USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 874 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 421 HIS : no HE2:sc= -5.58! C(o=-16!,f=-21!) USER MOD Set 1.2: A 426 GLN : amide:sc= -5.29! C(o=-16!,f=-20!) USER MOD Set 1.3: A 439 SER OG : rot -113:sc= -0.296 USER MOD Set 1.4: A 442 CYS SG : rot 140:sc= -1.04 USER MOD Set 1.5: A 444 ASN : amide:sc= -3.47! C(o=-16!,f=-15!) USER MOD Set 2.1: A 370 SER OG : rot 48:sc= 0.447 USER MOD Set 2.2: A 377 THR OG1 : rot -129:sc= 1.06 USER MOD Set 3.1: A 374 THR OG1 : rot 180:sc= -1.62! USER MOD Set 3.2: A 375 THR OG1 : rot -150:sc= 0 USER MOD Set 3.3: A 440 HIS : no HD1:sc= -0.319 K(o=-1.9,f=-2.6) USER MOD Single : A 343 THR OG1 : rot 25:sc= 0.0714 USER MOD Single : A 344 TYR OH : rot -60:sc= 0.0147 USER MOD Single : A 351 ASN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 352 GLN : amide:sc= -7.08! C(o=-7.1!,f=-7.2!) USER MOD Single : A 353 HIS : no HE2:sc= -3.29! C(o=-3.3!,f=-2.9!) USER MOD Single : A 354 MET CE :methyl -176:sc= -6.61! (180deg=-6.93!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 39:sc= 0.0207 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 80:sc= -1.78 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN : amide:sc= -1.75 K(o=-1.7,f=-0.37) USER MOD Single : A 387 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.16) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 46:sc= -5.79! USER MOD Single : A 408 ASN : amide:sc= -3.23! C(o=-3.2!,f=-4.1!) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 MET CE :methyl -172:sc= -8.53! (180deg=-8.91!) USER MOD Single : A 416 THR OG1 : rot 13:sc= 1.12 USER MOD Single : A 423 SER OG : rot -74:sc= -3.05! USER MOD Single : A 429 TYR OH : rot -147:sc= -0.0516 USER MOD Single : A 435 LYS NZ :NH3+ 140:sc= 0.622 (180deg=-0.441) USER MOD Single : A 436 THR OG1 : rot -29:sc= 0.859 USER MOD Single : A 445 THR OG1 : rot -149:sc= 1.01 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 450 MET CE :methyl 140:sc= -3.12 (180deg=-6.91!) USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 178:sc= -4.57! (180deg=-4.67!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 343 -16.123 0.567 4.294 1.00 0.23 N ATOM 73 CA THR A 343 -15.478 1.004 3.100 1.00 0.19 C ATOM 74 C THR A 343 -14.064 1.415 3.476 1.00 0.13 C ATOM 75 O THR A 343 -13.862 2.293 4.314 1.00 0.16 O ATOM 76 CB THR A 343 -16.223 2.191 2.500 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.583 1.826 2.220 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.540 2.648 1.240 1.00 0.20 C ATOM 0 HA THR A 343 -15.467 0.206 2.357 1.00 0.19 H new ATOM 0 HB THR A 343 -16.218 3.011 3.218 1.00 0.24 H new ATOM 0 HG1 THR A 343 -17.850 1.086 2.805 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.081 3.496 0.820 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.517 2.947 1.469 1.00 0.20 H new ATOM 0 HG23 THR A 343 -15.527 1.832 0.517 1.00 0.20 H new ATOM 86 N TYR A 344 -13.110 0.778 2.844 1.00 0.10 N ATOM 87 CA TYR A 344 -11.710 0.947 3.148 1.00 0.07 C ATOM 88 C TYR A 344 -10.862 0.573 1.964 1.00 0.06 C ATOM 89 O TYR A 344 -11.355 0.375 0.864 1.00 0.08 O ATOM 90 CB TYR A 344 -11.287 0.056 4.309 1.00 0.08 C ATOM 91 CG TYR A 344 -11.845 -1.347 4.273 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.205 -2.364 3.581 1.00 0.14 C ATOM 93 CD2 TYR A 344 -13.019 -1.645 4.930 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.728 -3.641 3.546 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.554 -2.913 4.899 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.906 -3.910 4.207 1.00 0.25 C ATOM 97 OH TYR A 344 -13.447 -5.173 4.156 1.00 0.32 O ATOM 0 H TYR A 344 -13.288 0.115 2.090 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.568 1.996 3.408 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.199 -0.002 4.325 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.594 0.529 5.241 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.282 -2.154 3.061 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.530 -0.868 5.480 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.217 -4.423 3.004 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.479 -3.124 5.416 1.00 0.25 H new ATOM 0 HH TYR A 344 -13.638 -5.410 3.224 1.00 0.32 H new ATOM 107 N ILE A 345 -9.570 0.509 2.200 1.00 0.05 N ATOM 108 CA ILE A 345 -8.671 -0.088 1.251 1.00 0.05 C ATOM 109 C ILE A 345 -8.261 -1.448 1.776 1.00 0.05 C ATOM 110 O ILE A 345 -8.413 -1.695 2.959 1.00 0.08 O ATOM 111 CB ILE A 345 -7.419 0.765 1.009 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.781 2.222 0.892 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.759 0.307 -0.270 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.790 2.432 -0.176 1.00 0.07 C ATOM 0 H ILE A 345 -9.123 0.865 3.045 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.190 -0.171 0.296 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.738 0.646 1.852 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.173 2.581 1.844 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.887 2.807 0.674 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.867 0.906 -0.454 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.479 -0.743 -0.179 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.454 0.427 -1.101 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.035 3.492 -0.241 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.386 2.094 -1.130 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.691 1.865 0.058 1.00 0.07 H new ATOM 126 N GLU A 346 -7.757 -2.329 0.930 1.00 0.05 N ATOM 127 CA GLU A 346 -7.352 -3.649 1.399 1.00 0.05 C ATOM 128 C GLU A 346 -6.107 -4.112 0.707 1.00 0.05 C ATOM 129 O GLU A 346 -5.758 -3.633 -0.349 1.00 0.06 O ATOM 130 CB GLU A 346 -8.468 -4.658 1.175 1.00 0.06 C ATOM 131 CG GLU A 346 -8.666 -5.549 2.349 1.00 0.07 C ATOM 132 CD GLU A 346 -9.668 -6.663 2.122 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.390 -7.579 1.311 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.733 -6.641 2.768 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.619 -2.163 -0.067 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.145 -3.572 2.466 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.397 -4.128 0.963 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.238 -5.262 0.298 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.707 -5.989 2.623 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -8.995 -4.947 3.196 1.00 0.07 H new ATOM 141 N VAL A 347 -5.409 -4.994 1.373 1.00 0.05 N ATOM 142 CA VAL A 347 -4.167 -5.545 0.904 1.00 0.05 C ATOM 143 C VAL A 347 -3.992 -6.928 1.450 1.00 0.07 C ATOM 144 O VAL A 347 -4.259 -7.190 2.620 1.00 0.08 O ATOM 145 CB VAL A 347 -2.981 -4.715 1.397 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.678 -5.421 1.085 1.00 0.06 C ATOM 147 CG2 VAL A 347 -2.985 -3.338 0.796 1.00 0.06 C ATOM 0 H VAL A 347 -5.697 -5.358 2.281 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.198 -5.548 -0.186 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.077 -4.607 2.477 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.843 -4.818 1.442 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.662 -6.392 1.580 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.589 -5.562 0.008 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.128 -2.776 1.168 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -2.925 -3.415 -0.290 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -3.905 -2.823 1.073 1.00 0.06 H new ATOM 157 N ASP A 348 -3.525 -7.790 0.603 1.00 0.08 N ATOM 158 CA ASP A 348 -3.139 -9.107 1.009 1.00 0.11 C ATOM 159 C ASP A 348 -1.666 -9.265 0.736 1.00 0.15 C ATOM 160 O ASP A 348 -1.234 -9.133 -0.406 1.00 0.24 O ATOM 161 CB ASP A 348 -3.969 -10.135 0.270 1.00 0.14 C ATOM 162 CG ASP A 348 -3.736 -11.565 0.724 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.585 -11.942 1.009 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.717 -12.333 0.784 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.400 -7.602 -0.392 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.318 -9.259 2.073 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.024 -9.893 0.396 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.751 -10.064 -0.796 1.00 0.14 H new ATOM 169 N LEU A 349 -0.898 -9.479 1.768 1.00 0.13 N ATOM 170 CA LEU A 349 0.537 -9.584 1.626 1.00 0.14 C ATOM 171 C LEU A 349 0.897 -10.893 0.970 1.00 0.20 C ATOM 172 O LEU A 349 1.705 -10.949 0.044 1.00 0.32 O ATOM 173 CB LEU A 349 1.201 -9.506 3.002 1.00 0.16 C ATOM 174 CG LEU A 349 0.983 -8.229 3.793 1.00 0.14 C ATOM 175 CD1 LEU A 349 1.007 -7.030 2.903 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.310 -8.276 4.544 1.00 0.12 C ATOM 0 H LEU A 349 -1.239 -9.585 2.723 1.00 0.13 H new ATOM 0 HA LEU A 349 0.890 -8.761 1.004 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.842 -10.343 3.601 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.274 -9.646 2.870 1.00 0.16 H new ATOM 0 HG LEU A 349 1.802 -8.148 4.508 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.848 -6.131 3.499 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.973 -6.967 2.403 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.217 -7.115 2.157 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.441 -7.349 5.102 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.135 -8.396 3.841 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.298 -9.117 5.237 1.00 0.12 H new ATOM 188 N GLU A 350 0.256 -11.919 1.454 1.00 0.20 N ATOM 189 CA GLU A 350 0.479 -13.279 1.015 1.00 0.24 C ATOM 190 C GLU A 350 0.151 -13.485 -0.449 1.00 0.22 C ATOM 191 O GLU A 350 0.859 -14.179 -1.174 1.00 0.31 O ATOM 192 CB GLU A 350 -0.405 -14.154 1.823 1.00 0.31 C ATOM 193 CG GLU A 350 0.112 -14.375 3.215 1.00 0.41 C ATOM 194 CD GLU A 350 1.218 -15.406 3.279 1.00 0.84 C ATOM 195 OE1 GLU A 350 2.401 -15.029 3.140 1.00 0.96 O1- ATOM 196 OE2 GLU A 350 0.915 -16.600 3.477 1.00 1.51 O ATOM 0 H GLU A 350 -0.454 -11.837 2.182 1.00 0.20 H new ATOM 0 HA GLU A 350 1.536 -13.513 1.144 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.399 -13.710 1.876 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.512 -15.116 1.323 1.00 0.31 H new ATOM 0 HG2 GLU A 350 0.480 -13.430 3.614 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -0.711 -14.693 3.856 1.00 0.41 H new ATOM 203 N ASN A 351 -0.987 -12.950 -0.838 1.00 0.18 N ATOM 204 CA ASN A 351 -1.504 -13.129 -2.174 1.00 0.19 C ATOM 205 C ASN A 351 -1.352 -11.839 -2.933 1.00 0.21 C ATOM 206 O ASN A 351 -2.013 -11.612 -3.946 1.00 0.35 O ATOM 207 CB ASN A 351 -2.974 -13.550 -2.122 1.00 0.27 C ATOM 208 CG ASN A 351 -3.175 -14.861 -1.394 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.108 -15.937 -1.988 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.432 -14.779 -0.101 1.00 0.39 N ATOM 0 H ASN A 351 -1.579 -12.379 -0.235 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.945 -13.916 -2.681 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.555 -12.771 -1.628 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.359 -13.639 -3.138 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.584 -15.628 0.444 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.479 -13.867 0.353 1.00 0.39 H new ATOM 217 N GLN A 352 -0.465 -11.004 -2.374 1.00 0.12 N ATOM 218 CA GLN A 352 0.010 -9.761 -2.997 1.00 0.11 C ATOM 219 C GLN A 352 -1.061 -9.071 -3.823 1.00 0.11 C ATOM 220 O GLN A 352 -0.948 -8.972 -5.046 1.00 0.18 O ATOM 221 CB GLN A 352 1.211 -10.010 -3.903 1.00 0.18 C ATOM 222 CG GLN A 352 2.418 -10.667 -3.242 1.00 0.30 C ATOM 223 CD GLN A 352 2.211 -12.123 -2.936 1.00 1.41 C ATOM 224 OE1 GLN A 352 1.507 -12.837 -3.646 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.800 -12.560 -1.847 1.00 1.92 N ATOM 0 H GLN A 352 -0.050 -11.177 -1.459 1.00 0.12 H new ATOM 0 HA GLN A 352 0.291 -9.115 -2.165 1.00 0.11 H new ATOM 0 HB2 GLN A 352 0.890 -10.637 -4.735 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.527 -9.056 -4.326 1.00 0.18 H new ATOM 0 HG2 GLN A 352 3.284 -10.560 -3.895 1.00 0.30 H new ATOM 0 HG3 GLN A 352 2.649 -10.138 -2.317 1.00 0.30 H new ATOM 0 HE21 GLN A 352 3.375 -11.928 -1.290 1.00 1.92 H new ATOM 0 HE22 GLN A 352 2.682 -13.531 -1.558 1.00 1.92 H new ATOM 234 N HIS A 353 -2.061 -8.549 -3.158 1.00 0.07 N ATOM 235 CA HIS A 353 -3.181 -7.925 -3.854 1.00 0.07 C ATOM 236 C HIS A 353 -3.806 -6.858 -2.965 1.00 0.06 C ATOM 237 O HIS A 353 -4.164 -7.113 -1.830 1.00 0.07 O ATOM 238 CB HIS A 353 -4.230 -8.980 -4.199 1.00 0.08 C ATOM 239 CG HIS A 353 -5.102 -8.608 -5.363 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.835 -8.960 -6.670 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.251 -7.908 -5.403 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.789 -8.485 -7.452 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.663 -7.846 -6.706 1.00 0.13 N ATOM 0 H HIS A 353 -2.132 -8.539 -2.141 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.818 -7.465 -4.773 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.726 -9.921 -4.420 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.859 -9.153 -3.326 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -4.029 -9.501 -6.983 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.759 -7.472 -4.555 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.842 -8.602 -8.524 1.00 0.13 H new ATOM 252 N MET A 354 -3.892 -5.665 -3.489 1.00 0.05 N ATOM 253 CA MET A 354 -4.447 -4.538 -2.792 1.00 0.05 C ATOM 254 C MET A 354 -5.763 -4.123 -3.426 1.00 0.04 C ATOM 255 O MET A 354 -5.855 -3.919 -4.631 1.00 0.05 O ATOM 256 CB MET A 354 -3.436 -3.412 -2.845 1.00 0.05 C ATOM 257 CG MET A 354 -3.896 -2.184 -2.116 1.00 0.06 C ATOM 258 SD MET A 354 -3.590 -0.677 -3.015 1.00 0.06 S ATOM 259 CE MET A 354 -4.644 -1.037 -4.381 1.00 0.06 C ATOM 0 H MET A 354 -3.571 -5.446 -4.432 1.00 0.05 H new ATOM 0 HA MET A 354 -4.655 -4.795 -1.753 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.495 -3.754 -2.414 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.236 -3.158 -3.886 1.00 0.05 H new ATOM 0 HG2 MET A 354 -4.964 -2.268 -1.914 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.392 -2.132 -1.151 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.558 -0.245 -5.125 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.350 -1.987 -4.827 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.676 -1.101 -4.037 1.00 0.06 H new ATOM 269 N TRP A 355 -6.771 -4.027 -2.582 1.00 0.05 N ATOM 270 CA TRP A 355 -8.127 -3.721 -2.990 1.00 0.05 C ATOM 271 C TRP A 355 -8.561 -2.375 -2.505 1.00 0.05 C ATOM 272 O TRP A 355 -7.887 -1.753 -1.716 1.00 0.05 O ATOM 273 CB TRP A 355 -9.121 -4.713 -2.426 1.00 0.06 C ATOM 274 CG TRP A 355 -9.000 -6.075 -2.970 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.610 -6.546 -4.074 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.242 -7.146 -2.421 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.269 -7.848 -4.279 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.427 -8.253 -3.260 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.421 -7.269 -1.302 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.810 -9.479 -3.006 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.816 -8.472 -1.053 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.010 -9.567 -1.900 1.00 0.10 C ATOM 0 H TRP A 355 -6.669 -4.162 -1.576 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.115 -3.758 -4.079 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -8.998 -4.755 -1.344 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.129 -4.347 -2.618 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.274 -5.974 -4.705 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.583 -8.429 -5.056 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.264 -6.429 -0.642 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.959 -10.327 -3.659 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.178 -8.577 -0.188 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.518 -10.502 -1.676 1.00 0.10 H new ATOM 293 N TYR A 356 -9.724 -1.970 -2.947 1.00 0.06 N ATOM 294 CA TYR A 356 -10.434 -0.888 -2.319 1.00 0.06 C ATOM 295 C TYR A 356 -11.788 -1.423 -2.010 1.00 0.06 C ATOM 296 O TYR A 356 -12.500 -1.829 -2.888 1.00 0.07 O ATOM 297 CB TYR A 356 -10.520 0.341 -3.211 1.00 0.06 C ATOM 298 CG TYR A 356 -11.305 1.505 -2.569 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.575 1.315 -2.065 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.772 2.790 -2.455 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.281 2.342 -1.473 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.481 3.821 -1.861 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.718 3.633 -1.442 1.00 0.13 C ATOM 304 OH TYR A 356 -13.440 4.604 -0.778 1.00 0.20 O ATOM 0 H TYR A 356 -10.203 -2.380 -3.749 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.914 -0.554 -1.421 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.512 0.680 -3.450 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -10.996 0.066 -4.152 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.028 0.337 -2.136 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.782 2.985 -2.840 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.253 2.159 -1.039 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.017 4.789 -1.740 1.00 0.09 H new ATOM 0 HH TYR A 356 -12.957 5.456 -0.818 1.00 0.20 H new ATOM 314 N TYR A 357 -12.118 -1.498 -0.759 1.00 0.09 N ATOM 315 CA TYR A 357 -13.412 -1.991 -0.402 1.00 0.11 C ATOM 316 C TYR A 357 -14.377 -0.877 -0.157 1.00 0.12 C ATOM 317 O TYR A 357 -14.150 0.005 0.646 1.00 0.14 O ATOM 318 CB TYR A 357 -13.380 -2.906 0.806 1.00 0.12 C ATOM 319 CG TYR A 357 -12.997 -4.312 0.467 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.703 -4.629 0.083 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.927 -5.325 0.548 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.352 -5.927 -0.219 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.591 -6.620 0.256 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.278 -6.902 -0.186 1.00 0.14 C ATOM 325 OH TYR A 357 -11.959 -8.218 -0.432 1.00 0.18 O ATOM 0 H TYR A 357 -11.520 -1.229 0.022 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.749 -2.576 -1.258 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.674 -2.510 1.536 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.362 -2.907 1.280 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.960 -3.848 0.020 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.939 -5.094 0.847 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.331 -6.162 -0.483 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.317 -7.413 0.362 1.00 0.16 H new ATOM 0 HH TYR A 357 -11.092 -8.426 -0.025 1.00 0.18 H new ATOM 335 N LYS A 358 -15.453 -0.954 -0.866 1.00 0.12 N ATOM 336 CA LYS A 358 -16.549 -0.115 -0.715 1.00 0.14 C ATOM 337 C LYS A 358 -17.787 -0.918 -0.812 1.00 0.17 C ATOM 338 O LYS A 358 -17.900 -1.824 -1.629 1.00 0.19 O ATOM 339 CB LYS A 358 -16.605 0.910 -1.740 1.00 0.18 C ATOM 340 CG LYS A 358 -17.598 1.842 -1.298 1.00 0.24 C ATOM 341 CD LYS A 358 -17.650 3.003 -2.145 1.00 0.28 C ATOM 342 CE LYS A 358 -16.330 3.660 -2.287 1.00 0.42 C ATOM 343 NZ LYS A 358 -16.383 4.884 -3.128 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.578 -1.649 -1.602 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.454 0.371 0.256 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.637 1.396 -1.861 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.871 0.483 -2.707 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.574 1.356 -1.286 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -17.381 2.147 -0.274 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.017 2.714 -3.130 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -18.365 3.716 -1.735 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -15.951 3.920 -1.299 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -15.623 2.955 -2.724 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -15.433 5.302 -3.193 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -16.718 4.636 -4.081 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.035 5.572 -2.700 1.00 0.47 H new ATOM 357 N ASP A 359 -18.712 -0.554 0.038 1.00 0.23 N ATOM 358 CA ASP A 359 -20.028 -1.135 0.049 1.00 0.30 C ATOM 359 C ASP A 359 -19.921 -2.577 0.426 1.00 0.27 C ATOM 360 O ASP A 359 -20.857 -3.364 0.302 1.00 0.33 O ATOM 361 CB ASP A 359 -20.657 -0.954 -1.317 1.00 0.34 C ATOM 362 CG ASP A 359 -22.170 -0.895 -1.273 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.714 0.068 -0.693 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.825 -1.824 -1.794 1.00 0.60 O ATOM 0 H ASP A 359 -18.570 0.163 0.750 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.666 -0.642 0.783 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.277 -0.037 -1.766 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.350 -1.776 -1.963 1.00 0.34 H new ATOM 369 N GLY A 360 -18.740 -2.874 0.943 1.00 0.22 N ATOM 370 CA GLY A 360 -18.416 -4.184 1.383 1.00 0.21 C ATOM 371 C GLY A 360 -17.982 -5.070 0.244 1.00 0.19 C ATOM 372 O GLY A 360 -17.916 -6.294 0.352 1.00 0.23 O ATOM 0 H GLY A 360 -17.988 -2.196 1.062 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.619 -4.131 2.125 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.282 -4.625 1.876 1.00 0.21 H new ATOM 376 N LYS A 361 -17.673 -4.395 -0.822 1.00 0.16 N ATOM 377 CA LYS A 361 -17.345 -4.939 -2.102 1.00 0.17 C ATOM 378 C LYS A 361 -16.065 -4.240 -2.514 1.00 0.13 C ATOM 379 O LYS A 361 -15.637 -3.338 -1.811 1.00 0.15 O ATOM 380 CB LYS A 361 -18.539 -4.589 -2.991 1.00 0.22 C ATOM 381 CG LYS A 361 -18.222 -4.015 -4.341 1.00 0.32 C ATOM 382 CD LYS A 361 -18.431 -4.992 -5.466 1.00 0.55 C ATOM 383 CE LYS A 361 -17.846 -6.321 -5.124 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.729 -7.222 -6.298 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.642 -3.375 -0.817 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.178 -6.015 -2.145 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.134 -5.491 -3.135 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.166 -3.876 -2.456 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.845 -3.137 -4.511 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.186 -3.677 -4.350 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.497 -5.099 -5.668 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -17.970 -4.610 -6.377 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.859 -6.175 -4.685 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.465 -6.800 -4.365 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.317 -8.129 -6.000 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.672 -7.387 -6.704 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.116 -6.782 -7.014 1.00 0.68 H new ATOM 398 N VAL A 362 -15.417 -4.613 -3.589 1.00 0.10 N ATOM 399 CA VAL A 362 -14.258 -3.855 -3.953 1.00 0.09 C ATOM 400 C VAL A 362 -14.541 -2.931 -5.078 1.00 0.09 C ATOM 401 O VAL A 362 -15.261 -3.211 -6.039 1.00 0.11 O ATOM 402 CB VAL A 362 -12.974 -4.639 -4.239 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.705 -5.666 -3.181 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.969 -5.245 -5.603 1.00 0.52 C ATOM 0 H VAL A 362 -15.658 -5.396 -4.197 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.044 -3.302 -3.039 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.157 -3.918 -4.213 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.786 -6.201 -3.419 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.598 -5.173 -2.215 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.535 -6.371 -3.139 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.037 -5.790 -5.756 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.810 -5.931 -5.699 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.056 -4.457 -6.351 1.00 0.52 H new ATOM 414 N ALA A 363 -13.978 -1.805 -4.858 1.00 0.09 N ATOM 415 CA ALA A 363 -13.992 -0.702 -5.728 1.00 0.10 C ATOM 416 C ALA A 363 -12.772 -0.768 -6.586 1.00 0.10 C ATOM 417 O ALA A 363 -12.717 -0.217 -7.686 1.00 0.12 O ATOM 418 CB ALA A 363 -13.918 0.512 -4.862 1.00 0.11 C ATOM 0 H ALA A 363 -13.458 -1.620 -4.000 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.880 -0.686 -6.360 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -13.925 1.405 -5.486 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.776 0.532 -4.190 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -12.999 0.486 -4.277 1.00 0.11 H new ATOM 424 N LEU A 364 -11.781 -1.457 -6.055 1.00 0.08 N ATOM 425 CA LEU A 364 -10.503 -1.491 -6.673 1.00 0.07 C ATOM 426 C LEU A 364 -9.793 -2.757 -6.250 1.00 0.06 C ATOM 427 O LEU A 364 -10.101 -3.323 -5.204 1.00 0.08 O ATOM 428 CB LEU A 364 -9.687 -0.254 -6.320 1.00 0.06 C ATOM 429 CG LEU A 364 -8.722 0.127 -7.421 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.381 0.963 -8.485 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.514 0.849 -6.919 1.00 0.06 C ATOM 0 H LEU A 364 -11.853 -1.998 -5.193 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.623 -1.489 -7.756 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.361 0.580 -6.125 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.132 -0.437 -5.400 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.400 -0.821 -7.851 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.651 1.213 -9.255 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.202 0.402 -8.932 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.768 1.880 -8.040 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.862 1.094 -7.757 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.821 1.767 -6.418 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -6.977 0.213 -6.215 1.00 0.06 H new ATOM 443 N GLU A 365 -8.877 -3.208 -7.074 1.00 0.07 N ATOM 444 CA GLU A 365 -8.167 -4.468 -6.850 1.00 0.07 C ATOM 445 C GLU A 365 -6.962 -4.532 -7.734 1.00 0.07 C ATOM 446 O GLU A 365 -7.073 -4.442 -8.955 1.00 0.09 O ATOM 447 CB GLU A 365 -9.005 -5.705 -7.158 1.00 0.09 C ATOM 448 CG GLU A 365 -10.404 -5.408 -7.664 1.00 0.22 C ATOM 449 CD GLU A 365 -10.980 -6.523 -8.509 1.00 0.26 C ATOM 450 OE1 GLU A 365 -11.417 -7.546 -7.937 1.00 0.61 O ATOM 451 OE2 GLU A 365 -11.007 -6.384 -9.748 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.595 -2.719 -7.923 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.911 -4.476 -5.791 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.483 -6.306 -7.903 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.080 -6.311 -6.255 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.061 -5.229 -6.813 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.384 -4.489 -8.250 1.00 0.22 H new ATOM 458 N THR A 366 -5.812 -4.679 -7.142 1.00 0.06 N ATOM 459 CA THR A 366 -4.633 -4.856 -7.916 1.00 0.06 C ATOM 460 C THR A 366 -3.618 -5.724 -7.225 1.00 0.06 C ATOM 461 O THR A 366 -3.712 -6.032 -6.047 1.00 0.07 O ATOM 462 CB THR A 366 -4.043 -3.502 -8.283 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.826 -3.657 -9.000 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.814 -2.702 -7.033 1.00 0.07 C ATOM 0 H THR A 366 -5.673 -4.679 -6.132 1.00 0.06 H new ATOM 0 HA THR A 366 -4.912 -5.380 -8.830 1.00 0.06 H new ATOM 0 HB THR A 366 -4.746 -2.974 -8.927 1.00 0.07 H new ATOM 0 HG1 THR A 366 -3.023 -3.864 -9.937 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.391 -1.732 -7.294 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.762 -2.557 -6.515 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.122 -3.235 -6.381 1.00 0.07 H new ATOM 472 N ASP A 367 -2.672 -6.106 -8.013 1.00 0.07 N ATOM 473 CA ASP A 367 -1.547 -6.875 -7.625 1.00 0.10 C ATOM 474 C ASP A 367 -0.517 -5.934 -7.072 1.00 0.10 C ATOM 475 O ASP A 367 -0.373 -4.812 -7.554 1.00 0.11 O ATOM 476 CB ASP A 367 -1.037 -7.584 -8.867 1.00 0.15 C ATOM 477 CG ASP A 367 -1.053 -6.708 -10.118 1.00 1.14 C ATOM 478 OD1 ASP A 367 -2.140 -6.353 -10.600 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.040 -6.353 -10.619 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.667 -5.873 -9.006 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.788 -7.616 -6.863 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.019 -7.928 -8.687 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.646 -8.470 -9.046 1.00 0.15 H new ATOM 484 N ILE A 368 0.130 -6.363 -6.012 1.00 0.09 N ATOM 485 CA ILE A 368 1.102 -5.536 -5.325 1.00 0.09 C ATOM 486 C ILE A 368 2.278 -6.349 -4.817 1.00 0.09 C ATOM 487 O ILE A 368 2.407 -7.534 -5.105 1.00 0.11 O ATOM 488 CB ILE A 368 0.471 -4.813 -4.135 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.225 -5.832 -3.253 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.480 -3.725 -4.602 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.539 -6.155 -1.996 