USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=28 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 143:sc= -2.75! (180deg=-4.7!) USER MOD Set 1.2: A 450 MET CE :methyl -164:sc= -5.6! (180deg=-6.73!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.95 X(o=-6.7,f=-6.2) USER MOD Set 2.2: A 442 CYS SG : rot -170:sc= -0.889 USER MOD Set 2.3: A 444 ASN : amide:sc= -1.83 K(o=-6.7,f=-4) USER MOD Set 3.1: A 370 SER OG : rot -40:sc= -2.52! USER MOD Set 3.2: A 377 THR OG1 : rot 61:sc= 1.27 USER MOD Set 4.1: A 356 TYR OH : rot -29:sc= -0.588 USER MOD Set 4.2: A 358 LYS NZ :NH3+ 180:sc= 1.25 (180deg=0.054) USER MOD Single : A 343 THR OG1 : rot -5:sc= 1.05 USER MOD Single : A 344 TYR OH : rot 95:sc= 0.27 USER MOD Single : A 351 ASN : amide:sc= -1.99! K(o=-2!,f=-1.4) USER MOD Single : A 352 GLN : amide:sc= -9.81! C(o=-9.8!,f=-16!) USER MOD Single : A 353 HIS : no HE2:sc= -6.56! C(o=-6.6!,f=-6.3!) USER MOD Single : A 354 MET CE :methyl -126:sc= -5.35! (180deg=-6.17!) USER MOD Single : A 357 TYR OH : rot 38:sc= 0.6 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.81! USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 374 THR OG1 : rot 180:sc= -2.3! USER MOD Single : A 375 THR OG1 : rot 180:sc=-0.00865 USER MOD Single : A 383 TYR OH : rot -98:sc= 1.2 USER MOD Single : A 386 ASN : amide:sc= -1.82! K(o=-1.8!,f=-1.1) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (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= -0.202 X(o=-0.2,f=0) USER MOD Single : A 409 TYR OH : rot -144:sc= 0.113 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -132:sc= -3.5! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 112:sc= -2.06! USER MOD Single : A 439 SER OG : rot 45:sc= 0.0961 USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 445 THR OG1 : rot -134:sc= 0.755 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ -119:sc= 0.0985 (180deg=-0.0213) USER MOD Single : A 456 MET CE :methyl -107:sc= -20.4! (180deg=-29.1!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= -0.524 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.281 0.821 6.120 1.00 0.24 N ATOM 61 CA ASP A 342 17.468 1.790 5.426 1.00 0.20 C ATOM 62 C ASP A 342 16.979 1.193 4.130 1.00 0.17 C ATOM 63 O ASP A 342 17.565 1.398 3.068 1.00 0.19 O ATOM 64 CB ASP A 342 18.234 3.081 5.136 1.00 0.22 C ATOM 65 CG ASP A 342 18.856 3.698 6.370 1.00 0.31 C ATOM 66 OD1 ASP A 342 19.935 3.240 6.790 1.00 0.43 O1- ATOM 67 OD2 ASP A 342 18.275 4.655 6.922 1.00 0.39 O ATOM 0 HA ASP A 342 16.627 2.043 6.071 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.018 2.874 4.407 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.556 3.803 4.680 1.00 0.22 H new ATOM 72 N THR A 343 15.898 0.452 4.244 1.00 0.13 N ATOM 73 CA THR A 343 15.145 -0.028 3.114 1.00 0.10 C ATOM 74 C THR A 343 13.743 -0.363 3.561 1.00 0.08 C ATOM 75 O THR A 343 13.562 -1.006 4.596 1.00 0.10 O ATOM 76 CB THR A 343 15.741 -1.271 2.457 1.00 0.11 C ATOM 77 OG1 THR A 343 17.046 -0.982 1.936 1.00 0.14 O ATOM 78 CG2 THR A 343 14.810 -1.714 1.347 1.00 0.08 C ATOM 0 H THR A 343 15.514 0.163 5.143 1.00 0.13 H new ATOM 0 HA THR A 343 15.163 0.772 2.374 1.00 0.10 H new ATOM 0 HB THR A 343 15.846 -2.069 3.192 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.240 -0.028 2.050 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.217 -2.602 0.863 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.830 -1.945 1.765 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.712 -0.914 0.613 1.00 0.08 H new ATOM 86 N TYR A 344 12.761 0.062 2.788 1.00 0.07 N ATOM 87 CA TYR