USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 872 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 401 ASN : amide:sc= -0.405 K(o=0.23,f=-6.9!) USER MOD Set 1.2: A 417 LYS NZ :NH3+ -166:sc= 0.638 (180deg=-1.01) USER MOD Set 2.1: A 387 TYR OH : rot -97:sc= -0.0861 USER MOD Set 2.2: A 390 MET CE :methyl -158:sc= -5.13! (180deg=-5.3!) USER MOD Set 3.1: A 386 THR OG1 : rot 20:sc= 0.953 USER MOD Set 3.2: A 389 LYS NZ :NH3+ 177:sc= 0.982 (180deg=0) USER MOD Set 4.1: A 342 TYR OH : rot 180:sc= 0.757 USER MOD Set 4.2: A 362 LYS NZ :NH3+ -160:sc= 0.852 (180deg=0) USER MOD Single : A 340 TYR OH : rot 30:sc= -1.69! USER MOD Single : A 343 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 346 SER OG : rot -40:sc= 0.105 USER MOD Single : A 348 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 350 TYR OH : rot 150:sc= 1.12 USER MOD Single : A 352 ASN : amide:sc= 0.579 K(o=0.58,f=-0.19) USER MOD Single : A 359 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 SER OG : rot 84:sc= 0.925 USER MOD Single : A 370 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 379 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -172:sc= 1.12 (180deg=0.964) USER MOD Single : A 381 ASN : amide:sc= -0.174 K(o=-0.17,f=-1) USER MOD Single : A 391 SER OG : rot -27:sc= 0.592 USER MOD Single : A 396 HIS : no HE2:sc= -0.717 K(o=-0.72,f=-1.9) USER MOD Single : A 397 TYR OH : rot 22:sc= -3.38! USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 LYS NZ :NH3+ -165:sc= -0.0122 (180deg=-0.202) USER MOD Single : A 405 LYS NZ :NH3+ -124:sc= 0.391 (180deg=0.328) USER MOD Single : A 409 GLN : amide:sc= -0.0238 K(o=-0.024,f=0.48) USER MOD Single : A 416 MET CE :methyl 160:sc= -0.0984 (180deg=-0.635) USER MOD Single : A 418 THR OG1 : rot -57:sc= 0.468 USER MOD Single : A 423 MET CE :methyl -114:sc= -0.0038 (180deg=-1.81!) USER MOD Single : A 424 SER OG : rot -48:sc= 0.181 USER MOD Single : A 427 THR OG1 : rot 99:sc= 1.08 USER MOD Single : A 432 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -2.501 7.207 -5.769 1.00 1.08 N ATOM 81 CA LEU A 336 -1.691 6.793 -4.643 1.00 0.60 C ATOM 82 C LEU A 336 -1.848 5.299 -4.391 1.00 0.50 C ATOM 83 O LEU A 336 -2.517 4.600 -5.157 1.00 0.62 O ATOM 84 CB LEU A 336 -2.121 7.587 -3.409 1.00 0.36 C ATOM 85 CG LEU A 336 -1.971 9.109 -3.511 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.507 9.780 -2.262 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.524 9.502 -3.728 1.00 0.39 C ATOM 0 HA LEU A 336 -0.641 6.988 -4.860 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.165 7.357 -3.198 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -1.539 7.240 -2.555 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.551 9.444 -4.371 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.392 10.860 -2.352 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.562 9.536 -2.142 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -1.952 9.427 -1.393 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.448 10.587 -3.797 1.00 0.39 H new ATOM 0 HD22 LEU A 336 0.079 9.148 -2.891 1.00 0.39 H new ATOM 0 HD23 LEU A 336 -0.160 9.054 -4.652 1.00 0.39 H new ATOM 99 N LEU A 337 -1.241 4.817 -3.316 1.00 0.39 N ATOM 100 CA LEU A 337 -1.330 3.412 -2.945 1.00 0.30 C ATOM 101 C LEU A 337 -2.783 2.959 -2.867 1.00 0.26 C ATOM 102 O LEU A 337 -3.148 1.956 -3.478 1.00 0.25 O ATOM 103 CB LEU A 337 -0.614 3.174 -1.610 1.00 0.32 C ATOM 104 CG LEU A 337 -1.054 1.944 -0.809 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.722 0.663 -1.544 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.400 1.951 0.561 1.00 0.39 C ATOM 0 H LEU A 337 -0.678 5.383 -2.681 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.838 2.819 -3.716 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.455 3.089 -1.806 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.754 4.056 -0.985 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.136 1.989 -0.687 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.046 -0.192 -0.950 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.235 0.652 -2.506 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.354 0.605 -1.706 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.720 1.072 1.121 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.684 1.934 0.447 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.694 2.852 1.100 1.00 0.39 H new ATOM 118 N TRP A 338 -3.613 3.720 -2.154 1.00 0.25 N ATOM 119 CA TRP A 338 -5.016 3.348 -1.965 1.00 0.24 C ATOM 120 C TRP A 338 -5.780 3.276 -3.287 1.00 0.24 C ATOM 121 O TRP A 338 -6.743 2.527 -3.401 1.00 0.24 O ATOM 122 CB TRP A 338 -5.732 4.281 -0.974 1.00 0.24 C ATOM 123 CG TRP A 338 -5.495 5.747 -1.197 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.752 6.576 -0.414 1.00 0.20 C ATOM 125 CD2 TRP A 338 -6.010 6.561 -2.257 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.762 7.844 -0.923 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.524 7.861 -2.058 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.824 6.314 -3.358 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.828 8.909 -2.919 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -7.125 7.356 -4.211 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.625 8.637 -3.989 1.00 0.28 C ATOM 0 H TRP A 338 -3.341 4.592 -1.700 1.00 0.25 H new ATOM 0 HA TRP A 338 -5.008 2.347 -1.535 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.804 4.089 -1.028 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.413 4.026 0.037 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.229 6.275 0.482 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.279 8.648 -0.521 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.214 5.324 -3.542 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.446 9.904 -2.745 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.760 7.175 -5.066 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.874 9.430 -4.679 1.00 0.28 H new ATOM 142 N ASP A 339 -5.348 4.035 -4.286 1.00 0.25 N ATOM 143 CA ASP A 339 -6.021 4.029 -5.583 1.00 0.27 C ATOM 144 C ASP A 339 -5.633 2.782 -6.347 1.00 0.26 C ATOM 145 O ASP A 339 -6.476 2.121 -6.948 1.00 0.33 O ATOM 146 CB ASP A 339 -5.681 5.286 -6.393 1.00 0.36 C ATOM 147 CG ASP A 339 -6.239 5.252 -7.806 1.00 1.00 C ATOM 148 OD1 ASP A 339 -7.451 5.480 -7.977 1.00 1.80 O ATOM 149 OD2 ASP A 339 -5.463 4.993 -8.753 1.00 1.19 O ATOM 0 H ASP A 339 -4.542 4.658 -4.227 1.00 0.25 H new ATOM 0 HA ASP A 339 -7.098 4.029 -5.416 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -6.072 6.162 -5.875 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.598 5.400 -6.439 1.00 0.36 H new ATOM 154 N TYR A 340 -4.354 2.450 -6.275 1.00 0.22 N ATOM 155 CA TYR A 340 -3.823 1.268 -6.923 1.00 0.20 C ATOM 156 C TYR A 340 -4.422 -0.003 -6.318 1.00 0.17 C ATOM 157 O TYR A 340 -4.888 -0.884 -7.036 1.00 0.17 O ATOM 158 CB TYR A 340 -2.299 1.246 -6.792 1.00 0.21 C ATOM 159 CG TYR A 340 -1.662 0.054 -7.452 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.475 0.018 -8.824 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.257 -1.039 -6.699 1.00 0.17 C ATOM 162 CE1 TYR A 340 -0.902 -1.076 -9.433 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.679 -2.137 -7.300 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.505 -2.150 -8.670 1.00 0.24 C ATOM 165 OH TYR A 340 0.060 -3.240 -9.283 1.00 0.28 O ATOM 0 H TYR A 340 -3.658 2.994 -5.765 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.094 1.301 -7.978 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.890 2.157 -7.230 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -2.032 1.253 -5.735 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -1.783 0.861 -9.425 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.396 -1.029 -5.628 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -0.765 -1.091 -10.504 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.365 -2.981 -6.704 1.00 0.18 H new ATOM 0 HH TYR A 340 0.533 -2.952 -10.092 1.00 0.28 H new ATOM 175 N VAL A 341 -4.410 -0.086 -4.992 1.00 0.17 N ATOM 176 CA VAL A 341 -4.932 -1.258 -4.295 1.00 0.15 C ATOM 177 C VAL A 341 -6.441 -1.396 -4.499 1.00 0.15 C ATOM 178 O VAL A 341 -6.949 -2.496 -4.725 1.00 0.15 O ATOM 179 CB VAL A 341 -4.593 -1.217 -2.784 1.00 0.16 C ATOM 180 CG1 VAL A 341 -5.000 0.105 -2.162 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.258 -2.365 -2.042 1.00 0.15 C ATOM 0 H VAL A 341 -4.045 0.643 -4.378 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.446 -2.133 -4.727 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.512 -1.322 -2.694 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.748 0.101 -1.101 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.470 0.919 -2.658 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.074 0.247 -2.279 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.002 -2.311 -0.984 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.340 -2.295 -2.158 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -4.909 -3.313 -2.451 1.00 0.15 H new ATOM 191 N TYR A 342 -7.149 -0.276 -4.449 1.00 0.17 N ATOM 192 CA TYR A 342 -8.588 -0.270 -4.675 1.00 0.17 C ATOM 193 C TYR A 342 -8.881 -0.674 -6.119 1.00 0.17 C ATOM 194 O TYR A 342 -9.897 -1.304 -6.415 1.00 0.18 O ATOM 195 CB TYR A 342 -9.156 1.122 -4.372 1.00 0.20 C ATOM 196 CG TYR A 342 -10.659 1.187 -4.259 1.00 0.31 C ATOM 197 CD1 TYR A 342 -11.319 0.643 -3.166 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.417 1.807 -5.241 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.691 0.711 -3.056 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.789 1.882 -5.139 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.424 1.332 -4.044 1.00 0.71 C ATOM 202 OH TYR A 342 -14.797 1.399 -3.939 1.00 0.92 O ATOM 0 H TYR A 342 -6.749 0.642 -4.254 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.066 -0.988 -4.009 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.721 1.480 -3.439 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.836 1.807 -5.157 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -10.748 0.158 -2.388 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -10.924 2.238 -6.100 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -13.189 0.280 -2.200 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -13.365 2.369 -5.912 1.00 0.62 H new ATOM 0 HH TYR A 342 -15.162 1.870 -4.717 1.00 0.92 H new ATOM 212 N GLN A 343 -7.958 -0.316 -7.005 1.00 0.18 N ATOM 213 CA GLN A 343 -8.059 -0.648 -8.417 1.00 0.19 C ATOM 214 C GLN A 343 -7.853 -2.148 -8.636 1.00 0.18 C ATOM 215 O GLN A 343 -8.456 -2.739 -9.533 1.00 0.23 O ATOM 216 CB GLN A 343 -7.023 0.151 -9.208 1.00 0.26 C ATOM 217 CG GLN A 343 -7.194 0.082 -10.713 1.00 0.71 C ATOM 218 CD GLN A 343 -6.157 0.905 -11.446 1.00 1.41 C ATOM 219 OE1 GLN A 343 -5.093 0.403 -11.805 1.00 2.07 O ATOM 220 NE2 GLN A 343 -6.449 2.178 -11.654 1.00 2.22 N ATOM 0 H GLN A 343 -7.120 0.212 -6.762 1.00 0.18 H new ATOM 0 HA GLN A 343 -9.057 -0.388 -8.769 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -7.072 1.194 -8.897 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -6.028 -0.212 -8.951 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -7.126 -0.956 -11.037 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -8.190 0.435 -10.980 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -7.344 2.554 -11.340 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -5.780 2.784 -12.129 1.00 2.22 H new ATOM 229 N LEU A 344 -7.014 -2.760 -7.799 1.00 0.16 N ATOM 230 CA LEU A 344 -6.758 -4.195 -7.877 1.00 0.15 C ATOM 231 C LEU A 344 -8.016 -4.938 -7.479 1.00 0.17 C ATOM 232 O LEU A 344 -8.392 -5.935 -8.090 1.00 0.24 O ATOM 233 CB LEU A 344 -5.617 -4.601 -6.940 1.00 0.15 C ATOM 234 CG LEU A 344 -4.266 -3.940 -7.200 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.274 -4.363 -6.131 1.00 0.13 C ATOM 236 CD2 LEU A 344 -3.742 -4.303 -8.581 1.00 0.19 C ATOM 0 H LEU A 344 -6.500 -2.282 -7.059 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.471 -4.445 -8.898 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -5.917 -4.376 -5.917 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.488 -5.681 -7.005 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.394 -2.858 -7.162 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.311 -3.889 -6.320 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.642 -4.058 -5.152 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.156 -5.446 -6.153 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -2.778 -3.820 -8.743 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.623 -5.384 -8.652 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.449 -3.965 -9.339 1.00 0.19 H new ATOM 248 N LEU A 345 -8.664 -4.409 -6.448 1.00 0.18 N ATOM 249 CA LEU A 345 -9.906 -4.952 -5.927 1.00 0.20 C ATOM 250 C LEU A 345 -11.007 -4.982 -6.982 1.00 0.25 C ATOM 251 O LEU A 345 -11.980 -5.727 -6.861 1.00 0.36 O ATOM 252 CB LEU A 345 -10.369 -4.106 -4.744 1.00 0.17 C ATOM 253 CG LEU A 345 -9.523 -4.233 -3.486 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.819 -3.099 -2.523 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.774 -5.572 -2.820 1.00 0.15 C ATOM 0 H LEU A 345 -8.336 -3.583 -5.947 1.00 0.18 H new ATOM 0 HA LEU A 345 -9.714 -5.979 -5.616 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.382 -3.060 -5.049 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.396 -4.380 -4.501 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.472 -4.173 -3.769 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.203 -3.210 -1.630 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.595 -2.146 -3.003 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -10.872 -3.125 -2.243 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.163 -5.651 -1.921 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.827 -5.653 -2.551 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.512 -6.376 -3.508 1.00 0.15 H new ATOM 267 N SER A 346 -10.858 -4.161 -8.008 