USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 817 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 411 MET CE :methyl -109:sc= -3.16 (180deg=-4.56!) USER MOD Set 1.2: A 450 MET CE :methyl -167:sc= -4.64! (180deg=-5.83!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.7 K(o=-6.6,f=-5.9) USER MOD Set 2.2: A 442 CYS SG : rot 180:sc= -0.816 USER MOD Set 2.3: A 444 ASN : amide:sc= -2.09 K(o=-6.6,f=-3.7) USER MOD Set 3.1: A 370 SER OG : rot -40:sc= -2.49! USER MOD Set 3.2: A 377 THR OG1 : rot 90:sc= 1.23 USER MOD Set 4.1: A 356 TYR OH : rot 21:sc= -6.36! USER MOD Set 4.2: A 358 LYS NZ :NH3+ -174:sc= 1.22 (180deg=0.0949) USER MOD Single : A 343 THR OG1 : rot 5:sc= 0.76 USER MOD Single : A 344 TYR OH : rot 96:sc= 0.53 USER MOD Single : A 351 ASN : amide:sc= -1.5! X(o=-1.5!,f=-1.4) USER MOD Single : A 352 GLN : amide:sc= -3.73! C(o=-3.7!,f=-2.6!) USER MOD Single : A 353 HIS : no HE2:sc= -6.8! C(o=-6.8!,f=-7!) USER MOD Single : A 354 MET CE :methyl -124:sc= -5.32! (180deg=-6.86!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.48! USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 374 THR OG1 : rot 110:sc= -2.11! USER MOD Single : A 375 THR OG1 : rot -68:sc= 0.468 USER MOD Single : A 383 TYR OH : rot -120:sc= 1.27 USER MOD Single : A 386 ASN : amide:sc= -1.38! X(o=-1.4!,f=-1.1) USER MOD Single : A 387 LYS NZ :NH3+ -107:sc= 0.2 (180deg=0) 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 180:sc= 0 USER MOD Single : A 408 ASN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -139:sc= -3.37! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 439 SER OG : rot 45:sc= 0.0747 USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 445 THR OG1 : rot -137:sc= 0.957 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ -120:sc= 0.113 (180deg=-0.00171) USER MOD Single : A 456 MET CE :methyl -107:sc= -21! (180deg=-29.7!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= -0.681 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.076 0.923 6.310 1.00 0.24 N ATOM 61 CA ASP A 342 17.275 1.874 5.576 1.00 0.20 C ATOM 62 C ASP A 342 16.839 1.261 4.270 1.00 0.17 C ATOM 63 O ASP A 342 17.441 1.503 3.225 1.00 0.19 O ATOM 64 CB ASP A 342 18.040 3.163 5.282 1.00 0.22 C ATOM 65 CG ASP A 342 18.584 3.834 6.520 1.00 0.31 C ATOM 66 OD1 ASP A 342 17.869 4.666 7.110 1.00 0.39 O ATOM 67 OD2 ASP A 342 19.730 3.535 6.912 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.413 2.123 6.195 1.00 0.20 H new ATOM 0 HB2 ASP A 342 18.866 2.940 4.606 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.380 3.857 4.762 1.00 0.22 H new ATOM 72 N THR A 343 15.776 0.495 4.353 1.00 0.13 N ATOM 73 CA THR A 343 15.059 0.006 3.202 1.00 0.10 C ATOM 74 C THR A 343 13.655 -0.344 3.625 1.00 0.08 C ATOM 75 O THR A 343 13.468 -0.993 4.655 1.00 0.10 O ATOM 76 CB THR A 343 15.673 -1.241 2.555 1.00 0.11 C ATOM 77 OG1 THR A 343 16.995 -0.968 2.065 1.00 0.14 O ATOM 78 CG2 THR A 343 14.762 -1.681 1.421 1.00 0.08 C ATOM 0 H THR A 343 15.379 0.189 5.241 1.00 0.13 H new ATOM 0 HA THR A 343 15.097 0.804 2.460 1.00 0.10 H new ATOM 0 HB THR A 343 15.761 -2.036 3.296 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.258 -0.059 2.321 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.178 -2.568 0.944 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.773 -1.912 1.817 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.681 -0.879 0.687 1.00 0.08 H new ATOM 86 N TYR A 344 12.680 0.069 2.837 1.00 0.07 N ATOM 87 CA TYR A 344 11.291 -0.126 3.198 1.00 0.06 C ATOM 88 C TYR A 344 10.377 0.544 2.215 1.00 0.06 C ATOM 89 O TYR A 344 10.778 1.438 1.503 1.00 0.06 O ATOM 90 CB TYR A 344 11.028 0.485 4.561 1.00 0.08 C ATOM 91 CG TYR A 344 11.432 1.943 4.665 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.722 2.275 5.037 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.539 2.974 4.401 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.119 3.592 5.149 1.00 0.13 C ATOM 95 CE2 TYR A 344 10.922 4.292 4.508 1.00 0.11 C ATOM 96 CZ TYR A 344 12.213 4.601 4.885 1.00 0.13 C ATOM 97 OH TYR A 344 12.600 5.919 4.993 1.00 0.15 O ATOM 0 H TYR A 344 12.825 0.541 1.944 1.00 0.07 H new ATOM 0 HA TYR A 344 11.099 -1.199 3.204 1.00 0.06 H new ATOM 0 HB2 TYR A 344 9.966 0.394 4.791 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.568 -0.087 5.316 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.432 1.488 5.244 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.527 2.737 4.107 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.131 3.832 5.441 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.215 5.081 4.298 1.00 0.11 H new ATOM 0 HH TYR A 344 12.857 6.258 4.110 1.00 0.15 H new ATOM 107 N ILE A 345 9.146 0.094 2.165 1.00 0.06 N ATOM 108 CA ILE A 345 8.121 0.856 1.513 1.00 0.06 C ATOM 109 C ILE A 345 7.700 1.971 2.407 1.00 0.07 C ATOM 110 O ILE A 345 7.803 1.873 3.622 1.00 0.08 O ATOM 111 CB ILE A 345 6.856 0.060 1.191 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.155 -1.420 1.168 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.339 0.491 -0.158 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.227 -1.751 0.219 1.00 0.05 C ATOM 0 H ILE A 345 8.836 -0.791 2.567 1.00 0.06 H new ATOM 0 HA ILE A 345 8.560 1.194 0.574 1.00 0.06 H new ATOM 0 HB ILE A 345 6.106 0.251 1.959 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.442 -1.747 2.167 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.252 -1.968 0.900 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.436 -0.071 -0.398 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.109 1.556 -0.136 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.098 0.300 -0.917 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.409 -2.826 0.236 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.930 -1.449 -0.785 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.139 -1.225 0.502 1.00 0.05 H new ATOM 126 N GLU A 346 7.213 3.003 1.799 1.00 0.09 N ATOM 127 CA GLU A 346 6.795 4.174 2.510 1.00 0.12 C ATOM 128 C GLU A 346 5.638 4.801 1.745 1.00 0.17 C ATOM 129 O GLU A 346 5.538 4.669 0.543 1.00 0.21 O ATOM 130 CB GLU A 346 8.002 5.092 2.568 1.00 0.15 C ATOM 131 CG GLU A 346 7.923 6.280 3.505 1.00 0.13 C ATOM 132 CD GLU A 346 6.568 6.693 3.919 1.00 1.24 C ATOM 133 OE1 GLU A 346 5.864 5.889 4.555 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 6.216 7.851 3.628 1.00 1.53 O ATOM 0 H GLU A 346 7.092 3.061 0.788 1.00 0.09 H new ATOM 0 HA GLU A 346 6.450 3.964 3.523 1.00 0.12 H new ATOM 0 HB2 GLU A 346 8.868 4.494 2.852 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.190 5.467 1.562 1.00 0.15 H new ATOM 0 HG2 GLU A 346 8.500 6.049 4.401 1.00 0.13 H new ATOM 0 HG3 GLU A 346 8.408 7.129 3.024 1.00 0.13 H new ATOM 141 N VAL A 347 4.734 5.395 2.474 1.00 0.17 N ATOM 142 CA VAL A 347 3.654 6.151 1.933 1.00 0.17 C ATOM 143 C VAL A 347 3.424 7.401 2.749 1.00 0.20 C ATOM 144 O VAL A 347 3.686 7.437 3.924 1.00 0.45 O ATOM 145 CB VAL A 347 2.344 5.396 1.953 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.430 6.084 0.988 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.526 3.921 1.634 1.00 0.15 C ATOM 0 H VAL A 347 4.735 5.361 3.493 1.00 0.17 H new ATOM 0 HA VAL A 347 3.941 6.374 0.905 1.00 0.17 H new ATOM 0 HB VAL A 347 1.911 5.409 2.953 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.468 5.571 0.969 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.284 7.118 1.300 1.00 0.14 H new ATOM 0 HG13 VAL A 347 1.871 6.064 -0.008 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.558 3.421 1.660 1.00 0.15 H new ATOM 0 HG22 VAL A 347 2.962 3.815 0.641 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.188 3.468 2.372 1.00 0.15 H new ATOM 157 N ASP A 348 2.872 8.395 2.127 1.00 0.10 N ATOM 158 CA ASP A 348 2.520 9.612 2.789 1.00 0.09 C ATOM 159 C ASP A 348 1.161 10.011 2.265 1.00 0.08 C ATOM 160 O ASP A 348 1.011 10.435 1.133 1.00 0.10 O ATOM 161 CB ASP A 348 3.575 10.680 2.492 1.00 0.12 C ATOM 162 CG ASP A 348 3.467 11.874 3.410 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.334 12.358 3.637 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.511 12.317 3.937 1.00 0.24 O ATOM 0 H ASP A 348 2.650 8.384 1.131 1.00 0.10 H new ATOM 0 HA ASP A 348 2.481 9.493 3.872 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.568 10.241 2.588 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.471 11.010 1.458 1.00 0.12 H new ATOM 169 N LEU A 349 0.181 9.812 3.113 1.00 0.08 N ATOM 170 CA LEU A 349 -1.238 9.822 2.755 1.00 0.09 C ATOM 171 C LEU A 349 -1.719 11.222 2.635 1.00 0.12 C ATOM 172 O LEU A 349 -2.582 11.564 1.843 1.00 0.16 O ATOM 173 CB LEU A 349 -2.029 9.136 3.854 1.00 0.10 C ATOM 174 CG LEU A 349 -1.425 7.832 4.311 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.818 7.130 3.133 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.386 8.092 5.369 1.00 0.08 C ATOM 0 H LEU A 349 0.342 9.632 4.104 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.371 9.304 1.805 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.107 9.809 4.708 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.043 8.952 3.499 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.199 7.197 4.741 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.380 6.186 3.458 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.590 6.934 2.389 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.043 7.758 2.695 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.046 7.146 5.695 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.399 8.728 4.960 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.850 8.591 6.220 1.00 0.08 H new ATOM 188 N GLU A 350 -1.140 11.986 3.522 1.00 0.13 N ATOM 189 CA GLU A 350 -1.337 13.409 3.638 1.00 0.15 C ATOM 190 C GLU A 350 -1.017 14.030 2.322 1.00 0.14 C ATOM 191 O GLU A 350 -1.685 14.931 1.821 1.00 0.17 O ATOM 192 CB GLU A 350 -0.355 13.902 4.659 1.00 0.18 C ATOM 193 CG GLU A 350 -0.208 12.963 5.793 1.00 0.19 C ATOM 194 CD GLU A 350 -0.271 13.625 7.151 1.00 0.28 C ATOM 195 OE1 GLU A 350 0.531 14.550 7.400 1.00 0.57 O ATOM 196 OE2 GLU A 350 -1.116 13.226 7.977 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.489 11.618 4.215 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.359 13.655 3.926 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.615 14.051 4.185 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.679 14.873 5.033 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -0.992 12.209 5.731 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.744 12.441 5.698 1.00 0.19 H new ATOM 203 N ASN A 351 0.090 13.535 1.828 1.00 0.12 N ATOM 204 CA ASN A 351 0.699 14.021 0.602 1.00 0.11 C ATOM 205 C ASN A 351 0.376 13.106 -0.557 1.00 0.09 C ATOM 206 O ASN A 351 0.891 13.262 -1.668 1.00 0.10 O ATOM 207 CB ASN A 351 2.204 14.122 0.808 1.00 0.13 C ATOM 208 CG ASN A 351 2.526 15.194 1.811 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.837 16.329 1.456 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.421 14.847 3.072 1.00 0.18 N ATOM 0 H ASN A 351 0.605 12.772 2.268 1.00 0.12 H new ATOM 0 HA ASN A 351 0.298 15.006 0.362 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.595 13.164 1.152 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.693 14.344 -0.141 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.601 15.532 3.806 1.00 0.18 H new ATOM 0 HD22 ASN A 351 2.160 13.892 3.318 1.00 0.18 H new ATOM 217 N GLN A 352 -0.501 12.152 -0.234 1.00 0.08 N ATOM 218 CA GLN A 352 -0.920 11.062 -1.108 1.00 0.08 C ATOM 219 C GLN A 352 0.183 10.598 -2.043 1.00 0.07 C ATOM 220 O GLN A 352 0.031 10.611 -3.263 1.00 0.08 O ATOM 221 CB GLN A 352 -2.172 11.390 -1.907 1.00 0.12 C ATOM 222 CG GLN A 352 -3.402 11.642 -1.059 1.00 0.21 C ATOM 223 CD GLN A 352 -3.537 13.082 -0.577 1.00 1.28 C ATOM 224 OE1 GLN A 352 -4.154 13.346 0.456 1.00 2.15 O ATOM 225 NE2 GLN A 352 -2.959 14.024 -1.305 1.00 1.89 N ATOM 0 H GLN A 352 -0.954 12.120 0.679 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.158 10.241 -0.431 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -1.979 12.272 -2.518 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.379 10.567 -2.591 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.289 11.378 -1.635 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.376 10.981 -0.193 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -2.455 13.774 -2.156 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -3.017 15.000 -1.015 1.00 1.89 H new ATOM 234 N HIS A 353 1.263 10.132 -1.463 1.00 0.05 N ATOM 235 CA HIS A 353 2.399 9.686 -2.241 1.00 0.05 C ATOM 236 C HIS A 353 3.005 8.462 -1.599 1.00 0.06 C ATOM 237 O HIS A 353 3.131 8.388 -0.397 1.00 0.07 O ATOM 238 CB HIS A 353 3.431 10.806 -2.353 1.00 0.06 C ATOM 239 CG HIS A 353 4.499 10.522 -3.352 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.480 10.954 -4.662 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.599 9.782 -3.223 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.536 10.466 -5.292 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.234 9.757 -4.429 1.00 0.07 N ATOM 0 H HIS A 353 1.381 10.051 -0.453 1.00 0.05 H new ATOM 0 HA HIS A 353 2.068 9.425 -3.246 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.925 11.732 -2.625 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.889 10.968 -1.377 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.767 11.553 -5.078 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.930 9.288 -2.321 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.783 10.622 -6.332 1.00 0.09 H new ATOM 252 N MET A 354 3.335 7.492 -2.415 1.00 0.05 N ATOM 253 CA MET A 354 3.918 6.276 -1.938 1.00 0.06 C ATOM 254 C MET A 354 5.349 6.153 -2.440 1.00 0.05 C ATOM 255 O MET A 354 5.715 6.744 -3.448 1.00 0.06 O ATOM 256 CB MET A 354 3.107 5.078 -2.384 1.00 0.07 C ATOM 257 CG MET A 354 3.393 3.830 -1.583 1.00 0.07 C ATOM 258 SD MET A 354 3.735 2.388 -2.599 1.00 0.06 S ATOM 259 CE MET A 354 4.957 3.060 -3.716 1.00 0.05 C ATOM 0 H MET A 354 3.205 7.529 -3.426 1.00 0.05 H new ATOM 0 HA MET A 354 3.921 6.301 -0.848 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.046 5.317 -2.305 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.312 4.881 -3.436 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.246 4.015 -0.930 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.539 3.617 -0.940 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.626 2.920 -4.745 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.085 4.124 -3.518 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.907 2.546 -3.568 1.00 0.05 H new ATOM 269 N TRP A 355 6.134 5.367 -1.746 1.00 0.05 N ATOM 270 CA TRP A 355 7.535 5.178 -2.051 1.00 0.07 C ATOM 271 C TRP A 355 7.954 3.760 -1.801 1.00 0.07 C ATOM 272 O TRP A 355 7.302 3.025 -1.080 1.00 0.11 O ATOM 273 CB TRP A 355 8.437 6.014 -1.146 1.00 0.08 C ATOM 274 CG TRP A 355 8.331 7.468 -1.307 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.056 8.252 -2.113 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.474 8.303 -0.582 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.679 9.555 -1.965 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.699 9.611 -0.999 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.529 8.056 0.382 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.982 10.672 -0.454 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.844 9.071 0.909 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.063 10.379 0.504 1.00 0.09 C ATOM 0 H TRP A 355 5.814 4.831 -0.939 1.00 0.05 H new ATOM 0 HA TRP A 355 7.641 5.466 -3.097 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.211 5.765 -0.109 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.472 5.722 -1.326 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.828 7.904 -2.784 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.057 10.350 -2.480 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.341 7.045 0.712 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.149 11.688 -0.779 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.102 8.870 1.668 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.494 11.178 0.957 1.00 0.09 H new ATOM 293 N TYR A 356 9.056 3.403 -2.391 1.00 0.04 N ATOM 294 CA TYR A 356 9.909 2.398 -1.831 1.00 0.04 C ATOM 295 C TYR A 356 11.165 3.083 -1.443 1.00 0.04 C ATOM 296 O TYR A 356 11.547 4.067 -2.038 1.00 0.05 O ATOM 297 CB TYR A 356 10.263 1.339 -2.801 1.00 0.03 C ATOM 298 CG TYR A 356 11.154 0.260 -2.206 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.643 -0.742 -1.406 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.510 0.282 -2.409 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.466 -1.677 -0.812 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.330 -0.645 -1.837 1.00 0.10 C ATOM 303 CZ TYR A 356 12.730 -1.786 -1.215 1.00 0.05 C ATOM 304 OH TYR A 356 13.651 -2.514 -0.420 1.00 0.26 O ATOM 0 H TYR A 356 9.388 3.799 -3.271 1.00 0.04 H new ATOM 0 HA TYR A 356 9.389 1.923 -0.999 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.349 0.880 -3.179 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.769 1.790 -3.654 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.577 -0.795 -1.241 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.938 1.050 -3.036 1.00 0.05 H new ATOM 0 HE1 TYR A 356 11.088 -2.315 -0.027 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.403 -0.522 -1.853 1.00 0.10 H new ATOM 0 HH TYR A 356 13.162 -3.126 0.170 1.00 0.26 H new ATOM 314 N TYR A 357 11.807 2.531 -0.498 1.00 0.05 N ATOM 315 CA TYR A 357 13.028 3.091 0.014 1.00 0.06 C ATOM 316 C TYR A 357 14.102 2.052 0.021 1.00 0.06 C ATOM 317 O TYR A 357 13.980 1.030 0.672 1.00 0.07 O ATOM 318 CB TYR A 357 12.867 3.640 1.423 1.00 0.07 C ATOM 319 CG TYR A 357 12.483 5.093 1.489 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.176 5.504 1.268 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.439 6.054 1.783 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.830 6.841 1.335 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.108 7.386 1.852 1.00 0.11 C ATOM 324 CZ TYR A 357 11.799 7.782 1.627 1.00 0.11 C ATOM 325 OH TYR A 357 11.461 9.116 1.694 1.00 0.14 O ATOM 0 H TYR A 357 11.514 1.668 -0.039 1.00 0.05 H new ATOM 0 HA TYR A 357 13.298 3.918 -0.643 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.109 3.054 1.943 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.804 3.500 1.962 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.418 4.769 1.040 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.460 5.751 1.961 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.809 7.148 1.160 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.865 8.121 2.081 1.00 0.11 H new ATOM 0 HH TYR A 357 12.257 9.645 1.910 1.00 0.14 H new ATOM 335 N LYS A 358 15.124 2.314 -0.735 1.00 0.07 N ATOM 336 CA LYS A 358 16.343 1.561 -0.658 1.00 0.09 C ATOM 337 C LYS A 358 17.412 2.539 -0.255 1.00 0.13 C ATOM 338 O LYS A 358 17.427 3.645 -0.733 1.00 0.25 O ATOM 339 CB LYS A 358 16.703 0.939 -1.993 1.00 0.11 C ATOM 340 CG LYS A 358 17.697 -0.173 -1.857 1.00 0.12 C ATOM 341 CD LYS A 358 17.032 -1.324 -1.218 1.00 0.09 C ATOM 342 CE LYS A 358 16.493 -2.230 -2.271 1.00 0.09 C ATOM 343 NZ LYS A 358 15.953 -3.496 -1.709 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.138 3.062 -1.429 1.00 0.07 H new ATOM 0 HA LYS A 358 16.237 0.743 0.055 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.799 0.558 -2.469 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.110 1.707 -2.651 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.084 -0.456 -2.836 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.548 0.152 -1.259 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.739 -1.862 -0.586 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.225 -0.979 -0.571 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.705 -1.715 -2.821 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.282 -2.461 -2.986 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.684 -4.134 -2.485 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.680 -3.953 -1.122 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.117 -3.288 -1.126 1.00 0.10 H new ATOM 357 N ASP A 359 18.278 2.131 0.643 1.00 0.13 N ATOM 358 CA ASP A 359 19.465 2.913 1.004 1.00 0.16 C ATOM 359 C ASP A 359 19.139 4.172 1.779 1.00 0.16 C ATOM 360 O ASP A 359 19.985 5.050 1.934 1.00 0.28 O ATOM 361 CB ASP A 359 20.264 3.314 -0.218 1.00 0.19 C ATOM 362 CG ASP A 359 21.737 2.980 -0.103 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.086 1.783 -0.171 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.556 3.913 0.036 1.00 0.39 O1- ATOM 0 H ASP A 359 18.191 1.250 1.150 1.00 0.13 H new ATOM 0 HA ASP A 359 20.050 2.250 1.641 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.852 2.813 -1.094 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.153 4.386 -0.381 1.00 0.19 H new ATOM 369 N GLY A 360 17.925 4.224 2.307 1.00 0.15 N ATOM 370 CA GLY A 360 17.441 5.429 2.956 1.00 0.15 C ATOM 371 C GLY A 360 16.998 6.468 1.992 1.00 0.14 C ATOM 372 O GLY A 360 16.645 7.586 2.363 1.00 0.18 O ATOM 0 H GLY A 360 17.262 3.449 2.298 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.610 5.173 3.613 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.231 5.838 3.586 1.00 0.15 H new ATOM 376 N LYS A 361 16.977 6.065 0.768 1.00 0.13 N ATOM 377 CA LYS A 361 16.553 6.884 -0.319 1.00 0.13 C ATOM 378 C LYS A 361 15.512 6.063 -1.031 1.00 0.09 C ATOM 379 O LYS A 361 15.222 4.958 -0.601 1.00 0.12 O ATOM 380 CB LYS A 361 17.767 7.146 -1.179 1.00 0.16 C ATOM 381 CG LYS A 361 18.234 5.914 -1.912 1.00 0.17 C ATOM 382 CD LYS A 361 19.238 6.219 -2.976 1.00 0.23 C ATOM 383 CE LYS A 361 18.617 7.079 -4.053 1.00 0.26 C ATOM 384 NZ LYS A 361 19.334 6.959 -5.348 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.263 5.128 0.486 1.00 0.13 H new ATOM 0 HA LYS A 361 16.136 7.850 -0.034 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.534 7.928 -1.902 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.577 7.521 -0.553 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.669 5.215 -1.198 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.375 5.417 -2.362 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.095 6.733 -2.540 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.610 5.291 -3.411 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.574 6.792 -4.189 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.622 8.121 -3.732 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.874 7.565 -6.057 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.323 7.257 -5.226 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.308 5.970 -5.669 1.00 0.37 H new ATOM 398 N VAL A 362 14.894 6.567 -2.062 1.00 0.09 N ATOM 399 CA VAL A 362 13.865 5.767 -2.669 1.00 0.07 C ATOM 400 C VAL A 362 14.210 5.112 -3.954 1.00 0.07 C ATOM 401 O VAL A 362 15.095 5.518 -4.705 1.00 0.10 O ATOM 402 CB VAL A 362 12.552 6.477 -2.845 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.109 7.010 -1.532 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.611 7.550 -3.860 1.00 0.09 C ATOM 0 H VAL A 362 15.070 7.479 -2.483 1.00 0.09 H new ATOM 0 HA VAL A 362 13.765 4.983 -1.919 1.00 0.07 H new ATOM 0 HB VAL A 362 11.826 5.754 -3.217 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.157 7.527 -1.652 1.00 0.07 H new ATOM 0 HG12 VAL A 362 11.989 6.187 -0.827 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.855 7.708 -1.152 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.634 8.026 -3.943 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.352 8.292 -3.563 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.890 7.124 -4.824 1.00 0.09 H new ATOM 414 N ALA A 363 13.424 4.083 -4.174 1.00 0.05 N ATOM 415 CA ALA A 363 13.514 3.253 -5.313 1.00 0.05 C ATOM 416 C ALA A 363 12.311 3.536 -6.144 1.00 0.05 C ATOM 417 O ALA A 363 12.275 3.357 -7.360 1.00 0.07 O ATOM 418 CB ALA A 363 13.513 1.803 -4.878 1.00 0.05 C ATOM 0 H ALA A 363 12.683 3.806 -3.530 1.00 0.05 H new ATOM 0 HA ALA A 363 14.429 3.442 -5.875 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.582 1.160 -5.755 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.366 1.619 -4.225 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.590 1.585 -4.340 1.00 0.05 H new ATOM 424 N LEU A 364 11.315 3.974 -5.411 1.00 0.04 N ATOM 425 CA LEU A 364 10.024 4.253 -5.931 1.00 0.04 C ATOM 426 C LEU A 364 9.496 5.537 -5.421 1.00 0.05 C ATOM 427 O LEU A 364 9.703 5.920 -4.273 1.00 0.06 O ATOM 428 CB LEU A 364 9.099 3.148 -5.520 1.00 0.04 C ATOM 429 CG LEU A 364 8.412 2.475 -6.658 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.430 2.134 -7.700 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.749 1.242 -6.164 1.00 0.05 C ATOM 0 H LEU A 364 11.397 4.147 -4.409 1.00 0.04 H new ATOM 0 HA LEU A 364 10.095 4.325 -7.016 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.665 2.404 -4.960 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.346 3.552 -4.843 1.00 0.04 H new ATOM 0 HG LEU A 364 7.659 3.133 -7.092 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.940 1.640 -8.539 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.914 3.046 -8.048 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.178 1.466 -7.273 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.244 0.744 -6.992 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.497 0.572 -5.739 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.019 1.503 -5.398 1.00 0.05 H new ATOM 443 N GLU A 365 8.785 6.163 -6.294 1.00 0.05 N ATOM 444 CA GLU A 365 8.110 7.361 -6.004 1.00 0.06 C ATOM 445 C GLU A 365 6.823 7.238 -6.724 1.00 0.05 C ATOM 446 O GLU A 365 6.812 7.095 -7.946 1.00 0.07 O ATOM 447 CB GLU A 365 8.914 8.505 -6.561 1.00 0.10 C ATOM 448 CG GLU A 365 9.070 9.687 -5.626 1.00 0.16 C ATOM 449 CD GLU A 365 10.161 10.629 -6.075 1.00 0.27 C ATOM 450 OE1 GLU A 365 9.937 11.381 -7.046 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.256 10.612 -5.476 1.00 0.48 O ATOM 0 H GLU A 365 8.659 5.839 -7.253 1.00 0.05 H new ATOM 0 HA GLU A 365 7.965 7.537 -4.938 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.905 8.138 -6.828 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.442 8.848 -7.482 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.126 10.229 -5.567 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.294 9.327 -4.622 1.00 0.16 H new ATOM 458 N THR A 366 5.744 7.263 -6.016 1.00 0.05 N ATOM 459 CA THR A 366 4.518 7.173 -6.685 1.00 0.06 C ATOM 460 C THR A 366 3.436 7.897 -5.947 1.00 0.06 C ATOM 461 O THR A 366 3.574 8.251 -4.798 1.00 0.07 O ATOM 462 CB THR A 366 4.157 5.699 -6.897 1.00 0.06 C ATOM 463 OG1 THR A 366 3.589 5.499 -8.174 1.00 0.07 O ATOM 464 CG2 THR A 366 3.176 5.237 -5.859 1.00 0.07 C ATOM 0 H THR A 366 5.698 7.343 -5.000 1.00 0.05 H new ATOM 0 HA THR A 366 4.614 7.656 -7.657 1.00 0.06 H new ATOM 0 HB THR A 366 5.079 5.123 -6.813 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.067 6.044 -8.834 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.934 