A 344 11.372 -0.122 3.169 1.00 0.06 C ATOM 88 C TYR A 344 10.451 0.566 2.204 1.00 0.06 C ATOM 89 O TYR A 344 10.857 1.457 1.487 1.00 0.06 O ATOM 90 CB TYR A 344 11.132 0.479 4.538 1.00 0.08 C ATOM 91 CG TYR A 344 11.566 1.926 4.655 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.871 2.224 4.996 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.686 2.980 4.439 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.300 3.526 5.124 1.00 0.13 C ATOM 95 CE2 TYR A 344 11.104 4.289 4.563 1.00 0.11 C ATOM 96 CZ TYR A 344 12.415 4.559 4.909 1.00 0.13 C ATOM 97 OH TYR A 344 12.845 5.859 5.039 1.00 0.15 O ATOM 0 H TYR A 344 12.898 0.536 1.895 1.00 0.07 H new ATOM 0 HA TYR A 344 11.171 -1.193 3.170 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.070 0.407 4.775 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.665 -0.112 5.283 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.570 1.418 5.166 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.661 2.771 4.170 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.325 3.736 5.392 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.410 5.099 4.391 1.00 0.11 H new ATOM 0 HH TYR A 344 13.098 6.209 4.159 1.00 0.15 H new ATOM 107 N ILE A 345 9.212 0.138 2.174 1.00 0.06 N ATOM 108 CA ILE A 345 8.185 0.920 1.544 1.00 0.06 C ATOM 109 C ILE A 345 7.792 2.034 2.457 1.00 0.07 C ATOM 110 O ILE A 345 7.868 1.903 3.672 1.00 0.08 O ATOM 111 CB ILE A 345 6.909 0.137 1.228 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.185 -1.348 1.229 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.405 0.549 -0.130 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.242 -1.711 0.273 1.00 0.05 C ATOM 0 H ILE A 345 8.895 -0.744 2.577 1.00 0.06 H new ATOM 0 HA ILE A 345 8.612 1.266 0.602 1.00 0.06 H new ATOM 0 HB ILE A 345 6.161 0.354 1.990 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.478 -1.662 2.231 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.271 -1.887 0.981 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.495 -0.004 -0.364 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.190 1.618 -0.129 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.165 0.332 -0.881 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.409 -2.788 0.306 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.938 -1.422 -0.733 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.164 -1.193 0.536 1.00 0.05 H new ATOM 126 N GLU A 346 7.344 3.102 1.876 1.00 0.09 N ATOM 127 CA GLU A 346 6.995 4.277 2.631 1.00 0.12 C ATOM 128 C GLU A 346 5.875 5.014 1.931 1.00 0.17 C ATOM 129 O GLU A 346 5.823 5.043 0.723 1.00 0.21 O ATOM 130 CB GLU A 346 8.215 5.175 2.731 1.00 0.15 C ATOM 131 CG GLU A 346 7.950 6.385 3.583 1.00 0.13 C ATOM 132 CD GLU A 346 9.073 7.405 3.618 1.00 1.24 C ATOM 133 OE1 GLU A 346 10.025 7.220 4.405 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 8.996 8.415 2.884 1.00 1.53 O ATOM 0 H GLU A 346 7.208 3.190 0.869 1.00 0.09 H new ATOM 0 HA GLU A 346 6.664 3.992 3.630 1.00 0.12 H new ATOM 0 HB2 GLU A 346 9.048 4.611 3.150 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.515 5.492 1.732 1.00 0.15 H new ATOM 0 HG2 GLU A 346 7.046 6.875 3.221 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.747 6.056 4.602 1.00 0.13 H new ATOM 141 N VAL A 347 4.937 5.546 2.684 1.00 0.17 N ATOM 142 CA VAL A 347 3.863 6.304 2.097 1.00 0.17 C ATOM 143 C VAL A 347 3.615 7.584 2.859 1.00 0.20 C ATOM 144 O VAL A 347 4.066 7.747 3.979 1.00 0.45 O ATOM 145 CB VAL A 347 2.543 5.528 2.048 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.639 