1.00 0.28 N ATOM 268 CA SER A 346 -11.879 -4.035 -9.028 1.00 0.35 C ATOM 269 C SER A 346 -11.691 -5.074 -10.137 1.00 0.36 C ATOM 270 O SER A 346 -12.571 -5.251 -10.983 1.00 0.54 O ATOM 271 CB SER A 346 -11.853 -2.616 -9.600 1.00 0.46 C ATOM 272 OG SER A 346 -12.971 -2.366 -10.438 1.00 1.06 O ATOM 0 H SER A 346 -10.038 -3.572 -8.155 1.00 0.28 H new ATOM 0 HA SER A 346 -12.852 -4.222 -8.574 1.00 0.35 H new ATOM 0 HB2 SER A 346 -11.842 -1.895 -8.783 1.00 0.46 H new ATOM 0 HB3 SER A 346 -10.934 -2.469 -10.167 1.00 0.46 H new ATOM 0 HG SER A 346 -13.157 -3.160 -10.981 1.00 1.06 H new ATOM 278 N ASP A 347 -10.565 -5.783 -10.118 1.00 0.32 N ATOM 279 CA ASP A 347 -10.258 -6.734 -11.180 1.00 0.34 C ATOM 280 C ASP A 347 -10.009 -8.128 -10.621 1.00 0.34 C ATOM 281 O ASP A 347 -9.327 -8.294 -9.613 1.00 0.43 O ATOM 282 CB ASP A 347 -9.033 -6.287 -11.970 1.00 0.41 C ATOM 283 CG ASP A 347 -9.173 -6.600 -13.445 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.639 -7.708 -13.783 1.00 0.99 O ATOM 285 OD2 ASP A 347 -8.811 -5.745 -14.277 1.00 1.18 O ATOM 0 H ASP A 347 -9.857 -5.718 -9.386 1.00 0.32 H new ATOM 0 HA ASP A 347 -11.124 -6.768 -11.841 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.886 -5.215 -11.838 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -8.145 -6.782 -11.576 1.00 0.41 H new ATOM 290 N SER A 348 -10.551 -9.129 -11.300 1.00 0.40 N ATOM 291 CA SER A 348 -10.454 -10.512 -10.865 1.00 0.43 C ATOM 292 C SER A 348 -9.065 -11.114 -11.109 1.00 0.35 C ATOM 293 O SER A 348 -8.795 -12.238 -10.685 1.00 0.40 O ATOM 294 CB SER A 348 -11.526 -11.331 -11.577 1.00 0.59 C ATOM 295 OG SER A 348 -11.580 -11.003 -12.957 1.00 0.79 O ATOM 0 H SER A 348 -11.071 -9.003 -12.169 1.00 0.40 H new ATOM 0 HA SER A 348 -10.613 -10.538 -9.787 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.315 -12.394 -11.460 1.00 0.59 H new ATOM 0 HB3 SER A 348 -12.497 -11.146 -11.117 1.00 0.59 H new ATOM 0 HG SER A 348 -12.273 -11.541 -13.394 1.00 0.79 H new ATOM 301 N ARG A 349 -8.188 -10.380 -11.796 1.00 0.34 N ATOM 302 CA ARG A 349 -6.836 -10.868 -12.053 1.00 0.37 C ATOM 303 C ARG A 349 -6.127 -11.141 -10.737 1.00 0.31 C ATOM 304 O ARG A 349 -5.576 -12.217 -10.507 1.00 0.42 O ATOM 305 CB ARG A 349 -6.019 -9.844 -12.843 1.00 0.45 C ATOM 306 CG ARG A 349 -6.846 -8.887 -13.674 1.00 0.71 C ATOM 307 CD ARG A 349 -6.060 -8.344 -14.847 1.00 1.07 C ATOM 308 NE ARG A 349 -4.835 -7.649 -14.465 1.00 1.86 N ATOM 309 CZ ARG A 349 -3.673 -7.779 -15.117 1.00 2.54 C ATOM 310 NH1 ARG A 349 -3.592 -8.539 -16.203 1.00 2.75 N ATOM 311 NH2 ARG A 349 -2.604 -7.122 -14.693 1.00 3.43 N ATOM 0 H ARG A 349 -8.388 -9.456 -12.180 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.919 -11.784 -12.638 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.411 -9.268 -12.146 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -5.332 -10.376 -13.501 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -7.738 -9.398 -14.038 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.185 -8.061 -13.049 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -5.806 -9.167 -15.515 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -6.694 -7.660 -15.411 1.00 1.07 H new ATOM 0 HE ARG A 349 -4.866 -7.029 -13.656 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -4.419 -9.029 -16.546 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -2.703 -8.633 -16.694 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -2.668 -6.520 -13.872 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -1.717 -7.218 -15.187 1.00 3.43 H new ATOM 325 N TYR A 350 -6.178 -10.146 -9.871 1.00 0.26 N ATOM 326 CA TYR A 350 -5.464 -10.153 -8.610 1.00 0.30 C ATOM 327 C TYR A 350 -6.259 -10.812 -7.488 1.00 0.24 C ATOM 328 O TYR A 350 -6.002 -10.534 -6.331 1.00 0.25 O ATOM 329 CB TYR A 350 -5.152 -8.707 -8.226 1.00 0.40 C ATOM 330 CG TYR A 350 -4.747 -7.873 -9.413 1.00 0.47 C ATOM 331 CD1 TYR A 350 -5.697 -7.195 -10.174 1.00 0.52 C ATOM 332 CD2 TYR A 350 -3.422 -7.795 -9.796 1.00 0.54 C ATOM 333 CE1 TYR A 350 -5.323 -6.458 -11.279 1.00 0.60 C ATOM 334 CE2 TYR A 350 -3.046 -7.057 -10.895 1.00 0.61 C ATOM 335 CZ TYR A 350 -3.996 -6.392 -11.631 1.00 0.63 C ATOM 336 OH TYR A 350 -3.617 -5.651 -12.724 1.00 0.72 O ATOM 0 H TYR A 350 -6.724 -9.299 -10.027 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.553 -10.737 -8.741 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -6.028 -8.262 -7.754 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.351 -8.695 -7.487 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -6.739 -7.247 -9.896 1.00 0.52 H new ATOM 0 HD2 TYR A 350 -2.671 -8.320 -9.225 1.00 0.54 H new ATOM 0 HE1 TYR A 350 -6.067 -5.937 -11.863 1.00 0.60 H new ATOM 0 HE2 TYR A 350 -2.005 -7.001 -11.178 1.00 0.61 H new ATOM 0 HH TYR A 350 -2.711 -5.305 -12.586 1.00 0.72 H new ATOM 346 N GLU A 351 -7.202 -11.692 -7.812 1.00 0.22 N ATOM 347 CA GLU A 351 -8.048 -12.299 -6.777 1.00 0.23 C ATOM 348 C GLU A 351 -7.224 -13.130 -5.790 1.00 0.21 C ATOM 349 O GLU A 351 -7.613 -13.308 -4.635 1.00 0.25 O ATOM 350 CB GLU A 351 -9.144 -13.173 -7.389 1.00 0.31 C ATOM 351 CG GLU A 351 -8.624 -14.401 -8.110 1.00 0.36 C ATOM 352 CD GLU A 351 -9.681 -15.472 -8.240 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.445 -15.433 -9.229 1.00 1.22 O ATOM 354 OE2 GLU A 351 -9.747 -16.361 -7.368 1.00 1.45 O ATOM 0 H GLU A 351 -7.401 -12.000 -8.764 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.515 -11.476 -6.236 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.825 -13.490 -6.599 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.725 -12.572 -8.089 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -8.272 -14.117 -9.102 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -7.766 -14.802 -7.570 1.00 0.36 H new ATOM 361 N ASN A 352 -6.089 -13.645 -6.253 1.00 0.22 N ATOM 362 CA ASN A 352 -5.197 -14.429 -5.410 1.00 0.24 C ATOM 363 C ASN A 352 -4.185 -13.507 -4.734 1.00 0.19 C ATOM 364 O ASN A 352 -3.344 -13.943 -3.952 1.00 0.21 O ATOM 365 CB ASN A 352 -4.483 -15.492 -6.240 1.00 0.32 C ATOM 366 CG ASN A 352 -4.096 -16.732 -5.445 1.00 0.62 C ATOM 367 OD1 ASN A 352 -4.085 -17.841 -5.979 1.00 1.06 O ATOM 368 ND2 ASN A 352 -3.759 -16.563 -4.179 1.00 1.06 N ATOM 0 H ASN A 352 -5.765 -13.532 -7.214 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.783 -14.933 -4.641 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -5.128 -15.788 -7.067 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.584 -15.056 -6.677 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.479 -17.365 -3.614 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -3.779 -15.630 -3.766 1.00 1.06 H new ATOM 375 N PHE A 353 -4.275 -12.226 -5.051 1.00 0.16 N ATOM 376 CA PHE A 353 -3.423 -11.216 -4.443 1.00 0.14 C ATOM 377 C PHE A 353 -4.232 -10.395 -3.449 1.00 0.12 C ATOM 378 O PHE A 353 -3.777 -10.096 -2.347 1.00 0.11 O ATOM 379 CB PHE A 353 -2.835 -10.286 -5.511 1.00 0.16 C ATOM 380 CG PHE A 353 -1.891 -10.955 -6.470 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.368 -11.721 -7.524 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.521 -10.806 -6.325 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.498 -12.326 -8.409 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.353 -11.406 -7.209 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.135 -12.169 -8.252 1.00 0.29 C ATOM 0 H PHE A 353 -4.937 -11.858 -5.734 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.605 -11.720 -3.928 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.653 -9.841 -6.077 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.310 -9.470 -5.015 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.433 -11.846 -7.654 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.132 -10.213 -5.510 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -1.883 -12.922 -9.223 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.418 -11.279 -7.085 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.548 -12.641 -8.943 1.00 0.29 H new ATOM 395 N ILE A 354 -5.434 -10.030 -3.861 1.00 0.11 N ATOM 396 CA ILE A 354 -6.330 -9.234 -3.049 1.00 0.11 C ATOM 397 C ILE A 354 -7.775 -9.448 -3.505 1.00 0.12 C ATOM 398 O ILE A 354 -8.031 -9.643 -4.691 1.00 0.16 O ATOM 399 CB ILE A 354 -5.956 -7.742 -3.139 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.702 -6.952 -2.073 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.245 -7.182 -4.533 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.152 -5.569 -1.862 1.00 0.12 C ATOM 0 H ILE A 354 -5.815 -10.280 -4.773 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.236 -9.550 -2.010 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.885 -7.645 -2.962 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.753 -6.878 -2.354 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.662 -7.499 -1.131 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -5.971 -6.128 -4.566 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.663 -7.731 -5.273 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.307 -7.288 -4.755 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.730 -5.062 -1.089 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.110 -5.636 -1.551 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.217 -5.006 -2.793 1.00 0.12 H new ATOM 414 N ARG A 355 -8.713 -9.448 -2.571 1.00 0.12 N ATOM 415 CA ARG A 355 -10.115 -9.621 -2.924 1.00 0.14 C ATOM 416 C ARG A 355 -11.030 -9.013 -1.868 1.00 0.14 C ATOM 417 O ARG A 355 -10.647 -8.848 -0.707 1.00 0.15 O ATOM 418 CB ARG A 355 -10.432 -11.105 -3.124 1.00 0.18 C ATOM 419 CG ARG A 355 -10.223 -11.948 -1.884 1.00 0.24 C ATOM 420 CD ARG A 355 -10.357 -13.431 -2.189 1.00 0.40 C ATOM 421 NE ARG A 355 -10.233 -14.238 -0.983 1.00 0.90 N ATOM 422 CZ ARG A 355 -11.265 -14.593 -0.217 1.00 1.53 C ATOM 423 NH1 ARG A 355 -12.498 -14.228 -0.548 1.00 1.59 N ATOM 424 NH2 ARG A 355 -11.060 -15.320 0.872 1.00 2.39 N ATOM 0 H ARG A 355 -8.533 -9.332 -1.574 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.296 -9.095 -3.861 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.468 -11.205 -3.449 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.807 -11.495 -3.927 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.235 -11.749 -1.470 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.951 -11.665 -1.123 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -11.323 -13.621 -2.657 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -9.591 -13.727 -2.906 1.00 0.40 H new ATOM 0 HE ARG A 355 -9.302 -14.550 -0.708 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -12.657 -13.675 -1.390 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -13.286 -14.501 0.040 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -10.114 -15.607 1.123 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -11.848 -15.592 1.459 1.00 2.39 H new ATOM 438 N TRP A 356 -12.233 -8.667 -2.292 1.00 0.15 N ATOM 439 CA TRP A 356 -13.249 -8.112 -1.408 1.00 0.16 C ATOM 440 C TRP A 356 -13.838 -9.166 -0.485 1.00 0.18 C ATOM 441 O TRP A 356 -14.195 -10.262 -0.919 1.00 0.25 O ATOM 442 CB TRP A 356 -14.377 -7.509 -2.231 1.00 0.18 C ATOM 443 CG TRP A 356 -14.006 -6.216 -2.865 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.767 -5.979 -4.183 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.829 -4.975 -2.192 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.459 -4.655 -4.368 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.492 -4.022 -3.155 1.00 0.19 C ATOM 448 CE3 TRP A 356 -13.923 -4.583 -0.864 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.255 -2.697 -2.828 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.685 -3.271 -0.539 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.355 -2.338 -1.517 1.00 0.20 C ATOM 0 H TRP A 356 -12.536 -8.762 -3.261 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.763 -7.349 -0.800 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.672 -8.216 -3.006 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.246 -7.357 -1.591 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.813 -6.721 -4.966 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.241 -4.215 -5.262 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.180 -5.300 -0.098 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -12.999 -1.972 -3.587 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.755 -2.958 0.492 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.175 -1.312 -1.232 1.00 0.20 H new ATOM 462 N GLU A 357 -13.948 -8.818 0.783 1.00 0.18 N ATOM 463 CA GLU A 357 -14.650 -9.643 1.749 1.00 0.22 C ATOM 464 C GLU A 357 -16.074 -9.133 1.903 1.00 0.22 C ATOM 465 O GLU A 357 -17.024 -9.908 2.005 1.00 0.31 O ATOM 466 CB GLU A 357 -13.929 -9.607 3.086 1.00 0.25 C ATOM 467 CG GLU A 357 -12.592 -10.318 3.062 1.00 0.52 C ATOM 468 CD GLU A 357 -12.721 -11.828 3.079 1.00 0.45 C ATOM 469 OE1 GLU A 357 -13.236 -12.402 2.100 1.00 0.79 O ATOM 470 OE2 GLU A 357 -12.285 -12.447 4.072 1.00 0.73 O ATOM 0 H GLU A 357 -13.556 -7.960 1.171 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.674 -10.675 1.398 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -13.776 -8.569 3.381 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.563 -10.064 3.846 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -12.043 -10.016 2.170 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -12.003 -10.000 3.922 1.00 0.52 H new ATOM 477 N ASP A 358 -16.199 -7.814 1.922 1.00 0.19 N ATOM 478 CA ASP A 358 -17.491 -7.149 1.977 1.00 0.22 C ATOM 479 C ASP A 358 -17.383 -5.820 1.239 1.00 0.20 C ATOM 480 O ASP A 358 -17.044 -4.799 1.836 1.00 0.22 O ATOM 481 CB ASP A 358 -17.912 -6.916 3.431 1.00 0.28 C ATOM 482 CG ASP A 358 -19.405 -6.685 3.582 1.00 1.02 C ATOM 483 OD1 ASP A 358 -19.912 -5.646 3.105 1.00 2.07 O ATOM 484 OD2 ASP A 358 -20.077 -7.544 4.193 1.00 1.30 O ATOM 0 H ASP A 358 -15.405 -7.174 1.900 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.248 -7.776 1.505 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.620 -7.778 4.031 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -17.374 -6.055 3.827 1.00 0.28 H new ATOM 489 N LYS A 359 -17.648 -5.849 -0.064 1.00 0.23 N ATOM 490 CA LYS A 359 -17.407 -4.701 -0.936 1.00 0.26 C ATOM 491 C LYS A 359 -18.276 -3.506 -0.552 1.00 0.28 C ATOM 492 O LYS A 359 -17.860 -2.356 -0.702 1.00 0.33 O ATOM 493 CB LYS A 359 -17.639 -5.101 -2.394 1.00 0.35 C ATOM 494 CG LYS A 359 -17.190 -4.068 -3.415 1.00 0.41 C ATOM 495 CD LYS A 359 -16.993 -4.710 -4.782 1.00 0.60 C ATOM 496 CE LYS A 359 -16.642 -3.694 -5.858 1.00 0.96 C ATOM 497 NZ LYS A 359 -16.455 -4.344 -7.186 1.00 1.65 N ATOM 0 H LYS A 359 -18.033 -6.663 -0.544 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.369 -4.391 -0.813 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -17.114 -6.036 -2.588 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.702 -5.297 -2.538 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -17.932 -3.273 -3.485 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.258 -3.607 -3.087 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.201 -5.456 -4.719 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -17.904 -5.236 -5.067 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -17.433 -2.947 -5.926 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -15.730 -3.167 -5.578 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -16.217 -3.622 -7.895 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -15.684 -5.039 -7.127 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -17.334 -4.825 -7.464 1.00 1.65 H new ATOM 511 N GLU A 360 -19.472 -3.778 -0.042 1.00 0.32 N ATOM 512 CA GLU A 360 -20.364 -2.722 0.415 1.00 0.36 C ATOM 513 C GLU A 360 -19.785 -2.023 1.636 1.00 0.34 C ATOM 514 O GLU A 360 -19.721 -0.794 1.692 1.00 0.42 O ATOM 515 CB GLU A 360 -21.735 -3.293 0.760 1.00 0.45 C ATOM 516 CG GLU A 360 -22.699 -2.253 1.301 1.00 0.94 C ATOM 517 CD GLU A 360 -23.985 -2.869 1.795 1.00 1.10 C ATOM 518 OE1 GLU A 360 -23.963 -3.505 2.872 1.00 1.40 O ATOM 519 OE2 GLU A 360 -25.017 -2.731 1.110 1.00 1.33 O ATOM 0 H GLU A 360 -19.845 -4.721 0.065 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.470 -1.998 -0.393 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.166 -3.749 -0.131 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.615 -4.086 1.498 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.223 -1.708 2.116 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -22.923 -1.527 0.520 1.00 0.94 H new ATOM 526 N SER A 361 -19.353 -2.817 2.608 1.00 0.28 N ATOM 527 CA SER A 361 -18.784 -2.291 3.836 1.00 0.27 C ATOM 528 C SER A 361 -17.390 -1.717 3.591 1.00 0.23 C ATOM 529 O SER A 361 -16.860 -0.978 4.422 1.00 0.25 O ATOM 530 CB SER A 361 -18.728 -3.410 4.876 1.00 0.29 C ATOM 531 OG SER A 361 -20.031 -3.870 5.192 1.00 1.10 O ATOM 0 H SER A 361 -19.388 -3.836 2.565 1.00 0.28 H new ATOM 0 HA SER A 361 -19.413 -1.480 4.204 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.128 -4.237 4.495 1.00 0.29 H new ATOM 0 HB3 SER A 361 -18.236 -3.049 5.779 1.00 0.29 H new ATOM 0 HG SER A 361 -20.311 -4.539 4.532 1.00 1.10 H new ATOM 537 N LYS A 362 -16.835 -2.045 2.421 1.00 0.20 N ATOM 538 CA LYS A 362 -15.483 -1.648 2.019 1.00 0.19 C ATOM 539 C LYS A 362 -14.436 -2.450 2.784 1.00 0.15 C ATOM 540 O LYS A 362 -13.288 -2.026 2.931 1.00 0.16 O ATOM 541 CB LYS A 362 -15.250 -0.148 2.215 1.00 0.24 C ATOM 542 CG LYS A 362 -16.251 0.719 1.477 1.00 0.33 C ATOM 543 CD LYS A 362 -16.101 0.594 -0.027 1.00 0.46 C ATOM 544 CE LYS A 362 -17.136 1.439 -0.741 1.00 1.22 C ATOM 545 NZ LYS A 362 -17.000 1.376 -2.221 1.00 1.83 N ATOM 0 H LYS A 362 -17.319 -2.602 1.717 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.384 -1.863 0.955 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.296 0.083 3.279 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.245 0.103 1.877 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.262 0.434 1.767 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.117 1.760 1.771 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.100 0.907 -0.325 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -16.210 -0.449 -0.323 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -18.133 1.104 -0.456 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -17.043 2.475 -0.415 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -17.476 2.196 -2.649 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -15.992 1.388 -2.478 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -17.437 0.500 -2.573 1.00 1.83 H new ATOM 559 N ILE A 363 -14.842 -3.620 3.257 1.00 0.14 N ATOM 560 CA ILE A 363 -13.938 -4.533 3.940 1.00 0.13 C ATOM 561 C ILE A 363 -13.266 -5.419 2.895 1.00 0.11 C ATOM 562 O ILE A 363 -13.939 -6.160 2.172 1.00 0.14 O ATOM 563 CB ILE A 363 -14.671 -5.424 4.990 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.080 -4.645 6.252 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.778 -6.583 5.405 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.773 -3.336 6.012 1.00 0.19 C ATOM 0 H ILE A 363 -15.800 -3.961 3.179 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.202 -3.940 4.484 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.579 -5.786 4.508 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -15.735 -5.278 6.851 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.186 -4.458 6.847 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.299 -7.199 6.138 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.535 -7.187 4.530 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.859 -6.195 5.844 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -16.016 -2.872 6.968 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -15.117 -2.676 5.445 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.690 -3.508 5.449 1.00 0.19 H new ATOM 578 N PHE A 364 -11.952 -5.337 2.805 1.00 0.09 N ATOM 579 CA PHE A 364 -11.225 -6.019 1.750 1.00 0.08 C ATOM 580 C PHE A 364 -10.054 -6.793 2.336 1.00 0.08 C ATOM 581 O PHE A 364 -9.451 -6.374 3.327 1.00 0.09 O ATOM 582 CB PHE A 364 -10.734 -5.010 0.703 1.00 0.09 C ATOM 583 CG PHE A 364 -9.516 -4.228 1.116 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.611 -3.199 2.040 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.275 -4.529 0.582 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.486 -2.485 2.415 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.151 -3.820 0.953 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.255 -2.798 1.870 1.00 0.10 C ATOM 0 H PHE A 364 -11.366 -4.805 3.449 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.896 -6.724 1.260 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.512 -5.543 -0.221 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.541 -4.312 0.482 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.570 -2.952 2.471 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.185 -5.331 -0.136 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.570 -1.683 3.134 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.191 -4.066 0.525 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.377 -2.242 2.163 1.00 0.10 H new ATOM 598 N ARG A 365 -9.733 -7.921 1.729 1.00 0.08 N ATOM 599 CA ARG A 365 -8.666 -8.760 2.224 1.00 0.09 C ATOM 600 C ARG A 365 -7.494 -8.763 1.278 1.00 0.09 C ATOM 601 O ARG A 365 -7.648 -8.982 0.077 1.00 0.10 O ATOM 602 CB ARG A 365 -9.129 -10.199 2.411 1.00 0.13 C ATOM 603 CG ARG A 365 -7.992 -11.139 2.775 1.00 0.20 C ATOM 604 CD ARG A 365 -8.367 -12.601 2.605 1.00 0.26 C ATOM 605 NE ARG A 365 -9.469 -12.996 3.471 1.00 0.58 N ATOM 606 CZ ARG A 365 -9.659 -14.236 3.917 1.00 0.73 C ATOM 607 NH1 ARG A 365 -8.785 -15.192 3.626 1.00 1.04 N ATOM 608 NH2 ARG A 365 -10.730 -14.516 4.648 1.00 1.14 N ATOM 0 H ARG A 365 -10.198 -8.274 0.893 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.366 -8.345 3.186 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -9.888 -10.233 3.193 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.602 -10.546 1.492 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.126 -10.915 2.152 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -7.695 -10.961 3.809 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -8.641 -12.784 1.566 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.498 -13.223 2.820 1.00 0.26 H new ATOM 0 HE ARG A 365 -10.137 -12.278 3.753 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -7.965 -14.978 3.059 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -8.934 -16.141 3.969 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -11.404 -13.783 4.866 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -10.879 -15.465 4.992 1.00 1.14 H new ATOM 622 N ILE A 366 -6.325 -8.537 1.826 1.00 0.09 N ATOM 623 CA ILE A 366 -5.114 -8.760 1.085 1.00 0.09 C ATOM 624 C ILE A 366 -4.769 -10.239 1.169 1.00 0.09 C ATOM 625 O ILE A 366 -4.503 -10.777 2.248 1.00 0.12 O ATOM 626 CB ILE A 366 -3.975 -7.861 1.588 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.280 -6.419 1.163 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.632 -8.335 1.049 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.259 -5.398 1.598 1.00 0.12 C ATOM 0 H ILE A 366 -6.189 -8.200 2.779 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.260 -8.490 0.039 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.909 -7.910 2.675 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.365 -6.386 0.077 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.251 -6.135 1.567 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.841 -7.683 1.419 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.446 -9.356 1.382 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.646 -8.306 -0.041 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.562 -4.410 1.251 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.188 -5.395 2.686 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.288 -5.650 1.172 1.00 0.12 H new ATOM 641 N VAL A 367 -4.836 -10.887 0.024 1.00 0.10 N ATOM 642 CA VAL A 367 -4.774 -12.335 -0.069 1.00 0.12 C ATOM 643 C VAL A 367 -3.334 -12.823 -0.162 1.00 0.13 C ATOM 644 O VAL A 367 -2.948 -13.787 0.500 1.00 0.19 O ATOM 645 CB VAL A 367 -5.593 -12.805 -1.285 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.356 -14.264 -1.596 1.00 0.17 C ATOM 647 CG2 VAL A 367 -7.065 -12.556 -1.044 1.00 0.20 C ATOM 0 H VAL A 367 -4.936 -10.421 -0.878 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.201 -12.763 0.838 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.262 -12.229 -2.149 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.953 -14.553 -2.461 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.300 -14.422 -1.815 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.643 -14.870 -0.737 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.637 -12.891 -1.909 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.387 -13.107 -0.160 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.233 -11.490 -0.889 1.00 0.20 H new ATOM 657 N ASP A 368 -2.540 -12.151 -0.972 1.00 0.12 N ATOM 658 CA ASP A 368 -1.124 -12.455 -1.055 1.00 0.13 C ATOM 659 C ASP A 368 -0.323 -11.180 -0.901 1.00 0.12 C ATOM 660 O ASP A 368 0.025 -10.522 -1.878 1.00 0.12 O ATOM 661 CB ASP A 368 -0.773 -13.152 -2.365 1.00 0.18 C ATOM 662 CG ASP A 368 0.635 -13.707 -2.348 1.00 0.25 C ATOM 663 OD1 ASP A 368 0.863 -14.729 -1.667 1.00 0.52 O ATOM 664 OD2 ASP A 368 1.523 -13.126 -3.002 1.00 0.50 O ATOM 0 H ASP A 368 -2.849 -11.393 -1.581 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.874 -13.142 -0.247 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.480 -13.961 -2.547 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.876 -12.447 -3.190 1.00 0.18 H new ATOM 669 N PRO A 369 -0.053 -10.815 0.353 1.00 0.11 N ATOM 670 CA PRO A 369 0.602 -9.563 0.712 1.00 0.11 C ATOM 671 C PRO A 369 1.942 -9.339 0.020 1.00 0.12 C ATOM 672 O PRO A 369 2.272 -8.214 -0.352 1.00 0.14 O ATOM 673 CB PRO A 369 0.776 -9.692 2.226 1.00 0.13 C ATOM 674 CG PRO A 369 -0.328 -10.572 2.625 1.00 0.13 C ATOM 675 CD PRO A 369 -0.410 -11.587 1.547 1.00 0.13 C ATOM 0 HA PRO A 369 0.014 -8.701 0.398 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.744 -10.121 2.483 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.715 -8.723 2.721 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.134 -11.036 3.592 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.262 -10.018 2.719 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.279 -12.414 1.716 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.409 -12.016 1.469 1.00 0.13 H new ATOM 683 N ASN A 370 2.700 -10.408 -0.159 1.00 0.15 N ATOM 684 CA ASN A 370 4.012 -10.316 -0.799 1.00 0.18 C ATOM 685 C ASN A 370 3.855 -9.894 -2.254 1.00 0.16 C ATOM 686 O ASN A 370 4.587 -9.041 -2.753 1.00 0.17 O ATOM 687 CB ASN A 370 4.725 -11.665 -0.737 1.00 0.25 C ATOM 688 CG ASN A 370 6.179 -11.583 -1.173 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.852 -10.571 -0.968 1.00 1.13 O ATOM 690 ND2 ASN A 370 6.662 -12.643 -1.800 1.00 0.99 N ATOM 0 H ASN A 370 2.435 -11.350 0.127 1.00 0.15 H new ATOM 0 HA ASN A 370 4.605 -9.571 -0.268 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.677 -12.050 0.282 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.200 -12.378 -1.372 1.00 0.25 H new ATOM 0 HD21 ASN A 370 7.626 -12.643 -2.134 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.071 -13.461 -1.949 1.00 0.99 H new ATOM 697 N GLY A 371 2.890 -10.504 -2.921 1.00 0.16 N ATOM 698 CA GLY A 371 2.608 -10.168 -4.303 1.00 0.17 C ATOM 699 C GLY A 371 1.910 -8.829 -4.432 1.00 0.14 C ATOM 700 O GLY A 371 2.131 -8.099 -5.391 1.00 0.16 O ATOM 0 H GLY A 371 2.292 -11.231 -2.529 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.540 -10.147 -4.868 1.00 0.17 H new ATOM 0 HA3 GLY A 371 1.985 -10.945 -4.745 1.00 0.17 H new ATOM 704 N LEU A 372 1.070 -8.516 -3.456 1.00 0.13 N ATOM 705 CA LEU A 372 0.359 -7.240 -3.409 1.00 0.12 C ATOM 706 C LEU A 372 1.368 -6.097 -3.342 1.00 0.12 C ATOM 707 O LEU A 372 1.298 -5.136 -4.110 1.00 0.12 O ATOM 708 CB LEU A 372 -0.561 -7.211 -2.182 1.00 0.12 C ATOM 709 CG LEU A 372 -1.819 -6.341 -2.285 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.482 -4.867 -2.469 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.696 -6.831 -3.422 1.00 0.14 C ATOM 0 H LEU A 372 0.860 -9.136 -2.674 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.247 -7.124 -4.307 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.871 -8.233 -1.965 1.00 0.12 H new ATOM 0 HB3 LEU A 372 0.022 -6.867 -1.328 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.362 -6.431 -1.344 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.404 -4.289 -2.537 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -0.897 -4.518 -1.618 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.904 -4.737 -3.384 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.588 -6.208 -3.488 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.142 -6.774 -4.359 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -2.989 -7.864 -3.236 1.00 0.14 H new ATOM 723 N ALA A 373 2.308 -6.226 -2.416 1.00 0.13 N ATOM 724 CA ALA A 373 3.404 -5.278 -2.283 1.00 0.16 C ATOM 725 C ALA A 373 4.187 -5.191 -3.587 1.00 0.18 C ATOM 726 O ALA A 373 4.505 -4.105 -4.069 1.00 0.22 O ATOM 727 CB ALA A 373 4.309 -5.726 -1.155 1.00 0.18 C ATOM 0 H ALA A 373 2.332 -6.988 -1.738 1.00 0.13 H new ATOM 0 HA ALA A 373 3.006 -4.289 -2.058 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.133 -5.021 -1.048 1.00 0.18 H new ATOM 0 HB2 ALA A 373 3.741 -5.763 -0.226 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.705 -6.717 -1.378 1.00 0.18 H new ATOM 733 N ARG A 374 4.484 -6.355 -4.150 1.00 0.19 N ATOM 734 CA ARG A 374 5.194 -6.471 -5.401 1.00 0.24 C ATOM 735 C ARG A 374 4.465 -5.719 -6.519 1.00 0.19 C ATOM 736 O ARG A 374 5.090 -5.038 -7.332 1.00 0.21 O ATOM 737 CB ARG A 374 5.301 -7.949 -5.731 1.00 0.33 C ATOM 738 CG ARG A 374 6.556 -8.318 -6.473 1.00 0.67 C ATOM 739 CD ARG A 374 7.794 -8.094 -5.616 1.00 0.92 C ATOM 740 NE ARG A 374 9.022 -8.514 -6.294 1.00 1.47 N ATOM 741 CZ ARG A 374 10.108 -8.973 -5.666 1.00 1.99 C ATOM 742 NH1 ARG A 374 10.113 -9.107 -4.341 1.00 2.45 N ATOM 743 NH2 ARG A 374 11.186 -9.311 -6.365 1.00 2.67 N ATOM 0 H ARG A 374 4.231 -7.253 -3.738 1.00 0.19 H new ATOM 0 HA ARG A 374 6.185 -6.027 -5.312 1.00 0.24 H new ATOM 0 HB2 ARG A 374 5.256 -8.522 -4.805 1.00 0.33 H new ATOM 0 HB3 ARG A 374 4.438 -8.241 -6.329 1.00 0.33 H new ATOM 0 HG2 ARG A 374 6.507 -9.364 -6.777 1.00 0.67 H new ATOM 0 HG3 ARG A 374 6.630 -7.724 -7.384 1.00 0.67 H new ATOM 0 HD2 ARG A 374 7.868 -7.038 -5.357 1.00 0.92 H new ATOM 0 HD3 ARG A 374 7.691 -8.645 -4.681 1.00 0.92 H new ATOM 0 HE ARG A 374 9.050 -8.452 -7.312 1.00 1.47 H new ATOM 0 HH11 ARG A 374 9.285 -8.859 -3.800 1.00 2.45 H new ATOM 0 HH12 ARG A 374 10.945 -9.458 -3.867 1.00 2.45 H new ATOM 0 HH21 ARG A 374 11.184 -9.220 -7.381 1.00 2.67 H new ATOM 0 HH22 ARG A 374 12.015 -9.661 -5.886 1.00 2.67 H new ATOM 757 N LEU A 375 3.141 -5.859 -6.550 1.00 0.17 N ATOM 758 CA LEU A 375 2.298 -5.145 -7.505 1.00 0.18 C ATOM 759 C LEU A 375 2.474 -3.639 -7.356 1.00 0.19 C ATOM 760 O LEU A 375 2.729 -2.927 -8.330 1.00 0.22 O ATOM 761 CB LEU A 375 0.824 -5.509 -7.291 1.00 0.18 C ATOM 762 CG LEU A 375 0.451 -6.955 -7.611 1.00 0.21 C ATOM 763 CD1 LEU A 375 -0.948 -7.270 -7.105 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.540 -7.211 -9.106 1.00 0.26 C ATOM 0 H LEU A 375 2.625 -6.469 -5.916 1.00 0.17 H new ATOM 0 HA LEU A 375 2.601 -5.440 -8.510 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.565 -5.307 -6.252 1.00 0.18 H new ATOM 0 HB3 LEU A 375 0.212 -4.849 -7.906 1.00 0.18 H new ATOM 0 HG LEU A 375 1.159 -7.610 -7.104 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.196 -8.305 -7.342 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -0.985 -7.126 -6.025 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.667 -6.605 -7.585 1.00 0.23 H new ATOM 0 HD21 LEU A 375 0.271 -8.246 -9.315 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.145 -6.545 -9.631 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.559 -7.025 -9.447 1.00 0.26 H new ATOM 776 N TRP A 376 2.340 -3.163 -6.125 1.00 0.18 N ATOM 777 CA TRP A 376 2.460 -1.744 -5.827 1.00 0.20 C ATOM 778 C TRP A 376 3.874 -1.249 -6.146 1.00 0.25 C ATOM 779 O TRP A 376 4.062 -0.120 -6.610 1.00 0.30 O ATOM 780 CB TRP A 376 2.094 -1.506 -4.360 1.00 0.20 C ATOM 781 CG TRP A 376 2.153 -0.071 -3.938 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.292 0.926 -4.294 1.00 0.20 C ATOM 783 CD2 TRP A 376 3.118 0.522 -3.064 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.677 2.112 -3.710 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.794 1.886 -2.945 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.227 0.032 -2.373 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.540 2.763 -2.163 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.964 0.902 -1.594 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.619 2.253 -1.495 1.00 0.35 C ATOM 0 H TRP A 376 2.146 -3.746 -5.311 1.00 0.18 H new ATOM 0 HA TRP A 376 1.771 -1.175 -6.452 1.00 0.20 H new ATOM 0 HB2 TRP A 376 1.087 -1.884 -4.182 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.768 -2.086 -3.730 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.435 0.803 -4.939 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.209 3.011 -3.827 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.504 -1.009 -2.446 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.277 3.808 -2.087 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.822 0.532 -1.052 1.00 0.34 H new ATOM 0 HH2 TRP A 376 5.217 2.908 -0.878 1.00 0.35 H new ATOM 800 N GLY A 377 4.862 -2.109 -5.911 1.00 0.27 N ATOM 801 CA GLY A 377 6.227 -1.812 -6.311 1.00 0.33 C ATOM 802 C GLY A 377 6.342 -1.620 -7.809 1.00 0.38 C ATOM 803 O GLY A 377 6.976 -0.674 -8.272 1.00 0.41 O ATOM 0 H GLY A 377 4.740 -3.010 -5.449 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.568 -0.911 -5.801 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.883 -2.624 -5.997 1.00 0.33 H new ATOM 807 N ASN A 378 5.700 -2.509 -8.561 1.00 0.41 N ATOM 808 CA ASN A 378 5.692 -2.448 -10.024 1.00 0.50 C ATOM 809 C ASN A 378 5.224 -1.079 -10.515 1.00 0.51 C ATOM 810 O ASN A 378 5.813 -0.501 -11.430 1.00 0.62 O ATOM 811 CB ASN A 378 4.790 -3.552 -10.586 1.00 0.54 C ATOM 812 CG ASN A 378 4.646 -3.507 -12.098 1.00 0.72 C ATOM 813 OD1 ASN A 378 5.565 -3.109 -12.817 1.00 0.89 O ATOM 814 ND2 ASN A 378 3.488 -3.927 -12.593 1.00 1.06 N ATOM 0 H ASN A 378 5.171 -3.292 -8.177 1.00 0.41 H new ATOM 0 HA ASN A 378 6.711 -2.601 -10.380 1.00 0.50 H new ATOM 0 HB2 ASN A 378 5.193 -4.522 -10.296 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.802 -3.469 -10.132 1.00 0.54 H new ATOM 0 HD21 ASN A 378 3.335 -3.928 -13.601 1.00 1.06 H new ATOM 0 HD22 ASN A 378 2.752 -4.249 -11.965 1.00 1.06 H new ATOM 821 N HIS A 379 4.180 -0.556 -9.884 1.00 0.44 N ATOM 822 CA HIS A 379 3.634 0.747 -10.249 1.00 0.49 C ATOM 823 C HIS A 379 4.665 1.855 -10.035 1.00 0.53 C ATOM 824 O HIS A 379 4.800 2.764 -10.853 1.00 0.67 O ATOM 825 CB HIS A 379 2.376 1.043 -9.426 1.00 0.51 C ATOM 826 CG HIS A 379 1.767 2.382 -9.713 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.948 2.583 -10.796 1.00 0.70 N ATOM 828 CD2 HIS A 379 1.902 3.549 -9.038 1.00 0.78 C ATOM 829 CE1 HIS A 379 0.608 3.858 -10.758 1.00 0.84 C ATOM 830 NE2 HIS A 379 1.162 4.486 -9.711 1.00 0.89 N ATOM 0 H HIS A 379 3.693 -1.015 -9.115 1.00 0.44 H new ATOM 0 HA HIS A 379 3.374 0.718 -11.307 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.635 0.268 -9.621 1.00 0.51 H new ATOM 0 HB3 HIS A 379 2.625 0.987 -8.366 1.00 0.51 H new ATOM 0 HD2 HIS A 379 2.482 3.710 -8.141 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.037 4.336 -11.481 1.00 0.84 H new ATOM 0 HE2 HIS A 379 1.054 5.470 -9.463 1.00 0.89 H new ATOM 838 N LYS A 380 5.403 1.756 -8.940 1.00 0.47 N ATOM 839 CA LYS A 380 6.351 2.793 -8.551 1.00 0.55 C ATOM 840 C LYS A 380 7.710 2.601 -9.218 1.00 0.56 C ATOM 841 O LYS A 380 8.665 3.313 -8.902 1.00 0.70 O ATOM 842 CB LYS A 380 6.526 2.789 -7.034 1.00 0.62 C ATOM 843 CG LYS A 380 5.313 3.288 -6.264 1.00 0.79 C ATOM 844 CD LYS A 380 5.137 4.792 -6.423 1.00 0.75 C ATOM 845 CE LYS A 380 4.324 5.388 -5.283 1.00 0.84 C ATOM 846 NZ LYS A 380 2.945 4.843 -5.232 1.00 1.36 N ATOM 0 H LYS A 380 5.364 0.963 -8.300 1.00 0.47 H new ATOM 0 HA LYS A 380 5.947 3.750 -8.881 1.00 0.55 H new ATOM 0 HB2 LYS A 380 6.756 1.774 -6.709 1.00 0.62 H new ATOM 0 HB3 LYS A 380 7.385 3.409 -6.777 1.00 0.62 H new ATOM 0 HG2 LYS A 380 4.419 2.776 -6.618 1.00 0.79 H new ATOM 0 HG3 LYS A 380 5.424 3.042 -5.208 1.00 0.79 H new ATOM 0 HD2 LYS A 380 6.116 5.271 -6.461 1.00 0.75 H new ATOM 0 HD3 LYS A 380 4.642 5.002 -7.371 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.827 5.188 -4.337 1.00 0.84 H new ATOM 0 HE3 LYS A 380 4.281 6.471 -5.398 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 2.388 5.372 -4.531 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 2.500 4.935 -6.168 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 2.978 3.839 -4.962 1.00 1.36 H new ATOM 860 N ASN A 381 7.783 1.639 -10.141 1.00 0.52 N ATOM 861 CA ASN A 381 9.040 1.278 -10.808 1.00 0.60 C ATOM 862 C ASN A 381 10.041 0.774 -9.772 1.00 0.59 C ATOM 863 O ASN A 381 11.246 1.013 -9.859 1.00 0.76 O ATOM 864 CB ASN A 381 9.613 2.472 -11.582 1.00 0.76 C ATOM 865 CG ASN A 381 10.726 2.080 -12.537 1.00 1.50 C ATOM 866 OD1 ASN A 381 10.721 0.986 -13.104 1.00 2.30 O ATOM 867 ND2 ASN A 381 11.702 2.959 -12.706 1.00 2.17 N ATOM 0 H ASN A 381 6.979 1.091 -10.447 1.00 0.52 H new ATOM 0 HA ASN A 381 8.842 0.484 -11.527 1.00 0.60 H new ATOM 0 HB2 ASN A 381 8.812 2.952 -12.144 1.00 0.76 H new ATOM 0 HB3 ASN A 381 9.992 3.209 -10.874 1.00 0.76 H new ATOM 0 HD21 ASN A 381 12.484 2.740 -13.323 1.00 2.17 H new ATOM 0 HD22 ASN A 381 11.671 3.855 -12.219 1.00 2.17 H new ATOM 874 N ARG A 382 9.515 0.066 -8.786 1.00 0.49 N ATOM 875 CA ARG A 382 10.295 -0.394 -7.655 1.00 0.55 C ATOM 876 C ARG A 382 10.406 -1.913 -7.654 1.00 0.67 C ATOM 877 O ARG A 382 9.543 -2.604 -8.193 1.00 0.79 O ATOM 878 CB ARG A 382 9.649 0.103 -6.358 1.00 0.51 C ATOM 879 CG ARG A 382 9.824 1.591 -6.129 1.00 0.70 C ATOM 880 CD ARG A 382 11.281 1.996 -6.263 1.00 1.09 C ATOM 881 NE ARG A 382 11.557 3.320 -5.718 1.00 1.88 N ATOM 882 CZ ARG A 382 12.641 3.603 -5.002 1.00 2.39 C ATOM 883 NH1 ARG A 382 13.509 2.647 -4.696 1.00 2.40 N ATOM 884 NH2 ARG A 382 12.853 4.839 -4.580 1.00 3.26 N ATOM 0 H ARG A 382 8.532 -0.205 -8.750 1.00 0.49 H new ATOM 0 HA ARG A 382 11.304 0.010 -7.731 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.585 -0.131 -6.378 1.00 0.51 H new ATOM 0 HB3 ARG A 382 10.079 -0.440 -5.516 1.00 0.51 H new ATOM 0 HG2 ARG A 382 9.221 2.146 -6.848 1.00 0.70 H new ATOM 0 HG3 ARG A 382 9.460 1.855 -5.136 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.905 1.262 -5.753 1.00 1.09 H new ATOM 0 HD3 ARG A 382 11.562 1.977 -7.316 1.00 1.09 H new ATOM 0 HE ARG A 382 10.885 4.066 -5.895 1.00 1.88 H new ATOM 0 HH11 ARG A 382 13.346 1.690 -5.010 1.00 2.40 H new ATOM 0 HH12 ARG A 382 14.339 2.869 -4.147 1.00 2.40 H new ATOM 0 HH21 ARG A 382 12.184 5.576 -4.804 1.00 3.26 H new ATOM 0 HH22 ARG A 382 13.685 5.055 -4.031 1.00 3.26 H new ATOM 943 N THR A 386 8.419 -5.978 -0.609 1.00 0.33 N ATOM 944 CA THR A 386 7.770 -6.919 0.271 1.00 0.28 C ATOM 945 C THR A 386 6.644 -6.209 1.022 1.00 0.21 C ATOM 946 O THR A 386 6.625 -4.982 1.045 1.00 0.24 O ATOM 947 CB THR A 386 8.806 -7.484 1.253 1.00 0.33 C ATOM 948 OG1 THR A 386 9.886 -8.083 0.525 1.00 0.54 O ATOM 949 CG2 THR A 386 8.180 -8.492 2.174 1.00 0.26 C ATOM 0 HA THR A 386 7.343 -7.742 -0.302 1.00 0.28 H new ATOM 0 HB THR A 386 9.190 -6.665 1.860 1.00 0.33 H new ATOM 0 HG1 THR A 386 9.897 -7.734 -0.391 1.00 0.54 H new ATOM 0 HG21 THR A 386 8.935 -8.877 2.859 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.381 -8.017 2.744 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.769 -9.314 1.588 1.00 0.26 H new ATOM 957 N TYR A 387 5.699 -6.936 1.611 1.00 0.19 N ATOM 958 CA TYR A 387 4.548 -6.280 2.226 1.00 0.17 C ATOM 959 C TYR A 387 4.970 -5.335 3.342 1.00 0.16 C ATOM 960 O TYR A 387 4.479 -4.219 3.407 1.00 0.18 O ATOM 961 CB TYR A 387 3.526 -7.265 2.763 1.00 0.19 C ATOM 962 CG TYR A 387 2.229 -6.570 3.096 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.070 -5.890 4.298 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.171 -6.568 2.200 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.897 -5.237 4.596 1.00 0.24 C ATOM 966 CE2 TYR A 387 -0.005 -5.920 2.494 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.137 -5.253 3.691 1.00 0.26 C ATOM 968 OH TYR A 387 -1.307 -4.605 3.987 1.00 0.30 O ATOM 0 H TYR A 387 5.704 -7.954 1.676 1.00 0.19 H new ATOM 0 HA TYR A 387 4.078 -5.707 1.427 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.345 -8.046 2.024 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.920 -7.754 3.654 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.882 -5.874 5.010 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.272 -7.084 1.256 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.789 -4.715 5.535 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.823 -5.934 1.788 1.00 0.25 H new ATOM 0 HH TYR A 387 -1.953 -5.246 4.351 1.00 0.30 H new ATOM 978 N GLU A 388 5.864 -5.773 4.222 1.00 0.20 N ATOM 979 CA GLU A 388 6.382 -4.905 5.274 1.00 0.26 C ATOM 980 C GLU A 388 6.941 -3.620 4.669 1.00 0.25 C ATOM 981 O GLU A 388 6.814 -2.536 5.235 1.00 0.31 O ATOM 982 CB GLU A 388 7.468 -5.624 6.065 1.00 0.38 C ATOM 983 CG GLU A 388 6.965 -6.787 6.912 1.00 1.00 C ATOM 984 CD GLU A 388 6.304 -7.884 6.105 1.00 1.78 C ATOM 985 OE1 GLU A 388 6.812 -8.212 5.012 1.00 2.37 O ATOM 986 OE2 GLU A 388 5.269 -8.417 6.552 1.00 2.34 O ATOM 0 H GLU A 388 6.244 -6.720 4.228 1.00 0.20 H new