1.00 0.11 C ATOM 0 H ILE A 368 0.000 -7.288 -5.602 1.00 0.09 H new ATOM 0 HA ILE A 368 1.455 -4.810 -6.057 1.00 0.09 H new ATOM 0 HB ILE A 368 1.248 -4.318 -3.552 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.211 -5.455 -2.983 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.379 -6.749 -3.822 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.915 -3.226 -3.736 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.066 -2.998 -5.203 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.274 -4.169 -5.202 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.015 -6.890 -1.412 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.516 -6.562 -2.258 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.670 -5.247 -1.407 1.00 0.11 H new ATOM 503 N VAL A 369 3.117 -5.691 -4.042 1.00 0.09 N ATOM 504 CA VAL A 369 4.247 -6.327 -3.385 1.00 0.09 C ATOM 505 C VAL A 369 4.639 -5.499 -2.169 1.00 0.09 C ATOM 506 O VAL A 369 4.904 -4.303 -2.271 1.00 0.11 O ATOM 507 CB VAL A 369 5.453 -6.570 -4.338 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.422 -5.660 -5.541 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.769 -6.394 -3.616 1.00 0.12 C ATOM 0 H VAL A 369 3.035 -4.693 -3.848 1.00 0.09 H new ATOM 0 HA VAL A 369 3.939 -7.322 -3.065 1.00 0.09 H new ATOM 0 HB VAL A 369 5.364 -7.600 -4.682 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.283 -5.867 -6.176 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.505 -5.833 -6.105 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.455 -4.621 -5.212 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.591 -6.571 -4.310 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.836 -5.379 -3.225 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.830 -7.105 -2.792 1.00 0.12 H new ATOM 519 N SER A 370 4.588 -6.131 -1.010 1.00 0.09 N ATOM 520 CA SER A 370 4.676 -5.424 0.242 1.00 0.10 C ATOM 521 C SER A 370 5.465 -6.183 1.301 1.00 0.10 C ATOM 522 O SER A 370 5.381 -7.403 1.393 1.00 0.10 O ATOM 523 CB SER A 370 3.271 -5.200 0.734 1.00 0.12 C ATOM 524 OG SER A 370 3.267 -4.868 2.095 1.00 0.70 O ATOM 0 H SER A 370 4.485 -7.141 -0.917 1.00 0.09 H new ATOM 0 HA SER A 370 5.207 -4.487 0.072 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.803 -4.401 0.159 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.677 -6.099 0.573 1.00 0.12 H new ATOM 0 HG SER A 370 3.933 -4.169 2.263 1.00 0.70 H new ATOM 530 N GLY A 371 6.187 -5.434 2.124 1.00 0.09 N ATOM 531 CA GLY A 371 6.666 -5.968 3.379 1.00 0.10 C ATOM 532 C GLY A 371 7.763 -7.024 3.307 1.00 0.11 C ATOM 533 O GLY A 371 7.623 -8.052 3.961 1.00 0.13 O ATOM 0 H GLY A 371 6.449 -4.465 1.942 1.00 0.09 H new ATOM 0 HA2 GLY A 371 7.034 -5.138 3.982 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.817 -6.397 3.911 1.00 0.10 H new ATOM 537 N LYS A 372 8.816 -6.812 2.508 1.00 0.11 N ATOM 538 CA LYS A 372 9.839 -7.811 2.288 1.00 0.14 C ATOM 539 C LYS A 372 10.278 -8.416 3.600 1.00 0.16 C ATOM 540 O LYS A 372 10.343 -7.727 4.603 1.00 0.19 O ATOM 541 CB LYS A 372 11.023 -7.167 1.596 1.00 0.17 C ATOM 542 CG LYS A 372 11.682 -6.069 2.379 1.00 0.22 C ATOM 543 CD LYS A 372 13.123 -6.375 2.497 1.00 0.30 C ATOM 544 CE LYS A 372 13.982 -5.304 1.875 1.00 0.47 C ATOM 545 NZ LYS A 372 15.414 -5.698 1.805 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.972 -5.940 2.002 1.00 0.11 H new ATOM 0 HA LYS A 372 9.433 -8.605 1.661 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.764 -7.937 1.380 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.693 -6.765 0.638 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.538 -5.110 1.881 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.231 -5.986 3.368 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.385 -6.484 3.549 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.331 -7.331 2.016 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.618 -5.087 0.871 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.888 -4.385 2.453 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.964 -4.930 1.370 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.771 -5.880 2.765 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.509 -6.560 1.231 1.00 0.48 H new ATOM 559 N PRO A 373 10.559 -9.708 3.575 1.00 0.18 N ATOM 560 CA PRO A 373 10.812 -10.555 4.745 1.00 0.20 C ATOM 561 C PRO A 373 11.528 -9.883 5.928 1.00 0.20 C ATOM 562 O PRO A 373 11.266 -10.214 7.087 1.00 0.22 O ATOM 563 CB PRO A 373 11.667 -11.622 4.116 1.00 0.23 C ATOM 564 CG PRO A 373 10.960 -11.863 2.846 1.00 0.22 C ATOM 565 CD PRO A 373 10.659 -10.490 2.342 1.00 0.19 C ATOM 0 HA PRO A 373 9.889 -10.883 5.223 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.691 -11.284 3.956 1.00 0.23 H new ATOM 0 HB3 PRO A 373 11.720 -12.520 4.732 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.579 -12.421 2.143 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.049 -12.442 2.998 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.448 -10.117 1.689 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.732 -10.463 1.769 1.00 0.19 H new ATOM 573 N THR A 374 12.407 -8.938 5.643 1.00 0.20 N ATOM 574 CA THR A 374 13.180 -8.268 6.667 1.00 0.23 C ATOM 575 C THR A 374 12.380 -7.135 7.306 1.00 0.20 C ATOM 576 O THR A 374 12.516 -6.851 8.497 1.00 0.23 O ATOM 577 CB THR A 374 14.469 -7.708 6.054 1.00 0.28 C ATOM 578 OG1 THR A 374 14.248 -6.408 5.498 1.00 0.28 O ATOM 579 CG2 THR A 374 14.944 -8.626 4.951 1.00 0.30 C ATOM 0 H THR A 374 12.603 -8.616 4.695 1.00 0.20 H new ATOM 0 HA THR A 374 13.425 -8.994 7.443 1.00 0.23 H new ATOM 0 HB THR A 374 15.217 -7.638 6.843 1.00 0.28 H new ATOM 0 HG1 THR A 374 15.084 -6.070 5.114 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.860 -8.228 4.515 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.138 -9.617 5.361 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.177 -8.696 4.180 1.00 0.30 H new ATOM 587 N THR A 375 11.531 -6.506 6.507 1.00 0.18 N ATOM 588 CA THR A 375 10.699 -5.415 6.978 1.00 0.18 C ATOM 589 C THR A 375 9.297 -5.536 6.392 1.00 0.14 C ATOM 590 O THR A 375 8.898 -4.803 5.484 1.00 0.13 O ATOM 591 CB THR A 375 11.291 -4.040 6.648 1.00 0.23 C ATOM 592 OG1 THR A 375 12.694 -4.018 6.950 1.00 0.30 O ATOM 593 CG2 THR A 375 10.578 -2.963 7.448 1.00 0.27 C ATOM 0 H THR A 375 11.402 -6.737 5.522 1.00 0.18 H new ATOM 0 HA THR A 375 10.652 -5.492 8.064 1.00 0.18 H new ATOM 0 HB THR A 375 11.155 -3.847 5.584 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.960 -3.109 7.200 1.00 0.30 H new ATOM 0 HG21 THR A 375 11.004 -1.989 7.208 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.517 -2.966 7.198 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.700 -3.160 8.513 1.00 0.27 H new ATOM 601 N PRO A 376 8.576 -6.515 6.910 1.00 0.13 N ATOM 602 CA PRO A 376 7.226 -6.883 6.498 1.00 0.11 C ATOM 603 C PRO A 376 6.158 -5.913 6.942 1.00 0.11 C ATOM 604 O PRO A 376 6.349 -5.085 7.835 1.00 0.15 O ATOM 605 CB PRO A 376 7.000 -8.215 7.198 1.00 0.14 C ATOM 606 CG PRO A 376 8.338 -8.648 7.602 1.00 0.16 C ATOM 607 CD PRO A 376 9.060 -7.403 7.937 1.00 0.15 C ATOM 0 HA PRO A 376 7.153 -6.903 5.411 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.342 -8.104 8.060 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.533 -8.940 6.531 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.293 -9.320 8.459 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.837 -9.189 6.798 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.820 -7.044 8.938 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.142 -7.530 7.895 1.00 0.15 H new ATOM 615 N THR A 377 5.024 -6.049 6.286 1.00 0.08 N ATOM 616 CA THR A 377 3.838 -5.303 6.595 1.00 0.08 C ATOM 617 C THR A 377 3.182 -5.823 7.871 1.00 0.08 C ATOM 618 O THR A 377 3.300 -6.993 8.224 1.00 0.11 O ATOM 619 CB THR A 377 2.850 -5.436 5.436 1.00 0.09 C ATOM 620 OG1 THR A 377 3.456 -6.227 4.406 1.00 0.12 O ATOM 621 CG2 THR A 377 2.457 -4.090 4.877 1.00 0.11 C ATOM 0 H THR A 377 4.906 -6.697 5.507 1.00 0.08 H new ATOM 0 HA THR A 377 4.113 -4.259 6.746 1.00 0.08 H new ATOM 0 HB THR A 377 1.943 -5.914 5.807 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.384 -5.758 3.548 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.754 -4.228 4.055 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.988 -3.494 5.660 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.345 -3.574 4.512 1.00 0.11 H new ATOM 629 N PRO A 378 2.445 -4.934 8.528 1.00 0.07 N ATOM 630 CA PRO A 378 1.860 -5.144 9.848 1.00 0.07 C ATOM 631 C PRO A 378 0.577 -5.965 9.824 1.00 0.07 C ATOM 632 O PRO A 378 0.450 -6.941 10.560 1.00 0.09 O ATOM 633 CB PRO A 378 1.540 -3.725 10.318 1.00 0.08 C ATOM 634 CG PRO A 378 1.883 -2.806 9.196 1.00 0.09 C ATOM 635 CD PRO A 378 2.107 -3.634 7.996 1.00 0.08 C ATOM 0 HA PRO A 378 2.541 -5.702 10.490 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.486 -3.635 10.582 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.115 -3.476 11.210 1.00 0.08 H new ATOM 0 HG2 PRO A 378 1.077 -2.093 9.025 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.775 -2.227 9.434 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.216 -3.678 7.369 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.911 -3.234 7.379 1.00 0.08 H new ATOM 643 N ALA A 379 -0.367 -5.550 8.975 1.00 0.06 N ATOM 644 CA ALA A 379 -1.676 -6.179 8.868 1.00 0.07 C ATOM 645 C ALA A 379 -2.561 -5.949 10.086 1.00 0.07 C ATOM 646 O ALA A 379 -2.206 -6.274 11.220 1.00 0.09 O ATOM 647 CB ALA A 379 -1.527 -7.636 8.529 1.00 0.08 C ATOM 0 H ALA A 379 -0.238 -4.762 8.340 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.203 -5.690 8.049 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.513 -8.094 8.452 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.005 -7.737 7.578 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.955 -8.135 9.311 1.00 0.08 H new ATOM 653 N GLY A 380 -3.725 -5.369 9.813 1.00 0.08 N ATOM 654 CA GLY A 380 -4.668 -5.028 10.849 1.00 0.10 C ATOM 655 C GLY A 380 -5.741 -4.107 10.333 1.00 0.10 C ATOM 656 O GLY A 380 -6.403 -4.411 9.342 1.00 0.11 O ATOM 0 H GLY A 380 -4.031 -5.127 8.871 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.124 -5.937 11.241 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.144 -4.551 11.677 1.00 0.10 H new ATOM 660 N VAL A 381 -5.891 -2.975 10.988 1.00 0.11 N ATOM 661 CA VAL A 381 -6.854 -1.981 10.594 1.00 0.12 C ATOM 662 C VAL A 381 -6.161 -0.630 10.470 1.00 0.12 C ATOM 663 O VAL A 381 -5.743 -0.006 11.449 1.00 0.21 O ATOM 664 CB VAL A 381 -8.036 -1.931 11.575 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.625 -1.459 12.964 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.170 -1.084 11.014 1.00 0.87 C ATOM 0 H VAL A 381 -5.344 -2.722 11.811 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.269 -2.248 9.622 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.397 -2.953 11.692 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.498 -1.443 13.616 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.879 -2.140 13.374 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.203 -0.456 12.897 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.995 -1.063 11.726 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.814 -0.068 10.841 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.513 -1.513 10.073 1.00 0.87 H new ATOM 676 N PHE A 382 -5.999 -0.210 9.247 1.00 0.10 N ATOM 677 CA PHE A 382 -5.187 0.930 8.932 1.00 0.10 C ATOM 678 C PHE A 382 -6.067 2.080 8.483 1.00 0.09 C ATOM 679 O PHE A 382 -7.211 1.859 8.103 1.00 0.11 O ATOM 680 CB PHE A 382 -4.270 0.506 7.805 1.00 0.16 C ATOM 681 CG PHE A 382 -3.356 -0.618 8.165 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.196 -0.397 8.885 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.666 -1.908 7.772 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.363 -1.446 9.202 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.843 -2.953 8.089 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.692 -2.726 8.802 1.00 0.10 C ATOM 0 H PHE A 382 -6.430 -0.653 8.435 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.616 1.264 9.799 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.875 0.210 6.948 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.673 1.363 7.493 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.942 0.604 9.200 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.569 -2.092 7.208 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.456 -1.269 9.761 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.098 -3.956 7.779 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.042 -3.551 9.051 1.00 0.10 H new ATOM 696 N TYR A 383 -5.554 3.298 8.538 1.00 0.08 N ATOM 697 CA TYR A 383 -6.311 4.464 8.082 1.00 0.09 C ATOM 698 C TYR A 383 -5.390 5.505 7.523 1.00 0.09 C ATOM 699 O TYR A 383 -4.374 5.816 8.146 1.00 0.11 O ATOM 700 CB TYR A 383 -7.123 5.127 9.194 1.00 0.12 C ATOM 701 CG TYR A 383 -8.114 4.228 9.912 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.326 3.885 9.319 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.841 3.720 11.174 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.233 3.063 9.966 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.743 2.901 11.826 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.928 2.581 11.238 1.00 0.54 C ATOM 707 OH TYR A 383 -10.833 1.753 11.873 1.00 0.69 O ATOM 0 H TYR A 383 -4.621 3.510 8.891 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.996 4.086 7.323 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.431 5.535 9.931 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.668 5.970 8.768 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.563 4.267 8.337 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.907 3.969 11.655 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.166 2.798 9.491 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.507 2.513 12.806 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.482 1.497 12.751 1.00 0.69 H new ATOM 717 N VAL A 384 -5.745 6.087 6.391 1.00 0.09 N ATOM 718 CA VAL A 384 -4.911 7.120 5.838 1.00 0.10 C ATOM 719 C VAL A 384 -5.058 8.412 6.632 1.00 0.11 C ATOM 720 O VAL A 384 -6.161 8.935 6.813 1.00 0.13 O ATOM 721 CB VAL A 384 -5.162 7.353 4.328 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.604 7.108 3.966 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.761 8.755 3.929 1.00 0.14 C ATOM 0 H VAL A 384 -6.583 5.865 