 VAL A 431 -4.143 -6.836 5.956 1.00 51.55 H new ATOM 0 HG21 VAL A 431 -4.190 -5.427 3.251 1.00 34.35 H new ATOM 0 HG22 VAL A 431 -5.457 -5.202 4.481 1.00 34.35 H new ATOM 0 HG23 VAL A 431 -4.597 -3.791 3.819 1.00 34.35 H new ATOM 1073 N LEU A 432 -6.055 -3.422 6.943 1.00 44.35 N ATOM 1074 CA LEU A 432 -7.380 -3.542 7.383 1.00 53.42 C ATOM 1075 C LEU A 432 -8.274 -3.311 6.203 1.00 20.24 C ATOM 1076 O LEU A 432 -8.000 -2.448 5.381 1.00 53.25 O ATOM 1077 CB LEU A 432 -7.654 -2.541 8.505 1.00 42.03 C ATOM 1078 CG LEU A 432 -8.973 -2.710 9.251 1.00 72.15 C ATOM 1079 CD1 LEU A 432 -9.015 -4.076 9.924 1.00 13.45 C ATOM 1080 CD2 LEU A 432 -9.143 -1.604 10.278 1.00 61.23 C ATOM 0 H LEU A 432 -5.790 -2.480 6.657 1.00 44.35 H new ATOM 0 HA LEU A 432 -7.568 -4.535 7.791 1.00 53.42 H new ATOM 0 HB2 LEU A 432 -6.841 -2.606 9.228 1.00 42.03 H new ATOM 0 HB3 LEU A 432 -7.626 -1.537 8.082 1.00 42.03 H new ATOM 0 HG LEU A 432 -9.795 -2.645 8.538 1.00 72.15 H new ATOM 0 HD11 LEU A 432 -9.960 -4.191 10.455 1.00 13.45 H new ATOM 0 HD12 LEU A 432 -8.926 -4.857 9.169 1.00 13.45 H new ATOM 0 HD13 LEU A 432 -8.189 -4.159 10.630 1.00 13.45 H new ATOM 0 HD21 LEU A 432 -10.089 -1.737 10.803 1.00 61.23 H new ATOM 0 HD22 LEU A 432 -8.322 -1.643 10.994 1.00 61.23 H new ATOM 0 HD23 LEU A 432 -9.140 -0.637 9.775 1.00 61.23 H new ATOM 1088 N GLU A 433 -9.281 -4.085 6.073 1.00 25.13 N ATOM 1089 CA GLU A 433 -10.162 -3.955 4.961 1.00 64.22 C ATOM 1090 C GLU A 433 -11.137 -2.819 5.240 1.00 33.32 C ATOM 1091 O GLU A 433 -11.936 -2.886 6.164 1.00 1.23 O ATOM 1092 CB GLU A 433 -10.883 -5.274 4.737 1.00 21.33 C ATOM 1093 CG GLU A 433 -11.772 -5.316 3.522 1.00 73.42 C ATOM 1094 CD GLU A 433 -12.394 -6.668 3.352 1.00 45.11 C ATOM 1095 OE1 GLU A 433 -11.786 -7.534 2.693 1.00 25.54 O ATOM 1096 OE2 GLU A 433 -13.484 -6.902 3.895 1.00 11.44 O ATOM 0 H GLU A 433 -9.525 -4.828 6.728 1.00 25.13 H new ATOM 0 HA GLU A 433 -9.609 -3.718 4.052 1.00 64.22 H new ATOM 0 HB2 GLU A 433 -10.140 -6.067 4.652 1.00 21.33 H new ATOM 0 HB3 GLU A 433 -11.486 -5.495 5.618 1.00 21.33 H new ATOM 0 HG2 GLU A 433 -12.554 -4.562 3.614 1.00 73.42 H new ATOM 0 HG3 GLU A 433 -11.191 -5.066 2.634 1.00 73.42 H new ATOM 1103 N ALA A 434 -11.025 -1.766 4.443 1.00 71.11 N ATOM 1104 CA