ATOM 0 HA GLU A 388 5.565 -4.651 5.949 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.221 -5.996 5.370 1.00 0.38 H new ATOM 0 HB3 GLU A 388 7.963 -4.904 6.716 1.00 0.38 H new ATOM 0 HG2 GLU A 388 7.802 -7.210 7.467 1.00 1.00 H new ATOM 0 HG3 GLU A 388 6.254 -6.409 7.647 1.00 1.00 H new ATOM 993 N LYS A 389 7.526 -3.765 3.493 1.00 0.24 N ATOM 994 CA LYS A 389 8.058 -2.646 2.735 1.00 0.28 C ATOM 995 C LYS A 389 6.923 -1.761 2.194 1.00 0.26 C ATOM 996 O LYS A 389 7.055 -0.542 2.117 1.00 0.32 O ATOM 997 CB LYS A 389 8.940 -3.194 1.602 1.00 0.34 C ATOM 998 CG LYS A 389 10.172 -3.927 2.115 1.00 0.46 C ATOM 999 CD LYS A 389 10.845 -4.724 1.010 1.00 0.52 C ATOM 1000 CE LYS A 389 11.977 -5.593 1.538 1.00 0.72 C ATOM 1001 NZ LYS A 389 12.364 -6.650 0.562 1.00 1.62 N ATOM 0 H LYS A 389 7.646 -4.668 3.034 1.00 0.24 H new ATOM 0 HA LYS A 389 8.665 -2.015 3.384 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.351 -3.872 0.984 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.254 -2.370 0.961 1.00 0.34 H new ATOM 0 HG2 LYS A 389 10.879 -3.208 2.529 1.00 0.46 H new ATOM 0 HG3 LYS A 389 9.887 -4.597 2.926 1.00 0.46 H new ATOM 0 HD2 LYS A 389 10.105 -5.354 0.516 1.00 0.52 H new ATOM 0 HD3 LYS A 389 11.235 -4.040 0.256 1.00 0.52 H new ATOM 0 HE2 LYS A 389 12.842 -4.968 1.759 1.00 0.72 H new ATOM 0 HE3 LYS A 389 11.672 -6.058 2.475 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 13.171 -7.189 0.936 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 11.560 -7.292 0.409 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 12.631 -6.208 -0.341 1.00 1.62 H new ATOM 1015 N MET A 390 5.799 -2.386 1.845 1.00 0.19 N ATOM 1016 CA MET A 390 4.630 -1.664 1.346 1.00 0.20 C ATOM 1017 C MET A 390 3.811 -1.055 2.494 1.00 0.20 C ATOM 1018 O MET A 390 3.245 0.033 2.363 1.00 0.22 O ATOM 1019 CB MET A 390 3.757 -2.603 0.509 1.00 0.18 C ATOM 1020 CG MET A 390 2.315 -2.681 0.975 1.00 0.23 C ATOM 1021 SD MET A 390 1.266 -3.602 -0.163 1.00 0.68 S ATOM 1022 CE MET A 390 -0.358 -3.168 0.446 1.00 1.18 C ATOM 0 H MET A 390 5.674 -3.397 1.899 1.00 0.19 H new ATOM 0 HA MET A 390 4.981 -0.843 0.720 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.776 -2.271 -0.529 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.190 -3.603 0.532 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.280 -3.152 1.957 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.920 -1.672 1.091 1.00 0.23 H new ATOM 0 HE1 MET A 390 -1.078 -3.923 0.132 1.00 1.18 H new ATOM 0 HE2 MET A 390 -0.337 -3.117 1.535 1.00 1.18 H new ATOM 0 HE3 MET A 390 -0.650 -2.198 0.043 1.00 1.18 H new ATOM 1032 N SER A 391 3.761 -1.767 3.620 1.00 0.20 N ATOM 1033 CA SER A 391 2.933 -1.384 4.762 1.00 0.21 C ATOM 1034 C SER A 391 3.328 -0.020 5.310 1.00 0.18 C ATOM 1035 O SER A 391 2.543 0.638 5.987 1.00 0.18 O ATOM 1036 CB SER A 391 3.025 -2.436 5.869 1.00 0.26 C ATOM 1037 OG SER A 391 4.350 -2.584 6.351 1.00 0.64 O ATOM 0 H SER A 391 4.293 -2.625 3.765 1.00 0.20 H new ATOM 0 HA SER A 391 1.903 -1.322 4.411 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.369 -2.154 6.693 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.668 -3.394 5.490 1.00 0.26 H new ATOM 0 HG SER A 391 4.984 -2.343 5.644 1.00 0.64 H new ATOM 1043 N ARG A 392 4.551 0.389 5.008 1.00 0.19 N ATOM 1044 CA ARG A 392 5.064 1.680 5.442 1.00 0.20 C ATOM 1045 C ARG A 392 4.182 2.808 4.910 1.00 0.19 C ATOM 1046 O ARG A 392 3.948 3.803 5.594 1.00 0.23 O ATOM 1047 CB ARG A 392 6.498 1.865 4.952 1.00 0.24 C ATOM 1048 CG ARG A 392 7.527 0.990 5.642 1.00 0.52 C ATOM 1049 CD ARG A 392 7.842 1.503 7.032 1.00 0.67 C ATOM 1050 NE ARG A 392 8.968 0.792 7.636 1.00 1.31 N ATOM 1051 CZ ARG A 392 10.035 1.392 8.160 1.00 1.66 C ATOM 1052 NH1 ARG A 392 10.136 2.720 8.152 1.00 1.88 N ATOM 1053 NH2 ARG A 392 11.008 0.656 8.684 1.00 2.48 N ATOM 0 H ARG A 392 5.212 -0.160 4.459 1.00 0.19 H new ATOM 0 HA ARG A 392 5.053 1.711 6.532 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.530 1.662 3.881 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.781 2.909 5.087 1.00 0.24 H new ATOM 0 HG2 ARG A 392 7.155 -0.032 5.705 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.440 0.961 5.047 1.00 0.52 H new ATOM 0 HD2 ARG A 392 8.070 2.568 6.982 1.00 0.67 H new ATOM 0 HD3 ARG A 392 6.962 1.395 7.666 1.00 0.67 H new ATOM 0 HE ARG A 392 8.934 -0.227 7.657 1.00 1.31 H new ATOM 0 HH11 ARG A 392 9.393 3.286 7.742 1.00 1.88 H new ATOM 0 HH12 ARG A 392 10.957 3.171 8.556 1.00 1.88 H new ATOM 0 HH21 ARG A 392 10.935 -0.361 8.683 1.00 2.48 H new ATOM 0 HH22 ARG A 392 11.829 1.108 9.087 1.00 2.48 H new ATOM 1067 N ALA A 393 3.676 2.634 3.691 1.00 0.16 N ATOM 1068 CA ALA A 393 2.775 3.612 3.093 1.00 0.16 C ATOM 1069 C ALA A 393 1.393 3.533 3.748 1.00 0.16 C ATOM 1070 O ALA A 393 0.765 4.552 4.027 1.00 0.19 O ATOM 1071 CB ALA A 393 2.677 3.392 1.589 1.00 0.19 C ATOM 0 H ALA A 393 3.875 1.826 3.101 1.00 0.16 H new ATOM 0 HA ALA A 393 3.177 4.610 3.265 1.00 0.16 H new ATOM 0 HB1 ALA A 393 2.001 4.130 1.157 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.665 3.498 1.141 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.295 2.390 1.392 1.00 0.19 H new ATOM 1077 N LEU A 394 0.941 2.305 4.007 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.340 2.060 4.676 1.00 0.18 C ATOM 1079 C LEU A 394 -0.358 2.649 6.082 1.00 0.18 C ATOM 1080 O LEU A 394 -1.416 3.004 6.599 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.622 0.558 4.753 1.00 0.22 C ATOM 1082 CG LEU A 394 -0.951 -0.115 3.424 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.890 -1.620 3.576 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.331 0.307 2.944 1.00 0.24 C ATOM 0 H LEU A 394 1.449 1.455 3.761 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.115 2.549 4.086 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.248 0.064 5.186 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.454 0.396 5.438 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.215 0.196 2.683 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -1.126 -2.092 2.622 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.112 -1.914 3.888 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.612 -1.939 4.328 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.551 -0.181 1.995 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.078 0.017 3.683 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.355 1.388 2.810 1.00 0.24 H new ATOM 1096 N ARG A 395 0.818 2.729 6.694 1.00 0.20 N ATOM 1097 CA ARG A 395 0.962 3.241 8.056 1.00 0.26 C ATOM 1098 C ARG A 395 0.304 4.613 8.197 1.00 0.21 C ATOM 1099 O ARG A 395 -0.382 4.886 9.182 1.00 0.22 O ATOM 1100 CB ARG A 395 2.444 3.334 8.418 1.00 0.36 C ATOM 1101 CG ARG A 395 2.731 3.219 9.905 1.00 0.94 C ATOM 1102 CD ARG A 395 2.286 1.870 10.446 1.00 0.94 C ATOM 1103 NE ARG A 395 3.056 1.465 11.619 1.00 1.59 N ATOM 1104 CZ ARG A 395 2.993 0.255 12.167 1.00 1.91 C ATOM 1105 NH1 ARG A 395 2.104 -0.632 11.735 1.00 1.87 N ATOM 1106 NH2 ARG A 395 3.806 -0.054 13.163 1.00 2.78 N ATOM 0 H ARG A 395 1.697 2.442 6.264 1.00 0.20 H new ATOM 0 HA ARG A 395 0.463 2.552 8.738 1.00 0.26 H new ATOM 0 HB2 ARG A 395 2.985 2.546 7.893 1.00 0.36 H new ATOM 0 HB3 ARG A 395 2.836 4.285 8.056 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.798 3.352 10.084 1.00 0.94 H new ATOM 0 HG3 ARG A 395 2.216 4.017 10.441 1.00 0.94 H new ATOM 0 HD2 ARG A 395 1.228 1.916 10.706 1.00 0.94 H new ATOM 0 HD3 ARG A 395 2.391 1.115 9.666 1.00 0.94 H new ATOM 0 HE ARG A 395 3.680 2.152 12.043 1.00 1.59 H new ATOM 0 HH11 ARG A 395 1.465 -0.387 10.979 1.00 1.87 H new ATOM 0 HH12 ARG A 395 2.060 -1.559 12.159 1.00 1.87 H new ATOM 0 HH21 ARG A 395 4.476 0.634 13.506 1.00 2.78 H new ATOM 0 HH22 ARG A 395 3.763 -0.980 13.588 1.00 2.78 H new ATOM 1120 N HIS A 396 0.496 5.463 7.194 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.101 6.790 7.191 1.00 0.19 C ATOM 1122 C HIS A 396 -1.608 6.699 7.021 1.00 0.16 C ATOM 1123 O HIS A 396 -2.357 7.453 7.642 1.00 0.22 O ATOM 1124 CB HIS A 396 0.524 7.652 6.092 1.00 0.24 C ATOM 1125 CG HIS A 396 1.931 8.053 6.405 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.201 9.130 7.213 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.101 7.475 6.034 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.515 9.183 7.321 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.103 8.201 6.626 1.00 1.17 N ATOM 0 H HIS A 396 1.062 5.254 6.372 1.00 0.20 H new ATOM 0 HA HIS A 396 0.100 7.264 8.152 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.508 7.102 5.151 1.00 0.24 H new ATOM 0 HB3 HIS A 396 -0.082 8.547 5.949 1.00 0.24 H new ATOM 0 HD1 HIS A 396 1.524 9.761 7.642 1.00 1.29 H new ATOM 0 HD2 HIS A 396 3.220 6.611 5.397 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.049 9.924 7.897 1.00 1.63 H new ATOM 1137 N TYR A 397 -2.051 5.734 6.224 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.470 5.567 5.919 1.00 0.15 C ATOM 1139 C TYR A 397 -4.263 5.266 7.181 1.00 0.18 C ATOM 1140 O TYR A 397 -5.444 5.601 7.280 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.685 4.431 4.915 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.137 4.706 3.534 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.109 5.617 3.326 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.664 4.058 2.433 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.630 5.874 2.067 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -3.185 4.301 1.170 1.00 0.32 C ATOM 1147 CZ TYR A 397 -2.172 5.216 0.988 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.727 5.490 -0.282 1.00 0.35 O ATOM 0 H TYR A 397 -1.444 5.049 5.773 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.821 6.503 5.485 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.219 3.526 5.304 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.753 4.230 4.835 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.679 6.133 4.172 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.467 3.348 2.569 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -0.833 6.588 1.924 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.601 3.777 0.322 1.00 0.32 H new ATOM 0 HH TYR A 397 -0.831 5.884 -0.237 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.602 4.626 8.141 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.225 4.303 9.416 1.00 0.29 C ATOM 1160 C TYR A 398 -4.545 5.569 10.192 1.00 0.31 C ATOM 1161 O TYR A 398 -5.556 5.644 10.890 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.319 3.393 10.247 1.00 0.33 C ATOM 1163 CG TYR A 398 -3.140 2.027 9.635 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -4.243 1.282 9.248 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.878 1.489 9.432 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -4.096 0.038 8.675 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.719 0.243 8.858 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.832 -0.480 8.482 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.678 -1.724 7.912 1.00 0.60 O ATOM 0 H TYR A 398 -2.632 4.321 8.058 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.156 3.774 9.211 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.343 3.866 10.360 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.739 3.285 11.247 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -5.234 1.684 9.398 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -1.006 2.053 9.727 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.966 -0.529 8.378 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.730 -0.163 8.705 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.724 -1.938 7.847 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.695 6.575 10.042 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.855 7.822 10.773 1.00 0.32 C ATOM 1181 C LYS A 399 -4.799 8.731 10.011 1.00 0.29 C ATOM 1182 O LYS A 399 -5.522 9.542 10.586 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.513 8.515 10.943 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.350 7.561 11.186 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.646 6.531 12.271 1.00 0.68 C ATOM 1186 CE LYS A 399 -1.712 7.149 13.656 1.00 1.31 C ATOM 1187 NZ LYS A 399 -0.397 7.692 14.090 1.00 1.98 N ATOM 0 H LYS A 399 -2.887 6.551 9.420 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.264 7.603 11.759 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.305 9.106 10.051 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.579 9.212 11.778 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -1.110 7.044 10.257 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -0.468 8.136 11.468 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.593 6.038 12.051 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -0.875 5.761 12.257 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -2.453 7.948 13.661 1.00 1.31 H new ATOM 0 HE3 LYS A 399 -2.048 6.399 14.372 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -0.416 7.870 15.114 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 0.352 7.004 13.872 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -0.206 8.582 13.588 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.778 8.562 8.700 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.651 9.282 7.797 1.00 0.23 C ATOM 1203 C LEU A 400 -7.053 8.714 7.822 1.00 0.22 C ATOM 1204 O LEU A 400 -7.934 9.195 7.115 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.110 9.148 6.387 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.724 9.716 6.182 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -3.039 9.047 5.017 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.827 11.190 5.942 1.00 0.36 C ATOM 0 H LEU A 400 -4.146 7.913 8.230 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.687 10.325 8.111 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.098 8.092 6.116 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.796 9.645 5.701 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.128 9.531 7.076 