6.166 1.021 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.762 4.056 1.739 1.00 0.15 C ATOM 0 H VAL A 347 4.899 5.466 3.700 1.00 0.17 H new ATOM 0 HA VAL A 347 4.187 6.519 1.079 1.00 0.17 H new ATOM 0 HB VAL A 347 2.073 5.573 3.031 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.696 5.621 0.978 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.447 7.202 1.299 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.121 6.136 0.044 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.801 3.543 1.714 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.252 3.957 0.771 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.390 3.612 2.511 1.00 0.15 H new ATOM 157 N ASP A 348 2.931 8.490 2.201 1.00 0.10 N ATOM 158 CA ASP A 348 2.478 9.729 2.773 1.00 0.09 C ATOM 159 C ASP A 348 1.083 9.987 2.237 1.00 0.08 C ATOM 160 O ASP A 348 0.905 10.279 1.075 1.00 0.10 O ATOM 161 CB ASP A 348 3.429 10.851 2.345 1.00 0.12 C ATOM 162 CG ASP A 348 3.226 12.116 3.140 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.057 12.452 3.441 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.231 12.767 3.491 1.00 0.24 O ATOM 0 H ASP A 348 2.668 8.378 1.222 1.00 0.10 H new ATOM 0 HA ASP A 348 2.461 9.686 3.862 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.459 10.514 2.462 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.281 11.064 1.286 1.00 0.12 H new ATOM 169 N LEU A 349 0.111 9.804 3.105 1.00 0.08 N ATOM 170 CA LEU A 349 -1.315 9.775 2.749 1.00 0.09 C ATOM 171 C LEU A 349 -1.855 11.160 2.676 1.00 0.12 C ATOM 172 O LEU A 349 -2.788 11.481 1.954 1.00 0.16 O ATOM 173 CB LEU A 349 -2.086 9.041 3.825 1.00 0.10 C ATOM 174 CG LEU A 349 -1.448 7.752 4.260 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.784 7.092 3.082 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.455 8.035 5.345 1.00 0.08 C ATOM 0 H LEU A 349 0.280 9.667 4.101 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.419 9.278 1.784 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.191 9.693 4.692 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.091 8.832 3.459 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.207 7.073 4.649 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.322 6.158 3.401 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.529 6.885 2.313 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.019 7.755 2.677 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.011 7.103 5.664 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.311 8.713 4.969 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.963 8.495 6.192 1.00 0.08 H new ATOM 188 N GLU A 350 -1.270 11.930 3.558 1.00 0.13 N ATOM 189 CA GLU A 350 -1.511 13.343 3.690 1.00 0.15 C ATOM 190 C GLU A 350 -1.215 13.983 2.377 1.00 0.14 C ATOM 191 O GLU A 350 -1.913 14.869 1.894 1.00 0.17 O ATOM 192 CB GLU A 350 -0.541 13.875 4.706 1.00 0.18 C ATOM 193 CG GLU A 350 -0.353 12.950 5.841 1.00 0.19 C ATOM 194 CD GLU A 350 -0.539 13.589 7.198 1.00 0.28 C ATOM 195 OE1 GLU A 350 0.078 14.646 7.442 1.00 0.57 O ATOM 196 OE2 GLU A 350 -1.302 13.043 8.026 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.588 11.576 4.228 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.539 13.544 3.991 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.420 14.057 4.226 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.899 14.835 5.078 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.056 12.123 5.742 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.649 12.525 5.786 1.00 0.19 H new ATOM 203 N ASN A 351 -0.091 13.529 1.871 1.00 