4.188 -6.029 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.614 5.353 -4.868 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.267 5.835 -5.926 1.00 0.07 H new ATOM 472 N ASP A 367 2.373 8.114 -6.628 1.00 0.07 N ATOM 473 CA ASP A 367 1.254 8.793 -6.094 1.00 0.09 C ATOM 474 C ASP A 367 0.156 7.796 -5.763 1.00 0.09 C ATOM 475 O ASP A 367 -0.070 6.846 -6.496 1.00 0.11 O ATOM 476 CB ASP A 367 0.854 9.830 -7.125 1.00 0.13 C ATOM 477 CG ASP A 367 0.578 9.287 -8.525 1.00 0.98 C ATOM 478 OD1 ASP A 367 0.980 8.145 -8.839 1.00 1.80 O1- ATOM 479 OD2 ASP A 367 -0.012 10.029 -9.338 1.00 1.65 O ATOM 0 H ASP A 367 2.254 7.817 -7.596 1.00 0.07 H new ATOM 0 HA ASP A 367 1.472 9.299 -5.154 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.039 10.345 -6.771 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.646 10.576 -7.192 1.00 0.13 H new ATOM 484 N ILE A 368 -0.465 7.972 -4.602 1.00 0.09 N ATOM 485 CA ILE A 368 -1.403 6.988 -4.076 1.00 0.08 C ATOM 486 C ILE A 368 -2.633 7.617 -3.511 1.00 0.07 C ATOM 487 O ILE A 368 -2.846 8.824 -3.576 1.00 0.08 O ATOM 488 CB ILE A 368 -0.798 6.142 -2.955 1.00 0.09 C ATOM 489 CG1 ILE A 368 -0.006 6.994 -2.002 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.053 5.060 -3.530 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.835 7.625 -0.901 1.00 0.08 C ATOM 0 H ILE A 368 -0.335 8.789 -4.006 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.649 6.366 -4.936 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.612 5.684 -2.393 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.775 6.384 -1.549 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.492 7.783 -2.565 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.479 4.464 -2.723 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.554 4.421 -4.171 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.858 5.503 -4.117 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.190 8.223 -0.257 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.600 8.264 -1.342 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.312 6.843 -0.311 1.00 0.08 H new ATOM 503 N VAL A 369 -3.409 6.759 -2.910 1.00 0.07 N ATOM 504 CA VAL A 369 -4.575 7.147 -2.175 1.00 0.08 C ATOM 505 C VAL A 369 -4.813 6.112 -1.085 1.00 0.09 C ATOM 506 O VAL A 369 -4.925 4.916 -1.345 1.00 0.10 O ATOM 507 CB VAL A 369 -5.826 7.364 -3.088 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.551 7.023 -4.562 1.00 0.10 C ATOM 509 CG2 VAL A 369 -7.036 6.598 -2.574 1.00 0.09 C ATOM 0 H VAL A 369 -3.244 5.753 -2.919 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.405 8.122 -1.718 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.052 8.429 -3.042 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.454 7.192 -5.149 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.749 7.658 -4.939 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.255 5.977 -4.644 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.885 6.774 -3.234 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.809 5.532 -2.551 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.282 6.939 -1.568 1.00 0.09 H new ATOM 519 N SER A 370 -4.773 6.596 0.138 1.00 0.09 N ATOM 520 CA SER A 370 -4.949 5.773 1.326 1.00 0.08 C ATOM 521 C SER A 370 -6.430 5.511 1.579 1.00 0.08 C ATOM 522 O SER A 370 -7.252 5.742 0.692 1.00 0.10 O ATOM 523 CB SER A 370 -4.245 6.369 2.554 1.00 0.13 C ATOM 524 OG SER A 370 -3.575 5.357 3.258 1.00 1.26 O ATOM 0 H SER A 370 -4.616 7.583 0.343 1.00 0.09 H new ATOM 0 HA SER A 370 -4.468 4.813 1.142 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.537 7.137 2.241 1.00 0.13 H new ATOM 0 HB3 SER A 370 -4.975 6.854 3.203 1.00 0.13 H new ATOM 0 HG SER A 370 -4.129 4.549 3.276 1.00 1.26 H new ATOM 530 N GLY A 371 -6.787 4.989 2.735 1.00 0.09 N ATOM 531 CA GLY A 371 -8.169 4.623 2.936 1.00 0.12 C ATOM 532 C GLY A 371 -9.018 5.796 3.393 1.00 0.12 C ATOM 533 O GLY A 371 -8.501 6.871 3.713 1.00 0.14 O ATOM 0 H GLY A 371 -6.163 4.814 3.523 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.575 4.224 2.006 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.227 3.826 3.677 1.00 0.12 H new ATOM 537 N LYS A 372 -10.323 5.582 3.395 1.00 0.16 N ATOM 538 CA LYS A 372 -11.300 6.661 3.483 1.00 0.16 C ATOM 539 C LYS A 372 -11.391 7.252 4.898 1.00 0.18 C ATOM 540 O LYS A 372 -11.062 6.602 5.881 1.00 0.21 O ATOM 541 CB LYS A 372 -12.644 6.110 3.027 1.00 0.19 C ATOM 542 CG LYS A 372 -13.505 5.579 4.142 1.00 0.27 C ATOM 543 CD LYS A 372 -14.480 4.568 3.620 1.00 0.47 C ATOM 544 CE LYS A 372 -13.783 3.255 3.396 1.00 0.81 C ATOM 545 NZ LYS A 372 -14.722 2.167 3.029 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.739 4.653 3.336 1.00 0.16 H new ATOM 0 HA LYS A 372 -10.988 7.483 2.839 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.189 6.897 2.506 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.471 5.312 2.306 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.877 5.125 4.909 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.043 6.400 4.616 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -15.298 4.439 4.328 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.919 4.921 2.687 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -13.041 3.372 2.606 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -13.244 2.975 4.301 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -14.191 1.284 2.886 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -15.415 2.034 3.793 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.219 2.419 2.151 1.00 0.79 H new ATOM 559 N PRO A 373 -11.857 8.521 4.982 1.00 0.19 N ATOM 560 CA PRO A 373 -11.897 9.343 6.212 1.00 0.21 C ATOM 561 C PRO A 373 -12.618 8.697 7.354 1.00 0.24 C ATOM 562 O PRO A 373 -12.365 8.983 8.519 1.00 0.28 O ATOM 563 CB PRO A 373 -12.740 10.524 5.784 1.00 0.23 C ATOM 564 CG PRO A 373 -12.448 10.674 4.361 1.00 0.21 C ATOM 565 CD PRO A 373 -12.396 9.276 3.844 1.00 0.19 C ATOM 0 HA PRO A 373 -10.886 9.549 6.563 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.800 10.340 5.956 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.478 11.423 6.341 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.219 11.256 3.856 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.502 11.192 4.202 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.383 8.917 3.553 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.755 9.194 2.966 1.00 0.19 H new ATOM 573 N THR A 374 -13.587 7.904 6.982 1.00 0.25 N ATOM 574 CA THR A 374 -14.445 7.239 7.940 1.00 0.28 C ATOM 575 C THR A 374 -13.639 6.218 8.721 1.00 0.30 C ATOM 576 O THR A 374 -13.900 5.937 9.890 1.00 0.33 O ATOM 577 CB THR A 374 -15.608 6.522 7.236 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.135 5.357 6.562 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.250 7.442 6.229 1.00 0.29 C ATOM 0 H THR A 374 -13.808 7.697 6.008 1.00 0.25 H new ATOM 0 HA THR A 374 -14.853 7.994 8.612 1.00 0.28 H new ATOM 0 HB THR A 374 -16.340 6.234 7.990 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.461 4.557 7.024 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.073 6.924 5.736 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.631 8.328 6.737 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.511 7.740 5.485 1.00 0.29 H new ATOM 587 N THR A 375 -12.657 5.679 8.030 1.00 0.28 N ATOM 588 CA THR A 375 -11.766 4.674 8.568 1.00 0.31 C ATOM 589 C THR A 375 -10.361 4.913 8.061 1.00 0.29 C ATOM 590 O THR A 375 -9.805 4.188 7.232 1.00 0.29 O ATOM 591 CB THR A 375 -12.257 3.283 8.230 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.243 2.302 8.488 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.708 3.230 6.778 1.00 0.31 C ATOM 0 H THR A 375 -12.452 5.931 7.063 1.00 0.28 H new ATOM 0 HA THR A 375 -11.753 4.752 9.655 1.00 0.31 H new ATOM 0 HB THR A 375 -13.109 3.051 8.869 1.00 0.34 H new ATOM 0 HG1 THR A 375 -10.506 2.419 7.853 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.060 2.226 6.543 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.517 3.944 6.622 1.00 0.31 H new ATOM 0 HG23 THR A 375 -11.871 3.483 6.127 1.00 0.31 H new ATOM 601 N PRO A 376 -9.812 5.974 8.589 1.00 0.28 N ATOM 602 CA PRO A 376 -8.544 6.550 8.207 1.00 0.26 C ATOM 603 C PRO A 376 -7.397 5.596 8.336 1.00 0.26 C ATOM 604 O PRO A 376 -7.352 4.784 9.262 1.00 0.38 O ATOM 605 CB PRO A 376 -8.409 7.705 9.187 1.00 0.29 C ATOM 606 CG PRO A 376 -9.791 8.042 9.493 1.00 0.32 C ATOM 607 CD PRO A 376 -10.431 6.722 9.651 1.00 0.32 C ATOM 0 HA PRO A 376 -8.519 6.842 7.157 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -7.858 7.413 10.081 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -7.877 8.548 8.746 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -9.869 8.639 10.402 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.252 8.620 8.692 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.233 6.285 10.630 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.514 6.775 9.538 1.00 0.32 H new ATOM 615 N THR A 377 -6.476 5.685 7.412 1.00 0.17 N ATOM 616 CA THR A 377 -5.307 4.880 7.505 1.00 0.21 C ATOM 617 C THR A 377 -4.423 5.447 8.628 1.00 0.17 C ATOM 618 O THR A 377 -4.383 6.658 8.862 1.00 0.21 O ATOM 619 CB THR A 377 -4.573 4.783 6.143 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.311 3.411 5.828 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.267 5.545 6.139 1.00 0.22 C ATOM 0 H THR A 377 -6.519 6.301 6.600 1.00 0.17 H new ATOM 0 HA THR A 377 -5.574 3.853 7.756 1.00 0.21 H new ATOM 0 HB THR A 377 -5.227 5.230 5.394 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.065 3.042 5.322 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.791 5.446 5.163 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.460 6.598 6.344 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.607 5.141 6.907 1.00 0.22 H new ATOM 629 N PRO A 378 -3.744 4.559 9.362 1.00 0.14 N ATOM 630 CA PRO A 378 -3.096 4.865 10.642 1.00 0.15 C ATOM 631 C PRO A 378 -1.826 5.654 10.450 1.00 0.13 C ATOM 632 O PRO A 378 -1.572 6.637 11.144 1.00 0.16 O ATOM 633 CB PRO A 378 -2.754 3.459 11.175 1.00 0.17 C ATOM 634 CG PRO A 378 -3.573 2.538 10.347 1.00 0.19 C ATOM 635 CD PRO A 378 -3.511 3.169 9.008 1.00 0.17 C ATOM 0 HA PRO A 378 -3.723 5.466 11.301 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.690 3.244 11.074 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -2.999 3.365 12.233 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.164 1.528 10.339 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.597 2.464 10.714 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.546 3.020 8.523 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.271 2.780 8.330 1.00 0.17 H new ATOM 643 N ALA A 379 -1.061 5.207 9.477 1.00 0.11 N ATOM 644 CA ALA A 379 0.264 5.710 9.199 1.00 0.10 C ATOM 645 C ALA A 379 1.224 5.595 10.372 1.00 0.10 C ATOM 646 O ALA A 379 0.920 5.885 11.533 1.00 0.13 O ATOM 647 CB ALA A 379 0.234 7.110 8.640 1.00 0.11 C ATOM 0 H ALA A 379 -1.353 4.464 8.842 1.00 0.11 H new ATOM 0 HA ALA A 379 0.662 5.053 8.426 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.253 7.446 8.446 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.334 7.118 7.710 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.238 7.779 9.359 1.00 0.11 H new ATOM 653 N GLY A 380 2.398 5.171 10.002 1.00 0.10 N ATOM 654 CA GLY A 380 3.482 4.936 10.907 1.00 0.11 C ATOM 655 C GLY A 380 4.423 3.932 10.307 1.00 0.12 C ATOM 656 O GLY A 380 5.025 4.188 9.269 1.00 0.20 O ATOM 0 H GLY A 380 2.633 4.973 9.029 1.00 0.10 H new ATOM 0 HA2 GLY A 380 4.009 5.868 11.111 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.101 4.570 11.861 1.00 0.11 H new ATOM 660 N VAL A 381 4.520 2.776 10.931 1.00 0.12 N ATOM 661 CA VAL A 381 5.332 1.705 10.410 1.00 0.13 C ATOM 662 C VAL A 381 4.552 0.380 10.380 1.00 0.15 C ATOM 663 O VAL A 381 4.121 -0.146 11.412 1.00 0.25 O ATOM 664 CB VAL A 381 6.625 1.596 11.235 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.380 1.018 12.616 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.683 0.806 10.482 1.00 0.82 C ATOM 0 H VAL A 381 4.042 2.557 11.805 1.00 0.12 H new ATOM 0 HA VAL A 381 5.602 1.928 9.378 1.00 0.13 H new ATOM 0 HB VAL A 381 6.999 2.609 11.383 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.323 0.961 13.159 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.686 1.658 13.160 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.955 0.019 12.522 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.588 0.743 11.086 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.311 -0.198 10.279 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.909 1.306 9.540 1.00 0.82 H new ATOM 676 N PHE A 382 4.316 -0.118 9.181 1.00 0.09 N ATOM 677 CA PHE A 382 3.691 -1.412 8.985 1.00 0.09 C ATOM 678 C PHE A 382 4.753 -2.342 8.373 1.00 0.09 C ATOM 679 O PHE A 382 5.913 -1.947 8.277 1.00 0.10 O ATOM 680 CB PHE A 382 2.421 -1.313 8.121 1.00 0.10 C ATOM 681 CG PHE A 382 1.560 -0.098 8.397 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.316 0.327 9.696 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.004 0.636 7.350 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.540 1.443 9.946 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.235 1.747 7.601 1.00 0.15 C ATOM 686 CZ PHE A 382 0.001 2.152 8.896 1.00 0.18 C ATOM 0 H PHE A 382 4.553 0.364 8.314 1.00 0.09 H new ATOM 0 HA PHE A 382 3.349 -1.819 9.937 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.713 -1.304 7.071 