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -2.043 9.471 4.888 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -2.956 7.977 5.209 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.622 9.208 4.110 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -2.830 11.605 5.793 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -4.432 11.373 5.054 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -4.294 11.667 6.804 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.227 7.666 8.636 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.481 6.921 8.737 1.00 0.24 C ATOM 1222 C ASN A 401 -9.035 6.585 7.356 1.00 0.19 C ATOM 1223 O ASN A 401 -10.240 6.601 7.121 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.521 7.623 9.643 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.690 9.113 9.394 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.560 9.541 8.631 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.845 9.915 10.036 1.00 1.24 N ATOM 0 H ASN A 401 -6.492 7.310 9.248 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.255 5.976 9.232 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -10.486 7.136 9.507 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -9.233 7.474 10.684 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -8.902 10.925 9.906 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -8.140 9.520 10.658 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.113 6.284 6.444 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.445 5.788 5.118 1.00 0.13 C ATOM 1236 C ILE A 402 -8.656 4.288 5.191 1.00 0.13 C ATOM 1237 O ILE A 402 -9.609 3.744 4.634 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.304 6.083 4.119 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.080 7.592 4.007 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.594 5.472 2.749 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.834 7.961 3.237 1.00 0.14 C ATOM 0 H ILE A 402 -7.111 6.379 6.609 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.351 6.288 4.775 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.392 5.621 4.496 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -7.945 8.045 3.522 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.018 8.017 5.009 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.773 5.697 2.069 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.698 4.391 2.847 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.519 5.891 2.352 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.739 9.046 3.197 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -4.961 7.538 3.734 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -5.902 7.566 2.224 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.759 3.639 5.911 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.763 2.197 6.041 1.00 0.14 C ATOM 1255 C ILE A 403 -7.618 1.799 7.502 1.00 0.17 C ATOM 1256 O ILE A 403 -6.906 2.448 8.268 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.626 1.567 5.205 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -6.900 1.776 3.713 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.463 0.086 5.522 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.770 1.331 2.815 1.00 0.20 C ATOM 0 H ILE A 403 -7.006 4.100 6.422 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.715 1.824 5.664 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.691 2.063 5.466 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.804 1.232 3.440 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.098 2.833 3.535 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.656 -0.329 4.918 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.225 -0.036 6.579 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.391 -0.439 5.296 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.040 1.511 1.774 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -4.868 1.893 3.059 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.585 0.267 2.963 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.318 0.748 7.876 1.00 0.14 N ATOM 1273 CA ARG A 404 -8.269 0.212 9.226 1.00 0.18 C ATOM 1274 C ARG A 404 -8.276 -1.305 9.146 1.00 0.20 C ATOM 1275 O ARG A 404 -8.591 -1.859 8.098 1.00 0.28 O ATOM 1276 CB ARG A 404 -9.486 0.693 10.012 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.790 0.254 9.381 1.00 0.45 C ATOM 1278 CD ARG A 404 -11.497 -0.773 10.231 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.157 -0.186 11.392 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.039 -0.836 12.144 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.395 -2.075 11.834 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -13.581 -0.243 13.198 1.00 2.08 N ATOM 0 H ARG A 404 -8.941 0.237 7.251 1.00 0.14 H new ATOM 0 HA ARG A 404 -7.365 0.552 9.731 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -9.432 0.310 11.031 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -9.466 1.781 10.079 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -11.437 1.120 9.241 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.595 -0.162 8.392 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -12.236 -1.295 9.623 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -10.777 -1.519 10.567 1.00 0.76 H new ATOM 0 HE ARG A 404 -11.929 0.777 11.640 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.992 -2.532 11.016 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -14.072 -2.571 12.413 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -13.321 0.715 13.434 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -14.258 -0.744 13.773 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.935 -1.974 10.231 1.00 0.24 N ATOM 1297 CA LYS A 405 -8.003 -3.426 10.266 1.00 0.26 C ATOM 1298 C LYS A 405 -9.298 -3.889 10.918 1.00 0.27 C ATOM 1299 O LYS A 405 -9.667 -3.402 11.991 1.00 0.34 O ATOM 1300 CB LYS A 405 -6.825 -4.023 11.034 1.00 0.31 C ATOM 1301 CG LYS A 405 -5.524 -4.066 10.253 1.00 0.58 C ATOM 1302 CD LYS A 405 -4.537 -5.029 10.899 1.00 0.69 C ATOM 1303 CE LYS A 405 -5.133 -6.426 11.007 1.00 1.31 C ATOM 1304 NZ LYS A 405 -4.208 -7.394 11.649 1.00 1.73 N ATOM 0 H LYS A 405 -7.610 -1.541 11.095 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.965 -3.772 9.233 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -6.669 -3.444 11.944 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -7.084 -5.036 11.342 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -5.721 -4.375 9.226 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -5.089 -3.068 10.208 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -3.620 -5.065 10.311 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -4.266 -4.667 11.891 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -6.059 -6.379 11.581 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -5.393 -6.784 10.011 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -4.058 -8.204 11.014 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -3.297 -6.930 11.839 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -4.620 -7.727 12.544 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.990 -4.817 10.267 1.00 0.26 N ATOM 1319 CA GLU A 406 -11.139 -5.458 10.866 1.00 0.27 C ATOM 1320 C GLU A 406 -10.737 -6.228 12.120 1.00 0.29 C ATOM 1321 O GLU A 406 -9.624 -6.754 12.211 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.813 -6.363 9.861 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.675 -5.588 8.894 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.280 -4.335 9.508 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.246 -4.452 10.285 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -12.794 -3.226 9.220 1.00 0.81 O ATOM 0 H GLU A 406 -9.770 -5.138 9.324 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.852 -4.690 11.166 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -11.056 -6.918 9.307 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -12.425 -7.096 10.386 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -12.077 -5.308 8.027 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -13.477 -6.233 8.534 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.644 -6.290 13.104 1.00 0.34 N ATOM 1334 CA PRO A 407 -11.365 -6.843 14.437 1.00 0.38 C ATOM 1335 C PRO A 407 -10.954 -8.314 14.424 1.00 0.41 C ATOM 1336 O PRO A 407 -11.748 -9.192 14.086 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.701 -6.670 15.167 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.713 -6.602 14.082 1.00 0.48 C ATOM 1339 CD PRO A 407 -13.039 -5.833 12.994 1.00 0.45 C ATOM 0 HA PRO A 407 -10.520 -6.338 14.905 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -12.896 -7.505 15.840 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.708 -5.764 15.773 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -14.002 -7.598 13.745 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -14.622 -6.103 14.417 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -13.464 -6.056 12.015 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -13.127 -4.757 13.142 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.703 -8.564 14.794 1.00 0.51 N ATOM 1348 CA GLY A 408 -9.218 -9.925 14.955 1.00 0.60 C ATOM 1349 C GLY A 408 -9.059 -10.659 13.640 1.00 0.56 C ATOM 1350 O GLY A 408 -9.416 -11.832 13.529 1.00 0.66 O ATOM 0 H GLY A 408 -9.009 -7.842 14.987 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.258 -9.903 15.471 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -9.909 -10.478 15.591 1.00 0.60 H new ATOM 1354 N GLN A 409 -8.516 -9.977 12.645 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.339 -10.569 11.330 1.00 0.52 C ATOM 1356 C GLN A 409 -6.874 -10.526 10.909 1.00 0.48 C ATOM 1357 O GLN A 409 -6.052 -9.876 11.558 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.199 -9.842 10.297 1.00 0.67 C ATOM 1359 CG GLN A 409 -10.692 -9.919 10.572 1.00 0.77 C ATOM 1360 CD GLN A 409 -11.262 -11.303 10.385 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -11.308 -12.110 11.312 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -11.715 -11.580 9.177 1.00 1.10 N ATOM 0 H GLN A 409 -8.190 -9.014 12.723 1.00 0.53 H new ATOM 0 HA GLN A 409 -8.655 -11.611 11.384 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -8.900 -8.794 10.263 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -8.999 -10.263 9.312 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -10.884 -9.589 11.593 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.213 -9.227 9.910 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -11.657 -10.880 8.437 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -12.124 -12.494 8.983 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.542 -11.227 9.833 1.00 0.44 N ATOM 1372 CA ARG A 410 -5.181 -11.196 9.303 1.00 0.41 C ATOM 1373 C ARG A 410 -4.921 -9.890 8.554 1.00 0.34 C ATOM 1374 O ARG A 410 -4.670 -8.851 9.162 1.00 0.49 O ATOM 1375 CB ARG A 410 -4.878 -12.401 8.389 1.00 0.45 C ATOM 1376 CG ARG A 410 -6.066 -13.295 8.047 1.00 0.57 C ATOM 1377 CD ARG A 410 -7.012 -12.661 7.026 1.00 0.62 C ATOM 1378 NE ARG A 410 -6.376 -12.424 5.723 1.00 0.96 N ATOM 1379 CZ ARG A 410 -5.750 -13.366 5.004 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -5.844 -14.646 5.345 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -5.085 -13.031 3.906 1.00 2.29 N ATOM 0 H ARG A 410 -7.188 -11.820 9.312 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.509 -11.258 10.159 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -4.450 -12.028 7.459 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -4.114 -13.013 8.869 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -5.700 -14.244 7.655 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -6.620 -13.519 8.958 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -7.877 -13.310 6.889 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -7.382 -11.715 7.421 1.00 0.62 H new ATOM 0 HE ARG A 410 -6.413 -11.479 5.340 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -6.395 -14.918 6.159 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -5.365 -15.357 4.793 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -5.050 -12.056 3.609 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -4.609 -13.748 3.359 1.00 2.29 H new ATOM 1395 N LEU A 411 -5.012 -9.944 7.235 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.831 -8.762 6.403 1.00 0.15 C ATOM 1397 C LEU A 411 -6.174 -8.219 5.944 1.00 0.11 C ATOM 1398 O LEU A 411 -6.300 -7.692 4.840 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.923 -9.056 5.206 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.461 -9.325 5.562 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -2.071 -10.754 5.219 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.562 -8.331 4.844 1.00 0.16 C ATOM 0 H LEU A 411 -5.211 -10.798 6.714 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.341 -7.999 7.008 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.317 -9.921 4.672 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.966 -8.211 4.519 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.335 -9.198 6.637 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -1.026 -10.919 5.482 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.700 -11.447 5.778 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.207 -10.922 4.151 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.522 -8.529 5.102 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.694 -8.433 3.767 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.825 -7.318 5.147 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.188 -8.408 6.780 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.509 -7.867 6.509 1.00 0.10 C ATOM 1416 C LEU A 412 -8.593 -6.424 6.948 1.00 0.09 C ATOM 1417 O LEU A 412 -8.392 -6.102 8.119 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.591 -8.666 7.215 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.690 -9.183 6.310 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -11.019 -8.151 5.264 