ALA A 434 -11.810 -0.556 4.623 1.00 62.55 C ATOM 1105 C ALA A 434 -13.231 -0.788 4.216 1.00 12.50 C ATOM 1106 O ALA A 434 -14.167 -0.316 4.860 1.00 42.41 O ATOM 1107 CB ALA A 434 -11.211 0.586 3.809 1.00 12.43 C ATOM 0 H ALA A 434 -10.384 -1.728 3.650 1.00 71.11 H new ATOM 0 HA ALA A 434 -11.791 -0.285 5.679 1.00 62.55 H new ATOM 0 HB1 ALA A 434 -11.808 1.487 3.952 1.00 12.43 H new ATOM 0 HB2 ALA A 434 -10.189 0.771 4.140 1.00 12.43 H new ATOM 0 HB3 ALA A 434 -11.207 0.317 2.753 1.00 12.43 H new ATOM 1113 N GLN A 435 -13.389 -1.511 3.146 1.00 11.14 N ATOM 1114 CA GLN A 435 -14.686 -1.844 2.625 1.00 1.52 C ATOM 1115 C GLN A 435 -14.718 -3.333 2.306 1.00 5.40 C ATOM 1116 O GLN A 435 -15.270 -4.127 3.058 1.00 43.42 O ATOM 1117 CB GLN A 435 -14.993 -1.000 1.375 1.00 53.43 C ATOM 1118 CG GLN A 435 -15.092 0.503 1.629 1.00 73.45 C ATOM 1119 CD GLN A 435 -15.330 1.298 0.363 1.00 31.05 C ATOM 1120 OE1 GLN A 435 -16.473 1.514 -0.044 1.00 32.34 O ATOM 1121 NE2 GLN A 435 -14.274 1.786 -0.238 1.00 60.32 N ATOM 0 H GLN A 435 -12.613 -1.891 2.603 1.00 11.14 H new ATOM 0 HA GLN A 435 -15.454 -1.622 3.366 1.00 1.52 H new ATOM 0 HB2 GLN A 435 -14.215 -1.179 0.632 1.00 53.43 H new ATOM 0 HB3 GLN A 435 -15.932 -1.344 0.942 1.00 53.43 H new ATOM 0 HG2 GLN A 435 -15.903 0.695 2.331 1.00 73.45 H new ATOM 0 HG3 GLN A 435 -14.173 0.848 2.102 1.00 73.45 H new ATOM 0 HE21 GLN A 435 -13.342 1.587 0.126 1.00 60.32 H new ATOM 0 HE22 GLN A 435 -14.383 2.365 -1.071 1.00 60.32 H new ATOM 1129 N LYS A 436 -14.119 -3.687 1.187 1.00 13.35 N ATOM 1130 CA LYS A 436 -13.924 -5.070 0.768 1.00 40.44 C ATOM 1131 C LYS A 436 -12.946 -5.142 -0.386 1.00 55.53 C ATOM 1132 O LYS A 436 -12.094 -6.017 -0.435 1.00 43.21 O ATOM 1133 CB LYS A 436 -15.234 -5.856 0.463 1.00 61.13 C ATOM 1134 CG LYS A 436 -16.183 -5.262 -0.591 1.00 12.11 C ATOM 1135 CD LYS A 436 -17.016 -4.073 -0.084 1.00 14.43 C ATOM 1136 CE LYS A 436 -18.166 -4.480 0.882 1.00 35.32 C ATOM 1137 NZ LYS A 436 -17.719 -5.114 2.152 1.00 40.31 N ATOM 0 H LYS A 436 -13.743 -3.009 0.524 1.00 13.35 H new ATOM 0 HA LYS A 436 -13.500 -5.581 1.632 1.00 40.44 H new ATOM 0 HB2 LYS A 436 -14.958 -6.860 0.141 1.00 61.13 H new ATOM 0 HB3 LYS A 436 -15.789 -5.962 1.395 1.00 61.13 H new ATOM 0 HG2 LYS A 436 -15.597 -4.941 -1.452 1.00 12.11 H new ATOM 0 HG3 LYS A 436 -16.859 -6.044 -0.938 1.00 12.11 H new ATOM 0 HD2 LYS A 436 -16.357 -3.371 0.426 1.00 14.43 H new ATOM 0 HD3 LYS A 436 -17.441 -3.548 -0.939 1.00 14.43 H new ATOM 0 HE2 LYS A 436 -18.751 -3.592 1.122 1.00 35.32 H new ATOM 0 HE3 LYS A 436 -18.831 -5.170 0.362 1.00 35.32 H new ATOM 0 HZ1 LYS A 436 -18.427 -4.941 2.894 1.00 40.31 H new ATOM 0 HZ2 LYS A 436 -17.610 -6.138 2.009 1.00 40.31 H new ATOM 0 HZ3 LYS A 436 -16.807 -4.706 2.441 1.00 40.31 H new ATOM 1151 N CYS A 437 -13.057 -4.200 -1.293 1.00 51.15 N ATOM 1152 CA CYS A 437 -12.143 -4.116 -2.423 1.00 31.22 C ATOM 1153 C CYS A 437 -11.097 -3.046 -2.154 1.00 61.25 C ATOM 1154 O CYS A 437 -10.155 -2.865 -2.910 1.00 73.02 O ATOM 1155 CB CYS A 437 -12.914 -3.773 -3.693 1.00 21.11 C ATOM 1156 SG CYS A 437 -14.271 -4.946 -4.109 1.00 21.32 S ATOM 0 H CYS A 437 -13.773 -3.474 -1.276 1.00 51.15 H new ATOM 0 HA CYS A 437 -11.650 -5.079 -2.556 1.00 31.22 H new ATOM 0 HB2 CYS A 437 -13.336 -2.773 -3.587 1.00 21.11 H new ATOM 0 HB3 CYS A 437 -12.214 -3.737 -4.528 1.00 21.11 H new ATOM 0 HG CYS A 437 -14.859 -4.559 -5.202 1.00 21.32 H new ATOM 1161 N GLU A 438 -11.271 -2.364 -1.061 1.00 32.41 N ATOM 1162 CA GLU A 438 -10.395 -1.306 -0.658 1.00 61.22 C ATOM 1163 C GLU A 438 -9.923 -1.558 0.756 1.00 43.34 C ATOM 1164 O GLU A 438 -10.712 -1.984 1.621 1.00 73.30 O ATOM 1165 CB GLU A 438 -11.078 0.052 -0.790 1.00 24.13 C ATOM 1166 CG GLU A 438 -10.246 1.208 -0.247 1.00 12.11 C ATOM 1167 CD GLU A 438 -10.913 2.543 -0.376 1.00 62.53 C ATOM 1168 OE1 GLU A 438 -11.695 2.910 0.527 1.00 74.10 O ATOM 1169 OE2 GLU A 438 -10.640 3.266 -1.366 1.00 23.35 O ATOM 0 H GLU A 438 -12.041 -2.531 -0.413 1.00 32.41 H new ATOM 0 HA GLU A 438 -9.527 -1.288 -1.317 1.00 61.22 H new ATOM 0 HB2 GLU A 438 -11.300 0.237 -1.841 1.00 24.13 H new ATOM 0 HB3 GLU A 438 -12.032 0.023 -0.263 1.00 24.13 H new ATOM 0 HG2 GLU A 438 -10.025 1.022 0.804 1.00 12.11 H new ATOM 0 HG3 GLU A 438 -9.292 1.236 -0.773 1.00 12.11 H new ATOM 1176 N TYR A 439 -8.650 -1.327 0.984 1.00 10.44 N ATOM 1177 CA TYR A 439 -8.012 -1.636 2.246 1.00 75.42 C ATOM 1178 C TYR A 439 -7.245 -0.422 2.769 1.00 43.13 C ATOM 1179 O TYR A 439 -6.788 0.407 1.991 1.00 34.05 O ATOM 1180 