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.821 -2.209 8.277 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.739 -0.223 10.524 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.180 0.328 6.330 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.357 1.758 10.963 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.188 2.305 6.779 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.605 3.025 9.088 1.00 0.18 H new ATOM 696 N TYR A 383 4.422 -3.565 7.980 1.00 0.11 N ATOM 697 CA TYR A 383 5.484 -4.490 7.564 1.00 0.11 C ATOM 698 C TYR A 383 5.109 -5.349 6.356 1.00 0.11 C ATOM 699 O TYR A 383 4.098 -6.047 6.368 1.00 0.13 O ATOM 700 CB TYR A 383 5.799 -5.398 8.742 1.00 0.13 C ATOM 701 CG TYR A 383 7.264 -5.707 8.892 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.164 -4.702 9.219 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.746 -6.993 8.719 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.505 -4.969 9.370 1.00 0.39 C ATOM 705 CE2 TYR A 383 9.087 -7.275 8.866 1.00 0.49 C ATOM 706 CZ TYR A 383 9.964 -6.256 9.196 1.00 0.50 C ATOM 707 OH TYR A 383 11.305 -6.525 9.345 1.00 0.65 O ATOM 0 H TYR A 383 3.472 -3.934 7.938 1.00 0.11 H new ATOM 0 HA TYR A 383 6.344 -3.892 7.261 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.440 -4.928 9.658 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.250 -6.332 8.627 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.805 -3.693 9.357 1.00 0.25 H new ATOM 0 HD2 TYR A 383 7.060 -7.788 8.465 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.193 -4.176 9.623 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.450 -8.282 8.725 1.00 0.49 H new ATOM 0 HH TYR A 383 11.660 -6.891 8.508 1.00 0.65 H new ATOM 717 N VAL A 384 5.938 -5.290 5.307 1.00 0.09 N ATOM 718 CA VAL A 384 5.817 -6.235 4.203 1.00 0.09 C ATOM 719 C VAL A 384 6.688 -7.435 4.467 1.00 0.13 C ATOM 720 O VAL A 384 7.873 -7.497 4.122 1.00 0.16 O ATOM 721 CB VAL A 384 6.143 -5.659 2.811 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.413 -4.856 2.838 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.240 -6.779 1.765 1.00 0.08 C ATOM 0 H VAL A 384 6.688 -4.606 5.204 1.00 0.09 H new ATOM 0 HA VAL A 384 4.762 -6.507 4.168 1.00 0.09 H new ATOM 0 HB VAL A 384 5.327 -4.993 2.530 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.616 -4.463 1.842 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.306 -4.029 3.540 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.240 -5.493 3.152 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.471 -6.348 0.791 1.00 0.08 H new ATOM 0 HG22 VAL A 384 7.029 -7.475 2.050 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.289 -7.310 1.711 1.00 0.08 H new ATOM 733 N TRP A 385 6.072 -8.392 5.074 1.00 0.18 N ATOM 734 CA TRP A 385 6.721 -9.640 5.362 1.00 0.23 C ATOM 735 C TRP A 385 6.432 -10.593 4.218 1.00 0.12 C ATOM 736 O TRP A 385 6.698 -11.792 4.285 1.00 0.21 O ATOM 737 CB TRP A 385 6.284 -10.187 6.722 1.00 0.48 C ATOM 738 CG TRP A 385 4.803 -10.381 6.844 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.845 -9.408 6.976 1.00 0.57 C ATOM 740 CD2 TRP A 385 4.107 -11.629 6.855 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.606 -9.983 7.058 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.738 -11.339 6.988 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.507 -12.962 6.759 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.770 -12.330 7.030 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.543 -13.949 6.802 1.00 2.11 C ATOM 746 CH2 TRP A 385 2.186 -13.629 6.936 1.00 2.55 C ATOM 0 H TRP A 385 5.103 -8.338 5.388 1.00 0.18 H new ATOM 0 HA TRP A 385 7.800 -9.504 5.438 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.782 -11.140 6.898 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.618 -9.504 7.503 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.040 -8.346 7.010 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.725 -9.479 7.156 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.551 -13.217 6.653 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.723 -12.085 7.133 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.840 -14.985 6.731 1.00 2.11 H new ATOM 0 HH2 TRP A 385 1.455 -14.423 6.966 1.00 2.55 H new ATOM 757 N ASN A 386 5.873 -10.009 3.157 1.00 0.10 N ATOM 758 CA ASN A 386 5.636 -10.706 1.905 1.00 0.14 C ATOM 759 C ASN A 386 5.226 -9.715 0.824 1.00 0.11 C ATOM 760 O ASN A 386 4.309 -8.928 0.998 1.00 0.12 O ATOM 761 CB ASN A 386 4.537 -11.748 2.099 1.00 0.27 C ATOM 762 CG ASN A 386 4.237 -12.528 0.834 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.850 -13.562 0.569 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.292 -12.046 0.052 1.00 0.31 N ATOM 0 H ASN A 386 5.573 -9.034 3.148 1.00 0.10 H new ATOM 0 HA ASN A 386 6.554 -11.204 1.595 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.835 -12.441 2.886 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.628 -11.252 2.439 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.045 -12.533 -0.809 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.808 -11.186 0.308 1.00 0.31 H new ATOM 771 N LYS A 387 5.945 -9.763 -0.275 1.00 0.11 N ATOM 772 CA LYS A 387 5.601 -9.047 -1.503 1.00 0.09 C ATOM 773 C LYS A 387 4.950 -10.013 -2.478 1.00 0.08 C ATOM 774 O LYS A 387 5.339 -11.177 -2.547 1.00 0.13 O ATOM 775 CB LYS A 387 6.856 -8.421 -2.138 1.00 0.13 C ATOM 776 CG LYS A 387 8.176 -8.881 -1.539 1.00 0.38 C ATOM 777 CD LYS A 387 8.403 -10.346 -1.800 1.00 0.20 C ATOM 778 CE LYS A 387 8.850 -10.600 -3.216 1.00 0.40 C ATOM 779 NZ LYS A 387 9.181 -12.026 -3.456 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.803 -10.309 -0.351 1.00 0.11 H new ATOM 0 HA LYS A 387 4.905 -8.243 -1.263 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.858 -8.650 -3.204 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.790 -7.337 -2.045 1.00 0.13 H new ATOM 0 HG2 LYS A 387 8.995 -8.301 -1.964 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.177 -8.694 -0.465 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.155 -10.726 -1.108 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.483 -10.897 -1.605 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.063 -10.292 -3.904 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.723 -9.985 -3.435 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 10.212 -12.135 -3.533 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 8.831 -12.602 -2.664 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.732 -12.343 -4.339 1.00 1.12 H new ATOM 793 N GLU A 388 3.975 -9.527 -3.233 1.00 0.09 N ATOM 794 CA GLU A 388 3.108 -10.404 -4.009 1.00 0.10 C ATOM 795 C GLU A 388 3.050 -10.096 -5.485 1.00 0.10 C ATOM 796 O GLU A 388 3.321 -8.986 -5.927 1.00 0.10 O ATOM 797 CB GLU A 388 1.708 -10.304 -3.460 1.00 0.09 C ATOM 798 CG GLU A 388 1.436 -11.263 -2.378 1.00 0.15 C ATOM 799 CD GLU A 388 1.613 -12.704 -2.804 1.00 0.38 C ATOM 800 OE1 GLU A 388 1.228 -13.046 -3.939 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.140 -13.504 -2.004 1.00 0.71 O1- ATOM 0 H GLU A 388 3.764 -8.533 -3.325 1.00 0.09 H new ATOM 0 HA GLU A 388 3.534 -11.403 -3.916 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.542 -9.292 -3.089 1.00 0.09 H new ATOM 0 HB3 GLU A 388 0.996 -10.468 -4.269 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.101 -11.054 -1.540 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.417 -11.119 -2.020 1.00 0.15 H new ATOM 808 N GLU A 389 2.655 -11.126 -6.211 1.00 0.10 N ATOM 809 CA GLU A 389 2.396 -11.081 -7.626 1.00 0.11 C ATOM 810 C GLU A 389 1.131 -11.850 -7.907 1.00 0.16 C ATOM 811 O GLU A 389 1.009 -13.016 -7.515 1.00 0.28 O ATOM 812 CB GLU A 389 3.523 -11.700 -8.420 1.00 0.14 C ATOM 813 CG GLU A 389 4.739 -10.829 -8.522 1.00 0.16 C ATOM 814 CD GLU A 389 5.885 -11.523 -9.230 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.201 -12.676 -8.865 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.473 -10.927 -10.155 1.00 0.38 O ATOM 0 H GLU A 389 2.502 -12.051 -5.808 1.00 0.10 H new ATOM 0 HA GLU A 389 2.301 -10.037 -7.924 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.803 -12.647 -7.958 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.165 -11.928 -9.424 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.484 -9.914 -9.058 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.057 -10.535 -7.522 1.00 0.16 H new ATOM 823 N ASP A 390 0.213 -11.199 -8.589 1.00 0.12 N ATOM 824 CA ASP A 390 -1.085 -11.778 -8.891 1.00 0.15 C ATOM 825 C ASP A 390 -1.743 -12.244 -7.592 1.00 0.16 C ATOM 826 O ASP A 390 -2.229 -13.366 -7.450 1.00 0.25 O ATOM 827 CB ASP A 390 -0.891 -12.899 -9.898 1.00 0.19 C ATOM 828 CG ASP A 390 -2.190 -13.554 -10.335 1.00 0.28 C ATOM 829 OD1 ASP A 390 -2.990 -12.887 -11.025 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.404 -14.748 -10.020 1.00 0.36 O1- ATOM 0 H ASP A 390 0.342 -10.254 -8.951 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.756 -11.046 -9.340 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.380 -12.503 -10.776 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.239 -13.657 -9.464 1.00 0.19 H new ATOM 835 N ALA A 391 -1.689 -11.334 -6.631 1.00 0.12 N ATOM 836 CA ALA A 391 -2.294 -11.491 -5.328 1.00 0.11 C ATOM 837 C ALA A 391 -3.762 -11.180 -5.432 1.00 0.10 C ATOM 838 O ALA A 391 -4.207 -10.635 -6.424 1.00 0.11 O ATOM 839 CB ALA A 391 -1.662 -10.507 -4.378 1.00 0.10 C ATOM 0 H ALA A 391 -1.208 -10.442 -6.745 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.149 -12.510 -4.970 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.110 -10.615 -3.390 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.591 -10.700 -4.314 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.827 -9.493 -4.742 1.00 0.10 H new ATOM 845 N THR A 392 -4.523 -11.526 -4.438 1.00 0.11 N ATOM 846 CA THR A 392 -5.893 -11.082 -4.407 1.00 0.11 C ATOM 847 C THR A 392 -6.258 -10.513 -3.060 1.00 0.11 C ATOM 848 O THR A 392 -6.197 -11.182 -2.028 1.00 0.14 O ATOM 849 CB THR A 392 -6.891 -12.176 -4.810 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.474 -12.800 -6.032 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.272 -11.572 -4.998 1.00 0.15 C ATOM 0 H THR A 392 -4.231 -12.103 -3.649 1.00 0.11 H new ATOM 0 HA THR A 392 -5.965 -10.292 -5.155 1.00 0.11 H new ATOM 0 HB THR A 392 -6.926 -12.925 -4.019 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.117 -13.497 -6.279 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.975 -12.354 -5.284 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.599 -11.114 -4.065 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.234 -10.814 -5.781 1.00 0.15 H new ATOM 859 N LEU A 393 -6.628 -9.263 -3.101 1.00 0.10 N ATOM 860 CA LEU A 393 -7.025 -8.520 -1.922 1.00 0.12 C ATOM 861 C LEU A 393 -8.437 -8.824 -1.520 1.00 0.15 C ATOM 862 O LEU A 393 -9.388 -8.179 -1.950 1.00 0.16 O ATOM 863 CB LEU A 393 -6.877 -7.055 -2.212 1.00 0.11 C ATOM 864 CG LEU A 393 -5.492 -6.461 -2.041 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.452 -7.420 -2.542 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.403 -5.191 -2.836 1.00 0.51 C ATOM 0 H LEU A 393 -6.665 -8.718 -3.963 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.384 -8.813 -1.090 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.198 -6.878 -3.238 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.563 -6.509 -1.564 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.318 -6.261 -0.984 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.462 -6.983 -2.414 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.513 -8.351 -1.978 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.624 -7.624 -3.599 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.410 -4.757 -2.719 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.582 -5.408 -3.889 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.152 -4.485 -2.478 1.00 0.51 H new ATOM 878 N LYS A 394 -8.544 -9.820 -0.714 1.00 0.18 N ATOM 879 CA LYS A 394 -9.803 -10.255 -0.178 1.00 0.23 C ATOM 880 C LYS A 394 -10.036 -9.804 1.231 1.00 0.29 C ATOM 881 O LYS A 394 -9.191 -9.146 1.847 1.00 0.29 O ATOM 882 CB LYS A 394 -9.777 -11.720 -0.238 1.00 0.25 C ATOM 883 CG LYS A 394 -9.679 -12.152 -1.625 1.00 0.23 C ATOM 884 CD LYS A 394 -10.154 -13.505 -1.730 1.00 0.27 C ATOM 885 CE LYS A 394 -9.456 -14.080 -2.885 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.750 -15.519 -3.114 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.748 -10.373 -0.397 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.617 -9.820 -0.758 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.931 -12.102 0.333 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.679 -12.128 0.217 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.268 -11.496 -2.266 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.646 -12.088 -1.967 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.938 -14.068 -0.822 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.234 -13.531 -1.872 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.728 -13.517 -3.778 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.382 -13.957 -2.746 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.222 -15.853 -3.945 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.465 -16.069 -2.278 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.769 -15.643 -3.279 1.00 0.33 H new ATOM 1015 N GLU A 404 -13.083 -9.100 -3.105 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.804 -9.474 -3.651 1.00 0.21 C ATOM 1017 C GLU A 404 -11.283 -8.368 -4.533 1.00 0.20 C ATOM 1018 O GLU A 404 -12.053 -7.622 -5.138 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.918 -10.742 -4.478 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.093 -11.990 -3.645 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.357 -12.750 -3.964 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.376 -13.482 -4.974 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.345 -12.599 -3.218 1.00 0.53 O ATOM 0 HA GLU A 404 -11.120 -9.649 -2.820 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.764 -10.648 -5.159 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.024 -10.847 -5.093 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.235 -12.645 -3.800 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.099 -11.716 -2.590 1.00 0.24 H new ATOM 1030 N SER A 405 -9.978 -8.237 -4.571 1.00 0.16 N ATOM 1031 CA SER A 405 -9.347 -7.362 -5.511 1.00 0.15 C ATOM 1032 C SER A 405 -8.076 -8.005 -5.955 1.00 0.13 C ATOM 1033 O SER A 405 -7.052 -7.908 -5.284 1.00 0.11 O ATOM 1034 CB SER A 405 -9.008 -6.027 -4.878 1.00 0.15 C ATOM 1035 OG SER A 405 -9.804 -5.776 -3.728 1.00 0.19 O ATOM 0 H SER A 405 -9.335 -8.732 -3.954 1.00 0.16 H new ATOM 0 HA SER A 405 -10.028 -7.188 -6.344 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.954 -6.012 -4.602 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.158 -5.230 -5.606 1.00 0.15 H new ATOM 0 HG SER A 405 -9.559 -4.908 -3.344 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.120 -8.676 -7.085 1.00 0.15 N ATOM 1042 CA PRO A 406 -6.973 -9.358 -7.602 1.00 0.14 C ATOM 1043 C PRO A 406 -5.955 -8.361 -8.056 1.00 0.13 C ATOM 1044 O PRO A 406 -6.128 -7.644 -9.040 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.526 -10.216 -8.736 1.00 0.18 C ATOM 1046 CG PRO A 406 -8.993 -10.197 -8.513 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.279 -8.856 -7.936 1.00 0.18 C ATOM 0 HA PRO A 406 -6.457 -9.979 -6.870 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.265 -9.806 -9.712 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.129 -11.231 -8.700 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.536 -10.349 -9.446 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.299 -10.992 -7.833 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.354 -8.084 -8.702 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.212 -8.838 -7.373 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.900 -8.339 -7.305 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.911 -7.333 -7.382 1.00 0.09 C ATOM 1057 C VAL A 407 -2.669 -7.973 -7.966 1.00 0.11 C ATOM 1058 O VAL A 407 -2.466 -9.169 -7.844 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.714 -6.806 -5.947 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.466 -7.274 -5.290 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.901 -5.321 -5.826 1.00 0.08 C ATOM 0 H VAL A 407 -4.705 -9.049 -6.600 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.175 -6.490 -8.020 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.526 -7.265 -5.383 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.406 -6.857 -4.285 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.472 -8.362 -5.232 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.604 -6.946 -5.871 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.748 -5.018 -4.790 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.180 -4.810 -6.464 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.912 -5.055 -6.136 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.871 -7.204 -8.637 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.733 -7.752 -9.335 1.00 0.12 C ATOM 1073 C ASN A 408 0.417 -7.859 -8.382 1.00 0.10 C ATOM 1074 O ASN A 408 1.344 -8.629 -8.601 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.388 -6.853 -10.501 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.481 -6.858 -11.533 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.429 -7.593 -12.520 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.500 -6.060 -11.288 1.00 0.38 N ATOM 0 H ASN A 408 -1.980 -6.193 -8.721 1.00 0.11 H new ATOM 0 HA ASN A 408 -0.962 -8.746 -9.719 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.226 -5.836 -10.144 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.546 -7.184 -10.955 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.292 -6.033 -11.930 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.497 -5.469 -10.456 1.00 0.38 H new ATOM 1085 N TYR A 409 0.325 -7.094 -7.307 1.00 0.08 N ATOM 1086 CA TYR A 409 1.426 -6.919 -6.378 1.00 0.06 C ATOM 1087 C TYR A 409 0.870 -6.466 -5.047 1.00 0.06 C ATOM 1088 O TYR A 409 0.166 -5.460 -4.967 1.00 0.06 O ATOM 1089 CB TYR A 409 2.473 -5.915 -6.894 1.00 0.06 C ATOM 1090 CG TYR A 409 3.057 -6.287 -8.238 1.00 0.08 C ATOM 1091 CD1 TYR A 409 4.171 -7.109 -8.346 1.00 0.11 C ATOM 1092 CD2 TYR A 409 2.454 -5.846 -9.405 1.00 0.13 C ATOM 1093 CE1 TYR A 409 4.665 -7.477 -9.586 1.00 0.17 C ATOM 1094 CE2 TYR A 409 2.938 -6.207 -10.642 1.00 0.18 C ATOM 1095 CZ TYR A 409 4.041 -7.024 -10.730 1.00 0.17 C ATOM 1096 OH TYR A 409 4.527 -7.383 -11.968 1.00 0.27 O ATOM 0 H TYR A 409 -0.517 -6.577 -7.055 1.00 0.08 H new ATOM 0 HA TYR A 409 1.939 -7.874 -6.269 1.00 0.06 H new ATOM 0 HB2 TYR A 409 2.014 -4.929 -6.967 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.280 -5.838 -6.165 1.00 0.06 H new ATOM 0 HD1 TYR A 409 4.659 -7.466 -7.451 1.00 0.11 H new ATOM 0 HD2 TYR A 409 1.586 -5.206 -9.343 1.00 0.13 H new ATOM 0 HE1 TYR A 409 5.534 -8.115 -9.657 1.00 0.17 H new ATOM 0 HE2 TYR A 409 2.454 -5.850 -11.539 1.00 0.18 H new ATOM 0 HH TYR A 409 3.971 -6.980 -12.667 1.00 0.27 H new ATOM 1106 N TRP A 410 1.219 -7.188 -4.009 1.00 0.06 N ATOM 1107 CA TRP A 410 0.567 -7.056 -2.723 1.00 0.06 C ATOM 1108 C TRP A 410 1.546 -7.244 -1.598 1.00 0.06 C ATOM 1109 O TRP A 410 2.371 -8.146 -1.607 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.528 -8.105 -2.666 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.179 -8.306 -1.356 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.332 -9.481 -0.748 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.777 -7.325 -0.527 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.026 -9.316 0.431 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.309 -7.973 0.590 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.906 -5.967 -0.642 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.983 -7.266 1.604 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.556 -5.259 0.334 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.097 -5.903 1.455 1.00 0.07 C ATOM 0 H TRP A 410 1.963 -7.885 -4.030 1.00 0.06 H new ATOM 0 HA TRP A 410 0.148 -6.056 -2.610 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.296 -7.836 -3.391 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.106 -9.057 -2.987 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.966 -10.425 -1.124 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.287 -10.060 1.078 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.496 -5.455 -1.500 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.394 -7.773 2.464 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.653 -4.188 0.238 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.608 -5.324 2.209 1.00 0.07 H new ATOM 1130 N MET A 411 1.485 -6.356 -0.652 1.00 0.08 N ATOM 1131 CA MET A 411 2.255 -6.504 0.544 1.00 0.09 C ATOM 1132 C MET A 411 1.288 -6.688 1.699 1.00 0.12 C ATOM 1133 O MET A 411 0.773 -5.699 2.228 1.00 0.14 O ATOM 1134 CB MET A 411 3.128 -5.277 0.769 1.00 0.10 C ATOM 1135 CG MET A 411 3.839 -4.759 -0.474 1.00 0.09 C ATOM 1136 SD MET A 411 4.987 -5.944 -1.181 1.00 0.06 S ATOM 1137 CE MET A 411 5.885 -4.915 -2.336 1.00 0.06 C ATOM 0 H MET A 411 0.906 -5.517 -0.687 1.00 0.08 H new ATOM 0 HA MET A 411 2.915 -7.368 0.464 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.508 -4.478 1.175 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.876 -5.515 1.525 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.095 -4.492 -1.225 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.379 -3.847 -0.221 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.605 -5.182 -3.355 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.642 -3.868 -2.156 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.956 -5.067 -2.202 1.00 0.06 H new ATOM 1147 N PRO A 412 0.970 -7.945 2.067 1.00 0.13 N ATOM 1148 CA PRO A 412 0.037 -8.231 3.152 1.00 0.19 C ATOM 1149 C PRO A 412 0.586 -7.820 4.505 1.00 0.25 C ATOM 1150 O PRO A 412 0.943 -8.660 5.329 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.171 -9.743 3.090 1.00 0.24 C ATOM 1152 CG PRO A 412 1.042 -10.261 2.398 1.00 0.23 C ATOM 1153 CD PRO A 412 1.475 -9.179 1.446 1.00 0.16 C ATOM 0 HA PRO A 412 -0.891 -7.670 3.036 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.271 -10.171 4.088 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.079 -9.996 2.542 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.832 -10.489 3.114 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.821 -11.185 1.863 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.559 -9.156 1.333 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.054 -9.328 0.452 1.00 0.16 H new ATOM 1237 N VAL A 418 -4.107 -2.145 7.350 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.612 -1.622 6.082 1.00 0.26 C ATOM 1239 C VAL A 418 -2.959 -2.713 5.226 1.00 0.24 C ATOM 1240 O VAL A 418 -2.785 -3.851 5.661 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.572 -0.515 6.371 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.079 0.190 5.104 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.150 0.493 7.335 1.00 0.75 C ATOM 0 HA VAL A 418 -4.461 -1.226 5.525 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.704 -1.002 6.815 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.352 0.956 5.373 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.611 -0.538 4.441 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.923 0.655 4.594 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.412 1.270 7.534 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -4.042 0.943 6.900 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.413 -0.005 8.268 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.619 -2.349 4.001 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.811 -3.178 3.152 1.00 0.18 C ATOM 1255 C GLY A 419 -1.535 -2.470 1.864 1.00 0.14 C ATOM 1256 O GLY A 419 -2.453 -2.080 1.155 1.00 0.15 O ATOM 0 H GLY A 419 -2.901 -1.466 3.575 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.873 -3.421 3.652 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.322 -4.121 2.957 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.277 -2.283 1.571 1.00 0.10 N ATOM 1261 CA ILE A 420 0.106 -1.582 0.376 1.00 0.08 C ATOM 1262 C ILE A 420 0.070 -2.525 -0.818 1.00 0.08 C ATOM 1263 O ILE A 420 0.412 -3.705 -0.699 1.00 0.09 O ATOM 1264 CB ILE A 420 1.526 -1.003 0.504 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.550 0.276 1.347 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.111 -0.746 -0.866 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.659 0.038 2.834 1.00 0.29 C ATOM 0 H ILE A 420 0.502 -2.607 2.145 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.601 -0.765 0.231 1.00 0.08 H new ATOM 0 HB ILE A 420 2.138 -1.742 1.021 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.390 0.892 1.027 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.642 0.846 1.148 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.116 -0.336 -0.762 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.157 -1.682 -1.424 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.483 -0.034 -1.402 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.669 0.995 3.356 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.806 -0.550 3.172 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.581 -0.503 3.049 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.346 -2.003 -1.963 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.541 -2.836 -3.133 1.00 0.06 C ATOM 1281 C HIS A 421 -0.543 -2.015 -4.405 1.00 0.07 C ATOM 1282 O HIS A 421 -0.742 -0.804 -4.370 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.871 -3.545 -3.003 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.051 -2.648 -2.963 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.574 -2.001 -4.051 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.808 -2.302 -1.910 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.616 -1.287 -3.631 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.806 -1.435 -2.332 1.00 0.08 N ATOM 0 H HIS A 421 -0.553 -1.014 -2.103 1.00 0.07 H new ATOM 0 HA HIS A 421 0.281 -3.550 -3.191 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.983 -4.233 -3.841 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.859 -4.147 -2.095 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.228 -2.056 -5.009 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.663 -2.644 -0.896 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.227 -0.667 -4.270 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.340 -2.686 -5.528 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.499 -2.058 -6.819 1.00 0.07 C ATOM 1298 C ASP A 422 -1.980 -2.099 -7.172 1.00 0.11 C ATOM 1299 O ASP A 422 -2.679 -3.018 -6.788 1.00 0.20 O ATOM 1300 CB ASP A 422 0.333 -2.788 -7.874 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.461 -3.832 -8.650 