0.12 N ATOM 204 CA ASN A 351 0.499 14.047 0.642 1.00 0.11 C ATOM 205 C ASN A 351 0.245 13.114 -0.524 1.00 0.09 C ATOM 206 O ASN A 351 0.738 13.322 -1.637 1.00 0.10 O ATOM 207 CB ASN A 351 1.995 14.239 0.855 1.00 0.13 C ATOM 208 CG ASN A 351 2.256 15.337 1.846 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.521 16.484 1.482 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.158 14.997 3.111 1.00 0.18 N ATOM 0 H ASN A 351 0.452 12.780 2.301 1.00 0.12 H new ATOM 0 HA ASN A 351 0.035 15.003 0.401 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.439 13.309 1.211 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.474 14.478 -0.094 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.303 15.696 3.840 1.00 0.18 H new ATOM 0 HD22 ASN A 351 1.936 14.034 3.365 1.00 0.18 H new ATOM 217 N GLN A 352 -0.541 12.086 -0.203 1.00 0.08 N ATOM 218 CA GLN A 352 -0.888 10.969 -1.081 1.00 0.08 C ATOM 219 C GLN A 352 0.209 10.592 -2.048 1.00 0.07 C ATOM 220 O GLN A 352 0.041 10.641 -3.264 1.00 0.08 O ATOM 221 CB GLN A 352 -2.196 11.209 -1.798 1.00 0.12 C ATOM 222 CG GLN A 352 -3.360 11.203 -0.845 1.00 0.21 C ATOM 223 CD GLN A 352 -4.517 11.993 -1.359 1.00 1.28 C ATOM 224 OE1 GLN A 352 -5.417 11.453 -2.002 1.00 2.15 O ATOM 225 NE2 GLN A 352 -4.492 13.284 -1.085 1.00 1.89 N ATOM 0 H GLN A 352 -0.972 12.006 0.718 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.013 10.109 -0.423 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.156 12.166 -2.318 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.342 10.440 -2.556 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -3.675 10.175 -0.667 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.043 11.610 0.115 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -3.719 13.676 -0.547 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -5.246 13.889 -1.411 1.00 1.89 H new ATOM 234 N HIS A 353 1.312 10.154 -1.489 1.00 0.05 N ATOM 235 CA HIS A 353 2.436 9.710 -2.273 1.00 0.05 C ATOM 236 C HIS A 353 3.072 8.513 -1.603 1.00 0.06 C ATOM 237 O HIS A 353 3.234 8.484 -0.397 1.00 0.07 O ATOM 238 CB HIS A 353 3.438 10.846 -2.435 1.00 0.06 C ATOM 239 CG HIS A 353 4.498 10.554 -3.440 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.453 10.952 -4.761 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.614 9.839 -3.307 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.513 10.468 -5.392 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.237 9.795 -4.520 1.00 0.07 N ATOM 0 H HIS A 353 1.454 10.096 -0.481 1.00 0.05 H new ATOM 0 HA HIS A 353 2.100 9.414 -3.267 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.907 11.751 -2.729 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.906 11.050 -1.472 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.723 11.525 -5.183 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.965 9.375 -2.397 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.744 10.602 -6.439 1.00 0.09 H new ATOM 252 N MET A 354 3.383 7.514 -2.395 1.00 0.05 N ATOM 253 CA MET A 354 3.967 6.307 -1.896 1.00 0.06 C ATOM 254 C MET A 354 5.393 6.167 -2.407 1.00 0.05 C ATOM 255 O MET A 354 5.749 6.714 -3.446 1.00 0.06 O ATOM 256 CB MET A 354 3.156 5.100 -2.312 1.00 0.07 C ATOM 257 CG MET A 354 3.476 3.865 -1.503 1.00 0.07 C ATOM 258 SD MET A 354 3.764 2.412 -2.517 1.00 0.06 S ATOM 259 CE MET A 354 4.980 3.061 -3.655 1.00 0.05 C ATOM 0 H MET A 354 3.235 7.522 -3.404 1.00 0.05 H new ATOM 0 HA MET A 354 3.975 6.360 -0.807 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.095 5.329 -2.210 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.337 