5.854 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.880 6.776 5.924 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.546 6.639 3.781 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.746 7.280 2.899 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.869 6.078 4.206 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.242 7.788 4.531 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -4.946 8.897 2.864 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.347 9.477 4.498 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.701 8.903 4.136 1.00 0.14 H new ATOM 733 N TRP A 385 -3.937 8.913 7.126 1.00 0.12 N ATOM 734 CA TRP A 385 -3.948 10.088 7.976 1.00 0.14 C ATOM 735 C TRP A 385 -3.372 11.301 7.284 1.00 0.16 C ATOM 736 O TRP A 385 -3.265 12.379 7.868 1.00 0.19 O ATOM 737 CB TRP A 385 -3.182 9.843 9.253 1.00 0.16 C ATOM 738 CG TRP A 385 -1.845 9.232 9.021 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.579 7.915 8.865 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.597 9.914 8.917 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.228 7.728 8.680 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.395 8.944 8.712 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.227 11.250 8.980 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.740 9.273 8.574 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.098 11.579 8.845 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.074 10.595 8.644 1.00 0.17 C ATOM 0 H TRP A 385 -3.010 8.524 6.952 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.995 10.286 8.207 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -3.057 10.788 9.782 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.766 9.190 9.901 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.317 7.127 8.883 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.233 6.829 8.542 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.970 12.018 9.133 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.490 8.512 8.418 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.394 12.616 8.895 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.109 10.887 8.543 1.00 0.17 H new ATOM 757 N ASN A 386 -3.017 11.118 6.041 1.00 0.16 N ATOM 758 CA ASN A 386 -2.470 12.189 5.233 1.00 0.21 C ATOM 759 C ASN A 386 -2.596 11.796 3.782 1.00 0.20 C ATOM 760 O ASN A 386 -2.551 10.623 3.449 1.00 0.18 O ATOM 761 CB ASN A 386 -1.000 12.431 5.574 1.00 0.24 C ATOM 762 CG ASN A 386 -0.437 13.668 4.925 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.460 14.758 5.497 1.00 0.41 O ATOM 764 ND2 ASN A 386 0.064 13.515 3.726 1.00 0.31 N ATOM 0 H ASN A 386 -3.096 10.225 5.554 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.018 13.110 5.431 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -0.894 12.515 6.656 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.414 11.566 5.262 1.00 0.24 H new ATOM 0 HD21 ASN A 386 0.455 14.316 3.230 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.064 12.594 3.287 1.00 0.31 H new ATOM 771 N LYS A 387 -2.780 12.763 2.928 1.00 0.22 N ATOM 772 CA LYS A 387 -2.892 12.493 1.526 1.00 0.22 C ATOM 773 C LYS A 387 -1.738 13.184 0.823 1.00 0.19 C ATOM 774 O LYS A 387 -1.567 14.401 0.895 1.00 0.24 O ATOM 775 CB LYS A 387 -4.265 12.921 1.004 1.00 0.32 C ATOM 776 CG LYS A 387 -4.357 14.346 0.565 1.00 1.09 C ATOM 777 CD LYS A 387 -5.725 14.881 0.865 1.00 0.96 C ATOM 778 CE LYS A 387 -6.784 14.052 0.214 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.760 14.872 -0.558 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.856 13.748 3.181 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.824 11.424 1.324 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.534 12.280 0.165 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -5.004 12.749 1.786 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -3.602 14.943 1.077 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.153 14.421 -0.503 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -5.884 14.897 1.943 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -5.800 15.911 0.516 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -6.315 13.329 -0.453 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -7.316 13.484 0.977 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -8.586 14.289 -0.802 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -8.066 15.682 0.019 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -7.310 15.218 -1.430 1.00 0.67 H new ATOM 793 N GLU A 388 -0.908 12.382 0.225 1.00 0.18 N ATOM 794 CA GLU A 388 0.304 12.842 -0.370 1.00 0.18 C ATOM 795 C GLU A 388 0.347 12.509 -1.827 1.00 0.23 C ATOM 796 O GLU A 388 0.059 11.408 -2.253 1.00 0.38 O ATOM 797 CB GLU A 388 1.468 12.251 0.389 1.00 0.16 C ATOM 798 CG GLU A 388 2.165 13.300 1.207 1.00 0.16 C ATOM 799 CD GLU A 388 3.240 12.752 2.118 1.00 0.20 C ATOM 800 OE1 GLU A 388 2.899 12.129 3.145 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.432 12.917 1.798 1.00 0.32 O ATOM 0 H GLU A 388 -1.059 11.377 0.137 1.00 0.18 H new ATOM 0 HA GLU A 388 0.362 13.929 -0.307 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.114 11.452 1.041 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.173 11.802 -0.311 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.611 14.034 0.535 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.426 13.827 1.810 1.00 0.16 H new ATOM 808 N GLU A 389 0.646 13.513 -2.582 1.00 0.17 N ATOM 809 CA GLU A 389 0.699 13.423 -3.998 1.00 0.19 C ATOM 810 C GLU A 389 2.004 13.958 -4.493 1.00 0.21 C ATOM 811 O GLU A 389 2.463 15.004 -4.032 1.00 0.26 O ATOM 812 CB GLU A 389 -0.430 14.234 -4.551 1.00 0.21 C ATOM 813 CG GLU A 389 -1.781 13.708 -4.175 1.00 0.30 C ATOM 814 CD GLU A 389 -2.912 14.437 -4.873 1.00 1.06 C ATOM 815 OE1 GLU A 389 -3.193 14.119 -6.048 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.529 15.328 -4.256 1.00 1.18 O ATOM 0 H GLU A 389 0.865 14.441 -2.220 1.00 0.17 H new ATOM 0 HA GLU A 389 0.612 12.385 -4.318 1.00 0.19 H new ATOM 0 HB2 GLU A 389 -0.337 15.261 -4.198 1.00 0.21 H new ATOM 0 HB3 GLU A 389 -0.349 14.262 -5.638 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.833 12.647 -4.420 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.911 13.793 -3.096 1.00 0.30 H new ATOM 823 N ASP A 390 2.584 13.245 -5.416 1.00 0.20 N ATOM 824 CA ASP A 390 3.932 13.546 -5.885 1.00 0.19 C ATOM 825 C ASP A 390 4.822 13.648 -4.659 1.00 0.21 C ATOM 826 O ASP A 390 5.656 14.544 -4.492 1.00 0.40 O ATOM 827 CB ASP A 390 3.949 14.834 -6.687 1.00 0.24 C ATOM 828 CG ASP A 390 5.321 15.158 -7.257 1.00 0.26 C ATOM 829 OD1 ASP A 390 5.820 14.382 -8.104 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 5.917 16.181 -6.856 1.00 0.36 O ATOM 0 H ASP A 390 2.150 12.441 -5.870 1.00 0.20 H new ATOM 0 HA ASP A 390 4.294 12.761 -6.549 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.231 14.757 -7.503 1.00 0.24 H new ATOM 0 HB3 ASP A 390 3.622 15.657 -6.051 1.00 0.24 H new ATOM 835 N ALA A 391 4.535 12.735 -3.763 1.00 0.15 N ATOM 836 CA ALA A 391 5.142 12.687 -2.471 1.00 0.16 C ATOM 837 C ALA A 391 6.348 11.801 -2.462 1.00 0.15 C ATOM 838 O ALA A 391 6.594 11.020 -3.378 1.00 0.16 O ATOM 839 CB ALA A 391 4.124 12.205 -1.461 1.00 0.16 C ATOM 0 H ALA A 391 3.856 11.991 -3.924 1.00 0.15 H new ATOM 0 HA ALA A 391 5.476 13.690 -2.207 1.00 0.16 H new ATOM 0 HB1 ALA A 391 4.582 12.166 -0.473 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.277 12.891 -1.442 1.00 0.16 H new ATOM 0 HB3 ALA A 391 3.778 11.210 -1.740 1.00 0.16 H new ATOM 845 N THR A 392 7.067 11.913 -1.391 1.00 0.16 N ATOM 846 CA THR A 392 8.302 11.220 -1.237 1.00 0.17 C ATOM 847 C THR A 392 8.299 10.448 0.049 1.00 0.16 C ATOM 848 O THR A 392 8.479 10.980 1.145 1.00 0.18 O ATOM 849 CB THR A 392 9.502 12.159 -1.261 1.00 0.20 C ATOM 850 OG1 THR A 392 9.641 12.763 -2.557 1.00 0.27 O ATOM 851 CG2 THR A 392 10.765 11.384 -0.890 1.00 0.22 C ATOM 0 H THR A 392 6.810 12.494 -0.593 1.00 0.16 H new ATOM 0 HA THR A 392 8.396 10.541 -2.084 1.00 0.17 H new ATOM 0 HB THR A 392 9.348 12.955 -0.532 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.415 13.365 -2.556 1.00 0.27 H new ATOM 0 HG21 THR A 392 11.623 12.056 -0.907 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.654 10.964 0.110 1.00 0.22 H new ATOM 0 HG23 THR A 392 10.921 10.578 -1.607 1.00 0.22 H new ATOM 859 N LEU A 393 8.060 9.194 -0.123 1.00 0.15 N ATOM 860 CA LEU A 393 8.094 8.231 0.921 1.00 0.16 C ATOM 861 C LEU A 393 9.492 7.959 1.318 1.00 0.17 C ATOM 862 O LEU A 393 10.416 8.213 0.566 1.00 0.18 O ATOM 863 CB LEU A 393 7.471 6.986 0.400 1.00 0.16 C ATOM 864 CG LEU A 393 5.968 7.014 0.344 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.484 8.092 -0.605 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.463 5.681 -0.107 1.00 0.24 C ATOM 0 H LEU A 393 7.826 8.796 -1.033 1.00 0.15 H new ATOM 0 HA LEU A 393 7.556 8.599 1.795 1.00 0.16 H new ATOM 0 HB2 LEU A 393 7.855 6.795 -0.602 1.00 0.16 H new ATOM 0 HB3 LEU A 393 7.783 6.150 1.026 1.00 0.16 H new ATOM 0 HG LEU A 393 5.585 7.236 1.340 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.394 8.093 -0.629 1.00 0.16 H new ATOM 0 HD12 LEU A 393 5.841 9.064 -0.264 1.00 0.16 H new ATOM 0 HD13 LEU A 393 5.869 7.895 -1.606 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.374 5.699 -0.148 1.00 0.24 H new ATOM 0 HD22 LEU A 393 5.860 5.458 -1.097 1.00 0.24 H new ATOM 0 HD23 LEU A 393 5.787 4.913 0.595 1.00 0.24 H new ATOM 878 N LYS A 394 9.630 7.482 2.514 1.00 0.20 N ATOM 879 CA LYS A 394 10.876 7.232 3.086 1.00 0.24 C ATOM 880 C LYS A 394 10.722 6.130 4.077 1.00 0.30 C ATOM 881 O LYS A 394 9.602 5.775 4.448 1.00 0.38 O ATOM 882 CB LYS A 394 11.346 8.469 3.754 1.00 0.29 C ATOM 883 CG LYS A 394 12.148 9.248 2.809 1.00 0.29 C ATOM 884 CD LYS A 394 11.698 10.653 2.712 1.00 0.61 C ATOM 885 CE LYS A 394 12.158 11.426 3.913 1.00 0.52 C ATOM 886 NZ LYS A 394 11.953 12.891 3.757 1.00 0.67 N1+ ATOM 0 H LYS A 394 8.843 7.255 3.122 1.00 0.20 H new ATOM 0 HA LYS A 394 11.605 6.938 2.331 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.495 9.057 4.099 1.00 0.29 H new ATOM 0 HB3 LYS A 394 11.939 8.219 4.634 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.193 9.225 3.118 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.096 8.784 1.824 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.094 11.108 1.804 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.611 10.691 2.640 1.00 0.61 H new ATOM 0 HE2 LYS A 394 11.619 11.078 4.794 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.215 11.226 4.087 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.286 13.381 4.612 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.488 13.231 2.933 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 10.941 13.087 3.618 1.00 0.67 H new ATOM 1015 N GLU A 404 13.830 6.245 0.143 1.00 0.28 N ATOM 1016 CA GLU A 404 12.698 6.997 -0.381 1.00 0.24 C ATOM 1017 C GLU A 404 11.892 6.210 -1.390 1.00 0.24 C ATOM 1018 O GLU A 404 12.330 5.199 -1.943 1.00 0.31 O ATOM 1019 CB GLU A 404 13.123 8.279 -1.057 1.00 0.27 C ATOM 1020 CG GLU A 404 13.453 9.427 -0.147 1.00 0.29 C ATOM 1021 CD GLU A 404 14.391 10.421 -0.803 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.096 10.873 -1.928 1.00 0.45 O ATOM 1023 OE2 GLU A 404 15.412 10.777 -0.182 1.00 0.62 O1- ATOM 0 HA GLU A 404 12.088 7.215 0.495 1.00 0.24 H new ATOM 0 HB2 GLU A 404 13.996 8.068 -1.674 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.325 8.593 -1.730 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.533 9.934 0.144 1.00 0.29 H new ATOM 0 HG3 GLU A 404 13.910 9.046 0.766 1.00 0.29 H new ATOM 1030 N SER A 405 10.697 6.709 -1.591 1.00 0.20 N ATOM 1031 CA SER A 405 9.785 6.228 -2.570 1.00 0.20 C ATOM 1032 C SER A 405 9.132 7.430 -3.259 1.00 0.18 C ATOM 1033 O SER A 405 8.227 8.064 -2.708 1.00 0.23 O ATOM 1034 CB SER A 405 8.755 5.374 -1.847 1.00 0.26 C ATOM 1035 OG SER A 405 7.434 5.702 -2.224 1.00 1.33 O ATOM 0 H SER A 405 10.330 7.492 -1.050 1.00 0.20 H new ATOM 0 HA SER A 405 10.279 5.627 -3.334 1.00 0.20 H new ATOM 0 HB2 SER A 405 8.942 4.322 -2.062 1.00 0.26 H new ATOM 0 HB3 SER A 405 8.867 5.505 -0.771 1.00 0.26 H new ATOM 0 HG SER A 405 7.382 5.779 -3.200 1.00 1.33 H new ATOM 1041 N PRO A 406 9.629 7.799 -4.442 1.00 0.18 N ATOM 1042 CA PRO A 406 9.027 8.837 -5.258 1.00 0.19 C ATOM 1043 C PRO A 406 7.685 8.389 -5.782 1.00 0.17 C ATOM 1044 O PRO A 406 7.586 7.623 -6.741 1.00 0.17 O ATOM 1045 CB PRO A 406 10.021 8.994 -6.397 1.00 0.20 C ATOM 1046 CG PRO A 406 10.649 7.668 -6.488 1.00 0.19 C ATOM 1047 CD PRO A 406 10.810 7.241 -5.073 1.00 0.18 C ATOM 0 HA PRO A 406 8.844 9.763 -4.713 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.525 9.268 -7.328 1.00 0.20 H new ATOM 0 HB3 PRO A 406 10.754 9.772 -6.186 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.025 6.970 -7.046 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.610 7.717 -7.001 1.00 0.19 H new ATOM 0 HD2 PRO A 406 10.847 6.156 -4.978 1.00 0.18 H new ATOM 0 HD3 PRO A 406 11.728 7.631 -4.633 1.00 0.18 H new ATOM 1055 N VAL A 407 6.671 8.907 -5.173 1.00 0.17 N ATOM 1056 CA VAL A 407 5.340 8.510 -5.418 1.00 0.17 C ATOM 1057 C VAL A 407 4.520 9.682 -5.951 1.00 0.19 C ATOM 1058 O VAL A 407 4.867 10.840 -5.766 1.00 0.30 O ATOM 1059 CB VAL A 407 4.840 7.977 -4.069 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.559 8.643 -3.628 1.00 0.15 C ATOM 1061 CG2 VAL A 407 4.780 6.457 -4.079 1.00 0.23 C ATOM 0 H VAL A 407 6.757 9.641 -4.470 1.00 0.17 H new ATOM 0 HA VAL A 407 5.252 7.743 -6.187 1.00 0.17 H new ATOM 0 HB VAL A 407 5.566 8.249 -3.302 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.247 8.231 -2.668 1.00 0.15 H new ATOM 0 HG12 VAL A 407 3.723 9.716 -3.527 1.00 0.15 H new ATOM 0 HG13 VAL A 407 2.781 8.463 -4.370 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.423 6.101 -3.113 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.099 6.125 -4.863 1.00 0.23 H new ATOM 0 HG23 VAL A 407 5.775 6.055 -4.269 1.00 0.23 H new ATOM 1071 N ASN A 408 3.482 9.356 -6.686 1.00 0.19 N ATOM 1072 CA ASN A 408 2.526 10.331 -7.186 1.00 0.21 C ATOM 1073 C ASN A 408 1.362 10.387 -6.255 1.00 0.19 C ATOM 1074 O ASN A 408 0.746 11.424 -6.057 1.00 0.26 O ATOM 1075 CB ASN A 408 2.023 9.947 -8.564 1.00 0.34 C ATOM 1076 CG ASN A 408 2.121 8.500 -8.807 1.00 1.01 C ATOM 1077 OD1 ASN A 408 1.158 7.750 -8.673 1.00 1.84 O ATOM 1078 ND2 ASN