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.925 -4.812 -8.036 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.636 -3.662 -9.875 1.00 0.80 O ATOM 0 H ASP A 422 -0.064 -3.667 -5.566 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.149 -1.026 -6.788 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.742 -2.059 -8.573 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.180 -3.273 -7.388 1.00 0.09 H new ATOM 1308 N SER A 423 -2.470 -1.093 -7.846 1.00 0.09 N ATOM 1309 CA SER A 423 -3.898 -0.967 -8.057 1.00 0.11 C ATOM 1310 C SER A 423 -4.182 -0.636 -9.490 1.00 0.14 C ATOM 1311 O SER A 423 -4.134 0.514 -9.912 1.00 0.17 O ATOM 1312 CB SER A 423 -4.491 0.108 -7.139 1.00 0.14 C ATOM 1313 OG SER A 423 -5.844 0.355 -7.456 1.00 0.23 O ATOM 0 H SER A 423 -1.909 -0.348 -8.259 1.00 0.09 H new ATOM 0 HA SER A 423 -4.365 -1.921 -7.815 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.410 -0.211 -6.100 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.917 1.030 -7.235 1.00 0.14 H new ATOM 0 HG SER A 423 -6.200 1.043 -6.856 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.518 -1.673 -10.221 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.768 -1.565 -11.634 1.00 0.21 C ATOM 1321 C ASP A 424 -6.178 -1.032 -11.865 1.00 0.24 C ATOM 1322 O ASP A 424 -6.557 -0.656 -12.972 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.567 -2.934 -12.268 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.957 -2.996 -13.730 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -4.362 -2.249 -14.534 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.882 -3.757 -14.076 1.00 0.37 O ATOM 0 H ASP A 424 -4.625 -2.617 -9.849 1.00 0.16 H new ATOM 0 HA ASP A 424 -4.074 -0.864 -12.098 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.520 -3.219 -12.169 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -5.151 -3.669 -11.715 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.927 6.849 -10.882 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.321 8.047 -10.395 1.00 0.22 C ATOM 1388 C GLU A 428 -5.396 7.782 -9.235 1.00 0.21 C ATOM 1389 O GLU A 428 -5.507 6.781 -8.523 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.374 9.006 -9.905 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.424 8.361 -9.082 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.569 7.824 -9.909 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.817 8.361 -11.009 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -10.237 6.887 -9.456 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.757 8.465 -11.229 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -6.895 9.791 -9.319 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -7.842 9.489 -10.763 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.981 7.546 -8.510 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.809 9.083 -8.362 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.496 8.721 -9.071 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.597 8.798 -7.951 1.00 0.14 C ATOM 1403 C TYR A 429 -3.125 10.213 -7.933 1.00 0.17 C ATOM 1404 O TYR A 429 -2.711 10.751 -8.962 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.353 7.912 -7.999 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.542 6.545 -8.589 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.751 6.387 -9.950 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.493 5.419 -7.792 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.912 5.141 -10.503 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.656 4.162 -8.335 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.866 4.032 -9.694 1.00 0.25 C ATOM 1412 OH TYR A 429 -3.018 2.791 -10.251 1.00 0.33 O ATOM 0 H TYR A 429 -4.367 9.480 -9.740 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.150 8.453 -7.077 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.584 8.430 -8.572 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.972 7.799 -6.984 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.788 7.259 -10.586 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.325 5.524 -6.730 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.074 5.034 -11.565 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.620 3.287 -7.703 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.577 2.237 -9.667 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.212 10.820 -6.805 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.850 12.205 -6.714 1.00 0.17 C ATOM 1424 C GLY A 430 -3.293 12.781 -5.422 1.00 0.17 C ATOM 1425 O GLY A 430 -3.423 12.047 -4.444 1.00 0.16 O ATOM 0 H GLY A 430 -3.527 10.393 -5.934 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.770 12.310 -6.813 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.301 12.758 -7.538 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.449 14.096 -5.390 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.136 14.718 -4.285 1.00 0.21 C ATOM 1431 C GLY A 431 -5.394 13.978 -3.933 1.00 0.19 C ATOM 1432 O GLY A 431 -5.855 13.104 -4.671 1.00 0.18 O ATOM 0 H GLY A 431 -3.113 14.738 -6.107 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.477 14.751 -3.417 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.379 15.750 -4.540 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.999 14.411 -2.870 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.843 13.555 -2.080 1.00 0.21 C ATOM 1438 C ASP A 432 -7.922 12.836 -2.886 1.00 0.18 C ATOM 1439 O ASP A 432 -8.949 13.382 -3.272 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.459 14.406 -0.985 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.338 15.538 -1.498 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.788 16.597 -1.869 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.577 15.390 -1.507 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.925 15.367 -2.522 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.229 12.756 -1.665 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.053 13.766 -0.333 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.660 14.828 -0.375 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.615 11.565 -3.134 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.550 10.609 -3.686 1.00 0.13 C ATOM 1450 C LEU A 433 -9.185 9.814 -2.564 1.00 0.12 C ATOM 1451 O LEU A 433 -10.344 9.472 -2.607 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.848 9.623 -4.632 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.681 9.997 -6.076 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.131 11.385 -6.368 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.277 9.779 -6.480 1.00 1.08 C ATOM 0 H LEU A 433 -6.692 11.172 -2.951 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.303 11.166 -4.244 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.856 9.426 -4.226 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.399 8.683 -4.597 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.328 9.351 -6.669 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -7.986 11.599 -7.427 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.187 11.485 -6.119 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.549 12.089 -5.773 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.154 10.050 -7.529 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.622 10.397 -5.866 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -6.018 8.729 -6.344 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.384 9.521 -1.555 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.766 8.604 -0.483 1.00 0.10 C ATOM 1469 C TRP A 434 -10.074 9.002 0.181 1.00 0.11 C ATOM 1470 O TRP A 434 -10.787 8.164 0.721 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.631 8.533 0.540 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.333 9.844 1.164 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.469 10.794 0.715 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -7.920 10.351 2.353 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.534 11.897 1.534 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.406 11.636 2.553 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.848 9.846 3.259 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.794 12.421 3.624 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.226 10.625 4.318 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.705 11.905 4.492 1.00 0.16 C ATOM 0 H TRP A 434 -7.447 9.910 -1.451 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.933 7.619 -0.918 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.895 7.817 1.319 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.732 8.156 0.052 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.831 10.697 -0.151 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.017 12.766 1.402 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.262 8.857 3.128 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.387 13.411 3.766 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -9.940 10.241 5.031 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.031 12.499 5.333 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.380 10.286 0.139 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.565 10.800 0.780 1.00 0.14 C ATOM 1493 C LYS A 435 -12.764 10.811 -0.142 1.00 0.17 C ATOM 1494 O LYS A 435 -13.899 10.619 0.286 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.283 12.202 1.273 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.942 12.693 0.815 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.592 14.016 1.408 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.180 14.182 2.782 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.775 15.449 3.440 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.817 10.991 -0.337 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.811 10.140 1.612 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.060 12.877 0.914 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.324 12.220 2.362 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.179 11.963 1.084 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.938 12.772 -0.272 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.508 14.116 1.462 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.954 14.813 0.759 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.267 14.148 2.712 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.874 13.342 3.405 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.211 15.506 4.382 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.740 15.475 3.536 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.090 16.256 2.864 1.00 0.22 H new ATOM 1513 N THR A 436 -12.497 11.075 -1.392 1.00 0.16 N ATOM 1514 CA THR A 436 -13.544 11.194 -2.392 1.00 0.19 C ATOM 1515 C THR A 436 -13.803 9.853 -3.071 1.00 0.19 C ATOM 1516 O THR A 436 -14.947 9.430 -3.258 1.00 0.22 O ATOM 1517 CB THR A 436 -13.129 12.254 -3.431 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.297 11.679 -4.444 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.344 13.336 -2.733 1.00 0.21 C ATOM 0 H THR A 436 -11.554 11.215 -1.754 1.00 0.16 H new ATOM 0 HA THR A 436 -14.469 11.502 -1.906 1.00 0.19 H new ATOM 0 HB THR A 436 -14.029 12.656 -3.895 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.047 12.369 -5.093 1.00 0.25 H new ATOM 0 HG21 THR A 436 -12.044 14.093 -3.458 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.964 13.796 -1.963 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.456 12.902 -2.273 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.718 9.183 -3.399 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.760 7.899 -4.069 1.00 0.20 C ATOM 1529 C ARG A 437 -12.797 6.793 -3.026 1.00 0.20 C ATOM 1530 O ARG A 437 -13.192 5.667 -3.320 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.512 7.794 -4.949 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.056 9.125 -5.406 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.487 9.081 -6.782 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.530 9.117 -7.800 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.710 10.119 -8.665 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.936 11.200 -8.620 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.675 10.042 -9.573 1.00 1.47 N ATOM 0 H ARG A 437 -11.774 9.517 -3.207 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.650 7.801 -4.691 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.713 7.306 -4.391 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.727 7.166 -5.813 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.894 9.822 -5.383 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.304 9.507 -4.715 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.812 9.925 -6.923 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.894 8.174 -6.901 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.166 8.322 -7.856 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.197 11.269 -7.920 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -11.082 11.960 -9.285 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.277 9.219 -9.609 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.815 10.806 -10.235 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.389 7.142 -1.805 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.719 6.354 -0.633 1.00 0.18 C ATOM 1553 C GLY A 438 -12.411 4.873 -0.750 1.00 0.21 C ATOM 1554 O GLY A 438 -13.267 4.046 -0.426 1.00 0.24 O ATOM 0 H GLY A 438 -11.827 7.970 -1.609 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.176 6.757 