4.894 -3.367 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.359 4.056 -0.894 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.653 3.664 -0.817 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.645 2.896 -4.679 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.106 4.130 -3.482 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.932 2.554 -3.499 1.00 0.05 H new ATOM 269 N TRP A 355 6.181 5.413 -1.683 1.00 0.05 N ATOM 270 CA TRP A 355 7.593 5.241 -1.955 1.00 0.07 C ATOM 271 C TRP A 355 8.027 3.829 -1.695 1.00 0.07 C ATOM 272 O TRP A 355 7.425 3.124 -0.902 1.00 0.11 O ATOM 273 CB TRP A 355 8.445 6.100 -1.024 1.00 0.08 C ATOM 274 CG TRP A 355 8.342 7.550 -1.245 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.062 8.298 -2.095 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.475 8.420 -0.566 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.679 9.607 -2.012 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.690 9.707 -1.052 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.528 8.219 0.406 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.957 10.791 -0.562 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.829 9.257 0.878 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.034 10.539 0.402 1.00 0.09 C ATOM 0 H TRP A 355 5.856 4.889 -0.870 1.00 0.05 H new ATOM 0 HA TRP A 355 7.730 5.521 -3.000 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.161 5.884 0.006 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.488 5.804 -1.135 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.833 7.920 -2.750 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.058 10.377 -2.563 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.347 7.225 0.789 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.118 11.791 -0.936 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.089 9.090 1.647 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.450 11.354 0.804 1.00 0.09 H new ATOM 293 N TYR A 356 9.081 3.435 -2.353 1.00 0.04 N ATOM 294 CA TYR A 356 9.946 2.426 -1.818 1.00 0.04 C ATOM 295 C TYR A 356 11.215 3.103 -1.458 1.00 0.04 C ATOM 296 O TYR A 356 11.596 4.082 -2.068 1.00 0.05 O ATOM 297 CB TYR A 356 10.278 1.362 -2.795 1.00 0.03 C ATOM 298 CG TYR A 356 11.163 0.276 -2.203 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.625 -0.715 -1.420 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.514 0.217 -2.475 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.394 -1.737 -0.943 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.301 -0.802 -1.983 1.00 0.10 C ATOM 303 CZ TYR A 356 12.727 -1.783 -1.226 1.00 0.05 C ATOM 304 OH TYR A 356 13.481 -2.837 -0.782 1.00 0.26 O ATOM 0 H TYR A 356 9.361 3.800 -3.264 1.00 0.04 H new ATOM 0 HA TYR A 356 9.439 1.954 -0.977 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.356 0.913 -3.164 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.781 1.807 -3.653 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.573 -0.685 -1.177 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.964 0.985 -3.086 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.945 -2.512 -0.339 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.360 -0.824 -2.194 1.00 0.10 H new ATOM 0 HH TYR A 356 13.094 -3.190 0.046 1.00 0.26 H new ATOM 314 N TYR A 357 11.874 2.545 -0.528 1.00 0.05 N ATOM 315 CA TYR A 357 13.110 3.089 -0.044 1.00 0.06 C ATOM 316 C TYR A 357 14.180 2.047 -0.061 1.00 0.06 C ATOM 317 O TYR A 357 14.064 1.016 0.582 1.00 0.07 O ATOM 318 CB TYR A 357 12.981 3.640 1.367 1.00 0.07 C ATOM 319 