A 408 3.304 8.101 -9.165 1.00 1.01 N ATOM 0 H ASN A 408 3.271 8.396 -6.960 1.00 0.19 H new ATOM 0 HA ASN A 408 3.023 11.299 -7.251 1.00 0.21 H new ATOM 0 HB2 ASN A 408 0.985 10.262 -8.671 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.598 10.481 -9.321 1.00 0.34 H new ATOM 0 HD21 ASN A 408 3.474 7.113 -9.353 1.00 1.01 H new ATOM 0 HD22 ASN A 408 4.063 8.776 -9.258 1.00 1.01 H new ATOM 1085 N TYR A 409 1.057 9.238 -5.709 1.00 0.15 N ATOM 1086 CA TYR A 409 -0.087 9.101 -4.823 1.00 0.15 C ATOM 1087 C TYR A 409 0.254 8.262 -3.617 1.00 0.14 C ATOM 1088 O TYR A 409 0.558 7.075 -3.724 1.00 0.15 O ATOM 1089 CB TYR A 409 -1.285 8.529 -5.558 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.658 9.368 -6.748 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -2.133 10.655 -6.570 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.476 8.905 -8.038 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.430 11.457 -7.644 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.761 9.701 -9.122 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.241 10.979 -8.923 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.520 11.782 -10.004 1.00 0.41 O ATOM 0 H TYR A 409 1.582 8.377 -5.859 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.353 10.098 -4.473 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -1.061 7.513 -5.884 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -2.134 8.465 -4.877 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -2.273 11.035 -5.569 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -1.105 7.903 -8.196 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.809 12.456 -7.488 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.610 9.328 -10.124 1.00 0.34 H new ATOM 0 HH TYR A 409 -2.331 11.293 -10.832 1.00 0.41 H new ATOM 1106 N TRP A 410 0.191 8.912 -2.480 1.00 0.13 N ATOM 1107 CA TRP A 410 0.564 8.326 -1.208 1.00 0.11 C ATOM 1108 C TRP A 410 -0.567 8.403 -0.226 1.00 0.10 C ATOM 1109 O TRP A 410 -1.213 9.440 -0.064 1.00 0.12 O ATOM 1110 CB TRP A 410 1.764 9.072 -0.639 1.00 0.12 C ATOM 1111 CG TRP A 410 2.223 8.615 0.710 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.576 9.423 1.733 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.397 7.274 1.180 1.00 0.11 C ATOM 1114 NE1 TRP A 410 2.946 8.687 2.817 1.00 0.13 N ATOM 1115 CE2 TRP A 410 2.856 7.354 2.507 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.207 6.021 0.615 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.133 6.217 3.272 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.486 4.899 1.362 1.00 0.11 C ATOM 1119 CH2 TRP A 410 2.946 5.002 2.679 1.00 0.11 C ATOM 0 H TRP A 410 -0.126 9.879 -2.408 1.00 0.13 H new ATOM 0 HA TRP A 410 0.812 7.278 -1.375 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.595 8.977 -1.338 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.517 10.132 -0.580 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.566 10.502 1.696 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.243 9.066 3.716 1.00 0.13 H new ATOM 0 HE3 TRP A 410 1.845 5.927 -0.398 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.481 6.297 4.291 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.347 3.922 0.923 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.157 4.102 3.238 1.00 0.11 H new ATOM 1130 N MET A 411 -0.786 7.304 0.437 1.00 0.09 N ATOM 1131 CA MET A 411 -1.755 7.253 1.488 1.00 0.10 C ATOM 1132 C MET A 411 -1.202 6.547 2.719 1.00 0.09 C ATOM 1133 O MET A 411 -1.360 5.337 2.876 1.00 0.10 O ATOM 1134 CB MET A 411 -2.987 6.567 0.974 1.00 0.12 C ATOM 1135 CG MET A 411 -4.013 7.543 0.460 1.00 0.14 C ATOM 1136 SD MET A 411 -4.765 6.977 -1.065 1.00 0.41 S ATOM 1137 CE MET A 411 -5.145 5.306 -0.612 1.00 0.13 C ATOM 0 H MET A 411 -0.300 6.424 0.264 1.00 0.09 H new ATOM 0 HA MET A 411 -2.007 8.268 1.796 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.710 5.879 0.175 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.426 5.968 1.772 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.786 7.688 1.214 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.542 8.512 0.295 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.490 4.761 -1.490 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.252 4.825 -0.214 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.927 5.304 0.147 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.532 7.299 3.602 1.00 0.09 N ATOM 1148 CA PRO A 412 0.051 6.760 4.837 1.00 0.09 C ATOM 1149 C PRO A 412 -1.009 6.454 5.861 1.00 0.09 C ATOM 1150 O PRO A 412 -1.983 7.189 6.021 1.00 0.09 O ATOM 1151 CB PRO A 412 0.912 7.915 5.331 1.00 0.10 C ATOM 1152 CG PRO A 412 0.177 9.114 4.867 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.294 8.750 3.487 1.00 0.11 C ATOM 0 HA PRO A 412 0.592 5.828 4.672 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.017 7.903 6.416 1.00 0.10 H new ATOM 0 HB3 PRO A 412 1.918 7.874 4.913 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.661 9.346 5.525 1.00 0.16 H new ATOM 0 HG3 PRO A 412 0.821 9.993 4.848 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -1.201 9.289 3.213 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.455 8.979 2.729 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.809 5.343 6.531 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.802 4.794 7.420 1.00 0.10 C ATOM 1163 C ILE A 413 -1.253 4.614 8.818 1.00 0.14 C ATOM 1164 O ILE A 413 -2.005 4.426 9.771 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.280 3.457 6.879 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.128 2.442 6.860 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.824 3.702 5.495 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.405 1.206 6.033 1.00 0.11 C ATOM 0 H ILE A 413 0.049 4.795 6.474 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.636 5.493 7.475 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.059 3.035 7.515 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.234 2.931 6.474 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -0.909 2.139 7.884 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.178 2.762 5.072 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.651 4.410 5.549 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -2.037 4.111 4.862 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.542 0.541 6.072 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.279 0.690 6.431 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.594 1.495 4.999 1.00 0.11 H new ATOM 1180 N ASP A 414 0.065 4.620 8.924 1.00 0.15 N ATOM 1181 CA ASP A 414 0.721 4.622 10.222 1.00 0.22 C ATOM 1182 C ASP A 414 1.871 5.611 10.224 1.00 0.21 C ATOM 1183 O ASP A 414 2.214 6.178 9.186 1.00 0.22 O ATOM 1184 CB ASP A 414 1.209 3.225 10.613 1.00 0.31 C ATOM 1185 CG ASP A 414 2.253 2.654 9.676 1.00 0.88 C ATOM 1186 OD1 ASP A 414 3.242 3.362 9.413 1.00 1.23 O1- ATOM 1187 OD2 ASP A 414 2.068 1.520 9.167 1.00 1.59 O ATOM 0 H ASP A 414 0.702 4.624 8.128 1.00 0.15 H new ATOM 0 HA ASP A 414 -0.013 4.929 10.967 1.00 0.22 H new ATOM 0 HB2 ASP A 414 1.622 3.264 11.621 1.00 0.31 H new ATOM 0 HB3 ASP A 414 0.355 2.548 10.645 1.00 0.31 H new ATOM 1192 N TRP A 415 2.467 5.799 11.389 1.00 0.24 N ATOM 1193 CA TRP A 415 3.527 6.772 11.568 1.00 0.25 C ATOM 1194 C TRP A 415 4.902 6.120 11.554 1.00 0.27 C ATOM 1195 O TRP A 415 5.883 6.732 11.980 1.00 0.31 O ATOM 1196 CB TRP A 415 3.318 7.588 12.844 1.00 0.28 C ATOM 1197 CG TRP A 415 2.240 8.616 12.698 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.414 9.956 12.519 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.824 8.391 12.694 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.197 10.579 12.413 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.207 9.639 12.516 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.014 7.257 12.826 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.174 9.786 12.464 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.358 7.412 12.770 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.938 8.666 12.591 1.00 0.27 C ATOM 0 H TRP A 415 2.229 5.282 12.235 1.00 0.24 H new ATOM 0 HA TRP A 415 3.484 7.456 10.720 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.065 6.916 13.664 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.252 8.082 13.113 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.371 10.454 12.468 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.053 11.580 12.279 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.453 6.280 12.969 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.627 10.757 12.327 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -1.993 6.544 12.867 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -3.014 8.751 12.552 1.00 0.27 H new ATOM 1216 N THR A 416 4.991 4.889 11.077 1.00 0.27 N ATOM 1217 CA THR A 416 6.289 4.260 10.925 1.00 0.32 C ATOM 1218 C THR A 416 6.720 4.420 9.491 1.00 0.30 C ATOM 1219 O THR A 416 7.910 4.512 9.171 1.00 0.35 O ATOM 1220 CB THR A 416 6.283 2.765 11.294 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.170 2.091 10.694 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.238 2.579 12.800 1.00 0.44 C ATOM 0 H THR A 416 4.196 4.316 10.794 1.00 0.27 H new ATOM 0 HA THR A 416 6.981 4.747 11.612 1.00 0.32 H new ATOM 0 HB THR A 416 7.206 2.330 10.910 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.768 2.667 10.010 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.235 1.515 13.035 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.113 3.047 13.251 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.334 3.041 13.197 1.00 0.44 H new ATOM 1230 N GLY A 417 5.718 4.512 8.640 1.00 0.24 N ATOM 1231 CA GLY A 417 5.955 4.802 7.262 1.00 0.24 C ATOM 1232 C GLY A 417 5.288 3.835 6.327 1.00 0.19 C ATOM 1233 O GLY A 417 5.758 3.622 5.210 1.00 0.20 O ATOM 0 H GLY A 417 4.737 4.388 8.889 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.601 5.810 7.044 1.00 0.24 H new ATOM 0 HA3 GLY A 417 7.029 4.794 7.076 1.00 0.24 H new ATOM 1237 N VAL A 418 4.196 3.237 6.769 1.00 0.15 N ATOM 1238 CA VAL A 418 3.447 2.357 5.905 1.00 0.11 C ATOM 1239 C VAL A 418 2.188 3.026 5.392 1.00 0.09 C ATOM 1240 O VAL A 418 1.617 3.917 6.034 1.00 0.09 O ATOM 1241 CB VAL A 418 3.098 1.017 6.588 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.191 0.156 5.723 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.366 0.264 6.884 1.00 0.17 C ATOM 0 H VAL A 418 3.816 3.345 7.709 1.00 0.15 H new ATOM 0 HA VAL A 418 4.096 2.136 5.058 1.00 0.11 H new ATOM 0 HB VAL A 418 2.563 1.242 7.510 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.971 -0.777 6.242 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.261 0.690 5.527 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.690 -0.063 4.779 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.123 -0.683 7.366 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.900 0.071 5.954 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.995 0.858 7.547 1.00 0.17 H new ATOM 1253 N GLY A 419 1.776 2.591 4.222 1.00 0.10 N ATOM 1254 CA GLY A 419 0.571 3.092 3.612 1.00 0.08 C ATOM 1255 C GLY A 419 0.376 2.497 2.246 1.00 0.08 C ATOM 1256 O GLY A 419 1.050 1.527 1.890 1.00 0.09 O ATOM 0 H GLY A 419 2.265 1.885 3.672 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.286 2.855 4.242 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.621 4.178 3.537 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.519 3.073 1.472 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.715 2.637 0.123 1.00 0.09 C ATOM 1262 C ILE A 420 -0.040 3.624 -0.809 1.00 0.07 C ATOM 1263 O ILE A 420 -0.134 4.837 -0.609 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.215 2.525 -0.208 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.601 1.080 -0.473 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.562 3.351 -1.410 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.745 0.224 0.762 1.00 0.11 C ATOM 0 H ILE A 420 -1.119 3.845 1.763 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.276 1.647 -0.004 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.768 2.896 0.655 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.544 1.065 -1.019 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.849 0.632 -1.123 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.627 3.255 -1.623 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.324 4.397 -1.214 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.988 3.003 -2.269 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.022 -0.789 0.472 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.798 0.201 1.301 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.519 0.642 1.406 1.00 0.11 H new ATOM 1279 N HIS A 421 0.649 3.119 -1.806 1.00 0.07 N ATOM 1280 CA HIS A 421 1.304 3.988 -2.762 1.00 0.07 C ATOM 1281 C HIS A 421 1.409 3.326 -4.104 1.00 0.09 C ATOM 1282 O HIS A 421 1.213 2.127 -4.256 1.00 0.11 O ATOM 1283 CB HIS A 421 2.715 4.365 -2.335 1.00 0.09 C ATOM 1284 CG HIS A 421 3.666 3.225 -2.248 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.262 2.663 -3.346 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.176 2.598 -1.172 1.00 0.13 C ATOM 1287 CE1 HIS A 421 5.130 1.740 -2.912 1.00 0.15 C ATOM 1288 NE2 HIS A 421 5.111 1.657 -1.597 1.00 0.15 N ATOM 0 H HIS A 421 0.771 2.121 -1.977 1.00 0.07 H new ATOM 0 HA HIS A 421 0.688 4.885 -2.814 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.110 5.096 -3.040 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.667 4.854 -1.362 1.00 0.09 H new ATOM 0 HD1 HIS A 421 4.078 2.904 -4.320 1.00 0.12 H new ATOM 0 HD2 HIS A 421 3.904 2.793 -0.145 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.761 1.143 -3.554 1.00 0.15 H new ATOM 1296 N ASP A 422 1.764 4.146 -5.061 1.00 0.11 N ATOM 1297 CA ASP A 422 2.033 3.734 -6.391 1.00 0.14 C ATOM 1298 C ASP A 422 3.496 3.375 -6.491 1.00 0.19 C ATOM 1299 O ASP A 422 4.325 3.912 -5.764 1.00 0.29 O ATOM 1300 CB ASP A 422 1.737 4.898 -7.306 1.00 0.20 C ATOM 1301 CG ASP A 422 2.982 5.668 -7.678 1.00 0.31 C ATOM 1302 OD1 ASP A 422 3.393 6.550 -6.894 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.552 5.402 -8.756 1.00 0.42 O ATOM 0 H ASP A 422 1.874 5.150 -4.918 1.00 0.11 H new ATOM 0 HA ASP A 422 1.424 2.874 -6.668 1.00 0.14 H new ATOM 0 HB2 ASP A 422 1.255 4.531 -8.212 1.00 0.20 H new ATOM 0 HB3 ASP A 422 1.030 5.569 -6.819 1.00 0.20 H new ATOM 1308 N SER A 423 3.814 2.470 -7.365 1.00 0.15 N ATOM 1309 CA SER A 423 5.186 2.088 -7.543 1.00 0.19 C ATOM 1310 C SER A 423 5.489 1.939 -8.994 1.00 0.15 C ATOM 1311 O SER A 423 5.187 0.934 -9.636 1.00 0.16 O ATOM 1312 CB SER A 423 5.425 0.779 -6.813 1.00 0.26 C ATOM 1313 OG SER A 423 4.288 -0.052 -6.933 1.00 1.48 O ATOM 0 H SER A 423 3.148 1.983 -7.965 1.00 0.15 H new ATOM 0 HA SER A 423 5.843 2.857 -7.136 1.00 0.19 H new ATOM 0 HB2 SER A 423 6.299 0.276 -7.226 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.636 0.972 -5.761 1.00 0.26 H new ATOM 0 HG SER A 423 3.573 0.287 -6.355 1.00 1.48 H new ATOM 1319 N ASP A 424 6.105 2.975 -9.487 1.00 0.13 N ATOM 1320 CA ASP A 424 6.529 3.032 -10.854 1.00 0.13 C ATOM 1321 C ASP A 424 7.979 2.587 -10.973 1.00 0.12 C ATOM 1322 O ASP A 424 8.399 2.016 -11.981 1.00 0.15 O ATOM 1323 CB ASP A 424 6.286 4.434 -11.358 1.00 0.15 C ATOM 1324 CG ASP A 424 6.863 4.694 -12.735 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.152 4.459 -13.737 1.00 0.34 O ATOM 1326 OD2 ASP A 424 8.028 5.131 -12.821 1.00 0.35 O1- ATOM 0 H ASP A 424 6.328 3.810 -8.946 1.00 0.13 H new ATOM 0 HA ASP A 424 5.958 2.345 -11.478 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.212 4.621 -11.382 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.718 5.144 -10.653 1.00 0.15 H new ATOM 1331 N TRP A 425 8.738 2.872 -9.905 1.00 0.12 N ATOM 1332 CA TRP A 425 10.119 2.413 -9.770 1.00 0.14 C ATOM 1333 C TRP A 425 10.129 0.923 -9.550 1.00 0.15 C ATOM 1334 O TRP A 425 11.100 0.237 -9.845 1.00 0.18 O ATOM 1335 CB TRP A 425 10.783 3.087 -8.566 1.00 0.14 C ATOM 1336 CG TRP A 425 10.285 2.626 -7.238 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.653 1.522 -6.539 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.339 3.305 -6.448 1.00 0.12 C ATOM 1339 NE1 TRP A 425 9.978 1.478 -5.343 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.165 2.574 -5.265 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.628 4.470 -6.637 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.294 2.986 -4.271 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.774 4.884 -5.661 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.608 4.148 -4.488 1.00 0.15 C ATOM 0 H TRP A 425 8.408 3.426 -9.115 1.00 0.12 H new ATOM 0 HA TRP A 425 10.665 2.667 -10.679 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.858 2.912 -8.616 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.632 4.164 -8.641 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.370 0.787 -6.873 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.068 0.751 -4.634 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.746 5.045 -7.544 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.162 2.414 -3.364 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.215 5.798 -5.797 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.922 4.504 -3.734 1.00 0.15 H new ATOM 1355 N GLN A 426 9.038 0.463 -8.969 1.00 0.15 N ATOM 1356 CA GLN A 426 8.868 -0.932 -8.602 1.00 0.17 C ATOM 1357 C GLN A 426 7.765 -1.527 -9.411 1.00 0.18 C ATOM 1358 O GLN A 426 6.621 -1.656 -8.986 1.00 0.28 O ATOM 1359 CB GLN A 426 8.496 -1.010 -7.161 1.00 0.18 C ATOM 1360 CG GLN A 426 9.524 -1.681 -6.268 1.00 0.58 C ATOM 1361 CD GLN A 426 9.620 -3.186 -6.461 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.703 -3.755 -6.339 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.502 -3.860 -6.735 1.00 0.22 N ATOM 0 H GLN A 426 8.237 1.051 -8.736 1.00 0.15 H new ATOM 0 HA GLN A 426 9.796 -1.474 -8.785 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.320 0.000 -6.792 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.553 -1.550 -7.073 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.501 -1.237 -6.459 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.277 -1.473 -5.227 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.617 -3.362 -6.831 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.532 -4.873 -6.849 1.00 0.22 H new ATOM 1372 N PRO A 427 8.156 -1.892 -10.594 1.00 0.16 N ATOM 1373 CA PRO A 427 7.284 -2.138 -11.703 1.00 0.18 C ATOM 1374 C PRO A 427 6.624 -3.495 -11.674 1.00 0.16 C ATOM 1375 O PRO A 427 5.935 -3.873 -12.622 1.00 0.18 O ATOM 1376 CB PRO A 427 8.257 -2.033 -12.856 1.00 0.23 C ATOM 1377 CG PRO A 427 9.462 -2.651 -12.306 1.00 0.23 C ATOM 1378 CD PRO A 427 9.544 -2.073 -10.954 1.00 0.19 C ATOM 0 HA PRO A 427 6.436 -1.454 -11.735 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.898 -2.559 -13.740 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.429 -0.997 -13.150 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.380 -3.738 -12.276 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.344 -2.414 -12.900 1.00 0.23 H new ATOM 0 HD2 PRO A 427 10.057 -2.739 -10.261 1.00 0.19 H new ATOM 0 HD3 PRO A 427 10.088 -1.129 -10.951 1.00 0.19 H new ATOM 1386 N GLU A 428 6.848 -4.223 -10.594 1.00 0.14 N ATOM 1387 CA GLU A 428 6.274 -5.535 -10.447 1.00 0.14 C ATOM 1388 C GLU A 428 5.304 -5.567 -9.287 1.00 0.12 C ATOM 1389 O GLU A 428 5.451 -4.825 -8.323 1.00 0.15 O ATOM 1390 CB GLU A 428 7.341 -6.558 -10.191 1.00 0.17 C ATOM 1391 CG GLU A 428 7.037 -7.882 -10.815 1.00 0.22 C ATOM 1392 CD GLU A 428 7.747 -8.088 -12.133 1.00 0.64 C ATOM 1393 OE1 GLU A 428 7.319 -7.501 -13.143 1.00 1.10 O1- ATOM 1394 OE2 GLU A 428 8.746 -8.835 -12.161 1.00 0.98 O ATOM 0 H GLU A 428 7.425 -3.921 -9.809 1.00 0.14 H new ATOM 0 HA GLU A 428 5.753 -5.767 -11.376 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.291 -6.189 -10.577 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.463 -6.688 -9.116 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.323 -8.677 -10.126 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.961 -7.966 -10.970 1.00 0.22 H new ATOM 1401 N TYR A 429 4.350 -6.471 -9.402 1.00 0.11 N ATOM 1402 CA TYR A 429 3.206 -6.595 -8.501 1.00 0.10 C ATOM 1403 C TYR A 429 2.581 -7.945 -8.723 1.00 0.10 C ATOM 1404 O TYR A 429 2.272 -8.312 -9.858 1.00 0.14 O ATOM 1405 CB TYR A 429 2.129 -5.592 -8.829 1.00 0.13 C ATOM 1406 CG TYR A 429 2.599 -4.315 -9.471 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.725 -4.214 -10.846 1.00 0.23 C ATOM 1408 CD2 TYR A 429 2.925 -3.218 -8.696 1.00 0.19 C ATOM 1409 CE1 TYR A 429 3.168 -3.054 -11.432 1.00 0.29 C ATOM 1410 CE2 TYR A 429 3.372 -2.049 -9.275 1.00 0.25 C ATOM 1411 CZ TYR A 429 3.492 -1.974 -10.644 1.00 0.30 C ATOM 1412 OH TYR A 429 3.942 -0.816 -11.229 1.00 0.38 O ATOM 0 H TYR A 429 4.344 -7.166 -10.149 1.00 0.11 H new ATOM 0 HA TYR A 429 3.566 -6.442 -7.483 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.407 -6.066 -9.493 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.600 -5.341 -7.910 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.471 -5.060 -11.467 1.00 0.23 H new ATOM 0 HD2 TYR A 429 2.828 -3.277 -7.622 1.00 0.19 H new ATOM 0 HE1 TYR A 429 3.262 -2.990 -12.506 1.00 0.29 H new ATOM 0 HE2 TYR A 429 3.626 -1.199 -8.659 1.00 0.25 H new ATOM 0 HH TYR A 429 4.588 -0.379 -10.635 1.00 0.38 H new ATOM 1422 N GLY A 430 2.441 -8.697 -7.678 1.00 0.10 N ATOM 1423 CA GLY A 430 1.846 -9.989 -7.812 1.00 0.12 C ATOM 1424 C GLY A 430 2.446 -10.937 -6.829 1.00 0.13 C ATOM 1425 O GLY A 430 3.182 -10.489 -5.953 1.00 0.13 O ATOM 0 H GLY A 430 2.727 -8.443 -6.732 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.770 -9.920 -7.652 1.00 0.12 H new ATOM 0 HA3 GLY A 430 1.994 -10.362 -8.825 1.00 0.12 H new ATOM 1429 N GLY A 431 2.198 -12.237 -7.036 1.00 0.16 N ATOM 1430 CA GLY A 431 2.801 -13.298 -6.231 1.00 0.20 C ATOM 1431 C GLY A 431 4.172 -12.940 -5.706 1.00 0.17 C ATOM 1432 O GLY A 431 4.929 -12.252 -6.390 1.00 0.16 O ATOM 0 H GLY A 431 1.574 -12.579 -7.767 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.145 -13.525 -5.391 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.874 -14.204 -6.832 1.00 0.20 H new ATOM 1436 N ASP A 432 4.549 -13.526 -4.572 1.00 0.18 N ATOM 1437 CA ASP A 432 5.496 -12.901 -3.666 1.00 0.18 C ATOM 1438 C ASP A 432 6.737 -12.455 -4.360 1.00 0.18 C ATOM 1439 O ASP A 432 7.666 -13.199 -4.660 1.00 0.19 O ATOM 1440 CB ASP A 432 5.938 -13.887 -2.586 1.00 0.22 C ATOM 1441 CG ASP A 432 4.819 -14.678 -1.949 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.172 -15.460 -2.671 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.576 -14.514 -0.737 1.00 0.33 O1- ATOM 0 H ASP A 432 4.209 -14.436 -4.262 1.00 0.18 H new ATOM 0 HA ASP A 432 4.976 -12.042 -3.242 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.653 -14.584 -3.022 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.464 -13.337 -1.806 1.00 0.22 H new ATOM 1448 N LEU A 433 6.686 -11.178 -4.584 1.00 0.16 N ATOM 1449 CA LEU A 433 7.754 -10.396 -5.071 1.00 0.15 C ATOM 1450 C LEU A 433 8.411 -9.738 -3.903 1.00 0.14 C ATOM 1451 O LEU A 433 9.602 -9.500 -3.919 1.00 0.15 O ATOM 1452 CB LEU A 433 7.145 -9.406 -6.019 1.00 0.14 C ATOM 1453 CG LEU A 433 6.732 -10.024 -7.338 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.783 -9.111 -8.074 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.963 -10.334 -8.164 1.00 0.18 C ATOM 0 H LEU A 433 5.841 -10.631 -4.418 1.00 0.16 H new ATOM 0 HA LEU A 433 8.517 -10.972 -5.594 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.273 -8.951 -5.549 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.860 -8.605 -6.208 1.00 0.14 H new ATOM 0 HG LEU A 433 6.204 -10.959 -7.151 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.496 -9.570 -9.020 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.893 -8.945 -7.467 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.273 -8.157 -8.268 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.662 -10.779 -9.113 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.515 -9.414 -8.354 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.599 -11.033 -7.621 1.00 0.18 H new ATOM 1467 N TRP A 434 7.617 -9.426 -2.896 1.00 0.14 N ATOM 1468 CA TRP A 434 8.096 -8.663 -1.758 1.00 0.14 C ATOM 1469 C TRP A 434 9.406 -9.214 -1.229 1.00 0.17 C ATOM 1470 O TRP A 434 10.339 -8.461 -0.947 1.00 0.22 O ATOM 1471 CB TRP A 434 7.024 -8.583 -0.662 1.00 0.15 C ATOM 1472 CG TRP A 434 6.401 -9.893 -0.262 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.566 -10.675 -1.006 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.513 -10.540 1.013 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.203 -11.792 -0.287 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.764 -11.721 0.955 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.189 -10.241 2.187 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.675 -12.595 2.033 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.099 -11.102 3.258 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.346 -12.269 3.175 1.00 0.19 C ATOM 0 H TRP A 434 6.633 -9.690 -2.843 1.00 0.14 H new ATOM 0 HA TRP A 434 8.296 -7.646 -2.097 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.469 -8.128 0.223 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.233 -7.914 -1.001 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.238 -10.451 -2.010 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.611 -12.550 -0.628 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.781 -9.341 2.260 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.093 -13.503 1.968 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.620 -10.868 4.175 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.292 -12.928 4.029 1.00 0.19 H new ATOM 1491 N LYS A 435 9.492 -10.535 -1.219 1.00 0.17 N ATOM 1492 CA LYS A 435 10.630 -11.249 -0.704 1.00 0.19 C ATOM 1493 C LYS A 435 11.902 -10.914 -1.435 1.00 0.20 C ATOM 1494 O LYS A 435 12.996 -11.025 -0.886 1.00 0.22 O ATOM 1495 CB LYS A 435 10.350 -12.708 -0.827 1.00 0.20 C ATOM 1496 CG LYS A 435 9.294 -13.115 0.126 1.00 0.22 C ATOM 1497 CD LYS A 435 9.124 -14.586 0.112 1.00 0.26 C ATOM 1498 CE LYS A 435 8.026 -14.955 1.046 1.00 0.35 C ATOM 1499 NZ LYS A 435 6.983 -15.817 0.423 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.756 -11.144 -1.577 1.00 0.17 H new ATOM 0 HA LYS A 435 10.780 -10.957 0.336 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.038 -12.940 -1.845 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.260 -13.276 -0.635 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.554 -12.782 1.131 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.353 -12.631 -0.136 1.00 0.22 H new ATOM 0 HD2 LYS A 435 8.892 -14.929 -0.896 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.052 -15.075 0.409 1.00 0.26 H new ATOM 0 HE2 LYS A 435 8.450 -15.474 1.906 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.558 -14.045 1.422 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 6.685 -16.546 1.102 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 6.163 -15.234 0.158 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 7.372 -16.273 -0.427 1.00 0.64 H new ATOM 1513 N THR A 436 11.751 -10.491 -2.660 1.00 0.19 N ATOM 1514 CA THR A 436 12.886 -10.206 -3.491 1.00 0.21 C ATOM 1515 C THR A 436 12.977 -8.714 -3.766 1.00 0.19 C ATOM 1516 O THR A 436 14.063 -8.130 -3.800 1.00 0.23 O ATOM 1517 CB THR A 436 12.765 -10.977 -4.814 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.640 -10.505 -5.569 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.576 -12.449 -4.519 1.00 0.25 C ATOM 0 H THR A 436 10.847 -10.336 -3.106 1.00 0.19 H new ATOM 0 HA THR A 436 13.792 -10.521 -2.973 1.00 0.21 H new ATOM 0 HB THR A 436 13.674 -10.822 -5.395 1.00 0.22 H new ATOM 0 HG1 THR A 436 10.954 -10.166 -4.957 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.490 -13.000 -5.456 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.433 -12.820 -3.957 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.669 -12.589 -3.931 1.00 0.25 H new ATOM 1527 N ARG A 437 11.812 -8.102 -3.913 1.00 0.16 N ATOM 1528 CA ARG A 437 11.711 -6.727 -4.377 1.00 0.15 C ATOM 1529 C ARG A 437 11.851 -5.727 -3.248 1.00 0.17 C ATOM 1530 O ARG A 437 12.079 -4.543 -3.489 1.00 0.20 O ATOM 1531 CB ARG A 437 10.393 -6.562 -5.078 1.00 0.14 C ATOM 1532 CG ARG A 437 10.207 -7.558 -6.172 1.00 0.15 C ATOM 1533 CD ARG A 437 9.478 -6.962 -7.349 1.00 0.17 C ATOM 1534 NE ARG A 437 10.274 -5.922 -8.004 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.682 -5.967 -9.275 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.421 -7.025 -10.033 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.379 -4.959 -9.783 1.00 0.36 N ATOM 0 H ARG A 437 10.913 -8.542 -3.715 1.00 0.16 