0.222 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.781 6.473 -0.421 1.00 0.18 H new ATOM 1558 N SER A 439 -11.228 4.507 -1.211 1.00 0.22 N ATOM 1559 CA SER A 439 -10.975 3.103 -1.473 1.00 0.27 C ATOM 1560 C SER A 439 -10.534 2.366 -0.210 1.00 0.27 C ATOM 1561 O SER A 439 -9.425 2.565 0.286 1.00 0.27 O ATOM 1562 CB SER A 439 -9.926 2.955 -2.574 1.00 0.31 C ATOM 1563 OG SER A 439 -8.839 3.839 -2.352 1.00 1.01 O ATOM 0 H SER A 439 -10.451 5.139 -1.406 1.00 0.22 H new ATOM 0 HA SER A 439 -11.908 2.650 -1.807 1.00 0.27 H new ATOM 0 HB2 SER A 439 -9.565 1.927 -2.604 1.00 0.31 H new ATOM 0 HB3 SER A 439 -10.378 3.162 -3.544 1.00 0.31 H new ATOM 0 HG SER A 439 -8.573 3.801 -1.409 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.425 1.486 0.264 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.214 0.655 1.455 1.00 0.32 C ATOM 1571 C HIS A 440 -10.451 1.387 2.572 1.00 0.28 C ATOM 1572 O HIS A 440 -10.804 2.511 2.938 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.505 -0.652 1.086 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.318 -1.601 0.258 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.615 -1.947 0.564 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -11.004 -2.292 -0.867 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -13.062 -2.805 -0.331 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.108 -3.030 -1.211 1.00 0.48 N ATOM 0 H HIS A 440 -12.330 1.329 -0.179 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.203 0.426 1.851 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.591 -0.411 0.543 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.207 -1.158 2.004 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.061 -2.266 -1.393 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -14.046 -3.249 -0.341 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.179 -3.652 -2.017 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.416 0.742 3.111 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.663 1.319 4.209 1.00 0.22 C ATOM 1589 C GLY A 441 -7.179 1.499 3.918 1.00 0.17 C ATOM 1590 O GLY A 441 -6.509 2.286 4.594 1.00 0.26 O ATOM 0 H GLY A 441 -9.087 -0.173 2.803 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -9.093 2.288 4.461 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.776 0.683 5.087 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.647 0.778 2.931 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.216 0.801 2.689 1.00 0.15 C ATOM 1596 C CYS A 442 -4.823 1.736 1.554 1.00 0.13 C ATOM 1597 O CYS A 442 -5.585 2.609 1.154 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.684 -0.601 2.400 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.353 -1.352 0.903 1.00 0.35 S ATOM 0 H CYS A 442 -7.181 0.182 2.298 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.764 1.182 3.605 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.598 -0.555 2.316 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.911 -1.246 3.249 1.00 0.24 H new ATOM 0 HG CYS A 442 -4.840 -2.536 0.745 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.578 1.593 1.111 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.991 2.489 0.126 1.00 0.07 C ATOM 1606 C ILE A 443 -3.095 1.902 -1.269 1.00 0.08 C ATOM 1607 O ILE A 443 -2.721 0.753 -1.498 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.504 2.779 0.446 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.344 3.698 1.668 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.799 3.399 -0.762 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.728 3.081 2.999 1.00 0.11 C ATOM 0 H ILE A 443 -2.950 0.853 1.425 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.551 3.423 0.167 1.00 0.07 H new ATOM 0 HB ILE A 443 -1.040 1.822 0.682 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.305 4.023 1.724 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.950 4.591 1.512 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.244 3.594 -0.514 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.849 2.710 -1.605 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.290 4.335 -1.029 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.579 3.811 3.795 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.776 2.782 2.973 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.106 2.206 3.187 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.592 2.702 -2.198 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.756 2.258 -3.574 1.00 0.08 C ATOM 1625 C ASN A 444 -2.629 2.792 -4.441 1.00 0.07 C ATOM 1626 O ASN A 444 -2.677 3.923 -4.920 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.110 2.688 -4.135 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.251 1.759 -3.745 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.211 1.591 -4.500 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.154 1.129 -2.582 1.00 0.15 N ATOM 0 H ASN A 444 -3.889 3.662 -2.025 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.719 1.169 -3.583 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.336 3.695 -3.785 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.046 2.735 -5.222 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.887 0.483 -2.289 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.346 1.290 -1.980 1.00 0.15 H new ATOM 1637 N THR A 445 -1.610 1.975 -4.599 1.00 0.08 N ATOM 1638 CA THR A 445 -0.432 2.309 -5.353 1.00 0.08 C ATOM 1639 C THR A 445 -0.540 1.897 -6.814 1.00 0.08 C ATOM 1640 O THR A 445 -1.118 0.883 -7.138 1.00 0.10 O ATOM 1641 CB THR A 445 0.746 1.606 -4.694 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.655 1.721 -3.267 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.025 2.206 -5.146 1.00 0.06 C ATOM 0 H THR A 445 -1.582 1.039 -4.195 1.00 0.08 H new ATOM 0 HA THR A 445 -0.302 3.391 -5.350 1.00 0.08 H new ATOM 0 HB THR A 445 0.718 0.554 -4.980 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.539 1.927 -2.898 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.858 1.692 -4.666 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.112 2.105 -6.228 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.047 3.262 -4.877 1.00 0.06 H new ATOM 1651 N PRO A 446 -0.002 2.732 -7.710 1.00 0.08 N ATOM 1652 CA PRO A 446 0.063 2.457 -9.150 1.00 0.10 C ATOM 1653 C PRO A 446 0.621 1.096 -9.471 1.00 0.14 C ATOM 1654 O PRO A 446 1.542 0.603 -8.813 1.00 0.24 O ATOM 1655 CB PRO A 446 0.997 3.550 -9.661 1.00 0.10 C ATOM 1656 CG PRO A 446 0.805 4.672 -8.717 1.00 0.08 C ATOM 1657 CD PRO A 446 0.562 4.046 -7.383 1.00 0.07 C ATOM 0 HA PRO A 446 -0.927 2.457 -9.607 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.034 3.213 -9.672 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.746 3.842 -10.681 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.684 5.316 -8.692 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.038 5.294 -9.016 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.485 3.954 -6.810 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.128 4.639 -6.783 1.00 0.07 H new ATOM 1665 N PRO A 447 0.072 0.478 -10.513 1.00 0.12 N ATOM 1666 CA PRO A 447 0.423 -0.872 -10.899 1.00 0.12 C ATOM 1667 C PRO A 447 1.876 -0.978 -11.357 1.00 0.14 C ATOM 1668 O PRO A 447 2.520 -2.014 -11.201 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.526 -1.166 -12.052 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.618 -0.193 -11.889 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.943 1.037 -11.416 1.00 0.13 C ATOM 0 HA PRO A 447 0.334 -1.574 -10.070 1.00 0.12 H new ATOM 0 HB2 PRO A 447 -0.029 -1.047 -13.015 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.897 -2.190 -12.009 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.143 -0.023 -12.829 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.358 -0.543 -11.169 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.498 1.603 -12.235 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.628 1.709 -10.899 1.00 0.13 H new ATOM 1679 N SER A 448 2.395 0.119 -11.878 1.00 0.12 N ATOM 1680 CA SER A 448 3.742 0.152 -12.416 1.00 0.11 C ATOM 1681 C SER A 448 4.808 0.181 -11.317 1.00 0.09 C ATOM 1682 O SER A 448 5.966 -0.138 -11.542 1.00 0.09 O ATOM 1683 CB SER A 448 3.888 1.380 -13.305 1.00 0.14 C ATOM 1684 OG SER A 448 2.903 1.384 -14.323 1.00 1.10 O ATOM 0 H SER A 448 1.898 1.007 -11.940 1.00 0.12 H new ATOM 0 HA SER A 448 3.897 -0.761 -12.990 1.00 0.11 H new ATOM 0 HB2 SER A 448 3.798 2.284 -12.702 1.00 0.14 H new ATOM 0 HB3 SER A 448 4.881 1.394 -13.754 1.00 0.14 H new ATOM 0 HG SER A 448 3.013 2.182 -14.882 1.00 1.10 H new ATOM 1690 N VAL A 449 4.427 0.629 -10.129 1.00 0.07 N ATOM 1691 CA VAL A 449 5.398 0.898 -9.086 1.00 0.06 C ATOM 1692 C VAL A 449 5.473 -0.196 -8.062 1.00 0.05 C ATOM 1693 O VAL A 449 6.542 -0.662 -7.733 1.00 0.05 O ATOM 1694 CB VAL A 449 5.092 2.233 -8.432 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.117 3.299 -9.490 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.760 2.181 -7.746 1.00 0.06 C ATOM 0 H VAL A 449 3.458 0.812 -9.867 1.00 0.07 H new ATOM 0 HA VAL A 449 6.380 0.940 -9.557 1.00 0.06 H new ATOM 0 HB VAL A 449 5.841 2.462 -7.674 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.899 4.266 -9.037 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.103 3.329 -9.953 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.367 3.076 -10.249 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.552 3.145 -7.281 1.00 0.06 H new ATOM 0 HG22 VAL A 449 2.983 1.956 -8.477 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.775 1.405 -6.981 1.00 0.06 H new ATOM 1706 N MET A 450 4.356 -0.637 -7.567 1.00 0.05 N ATOM 1707 CA MET A 450 4.378 -1.678 -6.564 1.00 0.05 C ATOM 1708 C MET A 450 4.879 -2.978 -7.167 1.00 0.05 C ATOM 1709 O MET A 450 5.055 -3.970 -6.462 1.00 0.06 O ATOM 1710 CB MET A 450 3.018 -1.833 -5.895 1.00 0.07 C ATOM 1711 CG MET A 450 2.957 -1.307 -4.464 1.00 0.06 C ATOM 1712 SD MET A 450 3.229 -2.582 -3.211 1.00 0.06 S ATOM 1713 CE MET A 450 2.966 -4.066 -4.151 1.00 0.05 C ATOM 0 H MET A 450 3.428 -0.304 -7.830 1.00 0.05 H new ATOM 0 HA MET A 450 5.075 -1.391 -5.777 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.271 -1.312 -6.493 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.745 -2.888 -5.893 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.705 -0.524 -4.342 1.00 0.06 H new ATOM 0 HG3 MET A 450 1.983 -0.847 -4.296 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.871 -4.914 -3.473 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.053 -3.968 -4.739 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.812 -4.228 -4.819 1.00 0.05 H new ATOM 1723 N LYS A 451 5.158 -2.963 -8.450 1.00 0.05 N ATOM 1724 CA LYS A 451 5.763 -4.109 -9.074 1.00 0.05 C ATOM 1725 C LYS A 451 7.254 -4.065 -8.798 1.00 0.05 C ATOM 1726 O LYS A 451 7.902 -5.068 -8.486 1.00 0.06 O ATOM 1727 CB LYS A 451 5.511 -4.086 -10.561 1.00 0.06 C ATOM 1728 CG LYS A 451 6.246 -2.999 -11.209 1.00 0.06 C ATOM 1729 CD LYS A 451 5.988 -2.959 -12.669 1.00 0.08 C ATOM 1730 CE LYS A 451 7.041 -2.141 -13.335 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.283 -2.915 -13.599 1.00 0.92 N1+ ATOM 0 H LYS A 451 4.977 -2.177 -9.074 1.00 0.05 H new ATOM 0 HA LYS A 451 5.332 -5.026 -8.671 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.809 -5.040 -10.997 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.444 -3.969 -10.749 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.958 -2.047 -10.762 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.314 -3.125 -11.031 1.00 0.06 H new ATOM 0 HD2 LYS A 451 5.985 -3.970 -13.077 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.004 -2.534 -12.864 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.653 -1.752 -14.276 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.279 -1.281 -12.708 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.081 -2.471 -13.102 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.163 -3.890 -13.259 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.474 -2.926 -14.621 1.00 0.92 H new ATOM 1745 N GLU A 452 7.745 -2.825 -8.856 1.00 0.05 N ATOM 1746 CA GLU A 452 9.115 -2.485 -8.691 1.00 0.05 C ATOM 1747 C GLU A 452 9.487 -2.892 -7.325 1.00 0.05 C ATOM 1748 O GLU A 452 10.534 -3.453 -7.048 1.00 0.06 O ATOM 1749 CB GLU A 452 9.195 -0.987 -8.762 1.00 0.05 C ATOM 1750 CG GLU A 452 8.730 -0.424 -10.060 1.00 0.07 C ATOM 1751 CD GLU A 452 9.843 -0.163 -11.048 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.213 -1.094 -11.792 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.354 0.976 -11.083 1.00 0.25 O1- ATOM 0 H GLU A 452 7.153 -2.012 -9.028 1.00 0.05 H new ATOM 0 HA GLU A 452 9.757 -2.955 -9.436 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.597 -0.561 -7.956 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.226 -0.678 -8.591 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.014 -1.113 -10.508 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.199 0.509 -9.871 1.00 0.07 H new ATOM 1760 N LEU A 453 8.575 -2.494 -6.482 1.00 0.04 N ATOM 1761 CA LEU A 453 8.515 -2.835 -5.122 1.00 0.04 C ATOM 1762 C LEU A 453 8.714 -4.282 -4.886 1.00 0.05 C ATOM 1763 O LEU A 453 9.698 -4.666 -4.289 1.00 0.05 O ATOM 1764 CB LEU A 453 7.146 -2.457 -4.641 1.00 0.04 C ATOM 1765 CG LEU A 453 7.137 -1.883 -3.289 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.308 -1.011 -3.141 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.921 -1.086 -3.050 1.00 0.05 C ATOM 0 H LEU A 453 7.810 -1.881 -6.765 1.00 0.04 H new ATOM 0 HA LEU A 453 