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.255 -10.484 5.675 1.00 0.15 C ATOM 0 H LEU A 412 -7.118 -8.933 7.652 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.670 -7.932 5.433 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.127 -9.513 7.720 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -10.039 -8.041 7.987 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.590 -9.371 6.896 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.810 -8.529 4.616 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.354 -7.235 5.750 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.131 -7.941 4.668 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.047 -10.854 5.024 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.351 -10.318 5.088 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.052 -11.219 6.454 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.906 -5.569 6.002 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.906 -4.135 6.239 1.00 0.10 C ATOM 1435 C PHE A 413 -10.228 -3.536 5.797 1.00 0.09 C ATOM 1436 O PHE A 413 -11.078 -4.227 5.237 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.779 -3.423 5.477 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.406 -4.032 5.595 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.039 -4.809 6.679 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.483 -3.819 4.592 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.777 -5.361 6.759 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.223 -4.366 4.663 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.868 -5.141 5.749 1.00 0.14 C ATOM 0 H PHE A 413 -9.166 -5.839 5.054 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.751 -3.991 7.308 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -8.048 -3.388 4.421 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.727 -2.392 5.827 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.749 -4.986 7.473 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.754 -3.214 3.739 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.503 -5.964 7.612 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.512 -4.189 3.870 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.880 -5.573 5.806 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.382 -2.247 6.040 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.568 -1.525 5.636 1.00 0.10 C ATOM 1455 C ARG A 414 -11.193 -0.182 5.021 1.00 0.09 C ATOM 1456 O ARG A 414 -10.449 0.594 5.626 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.459 -1.294 6.851 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.707 -0.492 6.564 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.397 -0.088 7.855 1.00 0.35 C ATOM 1460 NE ARG A 414 -14.695 -1.233 8.718 1.00 0.99 N ATOM 1461 CZ ARG A 414 -15.826 -1.364 9.416 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -16.730 -0.389 9.411 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -16.044 -2.462 10.130 1.00 2.09 N ATOM 0 H ARG A 414 -9.688 -1.675 6.522 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.101 -2.116 4.891 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.749 -2.261 7.263 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.880 -0.781 7.619 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.449 0.398 5.990 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.389 -1.080 5.950 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -13.764 0.615 8.396 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -15.324 0.435 7.619 1.00 0.35 H new ATOM 0 HE ARG A 414 -13.998 -1.974 8.790 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -16.560 0.461 8.873 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -17.593 -0.491 9.945 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -15.347 -3.207 10.146 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -16.908 -2.561 10.663 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.691 0.079 3.822 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.573 1.401 3.229 1.00 0.11 C ATOM 1479 C PHE A 415 -12.630 2.314 3.831 1.00 0.12 C ATOM 1480 O PHE A 415 -13.772 2.347 3.375 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.739 1.354 1.705 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.476 1.048 0.947 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.511 2.027 0.780 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.258 -0.204 0.389 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.355 1.771 0.074 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.097 -0.469 -0.321 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.144 0.520 -0.476 1.00 0.21 C ATOM 0 H PHE A 415 -12.179 -0.605 3.243 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.575 1.784 3.443 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.487 0.601 1.457 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.128 2.314 1.365 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.666 3.006 1.209 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -11.000 -0.979 0.509 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.614 2.547 -0.050 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -8.938 -1.446 -0.752 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.237 0.316 -1.025 1.00 0.21 H new ATOM 1497 N MET A 416 -12.250 3.039 4.871 1.00 0.14 N ATOM 1498 CA MET A 416 -13.177 3.924 5.564 1.00 0.17 C ATOM 1499 C MET A 416 -13.587 5.076 4.659 1.00 0.20 C ATOM 1500 O MET A 416 -14.702 5.598 4.755 1.00 0.29 O ATOM 1501 CB MET A 416 -12.552 4.456 6.855 1.00 0.23 C ATOM 1502 CG MET A 416 -12.244 3.372 7.876 1.00 0.30 C ATOM 1503 SD MET A 416 -11.473 4.015 9.374 1.00 1.30 S ATOM 1504 CE MET A 416 -12.748 5.127 9.967 1.00 1.23 C ATOM 0 H MET A 416 -11.305 3.033 5.255 1.00 0.14 H new ATOM 0 HA MET A 416 -14.068 3.352 5.824 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.631 4.986 6.611 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.229 5.183 7.303 1.00 0.23 H new ATOM 0 HG2 MET A 416 -13.167 2.857 8.141 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.585 2.631 7.424 1.00 0.30 H new ATOM 0 HE1 MET A 416 -12.594 5.324 11.028 1.00 1.23 H new ATOM 0 HE2 MET A 416 -12.700 6.064 9.413 1.00 1.23 H new ATOM 0 HE3 MET A 416 -13.726 4.669 9.821 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.690 5.461 3.770 1.00 0.18 N ATOM 1515 CA LYS A 417 -12.984 6.496 2.800 1.00 0.21 C ATOM 1516 C LYS A 417 -12.337 6.155 1.464 1.00 0.22 C ATOM 1517 O LYS A 417 -11.307 5.483 1.414 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.515 7.865 3.303 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.012 8.039 3.342 1.00 0.18 C ATOM 1520 CD LYS A 417 -10.626 9.441 3.787 1.00 0.20 C ATOM 1521 CE LYS A 417 -10.408 9.525 5.294 1.00 0.36 C ATOM 1522 NZ LYS A 417 -11.679 9.446 6.065 1.00 0.61 N ATOM 0 H LYS A 417 -11.750 5.071 3.701 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.064 6.548 2.660 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.941 8.638 2.664 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -12.913 8.025 4.305 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -10.577 7.307 4.023 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.596 7.842 2.354 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -9.715 9.746 3.272 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -11.408 10.142 3.495 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -9.748 8.716 5.607 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.901 10.460 5.532 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -11.508 9.742 7.047 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -12.387 10.073 5.633 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -12.031 8.468 6.054 1.00 0.61 H new ATOM 1536 N THR A 418 -12.958 6.610 0.391 1.00 0.24 N ATOM 1537 CA THR A 418 -12.515 6.291 -0.956 1.00 0.26 C ATOM 1538 C THR A 418 -11.656 7.416 -1.535 1.00 0.23 C ATOM 1539 O THR A 418 -11.550 8.477 -0.918 1.00 0.21 O ATOM 1540 CB THR A 418 -13.734 6.047 -1.863 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.676 7.119 -1.713 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.398 4.725 -1.519 1.00 0.40 C ATOM 0 H THR A 418 -13.782 7.210 0.427 1.00 0.24 H new ATOM 0 HA THR A 418 -11.908 5.387 -0.909 1.00 0.26 H new ATOM 0 HB THR A 418 -13.395 6.007 -2.898 1.00 0.34 H new ATOM 0 HG1 THR A 418 -14.934 7.198 -0.771 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.258 4.569 -2.170 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.685 3.912 -1.659 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.728 4.743 -0.480 1.00 0.40 H new ATOM 1550 N PRO A 419 -11.019 7.191 -2.715 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.236 8.213 -3.422 1.00 0.24 C ATOM 1552 C PRO A 419 -10.840 9.609 -3.324 1.00 0.28 C ATOM 1553 O PRO A 419 -10.177 10.544 -2.881 1.00 0.28 O ATOM 1554 CB PRO A 419 -10.291 7.716 -4.864 1.00 0.29 C ATOM 1555 CG PRO A 419 -10.271 6.232 -4.739 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.996 5.907 -3.454 1.00 0.28 C ATOM 0 HA PRO A 419 -9.234 8.323 -3.008 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -11.193 8.061 -5.370 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.442 8.079 -5.443 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.762 5.763 -5.592 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -9.248 5.857 -4.714 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -12.004 5.541 -3.647 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.478 5.132 -2.889 1.00 0.28 H new ATOM 1564 N ASP A 420 -12.107 9.730 -3.709 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.809 11.015 -3.708 1.00 0.43 C ATOM 1566 C ASP A 420 -12.722 11.715 -2.351 1.00 0.40 C ATOM 1567 O ASP A 420 -12.530 12.929 -2.274 1.00 0.44 O ATOM 1568 CB ASP A 420 -14.275 10.804 -4.086 1.00 0.55 C ATOM 1569 CG ASP A 420 -15.095 12.070 -3.956 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -14.984 12.944 -4.838 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -15.861 12.191 -2.974 1.00 0.85 O ATOM 0 H ASP A 420 -12.676 8.946 -4.029 1.00 0.34 H new ATOM 0 HA ASP A 420 -12.323 11.656 -4.443 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -14.334 10.441 -5.112 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.703 10.030 -3.449 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.845 10.938 -1.289 1.00 0.35 N ATOM 1577 CA GLU A 421 -12.814 11.466 0.066 1.00 0.35 C ATOM 1578 C GLU A 421 -11.394 11.855 0.472 1.00 0.32 C ATOM 1579 O GLU A 421 -11.180 12.820 1.211 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.375 10.414 1.016 1.00 0.34 C ATOM 1581 CG GLU A 421 -14.866 10.199 0.832 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.364 8.931 1.485 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.315 7.864 0.838 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -15.805 8.994 2.651 1.00 0.51 O ATOM 0 H GLU A 421 -12.969 9.927 -1.340 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.424 12.368 0.114 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -12.853 9.470 0.857 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.179 10.717 2.045 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.404 11.051 1.247 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.094 10.166 -0.233 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.427 11.102 -0.020 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.028 11.331 0.309 1.00 0.24 C ATOM 1593 C ILE A 422 -8.468 12.530 -0.458 1.00 0.29 C ATOM 1594 O ILE A 422 -7.642 13.282 0.068 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.185 10.079 0.003 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -8.848 8.852 0.628 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -6.767 10.251 0.537 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.311 7.537 0.118 1.00 0.18 C ATOM 0 H ILE A 422 -10.585 10.319 -0.655 1.00 0.26 H new ATOM 0 HA ILE A 422 -8.973 11.546 1.376 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.127 9.940 -1.077 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -8.716 8.892 1.709 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -9.920 8.894 0.436 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.183 9.358 0.313 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.303 11.116 0.064 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -6.800 10.402 1.616 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.832 6.716 0.610 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.467 7.473 -0.959 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.245 7.471 0.334 1.00 0.18 H new ATOM 1610 N MET A 423 -8.950 12.719 -1.688 1.00 0.36 N ATOM 1611 CA MET A 423 -8.478 13.794 -2.572 1.00 0.46 C ATOM 1612 C MET A 423 -8.800 15.178 -2.016 1.00 0.55 C ATOM 1613 O MET A 423 -8.390 16.190 -2.579 1.00 0.71 O ATOM 1614 CB MET A 423 -9.111 13.654 -3.958 1.00 0.56 C ATOM 1615 CG MET A 423 -8.745 12.369 -4.675 1.00 0.59 C ATOM 1616 SD MET A 423 -9.551 12.215 -6.282 1.00 0.83 S ATOM 1617 CE MET A 423 -8.996 10.589 -6.790 1.00 1.83 C ATOM 0 H MET A 423 -9.677 12.134 -2.101 1.00 0.36 H new ATOM 0 HA MET A 423 -7.394 13.698 -2.641 1.00 0.46 H new ATOM 0 HB2 MET A 423 -10.195 13.706 -3.858 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.806 14.501 -4.573 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.664 12.328 -4.810 1.00 0.59 H new ATOM 0 HG3 MET A 423 -9.021 11.519 -4.052 1.00 0.59 H new ATOM 0 HE1 MET A 423 -8.349 10.681 -7.662 1.00 1.83 H new ATOM 0 HE2 MET A 423 -8.442 10.122 -5.975 1.00 1.83 H new ATOM 0 HE3 MET A 423 -9.859 9.972 -7.042 1.00 1.83 H new ATOM 1627 N SER A 424 -9.514 15.212 -0.901 1.00 0.60 N ATOM 1628 CA SER A 424 -9.960 16.459 -0.302 1.00 0.72 C ATOM 1629 C SER A 424 -8.843 17.121 0.520 1.00 0.74 C ATOM 1630 O SER A 424 -9.107 17.944 1.396 1.00 0.94 O ATOM 1631 CB SER A 424 -11.194 16.191 0.565 1.00 1.07 C ATOM 1632 OG SER A 424 -11.894 17.385 0.856 1.00 1.70 O ATOM 0 H SER A 424 -9.799 14.378 -0.388 1.00 0.60 H new ATOM 0 HA SER A 