H new ATOM 0 HA ARG A 437 12.533 -6.526 -5.064 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.584 -6.664 -4.355 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.327 -5.555 -5.491 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.179 -7.929 -6.496 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.649 -8.414 -5.794 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.242 -7.747 -8.067 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.530 -6.540 -7.015 1.00 0.17 H new ATOM 0 HE ARG A 437 10.535 -5.106 -7.451 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.904 -7.815 -9.646 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.737 -7.048 -11.002 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.603 -4.150 -9.203 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.691 -4.993 -10.754 1.00 0.36 H new ATOM 1551 N GLY A 438 11.710 -6.190 -2.037 1.00 0.16 N ATOM 1552 CA GLY A 438 12.195 -5.408 -0.913 1.00 0.17 C ATOM 1553 C GLY A 438 11.355 -4.191 -0.525 1.00 0.17 C ATOM 1554 O GLY A 438 11.909 -3.123 -0.255 1.00 0.21 O ATOM 0 H GLY A 438 11.276 -7.081 -1.797 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.269 -6.064 -0.046 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.205 -5.068 -1.142 1.00 0.17 H new ATOM 1558 N SER A 439 10.038 -4.324 -0.495 1.00 0.15 N ATOM 1559 CA SER A 439 9.181 -3.241 -0.019 1.00 0.16 C ATOM 1560 C SER A 439 9.128 -3.283 1.514 1.00 0.14 C ATOM 1561 O SER A 439 8.893 -4.323 2.091 1.00 0.20 O ATOM 1562 CB SER A 439 7.787 -3.443 -0.594 1.00 0.22 C ATOM 1563 OG SER A 439 7.871 -3.859 -1.945 1.00 0.47 O ATOM 0 H SER A 439 9.539 -5.163 -0.791 1.00 0.15 H new ATOM 0 HA SER A 439 9.572 -2.274 -0.336 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.249 -4.189 -0.009 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.220 -2.515 -0.526 1.00 0.22 H new ATOM 0 HG SER A 439 7.509 -3.158 -2.526 1.00 0.47 H new ATOM 1569 N HIS A 440 9.341 -2.155 2.169 1.00 0.14 N ATOM 1570 CA HIS A 440 9.527 -2.131 3.622 1.00 0.16 C ATOM 1571 C HIS A 440 8.236 -1.760 4.316 1.00 0.16 C ATOM 1572 O HIS A 440 8.124 -0.686 4.900 1.00 0.21 O ATOM 1573 CB HIS A 440 10.613 -1.124 4.034 1.00 0.22 C ATOM 1574 CG HIS A 440 11.994 -1.462 3.603 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.442 -1.273 2.328 1.00 0.33 N ATOM 1576 CD2 HIS A 440 13.046 -1.940 4.306 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.701 -1.621 2.258 1.00 0.41 C ATOM 1578 NE2 HIS A 440 14.102 -2.039 3.442 1.00 0.38 N ATOM 0 H HIS A 440 9.391 -1.239 1.723 1.00 0.14 H new ATOM 0 HA HIS A 440 9.838 -3.132 3.922 1.00 0.16 H new ATOM 0 HB2 HIS A 440 10.352 -0.147 3.626 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.603 -1.029 5.120 1.00 0.22 H new ATOM 0 HD2 HIS A 440 13.051 -2.196 5.355 1.00 0.30 H new ATOM 0 HE1 HIS A 440 14.315 -1.573 1.371 1.00 0.41 H new ATOM 0 HE2 HIS A 440 15.036 -2.377 3.673 1.00 0.38 H new ATOM 1587 N GLY A 441 7.262 -2.652 4.236 1.00 0.15 N ATOM 1588 CA GLY A 441 5.987 -2.410 4.859 1.00 0.16 C ATOM 1589 C GLY A 441 5.070 -1.694 3.912 1.00 0.15 C ATOM 1590 O GLY A 441 3.867 -1.647 4.106 1.00 0.18 O ATOM 0 H GLY A 441 7.337 -3.544 3.746 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.539 -3.356 5.164 1.00 0.16 H new ATOM 0 HA3 GLY A 441 6.123 -1.816 5.762 1.00 0.16 H new ATOM 1594 N CYS A 442 5.651 -1.163 2.860 1.00 0.14 N ATOM 1595 CA CYS A 442 4.903 -0.405 1.891 1.00 0.16 C ATOM 1596 C CYS A 442 4.310 -1.324 0.838 1.00 0.18 C ATOM 1597 O CYS A 442 4.879 -2.374 0.525 1.00 0.28 O ATOM 1598 CB CYS A 442 5.793 0.649 1.251 1.00 0.20 C ATOM 1599 SG CYS A 442 7.224 -0.032 0.373 1.00 0.83 S ATOM 0 H CYS A 442 6.647 -1.245 2.656 1.00 0.14 H new ATOM 0 HA CYS A 442 4.081 0.100 2.399 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.198 1.238 0.553 1.00 0.20 H new ATOM 0 HB3 CYS A 442 6.145 1.331 2.025 1.00 0.20 H new ATOM 0 HG CYS A 442 7.412 0.630 -0.730 1.00 0.83 H new ATOM 1605 N ILE A 443 3.158 -0.946 0.321 1.00 0.13 N ATOM 1606 CA ILE A 443 2.469 -1.732 -0.675 1.00 0.12 C ATOM 1607 C ILE A 443 2.669 -1.126 -2.050 1.00 0.12 C ATOM 1608 O ILE A 443 2.319 0.029 -2.291 1.00 0.15 O ATOM 1609 CB ILE A 443 0.966 -1.845 -0.342 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.750 -2.833 0.812 1.00 0.10 C ATOM 1611 CG2 ILE A 443 0.166 -2.275 -1.570 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.508 -2.525 2.082 1.00 0.10 C ATOM 0 H ILE A 443 2.676 -0.086 0.581 1.00 0.13 H new ATOM 0 HA ILE A 443 2.890 -2.737 -0.673 1.00 0.12 H new ATOM 0 HB ILE A 443 0.609 -0.862 -0.033 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.315 -2.867 1.044 1.00 0.10 H new ATOM 0 HG13 ILE A 443 1.034 -3.829 0.472 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -0.890 -2.347 -1.309 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.294 -1.539 -2.364 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.522 -3.246 -1.914 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.285 -3.284 2.832 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.578 -2.523 1.876 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.209 -1.546 2.456 1.00 0.10 H new ATOM 1624 N ASN A 444 3.267 -1.897 -2.937 1.00 0.14 N ATOM 1625 CA ASN A 444 3.530 -1.419 -4.284 1.00 0.16 C ATOM 1626 C ASN A 444 2.293 -1.544 -5.162 1.00 0.11 C ATOM 1627 O ASN A 444 2.085 -2.572 -5.802 1.00 0.12 O ATOM 1628 CB ASN A 444 4.713 -2.153 -4.942 1.00 0.30 C ATOM 1629 CG ASN A 444 6.001 -2.099 -4.137 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.865 -2.958 -4.285 1.00 1.56 O ATOM 1631 ND2 ASN A 444 6.132 -1.116 -3.261 1.00 1.77 N ATOM 0 H ASN A 444 3.579 -2.851 -2.753 1.00 0.14 H new ATOM 0 HA ASN A 444 3.797 -0.366 -4.192 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.438 -3.196 -5.098 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.894 -1.720 -5.926 1.00 0.30 H new ATOM 0 HD21 ASN A 444 6.971 -1.056 -2.683 1.00 1.77 H new ATOM 0 HD22 ASN A 444 5.394 -0.418 -3.163 1.00 1.77 H new ATOM 1638 N THR A 445 1.472 -0.505 -5.182 1.00 0.11 N ATOM 1639 CA THR A 445 0.329 -0.441 -6.068 1.00 0.10 C ATOM 1640 C THR A 445 0.755 0.158 -7.391 1.00 0.11 C ATOM 1641 O THR A 445 1.556 1.084 -7.445 1.00 0.14 O ATOM 1642 CB THR A 445 -0.781 0.400 -5.420 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.062 -0.125 -4.120 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.038 0.399 -6.265 1.00 0.14 C ATOM 0 H THR A 445 1.582 0.314 -4.584 1.00 0.11 H new ATOM 0 HA THR A 445 -0.060 -1.444 -6.246 1.00 0.10 H new ATOM 0 HB THR A 445 -0.439 1.432 -5.340 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.007 0.022 -3.905 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.804 1.003 -5.779 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.816 0.816 -7.247 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.400 -0.623 -6.378 1.00 0.14 H new ATOM 1652 N PRO A 446 0.271 -0.413 -8.482 1.00 0.09 N ATOM 1653 CA PRO A 446 0.599 0.040 -9.820 1.00 0.08 C ATOM 1654 C PRO A 446 0.229 1.478 -10.062 1.00 0.09 C ATOM 1655 O PRO A 446 -0.879 1.878 -9.738 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.231 -0.842 -10.718 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.491 -2.055 -9.903 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.620 -1.573 -8.505 1.00 0.09 C ATOM 0 HA PRO A 446 1.673 -0.021 -9.995 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.160 -0.352 -11.009 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.301 -1.087 -11.637 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.400 -2.560 -10.230 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.324 -2.773 -9.997 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.647 -1.300 -8.264 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.315 -2.332 -7.785 1.00 0.09 H new ATOM 1666 N PRO A 447 1.131 2.264 -10.620 1.00 0.09 N ATOM 1667 CA PRO A 447 0.995 3.724 -10.702 1.00 0.09 C ATOM 1668 C PRO A 447 -0.332 4.136 -11.277 1.00 0.09 C ATOM 1669 O PRO A 447 -1.005 5.040 -10.761 1.00 0.16 O ATOM 1670 CB PRO A 447 2.149 4.074 -11.631 1.00 0.10 C ATOM 1671 CG PRO A 447 3.159 3.076 -11.226 1.00 0.10 C ATOM 1672 CD PRO A 447 2.362 1.813 -11.267 1.00 0.09 C ATOM 0 HA PRO A 447 1.028 4.229 -9.737 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.875 3.978 -12.682 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.499 5.096 -11.485 1.00 0.10 H new ATOM 0 HG2 PRO A 447 4.007 3.049 -11.911 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.559 3.277 -10.232 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.192 1.461 -12.285 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.843 0.999 -10.724 1.00 0.09 H new ATOM 1680 N SER A 448 -0.741 3.400 -12.283 1.00 0.08 N ATOM 1681 CA SER A 448 -1.958 3.685 -12.975 1.00 0.09 C ATOM 1682 C SER A 448 -3.145 3.338 -12.090 1.00 0.09 C ATOM 1683 O SER A 448 -4.121 4.079 -12.019 1.00 0.11 O ATOM 1684 CB SER A 448 -2.026 2.885 -14.267 1.00 0.11 C ATOM 1685 OG SER A 448 -0.940 3.200 -15.124 1.00 1.17 O ATOM 0 H SER A 448 -0.234 2.589 -12.638 1.00 0.08 H new ATOM 0 HA SER A 448 -1.988 4.747 -13.217 1.00 0.09 H new ATOM 0 HB2 SER A 448 -2.015 1.819 -14.039 1.00 0.11 H new ATOM 0 HB3 SER A 448 -2.967 3.092 -14.777 1.00 0.11 H new ATOM 0 HG SER A 448 -1.008 2.670 -15.946 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.032 2.218 -11.394 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.092 1.752 -10.522 1.00 0.09 C ATOM 1693 C VAL A 449 -4.136 2.543 -9.213 1.00 0.10 C ATOM 1694 O VAL A 449 -5.197 2.741 -8.624 1.00 0.11 O ATOM 1695 CB VAL A 449 -3.908 0.268 -10.207 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -4.987 -0.199 -9.245 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -3.926 -0.556 -11.482 1.00 0.10 C ATOM 0 H VAL A 449 -2.211 1.613 -11.418 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.034 1.904 -11.049 1.00 0.09 H new ATOM 0 HB VAL A 449 -2.937 0.129 -9.731 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -4.847 -1.258 -9.027 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -4.922 0.374 -8.320 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -5.967 -0.048 -9.697 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.793 -1.610 -11.236 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.881 -0.419 -11.990 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.117 -0.232 -12.136 1.00 0.10 H new ATOM 1707 N MET A 450 -2.986 3.008 -8.762 1.00 0.10 N ATOM 1708 CA MET A 450 -2.889 3.774 -7.548 1.00 0.11 C ATOM 1709 C MET A 450 -3.596 5.113 -7.713 1.00 0.10 C ATOM 1710 O MET A 450 -3.978 5.762 -6.757 1.00 0.14 O ATOM 1711 CB MET A 450 -1.418 3.949 -7.257 1.00 0.13 C ATOM 1712 CG MET A 450 -1.161 4.600 -5.948 1.00 0.13 C ATOM 1713 SD MET A 450 -2.244 3.994 -4.662 1.00 0.46 S ATOM 1714 CE MET A 450 -2.335 5.474 -3.685 1.00 0.10 C ATOM 0 H MET A 450 -2.094 2.861 -9.234 1.00 0.10 H new ATOM 0 HA MET A 450 -3.375 3.266 -6.715 1.00 0.11 H new ATOM 0 HB2 MET A 450 -0.931 2.974 -7.274 1.00 0.13 H new ATOM 0 HB3 MET A 450 -0.965 4.545 -8.049 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.125 4.429 -5.657 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.289 5.678 -6.050 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.355 5.610 -3.324 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.657 5.391 -2.835 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.049 6.331 -4.295 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.744 5.495 -8.967 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.449 6.688 -9.382 1.00 0.11 C ATOM 1726 C LYS A 451 -5.937 6.489 -9.314 1.00 0.10 C ATOM 1727 O LYS A 451 -6.714 7.429 -9.204 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.042 6.923 -10.805 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.285 8.314 -11.280 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.264 8.743 -12.292 1.00 0.68 C ATOM 1731 CE LYS A 451 -2.891 7.592 -13.164 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.589 8.001 -14.558 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.363 4.964 -9.750 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.206 7.529 -8.733 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -2.982 6.693 -10.912 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.585 6.230 -11.447 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.281 8.380 -11.718 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.264 8.997 -10.431 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.662 9.556 -12.900 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.379 9.128 -11.786 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.021 7.089 -12.741 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.706 6.868 -13.171 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.336 7.162 -15.119 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.426 8.457 -14.975 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.793 8.671 -14.559 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.300 5.236 -9.427 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.663 4.803 -9.373 1.00 0.08 C ATOM 1748 C GLU A 452 -8.057 4.769 -7.959 1.00 0.07 C ATOM 1749 O GLU A 452 -9.118 5.221 -7.562 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.741 3.407 -9.934 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.166 3.293 -11.307 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.139 3.717 -12.386 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.317 4.938 -12.591 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.756 2.831 -13.011 1.00 0.38 O ATOM 0 H GLU A 452 -5.635 4.474 -9.562 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.313 5.468 -9.941 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.213 2.725 -9.268 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.783 3.089 -9.956 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.268 3.907 -11.372 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.861 2.262 -11.484 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.162 4.173 -7.231 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.241 4.075 -5.837 1.00 0.05 C ATOM 1763 C LEU A 453 -7.180 5.410 -5.168 1.00 0.05 C ATOM 1764 O LEU A 453 -8.129 5.824 -4.569 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.089 3.304 -5.324 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.230 2.909 -3.897 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.398 1.978 -3.754 