CB TYR A 439 -7.020 -2.793 2.011 1.00 15.11 C ATOM 1181 CG TYR A 439 -7.631 -3.964 1.266 1.00 34.03 C ATOM 1182 CD1 TYR A 439 -7.632 -3.991 -0.130 1.00 41.41 C ATOM 1183 CD2 TYR A 439 -8.224 -5.014 1.937 1.00 62.43 C ATOM 1184 CE1 TYR A 439 -8.204 -5.022 -0.817 1.00 53.34 C ATOM 1185 CE2 TYR A 439 -8.798 -6.061 1.246 1.00 12.21 C ATOM 1186 CZ TYR A 439 -8.784 -6.057 -0.133 1.00 4.44 C ATOM 1187 OH TYR A 439 -9.364 -7.085 -0.827 1.00 1.44 O ATOM 0 H TYR A 439 -8.022 -0.916 0.294 1.00 10.44 H new ATOM 0 HA TYR A 439 -8.769 -1.913 2.979 1.00 75.42 H new ATOM 0 HB2 TYR A 439 -6.164 -2.420 1.449 1.00 15.11 H new ATOM 0 HB3 TYR A 439 -6.643 -3.140 2.973 1.00 15.11 H new ATOM 0 HD1 TYR A 439 -7.172 -3.181 -0.676 1.00 41.41 H new ATOM 0 HD2 TYR A 439 -8.239 -5.016 3.017 1.00 62.43 H new ATOM 0 HE1 TYR A 439 -8.199 -5.022 -1.897 1.00 53.34 H new ATOM 0 HE2 TYR A 439 -9.256 -6.879 1.782 1.00 12.21 H new ATOM 0 HH TYR A 439 -10.336 -6.960 -0.845 1.00 1.44 H new ATOM 1197 N LEU A 440 -7.131 -0.311 4.068 1.00 4.14 N ATOM 1198 CA LEU A 440 -6.315 0.714 4.670 1.00 40.42 C ATOM 1199 C LEU A 440 -5.090 0.058 5.284 1.00 1.14 C ATOM 1200 O LEU A 440 -5.191 -0.764 6.208 1.00 12.22 O ATOM 1201 CB LEU A 440 -7.058 1.635 5.701 1.00 10.13 C ATOM 1202 CG LEU A 440 -7.681 1.004 6.970 1.00 73.04 C ATOM 1203 CD1 LEU A 440 -8.047 2.095 7.961 1.00 63.24 C ATOM 1204 CD2 LEU A 440 -8.935 0.236 6.633 1.00 13.14 C ATOM 0 H LEU A 440 -7.598 -0.925 4.736 1.00 4.14 H new ATOM 0 HA LEU A 440 -6.027 1.401 3.874 1.00 40.42 H new ATOM 0 HB2 LEU A 440 -6.351 2.398 6.028 1.00 10.13 H new ATOM 0 HB3 LEU A 440 -7.856 2.149 5.165 1.00 10.13 H new ATOM 0 HG LEU A 440 -6.944 0.325 7.400 1.00 73.04 H new ATOM 0 HD11 LEU A 440 -8.485 1.645 8.852 1.00 63.24 H new ATOM 0 HD12 LEU A 440 -7.151 2.650 8.238 1.00 63.24 H new ATOM 0 HD13 LEU A 440 -8.768 2.774 7.505 1.00 63.24 H new ATOM 0 HD21 LEU A 440 -9.352 -0.197 7.542 1.00 13.14 H new ATOM 0 HD22 LEU A 440 -9.665 0.910 6.184 1.00 13.14 H new ATOM 0 HD23 LEU A 440 -8.696 -0.561 5.929 1.00 13.14 H new ATOM 1212 N ILE A 441 -3.960 0.389 4.754 1.00 61.13 N ATOM 1213 CA ILE A 441 -2.701 -0.190 5.144 1.00 34.13 C ATOM 1214 C ILE A 441 -1.817 0.878 5.767 1.00 24.51 C ATOM 1215 O ILE A 441 -1.600 1.937 5.182 