9.312 -2.312 -4.593 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.712 -1.738 -5.335 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.508 -3.340 -4.656 1.00 0.04 H new ATOM 0 HG LEU A 453 7.160 -2.700 -2.568 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.315 -0.577 -2.141 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.217 -1.594 -3.290 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.263 -0.213 -3.882 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.947 -0.676 -2.040 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.873 -0.270 -3.772 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.042 -1.721 -3.161 1.00 0.05 H new ATOM 1779 N PHE A 454 7.774 -5.072 -5.330 1.00 0.05 N ATOM 1780 CA PHE A 454 7.898 -6.526 -5.220 1.00 0.06 C ATOM 1781 C PHE A 454 9.306 -6.953 -5.652 1.00 0.07 C ATOM 1782 O PHE A 454 9.847 -7.963 -5.195 1.00 0.09 O ATOM 1783 CB PHE A 454 6.820 -7.240 -6.062 1.00 0.07 C ATOM 1784 CG PHE A 454 6.971 -8.746 -6.119 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.912 -9.370 -6.942 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.147 -9.549 -5.343 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.009 -10.748 -6.976 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.247 -10.922 -5.381 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.319 -11.506 -6.246 1.00 0.12 C ATOM 0 H PHE A 454 6.913 -4.749 -5.771 1.00 0.05 H new ATOM 0 HA PHE A 454 7.743 -6.817 -4.181 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.838 -7.000 -5.653 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.848 -6.845 -7.077 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.568 -8.771 -7.556 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.414 -9.089 -4.697 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.712 -11.197 -7.663 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.580 -11.551 -4.810 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.499 -12.571 -6.244 1.00 0.12 H new ATOM 1799 N GLY A 455 9.917 -6.103 -6.471 1.00 0.06 N ATOM 1800 CA GLY A 455 11.208 -6.398 -7.031 1.00 0.08 C ATOM 1801 C GLY A 455 12.330 -5.937 -6.126 1.00 0.08 C ATOM 1802 O GLY A 455 13.425 -6.492 -6.168 1.00 0.13 O ATOM 0 H GLY A 455 9.528 -5.204 -6.756 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.295 -7.471 -7.200 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.302 -5.914 -8.003 1.00 0.08 H new ATOM 1806 N MET A 456 12.075 -4.907 -5.314 1.00 0.06 N ATOM 1807 CA MET A 456 13.067 -4.441 -4.369 1.00 0.05 C ATOM 1808 C MET A 456 12.825 -4.915 -2.967 1.00 0.05 C ATOM 1809 O MET A 456 13.761 -5.306 -2.272 1.00 0.06 O ATOM 1810 CB MET A 456 13.174 -2.943 -4.354 1.00 0.05 C ATOM 1811 CG MET A 456 11.883 -2.247 -4.498 1.00 0.04 C ATOM 1812 SD MET A 456 11.916 -1.071 -5.837 1.00 0.05 S ATOM 1813 CE MET A 456 10.464 -0.202 -5.373 1.00 0.04 C ATOM 0 H MET A 456 11.195 -4.391 -5.299 1.00 0.06 H new ATOM 0 HA MET A 456 14.003 -4.875 -4.721 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.640 -2.632 -3.419 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.836 -2.628 -5.161 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.093 -2.977 -4.674 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.640 -1.733 -3.568 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.656 -0.449 -6.062 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.177 -0.487 -4.361 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.655 0.871 -5.408 1.00 0.04 H new ATOM 1823 N VAL A 457 11.598 -4.850 -2.529 1.00 0.05 N ATOM 1824 CA VAL A 457 11.294 -5.276 -1.193 1.00 0.05 C ATOM 1825 C VAL A 457 11.350 -6.765 -1.075 1.00 0.07 C ATOM 1826 O VAL A 457 11.123 -7.515 -2.027 1.00 0.08 O ATOM 1827 CB VAL A 457 9.963 -4.729 -0.645 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.207 -3.934 -1.684 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.103 -5.838 -0.068 1.00 0.05 C ATOM 0 H VAL A 457 10.802 -4.511 -3.070 1.00 0.05 H new ATOM 0 HA VAL A 457 12.072 -4.841 -0.565 1.00 0.05 H new ATOM 0 HB VAL A 457 10.211 -4.044 0.166 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.275 -3.567 -1.254 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.814 -3.089 -2.008 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.986 -4.572 -2.540 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.171 -5.417 0.310 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.882 -6.569 -0.846 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.637 -6.326 0.747 1.00 0.05 H new ATOM 1839 N GLU A 458 11.700 -7.164 0.109 1.00 0.08 N ATOM 1840 CA GLU A 458 11.847 -8.533 0.428 1.00 0.10 C ATOM 1841 C GLU A 458 10.887 -8.867 1.534 1.00 0.09 C ATOM 1842 O GLU A 458 10.436 -7.981 2.258 1.00 0.10 O ATOM 1843 CB GLU A 458 13.277 -8.775 0.883 1.00 0.13 C ATOM 1844 CG GLU A 458 14.089 -7.508 0.920 1.00 0.20 C ATOM 1845 CD GLU A 458 15.372 -7.636 1.709 1.00 0.27 C ATOM 1846 OE1 GLU A 458 15.315 -7.600 2.958 1.00 0.46 O ATOM 1847 OE2 GLU A 458 16.447 -7.758 1.090 1.00 0.48 O1- ATOM 0 H GLU A 458 11.892 -6.531 0.886 1.00 0.08 H new ATOM 0 HA GLU A 458 11.636 -9.161 -0.438 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.268 -9.227 1.875 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.753 -9.489 0.211 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.328 -7.209 -0.101 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.484 -6.711 1.352 1.00 0.20 H new ATOM 1854 N LYS A 459 10.531 -10.131 1.633 1.00 0.11 N ATOM 1855 CA LYS A 459 9.791 -10.597 2.775 1.00 0.13 C ATOM 1856 C LYS A 459 10.595 -10.320 4.010 1.00 0.15 C ATOM 1857 O LYS A 459 11.546 -11.032 4.331 1.00 0.18 O ATOM 1858 CB LYS A 459 9.463 -12.071 2.684 1.00 0.16 C ATOM 1859 CG LYS A 459 8.553 -12.368 1.526 1.00 0.22 C ATOM 1860 CD LYS A 459 9.247 -13.173 0.462 1.00 0.70 C ATOM 1861 CE LYS A 459 9.473 -14.609 0.911 1.00 0.40 C ATOM 1862 NZ LYS A 459 10.030 -15.458 -0.175 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.743 -10.847 0.938 1.00 0.11 H new ATOM 0 HA LYS A 459 8.840 -10.066 2.810 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.385 -12.643 2.578 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.990 -12.396 3.611 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.678 -12.913 1.882 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.193 -11.433 1.097 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.650 -13.165 -0.450 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.204 -12.711 0.220 1.00 0.70 H new ATOM 0 HE2 LYS A 459 10.154 -14.618 1.762 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.529 -15.033 1.253 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 10.167 -16.427 0.177 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.369 -15.472 -0.978 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 10.944 -15.070 -0.485 1.00 0.99 H new ATOM 1876 N GLY A 460 10.192 -9.278 4.685 1.00 0.15 N ATOM 1877 CA GLY A 460 10.914 -8.821 5.847 1.00 0.19 C ATOM 1878 C GLY A 460 11.183 -7.337 5.784 1.00 0.15 C ATOM 1879 O GLY A 460 11.613 -6.735 6.763 1.00 0.17 O ATOM 0 H GLY A 460 9.366 -8.727 4.452 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.341 -9.050 6.746 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.858 -9.360 5.925 1.00 0.19 H new ATOM 1883 N THR A 461 10.940 -6.753 4.623 1.00 0.12 N ATOM 1884 CA THR A 461 10.973 -5.322 4.457 1.00 0.07 C ATOM 1885 C THR A 461 9.799 -4.714 5.210 1.00 0.08 C ATOM 1886 O THR A 461 8.784 -5.369 5.415 1.00 0.13 O ATOM 1887 CB THR A 461 10.909 -4.980 2.946 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.160 -5.286 2.313 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.549 -3.529 2.705 1.00 0.05 C ATOM 0 H THR A 461 10.714 -7.265 3.770 1.00 0.12 H new ATOM 0 HA THR A 461 11.898 -4.909 4.860 1.00 0.07 H new ATOM 0 HB THR A 461 10.120 -5.592 2.509 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.378 -4.585 1.664 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.516 -3.336 1.633 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.573 -3.319 3.142 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.299 -2.887 3.167 1.00 0.05 H new ATOM 1897 N PRO A 462 9.921 -3.489 5.702 1.00 0.09 N ATOM 1898 CA PRO A 462 8.847 -2.826 6.359 1.00 0.14 C ATOM 1899 C PRO A 462 8.084 -1.974 5.374 1.00 0.13 C ATOM 1900 O PRO A 462 8.561 -1.707 4.271 1.00 0.18 O ATOM 1901 CB PRO A 462 9.568 -1.960 7.402 1.00 0.18 C ATOM 1902 CG PRO A 462 11.027 -2.098 7.086 1.00 0.13 C ATOM 1903 CD PRO A 462 11.087 -2.623 5.701 1.00 0.09 C ATOM 0 HA PRO A 462 8.115 -3.501 6.802 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.248 -0.920 7.339 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.350 -2.300 8.415 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.537 -1.138 7.164 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.517 -2.777 7.784 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.017 -1.833 4.954 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.010 -3.168 5.503 1.00 0.09 H new ATOM 1911 N VAL A 463 6.918 -1.551 5.746 1.00 0.09 N ATOM 1912 CA VAL A 463 6.220 -0.580 4.952 1.00 0.09 C ATOM 1913 C VAL A 463 5.857 0.559 5.851 1.00 0.08 C ATOM 1914 O VAL A 463 5.735 0.401 7.059 1.00 0.10 O ATOM 1915 CB VAL A 463 4.941 -1.106 4.287 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.169 -2.472 3.676 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.816 -1.122 5.291 1.00 0.54 C ATOM 0 H VAL A 463 6.429 -1.857 6.587 1.00 0.09 H new ATOM 0 HA VAL A 463 6.885 -0.289 4.139 1.00 0.09 H new ATOM 0 HB VAL A 463 4.662 -0.438 3.472 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.247 -2.821 3.212 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.953 -2.407 2.922 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.471 -3.173 4.454 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.909 -1.496 4.816 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.082 -1.771 6.125 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.642 -0.111 5.659 1.00 0.54 H new ATOM 1927 N LEU A 464 5.747 1.702 5.292 1.00 0.07 N ATOM 1928 CA LEU A 464 5.321 2.833 6.025 1.00 0.07 C ATOM 1929 C LEU A 464 4.297 3.542 5.229 1.00 0.07 C ATOM 1930 O LEU A 464 4.235 3.397 4.021 1.00 0.09 O ATOM 1931 CB LEU A 464 6.510 3.723 6.326 1.00 0.10 C ATOM 1932 CG LEU A 464 7.450 3.149 7.336 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.524 2.381 6.647 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.024 4.260 8.170 1.00 0.13 C ATOM 0 H LEU A 464 5.950 1.883 4.309 1.00 0.07 H new ATOM 0 HA LEU A 464 4.884 2.537 6.979 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.055 3.911 5.401 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.149 4.687 6.685 1.00 0.10 H new ATOM 0 HG LEU A 464 6.916 2.464 7.994 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.206 1.965 7.388 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.079 1.571 6.069 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.074 3.044 5.979 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.710 3.844 8.908 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.561 4.957 7.527 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.217 4.786 8.681 1.00 0.13 H new ATOM 1946 N VAL A 465 3.417 4.170 5.935 1.00 0.06 N ATOM 1947 CA VAL A 465 2.564 5.178 5.388 1.00 0.05 C ATOM 1948 C VAL A 465 2.507 6.225 6.462 1.00 0.08 C ATOM 1949 O VAL A 465 2.526 5.850 7.615 1.00 0.10 O ATOM 1950 CB VAL A 465 1.158 4.632 5.004 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.220 3.149 4.725 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.128 4.941 6.040 1.00 0.08 C ATOM 0 H VAL A 465 3.266 3.995 6.928 1.00 0.06 H new ATOM 0 HA VAL A 465 2.945 5.574 4.447 1.00 0.05 H new ATOM 0 HB VAL A 465 0.851 5.144 4.092 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.227 2.787 4.458 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.908 2.962 3.900 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.570 2.626 5.615 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.836 4.540 5.726 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.418 4.488 6.988 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.048 6.021 6.163 1.00 0.08 H new ATOM 1962 N PHE A 466 2.559 7.498 6.106 1.00 0.10 N ATOM 1963 CA PHE A 466 2.551 8.587 7.080 1.00 0.15 C ATOM 1964 C PHE A 466 2.684 9.947 6.411 1.00 0.21 C ATOM 1965 O PHE A 466 3.679 10.659 6.668 1.00 1.09 O ATOM 1966 CB PHE A 466 3.620 8.391 8.184 1.00 0.17 C ATOM 1967 CG PHE A 466 5.071 8.303 7.747 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.529 7.233 6.990 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.960 9.307 8.058 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.850 7.170 6.567 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.295 9.241 7.636 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.749 8.105 6.983 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.748 10.324 5.679 1.00 1.06 O ATOM 0 H PHE A 466 2.608 7.810 5.136 1.00 0.10 H new ATOM 0 HA PHE A 466 1.578 8.560 7.570 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.531 9.217 8.889 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.377 7.479 8.729 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.848 6.438 6.726 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.625 10.156 8.635 1.00 0.36 H new ATOM 0 HE1 PHE A 466 7.166 6.377 5.906 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.965 10.068 7.818 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.805 7.963 6.806 1.00 0.30 H new