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -4.955 2.285 -3.412 1.00 0.06 C ATOM 0 H LEU A 453 -6.331 3.730 -7.624 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.195 3.595 -5.618 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -5.963 2.407 -5.931 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.183 3.898 -5.441 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.420 3.788 -3.281 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.505 1.686 -2.709 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.307 2.481 -4.085 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.232 1.090 -4.364 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.065 1.998 -2.366 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.732 1.401 -4.009 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.140 3.002 -3.508 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.040 6.077 -5.235 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.937 7.397 -4.640 1.00 0.08 C ATOM 1782 C PHE A 454 -7.089 8.237 -5.166 1.00 0.09 C ATOM 1783 O PHE A 454 -7.578 9.176 -4.538 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.619 8.092 -4.977 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.349 9.277 -4.087 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.683 9.109 -2.888 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.780 10.547 -4.434 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.449 10.176 -2.046 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.551 11.622 -3.596 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.884 11.437 -2.400 1.00 0.29 C ATOM 0 H PHE A 454 -5.191 5.735 -5.685 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.974 7.288 -3.556 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.801 7.378 -4.884 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.640 8.419 -6.016 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.340 8.125 -2.605 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.300 10.699 -5.368 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.927 10.025 -1.113 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.894 12.607 -3.876 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.704 12.276 -1.745 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.508 7.831 -6.363 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.585 8.458 -7.059 1.00 0.11 C ATOM 1802 C GLY A 455 -9.926 8.213 -6.379 1.00 0.10 C ATOM 1803 O GLY A 455 -10.843 9.021 -6.506 1.00 0.13 O ATOM 0 H GLY A 455 -7.092 7.047 -6.866 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.401 9.531 -7.121 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.623 8.082 -8.081 1.00 0.11 H new ATOM 1807 N MET A 456 -10.051 7.070 -5.688 1.00 0.08 N ATOM 1808 CA MET A 456 -11.197 6.805 -4.822 1.00 0.09 C ATOM 1809 C MET A 456 -10.927 7.275 -3.397 1.00 0.10 C ATOM 1810 O MET A 456 -11.733 7.976 -2.785 1.00 0.13 O ATOM 1811 CB MET A 456 -11.515 5.304 -4.789 1.00 0.08 C ATOM 1812 CG MET A 456 -10.363 4.402 -5.083 1.00 0.06 C ATOM 1813 SD MET A 456 -10.853 2.744 -5.547 1.00 0.06 S ATOM 1814 CE MET A 456 -11.466 3.061 -7.176 1.00 0.07 C ATOM 0 H MET A 456 -9.366 6.315 -5.716 1.00 0.08 H new ATOM 0 HA MET A 456 -12.045 7.354 -5.230 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.909 5.054 -3.804 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.307 5.101 -5.510 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.769 4.835 -5.888 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.720 4.350 -4.205 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.784 2.124 -7.634 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.314 3.743 -7.119 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.678 3.511 -7.780 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.770 6.882 -2.898 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.427 6.997 -1.496 1.00 0.10 C ATOM 1826 C VAL A 457 -8.430 8.069 -1.184 1.00 0.17 C ATOM 1827 O VAL A 457 -7.401 8.242 -1.828 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.924 5.660 -0.948 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.039 4.976 -1.964 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.205 5.841 0.380 1.00 0.10 C ATOM 0 H VAL A 457 -9.031 6.467 -3.466 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.355 7.287 -1.004 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.787 5.021 -0.762 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.689 4.026 -1.560 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.606 4.795 -2.877 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.183 5.613 -2.188 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.860 4.872 0.742 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.350 6.503 0.243 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.889 6.278 1.108 1.00 0.10 H new ATOM 1840 N GLU A 458 -8.806 8.765 -0.159 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.051 9.771 0.468 1.00 0.26 C ATOM 1842 C GLU A 458 -8.261 9.623 1.936 1.00 0.15 C ATOM 1843 O GLU A 458 -8.904 8.664 2.370 1.00 0.08 O ATOM 1844 CB GLU A 458 -8.489 11.119 -0.002 1.00 0.42 C ATOM 1845 CG GLU A 458 -9.974 11.283 0.033 1.00 0.46 C ATOM 1846 CD GLU A 458 -10.415 12.702 -0.242 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -9.912 13.305 -1.215 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -11.237 13.235 0.532 1.00 0.83 O ATOM 0 H GLU A 458 -9.715 8.626 0.283 1.00 0.18 H new ATOM 0 HA GLU A 458 -6.993 9.676 0.224 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -8.027 11.885 0.621 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -8.133 11.279 -1.020 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -10.425 10.618 -0.704 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.346 10.975 1.010 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.694 10.529 2.705 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.873 10.499 4.113 1.00 0.13 C ATOM 1857 C LYS A 459 -9.286 10.270 4.532 1.00 0.14 C ATOM 1858 O LYS A 459 -10.253 10.634 3.856 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.394 11.749 4.755 1.00 0.14 C ATOM 1860 CG LYS A 459 -5.931 11.812 4.846 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.563 13.055 5.538 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.580 14.198 4.586 1.00 0.20 C ATOM 1863 NZ LYS A 459 -5.016 15.444 5.170 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.107 11.290 2.363 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.276 9.650 4.446 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.756 12.606 4.188 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.820 11.826 5.755 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.547 10.948 5.388 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.488 11.786 3.851 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.258 13.244 6.356 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.571 12.954 5.979 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.012 13.931 3.695 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.606 14.384 4.267 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.053 16.206 4.463 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.572 15.719 6.005 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -4.028 15.280 5.450 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.366 9.714 5.696 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.635 9.345 6.244 1.00 0.19 C ATOM 1879 C GLY A 460 -10.951 7.883 6.026 1.00 0.19 C ATOM 1880 O GLY A 460 -11.623 7.252 6.842 1.00 0.37 O ATOM 0 H GLY A 460 -8.565 9.503 6.291 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.643 9.561 7.312 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.416 9.955 5.789 1.00 0.19 H new ATOM 1884 N THR A 461 -10.447 7.346 4.926 1.00 0.12 N ATOM 1885 CA THR A 461 -10.681 5.978 4.555 1.00 0.10 C ATOM 1886 C THR A 461 -9.646 5.088 5.216 1.00 0.09 C ATOM 1887 O THR A 461 -8.491 5.473 5.380 1.00 0.12 O ATOM 1888 CB THR A 461 -10.606 5.847 3.019 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.795 6.383 2.425 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.391 4.405 2.550 1.00 0.08 C ATOM 0 H THR A 461 -9.861 7.859 4.267 1.00 0.12 H new ATOM 0 HA THR A 461 -11.671 5.667 4.889 1.00 0.10 H new ATOM 0 HB THR A 461 -9.735 6.417 2.695 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.740 6.298 1.450 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.347 4.379 1.461 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.455 4.025 2.960 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.217 3.783 2.895 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.049 3.905 5.648 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.136 2.932 6.157 1.00 0.10 C ATOM 1900 C PRO A 462 -8.367 2.268 5.057 1.00 0.09 C ATOM 1901 O PRO A 462 -8.673 2.407 3.881 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.007 1.884 6.830 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.378 2.395 6.756 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.413 3.419 5.683 1.00 0.07 C ATOM 0 HA PRO A 462 -8.414 3.399 6.827 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.921 0.922 6.325 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.703 1.729 7.865 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.077 1.588 6.539 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.678 2.828 7.710 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.713 2.991 4.727 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.120 4.217 5.910 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.392 1.525 5.455 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.756 0.595 4.569 1.00 0.14 C ATOM 1914 C VAL A 463 -6.559 -0.693 5.319 1.00 0.12 C ATOM 1915 O VAL A 463 -6.618 -0.733 6.546 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.416 1.079 3.959 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.414 2.572 3.727 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.228 0.665 4.769 1.00 1.09 C ATOM 0 H VAL A 463 -7.009 1.540 6.400 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.413 0.471 3.708 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.330 0.585 2.991 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.458 2.872 3.299 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.218 2.834 3.039 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.565 3.088 4.675 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.318 1.032 4.294 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.308 1.084 5.772 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.192 -0.423 4.832 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.410 -1.741 4.585 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.224 -3.032 5.157 1.00 0.06 C ATOM 1930 C LEU A 464 -5.051 -3.700 4.542 1.00 0.06 C ATOM 1931 O LEU A 464 -4.740 -3.472 3.388 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.441 -3.840 4.851 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.080 -4.539 6.018 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.405 -3.534 7.109 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.318 -5.238 5.525 1.00 0.13 C ATOM 0 H LEU A 464 -6.414 -1.728 3.565 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.061 -2.942 6.231 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.183 -3.184 4.396 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.177 -4.589 4.105 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.400 -5.275 6.447 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.868 -4.048 7.951 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.488 -3.047 7.441 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.093 -2.784 6.719 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.800 -5.753 6.356 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.006 -4.505 5.104 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -9.046 -5.962 4.757 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.373 -4.458 5.346 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.405 -5.400 4.883 1.00 0.06 C ATOM 1949 C VAL A 465 -3.499 -6.620 5.778 1.00 0.08 C ATOM 1950 O VAL A 465 -3.857 -6.483 6.950 1.00 0.09 O ATOM 1951 CB VAL A 465 -1.969 -4.830 4.850 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -1.928 -3.344 4.488 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.246 -5.084 6.119 1.00 0.07 C ATOM 0 H VAL A 465 -4.479 -4.438 6.360 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.624 -5.660 3.847 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.453 -5.366 4.053 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.894 -3.000 4.481 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.366 -3.198 3.501 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.495 -2.774 5.224 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.241 -4.668 6.055 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.782 -4.613 6.943 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.183 -6.158 6.293 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.231 -7.799 5.234 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.376 -9.032 5.990 1.00 0.14 C ATOM 1965 C PHE A 466 -2.813 -10.228 5.234 1.00 0.19 C ATOM 1966 O PHE A 466 -2.590 -10.115 4.012 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.844 -9.264 6.321 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.749 -9.229 5.126 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.770 -10.266 4.204 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.578 -8.148 4.926 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.605 -10.215 3.106 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.413 -8.098 3.840 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.431 -9.127 2.928 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.585 -11.277 5.872 1.00 1.08 O ATOM 0 H PHE A 466 -2.913 -7.926 4.273 1.00 0.11 H new ATOM 0 HA PHE A 466 -2.805 -8.929 6.913 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -4.947 -10.231 6.814 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.170 -8.506 7.034 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.127 -11.122 4.347 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.570 -7.331 5.632 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.611 -11.024 2.390 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.061 -7.245 3.700 1.00 0.17 H new ATOM 0 HZ PHE A 466 -8.091 -9.082 2.074 1.00 0.19 H new