1.00 52.11 O ATOM 1216 CB ILE A 441 -2.004 -0.788 3.893 1.00 21.03 C ATOM 1217 CG1 ILE A 441 -2.820 -1.956 3.340 1.00 1.23 C ATOM 1218 CG2 ILE A 441 -0.569 -1.219 4.193 1.00 52.24 C ATOM 1219 CD1 ILE A 441 -2.381 -2.444 1.977 1.00 14.11 C ATOM 0 H ILE A 441 -3.876 1.088 4.016 1.00 61.13 H new ATOM 0 HA ILE A 441 -2.872 -0.979 5.876 1.00 34.13 H new ATOM 0 HB ILE A 441 -1.952 -0.006 3.135 1.00 21.03 H new ATOM 0 HG12 ILE A 441 -2.764 -2.786 4.044 1.00 1.23 H new ATOM 0 HG13 ILE A 441 -3.866 -1.656 3.284 1.00 1.23 H new ATOM 0 HG21 ILE A 441 -0.117 -1.632 3.291 1.00 52.24 H new ATOM 0 HG22 ILE A 441 0.008 -0.356 4.526 1.00 52.24 H new ATOM 0 HG23 ILE A 441 -0.573 -1.977 4.977 1.00 52.24 H new ATOM 0 HD11 ILE A 441 -3.016 -3.273 1.665 1.00 14.11 H new ATOM 0 HD12 ILE A 441 -2.465 -1.632 1.255 1.00 14.11 H new ATOM 0 HD13 ILE A 441 -1.345 -2.779 2.027 1.00 14.11 H new ATOM 1226 N LYS A 442 -1.330 0.625 6.946 1.00 72.02 N ATOM 1227 CA LYS A 442 -0.469 1.564 7.585 1.00 75.01 C ATOM 1228 C LYS A 442 0.953 1.065 7.472 1.00 5.15 C ATOM 1229 O LYS A 442 1.195 -0.142 7.532 1.00 75.23 O ATOM 1230 CB LYS A 442 -0.906 1.803 9.034 1.00 22.25 C ATOM 1231 CG LYS A 442 -0.112 2.875 9.769 1.00 44.35 C ATOM 1232 CD LYS A 442 -0.749 3.222 11.108 1.00 75.31 C ATOM 1233 CE LYS A 442 -0.825 2.025 12.036 1.00 14.53 C ATOM 1234 NZ LYS A 442 -1.483 2.364 13.312 1.00 54.12 N ATOM 0 H LYS A 442 -1.516 -0.224 7.481 1.00 72.02 H new ATOM 0 HA LYS A 442 -0.529 2.535 7.093 1.00 75.01 H new ATOM 0 HB2 LYS A 442 -1.960 2.082 9.040 1.00 22.25 H new ATOM 0 HB3 LYS A 442 -0.821 0.866 9.584 1.00 22.25 H new ATOM 0 HG2 LYS A 442 0.909 2.527 9.930 1.00 44.35 H new ATOM 0 HG3 LYS A 442 -0.050 3.771 9.151 1.00 44.35 H new ATOM 0 HD2 LYS A 442 -0.174 4.014 11.587 1.00 75.31 H new ATOM 0 HD3 LYS A 442 -1.752 3.613 10.940 1.00 75.31 H new ATOM 0 HE2 LYS A 442 -1.373 1.220 11.547 1.00 14.53 H new ATOM 0 HE3 LYS A 442 0.180 1.653 12.233 1.00 14.53 H new ATOM 0 HZ1 LYS A 442 -1.516 1.521 13.920 1.00 54.12 H new ATOM 0 HZ2 LYS A 442 -0.946 3.115 13.791 1.00 54.12 H new ATOM 0 HZ3 LYS A 442 -2.451 2.695 13.126 1.00 54.12 H new ATOM 1248 N MET A 443 1.875 1.962 7.255 1.00 24.11 N ATOM 1249 CA MET A 443 3.255 1.624 7.053 1.00 5.12 C ATOM 1250 C MET A 443 4.114 