424 -10.224 17.155 -1.098 1.00 0.72 H new ATOM 0 HB2 SER A 424 -11.857 15.496 0.050 1.00 1.07 H new ATOM 0 HB3 SER A 424 -10.889 15.711 1.495 1.00 1.07 H new ATOM 0 HG SER A 424 -11.261 18.070 1.158 1.00 1.70 H new ATOM 1638 N GLY A 425 -7.592 16.755 0.243 1.00 0.81 N ATOM 1639 CA GLY A 425 -6.472 17.406 0.900 1.00 1.23 C ATOM 1640 C GLY A 425 -5.489 16.434 1.523 1.00 0.79 C ATOM 1641 O GLY A 425 -4.305 16.747 1.665 1.00 1.10 O ATOM 0 H GLY A 425 -7.336 16.024 -0.421 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -5.947 18.027 0.175 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -6.852 18.072 1.674 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.968 15.251 1.886 1.00 0.59 N ATOM 1646 CA ARG A 426 -5.155 14.268 2.576 1.00 0.47 C ATOM 1647 C ARG A 426 -4.100 13.638 1.670 1.00 0.40 C ATOM 1648 O ARG A 426 -3.151 13.023 2.153 1.00 0.47 O ATOM 1649 CB ARG A 426 -6.052 13.176 3.154 1.00 0.94 C ATOM 1650 CG ARG A 426 -6.584 13.487 4.533 1.00 1.03 C ATOM 1651 CD ARG A 426 -7.600 14.618 4.530 1.00 1.41 C ATOM 1652 NE ARG A 426 -8.847 14.260 3.845 1.00 1.79 N ATOM 1653 CZ ARG A 426 -10.019 14.855 4.089 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -10.110 15.785 5.036 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -11.104 14.502 3.407 1.00 2.85 N ATOM 0 H ARG A 426 -6.927 14.951 1.710 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.626 14.788 3.375 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -6.892 13.015 2.479 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -5.491 12.242 3.194 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -7.045 12.592 4.950 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -5.753 13.752 5.187 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -7.824 14.902 5.558 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -7.163 15.492 4.046 1.00 1.41 H new ATOM 0 HE ARG A 426 -8.818 13.518 3.146 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -9.285 16.045 5.577 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -11.005 16.238 5.221 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -11.044 13.775 2.694 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -11.996 14.958 3.596 1.00 2.85 H new ATOM 1669 N THR A 427 -4.260 13.788 0.366 1.00 0.36 N ATOM 1670 CA THR A 427 -3.352 13.153 -0.574 1.00 0.33 C ATOM 1671 C THR A 427 -2.006 13.865 -0.640 1.00 0.37 C ATOM 1672 O THR A 427 -1.009 13.257 -1.003 1.00 0.38 O ATOM 1673 CB THR A 427 -3.949 13.095 -1.990 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.201 14.420 -2.473 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.240 12.299 -2.005 1.00 0.33 C ATOM 0 H THR A 427 -5.003 14.339 -0.063 1.00 0.36 H new ATOM 0 HA THR A 427 -3.200 12.139 -0.203 1.00 0.33 H new ATOM 0 HB THR A 427 -3.227 12.600 -2.639 1.00 0.35 H new ATOM 0 HG1 THR A 427 -3.466 14.701 -3.057 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.640 12.274 -3.018 1.00 0.33 H new ATOM 0 HG22 THR A 427 -5.044 11.281 -1.667 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.965 12.769 -1.340 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.980 15.144 -0.279 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.765 15.953 -0.396 1.00 0.54 C ATOM 1685 C ASP A 428 0.420 15.333 0.330 1.00 0.55 C ATOM 1686 O ASP A 428 1.512 15.213 -0.231 1.00 0.59 O ATOM 1687 CB ASP A 428 -1.003 17.357 0.106 1.00 0.67 C ATOM 1688 CG ASP A 428 -1.250 18.341 -1.017 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -2.407 18.436 -1.481 1.00 1.53 O ATOM 1690 OD2 ASP A 428 -0.293 19.015 -1.448 1.00 1.76 O ATOM 0 H ASP A 428 -2.785 15.645 0.097 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.516 15.989 -1.457 1.00 0.54 H new ATOM 0 HB2 ASP A 428 -1.860 17.358 0.780 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -0.140 17.683 0.687 1.00 0.67 H new ATOM 1695 N ARG A 429 0.202 14.938 1.574 1.00 0.54 N ATOM 1696 CA ARG A 429 1.235 14.279 2.368 1.00 0.58 C ATOM 1697 C ARG A 429 1.571 12.920 1.779 1.00 0.45 C ATOM 1698 O ARG A 429 2.706 12.480 1.844 1.00 0.46 O ATOM 1699 CB ARG A 429 0.766 14.113 3.814 1.00 0.72 C ATOM 1700 CG ARG A 429 1.864 13.671 4.767 1.00 0.88 C ATOM 1701 CD ARG A 429 1.315 13.406 6.160 1.00 1.22 C ATOM 1702 NE ARG A 429 0.538 14.539 6.668 1.00 1.86 N ATOM 1703 CZ ARG A 429 -0.074 14.554 7.850 1.00 2.48 C ATOM 1704 NH1 ARG A 429 0.055 13.528 8.687 1.00 2.68 N ATOM 1705 NH2 ARG A 429 -0.803 15.608 8.200 1.00 3.43 N ATOM 0 H ARG A 429 -0.686 15.062 2.061 1.00 0.54 H new ATOM 0 HA ARG A 429 2.129 14.902 2.352 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.354 15.059 4.163 1.00 0.72 H new ATOM 0 HB3 ARG A 429 -0.043 13.383 3.842 1.00 0.72 H new ATOM 0 HG2 ARG A 429 2.339 12.768 4.384 1.00 0.88 H new ATOM 0 HG3 ARG A 429 2.635 14.440 4.818 1.00 0.88 H new ATOM 0 HD2 ARG A 429 0.686 12.516 6.139 1.00 1.22 H new ATOM 0 HD3 ARG A 429 2.140 13.198 6.841 1.00 1.22 H new ATOM 0 HE ARG A 429 0.461 15.368 6.079 1.00 1.86 H new ATOM 0 HH11 ARG A 429 0.625 12.724 8.424 1.00 2.68 H new ATOM 0 HH12 ARG A 429 -0.416 13.545 9.591 1.00 2.68 H new ATOM 0 HH21 ARG A 429 -0.892 16.401 7.564 1.00 3.43 H new ATOM 0 HH22 ARG A 429 -1.274 15.625 9.105 1.00 3.43 H new ATOM 1719 N LEU A 430 0.583 12.272 1.183 1.00 0.38 N ATOM 1720 CA LEU A 430 0.754 10.940 0.634 1.00 0.32 C ATOM 1721 C LEU A 430 1.535 10.979 -0.674 1.00 0.30 C ATOM 1722 O LEU A 430 2.459 10.193 -0.879 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.608 10.310 0.415 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.431 10.117 1.683 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.813 9.583 1.343 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.703 9.183 2.636 1.00 0.61 C ATOM 0 H LEU A 430 -0.356 12.654 1.067 1.00 0.38 H new ATOM 0 HA LEU A 430 1.325 10.340 1.343 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.174 10.932 -0.278 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.472 9.341 -0.065 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.557 11.081 2.176 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.388 9.451 2.260 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.326 10.290 0.692 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.717 8.624 0.833 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.297 9.050 3.540 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.553 8.217 2.155 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.264 9.612 2.898 1.00 0.61 H new ATOM 1738 N GLU A 431 1.157 11.902 -1.550 1.00 0.31 N ATOM 1739 CA GLU A 431 1.870 12.131 -2.801 1.00 0.35 C ATOM 1740 C GLU A 431 3.332 12.456 -2.513 1.00 0.39 C ATOM 1741 O GLU A 431 4.226 12.160 -3.306 1.00 0.44 O ATOM 1742 CB GLU A 431 1.227 13.285 -3.567 1.00 0.39 C ATOM 1743 CG GLU A 431 -0.184 13.005 -4.052 1.00 0.50 C ATOM 1744 CD GLU A 431 -0.880 14.252 -4.573 1.00 1.35 C ATOM 1745 OE1 GLU A 431 -0.424 14.804 -5.597 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -1.883 14.686 -3.961 1.00 2.30 O ATOM 0 H GLU A 431 0.350 12.511 -1.414 1.00 0.31 H new ATOM 0 HA GLU A 431 1.816 11.227 -3.408 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.210 14.166 -2.926 1.00 0.39 H new ATOM 0 HB3 GLU A 431 1.852 13.528 -4.426 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.151 12.255 -4.842 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.768 12.582 -3.235 1.00 0.50 H new ATOM 1753 N HIS A 432 3.552 13.079 -1.365 1.00 0.39 N ATOM 1754 CA HIS A 432 4.884 13.421 -0.900 1.00 0.45 C ATOM 1755 C HIS A 432 5.542 12.200 -0.260 1.00 0.44 C ATOM 1756 O HIS A 432 6.709 11.898 -0.505 1.00 0.52 O ATOM 1757 CB HIS A 432 4.778 14.556 0.127 1.00 0.50 C ATOM 1758 CG HIS A 432 6.036 15.343 0.331 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.034 16.694 0.598 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.332 14.968 0.316 1.00 0.70 C ATOM 1761 CE1 HIS A 432 7.276 17.114 0.737 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.084 16.086 0.571 1.00 0.77 N ATOM 0 H HIS A 432 2.807 13.362 -0.728 1.00 0.39 H new ATOM 0 HA HIS A 432 5.494 13.745 -1.743 1.00 0.45 H new ATOM 0 HB2 HIS A 432 3.987 15.238 -0.187 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.472 14.133 1.084 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.708 13.972 0.136 1.00 0.70 H new ATOM 0 HE1 HIS A 432 7.580 18.128 0.951 1.00 0.91 H new ATOM 0 HE2 HIS A 432 9.102 16.117 0.624 1.00 0.77 H new ATOM 1771 N LEU A 433 4.764 11.498 0.549 1.00 0.39 N ATOM 1772 CA LEU A 433 5.271 10.423 1.385 1.00 0.40 C ATOM 1773 C LEU A 433 5.611 9.183 0.581 1.00 0.36 C ATOM 1774 O LEU A 433 6.635 8.569 0.820 1.00 0.35 O ATOM 1775 CB LEU A 433 4.248 10.063 2.462 1.00 0.53 C ATOM 1776 CG LEU A 433 4.838 9.577 3.787 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.456 8.195 3.643 1.00 0.91 C ATOM 1778 CD2 LEU A 433 5.877 10.568 4.278 1.00 0.73 C ATOM 0 H LEU A 433 3.761 11.659 0.644 1.00 0.39 H new ATOM 0 HA LEU A 433 6.189 10.785 1.848 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.628 10.938 2.658 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.590 9.288 2.070 1.00 0.53 H new ATOM 0 HG LEU A 433 4.031 9.506 4.516 1.00 0.43 H new ATOM 0 HD11 LEU A 433 5.866 7.878 4.602 1.00 0.91 H new ATOM 0 HD12 LEU A 433 4.692 7.486 3.323 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.253 8.229 2.900 1.00 0.91 H new ATOM 0 HD21 LEU A 433 6.295 10.219 5.222 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.673 10.656 3.539 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.410 11.542 4.426 1.00 0.73 H new ATOM 1790 N GLU A 434 4.758 8.809 -0.359 1.00 0.40 N ATOM 1791 CA GLU A 434 4.948 7.560 -1.088 1.00 0.45 C ATOM 1792 C GLU A 434 6.258 7.514 -1.842 1.00 0.45 C ATOM 1793 O GLU A 434 6.752 6.445 -2.139 1.00 0.56 O ATOM 1794 CB GLU A 434 3.778 7.274 -2.011 1.00 0.66 C ATOM 1795 CG GLU A 434 2.509 6.952 -1.249 1.00 0.80 C ATOM 1796 CD GLU A 434 1.464 6.270 -2.100 1.00 1.20 C ATOM 1797 OE1 GLU A 434 1.836 5.488 -3.000 1.00 1.47 O ATOM 1798 OE2 GLU A 434 0.266 6.495 -1.858 1.00 1.75 O ATOM 0 H GLU A 434 3.935 9.344 -0.635 1.00 0.40 H new ATOM 0 HA GLU A 434 4.991 6.771 -0.337 1.00 0.45 H new ATOM 0 HB2 GLU A 434 3.605 8.138 -2.652 1.00 0.66 H new ATOM 0 HB3 GLU A 434 4.029 6.438 -2.664 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.754 6.311 -0.402 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.093 7.874 -0.842 1.00 0.80 H new ATOM 1805 N SER A 435 6.818 8.658 -2.147 1.00 0.46 N ATOM 1806 CA SER A 435 8.158 8.714 -2.657 1.00 0.53 C ATOM 1807 C SER A 435 9.173 8.449 -1.550 1.00 0.50 C ATOM 1808 O SER A 435 10.172 7.749 -1.732 1.00 0.58 O ATOM 1809 CB SER A 435 8.394 10.082 -3.217 1.00 0.62 C ATOM 1810 OG SER A 435 7.734 10.270 -4.459 1.00 1.01 O ATOM 0 H SER A 435 6.361 9.565 -2.049 1.00 0.46 H new ATOM 0 HA SER A 435 8.278 7.951 -3.426 1.00 0.53 H new ATOM 0 HB2 SER A 435 8.046 10.830 -2.505 1.00 0.62 H new ATOM 0 HB3 SER A 435 9.464 10.240 -3.348 1.00 0.62 H new ATOM 0 HG SER A 435 7.911 11.175 -4.790 1.00 1.01 H new ATOM 1816 N GLN A 436 8.889 9.032 -0.405 1.00 0.43 N ATOM 1817 CA GLN A 436 9.794 9.026 0.740 1.00 0.48 C ATOM 1818 C GLN A 436 9.821 7.677 1.445 1.00 0.45 C ATOM 1819 O GLN A 436 10.881 7.217 1.838 1.00 0.51 O ATOM 1820 CB GLN A 436 9.412 10.119 1.735 1.00 0.52 C ATOM 1821 CG GLN A 436 9.587 11.524 1.188 1.00 0.77 C ATOM 1822 CD GLN A 436 9.433 12.585 2.259 1.00 0.77 C ATOM 1823 OE1 GLN A 436 8.673 12.421 3.213 1.00 1.27 O ATOM 1824 NE2 GLN A 436 10.174 13.670 2.119 1.00 1.38 N ATOM 0 H GLN A 436 8.016 9.531 -0.234 1.00 0.43 H new ATOM 0 HA GLN A 436 10.794 9.221 0.353 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.373 9.981 2.033 1.00 0.52 H new ATOM 0 HB3 GLN A 436 10.019 10.009 2.634 1.00 0.52 H new ATOM 0 HG2 GLN A 436 10.573 11.613 0.732 1.00 0.77 H new ATOM 0 HG3 GLN A 436 8.854 11.698 0.400 1.00 0.77 H new ATOM 0 HE21 GLN A 436 10.791 13.766 1.312 1.00 1.38 H new ATOM 0 HE22 GLN A 436 10.129 14.412 2.818 1.00 1.38 H new ATOM 1833 N VAL A 437 8.659 7.053 1.612 1.00 0.38 N ATOM 1834 CA VAL A 437 8.575 5.728 2.235 1.00 0.38 C ATOM 1835 C VAL A 437 9.459 4.733 1.496 1.00 0.42 C ATOM 1836 O VAL A 437 10.089 3.858 2.096 1.00 0.49 O ATOM 1837 CB VAL A 437 7.111 5.216 2.297 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.342 5.569 1.045 1.00 0.31 C ATOM 1839 CG2 VAL A 437 7.066 3.718 2.513 1.00 0.38 C ATOM 0 H VAL A 437 7.760 7.440 1.326 1.00 0.38 H new ATOM 0 HA VAL A 437 8.934 5.822 3.260 1.00 0.38 H new ATOM 0 HB VAL A 437 6.639 5.713 3.144 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.322 5.194 1.127 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.322 6.652 0.924 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.827 5.116 0.180 1.00 0.31 H new ATOM 0 HG21 VAL A 437 6.028 3.387 2.552 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.576 3.216 1.691 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.561 3.471 3.452 1.00 0.38 H new ATOM 1849 N LEU A 438 9.552 4.926 0.197 1.00 0.41 N ATOM 1850 CA LEU A 438 10.348 4.076 -0.666 1.00 0.48 C ATOM 1851 C LEU A 438 11.838 4.352 -0.482 1.00 0.55 C ATOM 1852 O LEU A 438 12.688 3.634 -1.005 1.00 0.62 O ATOM 1853 CB LEU A 438 9.920 4.335 -2.105 1.00 0.48 C ATOM 1854 CG LEU A 438 8.425 4.122 -2.349 1.00 0.47 C ATOM 1855 CD1 LEU A 438 8.050 4.429 -3.785 1.00 0.51 C ATOM 1856 CD2 LEU A 438 8.012 2.709 -1.975 1.00 0.54 C ATOM 0 H LEU A 438 9.075 5.682 -0.294 1.00 0.41 H new ATOM 0 HA LEU A 438 10.185 3.029 -0.411 1.00 0.48 H new ATOM 0 HB2 LEU A 438 10.181 5.359 -2.374 1.00 0.48 H new ATOM 0 HB3 LEU A 438 10.484 3.678 -2.767 1.00 0.48 H new ATOM 0 HG LEU A 438 7.883 4.818 -1.708 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.981 4.267 -3.924 1.00 0.51 H new ATOM 0 HD12 LEU A 438 8.292 5.468 -4.010 1.00 0.51 H new ATOM 0 HD13 LEU A 438 8.606 3.773 -4.455 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.945 2.582 -2.157 1.00 0.54 H new ATOM 0 HD22 LEU A 438 8.571 1.995 -2.579 1.00 0.54 H new ATOM 0 HD23 LEU A 438 8.223 2.535 -0.920 1.00 0.54 H new