2.554 7.823 1.00 13.02 C ATOM 1251 O MET A 443 3.640 3.558 8.353 1.00 4.10 O ATOM 1252 CB MET A 443 3.665 1.714 5.578 1.00 14.41 C ATOM 1253 CG MET A 443 3.016 0.712 4.655 1.00 31.52 C ATOM 1254 SD MET A 443 3.650 0.827 2.968 1.00 15.23 S ATOM 1255 CE MET A 443 5.404 0.547 3.239 1.00 50.43 C ATOM 0 H MET A 443 1.685 2.963 7.213 1.00 24.11 H new ATOM 0 HA MET A 443 3.383 0.595 7.389 1.00 5.12 H new ATOM 0 HB2 MET A 443 3.434 2.716 5.216 1.00 14.41 H new ATOM 0 HB3 MET A 443 4.746 1.593 5.513 1.00 14.41 H new ATOM 0 HG2 MET A 443 3.186 -0.295 5.037 1.00 31.52 H new ATOM 0 HG3 MET A 443 1.938 0.872 4.648 1.00 31.52 H new ATOM 0 HE1 MET A 443 5.840 0.086 2.353 1.00 50.43 H new ATOM 0 HE2 MET A 443 5.899 1.499 3.434 1.00 50.43 H new ATOM 0 HE3 MET A 443 5.539 -0.114 4.095 1.00 50.43 H new ATOM 1265 N LYS A 444 5.360 2.227 7.908 1.00 70.15 N ATOM 1266 CA LYS A 444 6.321 3.074 8.539 1.00 73.31 C ATOM 1267 C LYS A 444 7.501 3.195 7.631 1.00 55.24 C ATOM 1268 O LYS A 444 7.706 2.350 6.753 1.00 13.20 O ATOM 1269 CB LYS A 444 6.780 2.514 9.864 1.00 24.14 C ATOM 1270 CG LYS A 444 5.688 2.224 10.823 1.00 54.02 C ATOM 1271 CD LYS A 444 5.180 3.482 11.440 1.00 25.22 C ATOM 1272 CE LYS A 444 4.053 3.163 12.356 1.00 72.14 C ATOM 1273 NZ LYS A 444 3.498 4.335 13.066 1.00 2.11 N ATOM 0 H LYS A 444 5.745 1.358 7.539 1.00 70.15 H new ATOM 0 HA LYS A 444 5.859 4.043 8.728 1.00 73.31 H new ATOM 0 HB2 LYS A 444 7.339 1.596 9.682 1.00 24.14 H new ATOM 0 HB3 LYS A 444 7.470 3.222 10.323 1.00 24.14 H new ATOM 0 HG2 LYS A 444 4.875 1.710 10.311 1.00 54.02 H new ATOM 0 HG3 LYS A 444 6.050 1.552 11.601 1.00 54.02 H new ATOM 0 HD2 LYS A 444 5.980 3.979 11.989 1.00 25.22 H new ATOM 0 HD3 LYS A 444 4.848 4.172 10.664 1.00 25.22 H new ATOM 0 HE2 LYS A 444 3.256 2.689 11.782 1.00 72.14 H new ATOM 0 HE3 LYS A 444 4.393 2.434 13.092 1.00 72.14 H new ATOM 0 HZ1 LYS A 444 3.358 4.099 14.069 1.00 2.11 H new ATOM 0 HZ2 LYS A 444 4.159 5.134 12.987 1.00 2.11 H new ATOM 0 HZ3 LYS A 444 2.586 4.598 12.642 1.00 2.11 H new ATOM 1287 N SER A 445 8.245 4.226 7.832 1.00 71.32 N ATOM 1288 CA SER A 445 9.438 4.513 7.057 1.00 43.14 C ATOM 1289 C SER A 445 10.154 5.703 7.682 1.00 41.30 C ATOM 1290 O SER A 445 9.503 6.588 8.246 1.00 52.13 O ATOM 1291 CB SER A 445 9.070 4.826 5.570 1.00 40.32 C ATOM 1292 OG SER A 445 10.222 5.108 4.783 1.00 20.01 O ATOM 0 H SER A 445 8.050 4.920 8.554 1.00 71.32 H new ATOM 0 HA SER A 445 10.092 3.641 7.064 1.00 43.14 H new ATOM 0 HB2 SER A 445 8.538 3.977 5.142 1.00 40.32 H new ATOM 0 HB3 SER A 445 8.391 5.678 5.536 1.00 40.32 H new ATOM 0 HG SER A 445 9.950 5.297 3.861 1.00 20.01 H new ATOM 1298 N PRO A 446 11.496 5.747 7.629 1.00 63.14 N ATOM 1299 CA PRO A 446 12.257 6.891 8.130 1.00 33.24 C ATOM 1300 C PRO A 446 11.948 8.144 7.311 1.00 20.23 C ATOM 1301 O PRO A 446 12.072 9.261 7.797 1.00 21.13 O ATOM 1302 CB PRO A 446 13.723 6.473 7.948 1.00 61.52 C ATOM 1303 CG PRO A 446 13.689 5.391 6.926 1.00 52.51 C ATOM 1304 CD PRO A 446 12.381 4.685 7.112 1.00 23.30 C ATOM 0 HA PRO A 446 12.016 7.135 9.165 1.00 33.24 H new ATOM 0 HB2 PRO A 446 14.334 7.312 7.615 1.00 61.52 H new ATOM 0 HB3 PRO A 446 14.152 6.118 8.885 1.00 61.52 H new ATOM 0 HG2 PRO A 446 13.770 5.803 5.920 1.00 52.51 H new ATOM 0 HG3 PRO A 446 14.525 4.704 7.058 1.00 52.51 H new ATOM 0 HD2 PRO A 446 12.009 4.272 6.174 1.00 23.30 H new ATOM 0 HD3 PRO A 446 12.467 3.855 7.814 1.00 23.30 H new ATOM 1312 N ALA A 447 11.496 7.925 6.086 1.00 64.02 N ATOM 1313 CA ALA A 447 11.149 8.985 5.157 1.00 23.51 C ATOM 1314 C ALA A 447 9.910 9.742 5.626 1.00 72.23 C ATOM 1315 O ALA A 447 9.731 10.923 5.334 1.00 10.14 O ATOM 1316 CB ALA A 447 10.916 8.386 3.787 1.00 31.22 C ATOM 0 H ALA A 447 11.358 6.989 5.705 1.00 64.02 H new ATOM 0 HA ALA A 447 11.972 9.698 5.109 1.00 23.51 H new ATOM 0 HB1 ALA A 447 10.655 9.177 3.084 1.00 31.22 H new ATOM 0 HB2 ALA A 447 11.824 7.886 3.450 1.00 31.22 H new ATOM 0 HB3 ALA A 447 10.101 7.664 3.839 1.00 31.22 H new ATOM 1322 N ALA A 448 9.068 9.068 6.379 1.00 52.31 N ATOM 1323 CA ALA A 448 7.861 9.683 6.887 1.00 43.43 C ATOM 1324 C ALA A 448 8.079 10.137 8.305 1.00 62.10 C ATOM 1325 O ALA A 448 7.139 10.466 9.022 1.00 10.42 O ATOM 1326 CB ALA A 448 6.714 8.709 6.838 1.00 0.13 C ATOM 0 H ALA A 448 9.197 8.094 6.653 1.00 52.31 H new ATOM 0 HA ALA A 448 7.618 10.543 6.263 1.00 43.43 H new ATOM 0 HB1 ALA A 448 5.814 9.187 7.224 1.00 0.13 H new ATOM 0 HB2 ALA A 448 6.546 8.396 5.807 1.00 0.13 H new ATOM 0 HB3 ALA A 448 6.951 7.837 7.447 1.00 0.13 H new