CG TYR A 357 12.587 5.083 1.429 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.276 5.478 1.210 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.534 6.052 1.713 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.918 6.808 1.273 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.190 7.379 1.777 1.00 0.11 C ATOM 324 CZ TYR A 357 11.877 7.756 1.556 1.00 0.11 C ATOM 325 OH TYR A 357 11.512 9.078 1.633 1.00 0.14 O ATOM 0 H TYR A 357 11.583 1.685 -0.062 1.00 0.05 H new ATOM 0 HA TYR A 357 13.375 3.910 -0.710 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.242 3.050 1.909 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.932 3.512 1.883 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.525 4.734 0.987 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.559 5.759 1.887 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.894 7.104 1.102 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.939 8.124 1.998 1.00 0.11 H new ATOM 0 HH TYR A 357 10.635 9.151 2.064 1.00 0.14 H new ATOM 335 N LYS A 358 15.195 2.320 -0.822 1.00 0.07 N ATOM 336 CA LYS A 358 16.412 1.565 -0.769 1.00 0.09 C ATOM 337 C LYS A 358 17.493 2.547 -0.397 1.00 0.13 C ATOM 338 O LYS A 358 17.515 3.643 -0.900 1.00 0.25 O ATOM 339 CB LYS A 358 16.734 0.924 -2.103 1.00 0.11 C ATOM 340 CG LYS A 358 17.714 -0.199 -1.977 1.00 0.12 C ATOM 341 CD LYS A 358 17.045 -1.332 -1.311 1.00 0.09 C ATOM 342 CE LYS A 358 16.481 -2.245 -2.340 1.00 0.09 C ATOM 343 NZ LYS A 358 15.924 -3.490 -1.750 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.204 3.079 -1.503 1.00 0.07 H new ATOM 0 HA LYS A 358 16.325 0.753 -0.047 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.815 0.551 -2.554 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.137 1.679 -2.778 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.076 -0.498 -2.961 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.583 0.119 -1.401 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.755 -1.869 -0.682 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.252 -0.968 -0.658 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.697 -1.726 -2.892 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.259 -2.503 -3.058 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.543 -4.093 -2.507 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.676 -4.001 -1.245 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.163 -3.248 -1.084 1.00 0.10 H new ATOM 357 N ASP A 359 18.363 2.142 0.499 1.00 0.13 N ATOM 358 CA ASP A 359 19.541 2.926 0.878 1.00 0.16 C ATOM 359 C ASP A 359 19.206 4.180 1.655 1.00 0.16 C ATOM 360 O ASP A 359 20.043 5.071 1.796 1.00 0.28 O ATOM 361 CB ASP A 359 20.352 3.338 -0.327 1.00 0.19 C ATOM 362 CG ASP A 359 21.818 2.982 -0.198 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.521 3.613 0.619 1.00 0.39 O1- ATOM 364 OD2 ASP A 359 22.275 2.067 -0.915 1.00 0.43 O ATOM 0 H ASP A 359 18.283 1.255 0.995 1.00 0.13 H new ATOM 0 HA ASP A 359 20.117 2.258 1.518 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.943 2.857 -1.216 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.256 4.414 -0.473 1.00 0.19 H new ATOM 369 N GLY A 360 17.999 4.216 2.195 1.00 0.15 N ATOM 370 CA GLY A 360 17.517 5.413 2.860 1.00 0.15 C ATOM 371 C GLY A 360 17.073 6.464 1.909 1.00 0.14 C ATOM 372 O GLY A 360 16.744 7.588 2.291 1.00 0.18 O ATOM 0 H GLY A 360 17.341 3.437 2.186 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.687 5.149 3.515 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.308 5.814 3.493 1.00 0.15 H new ATOM 376 N LYS A 361 17.033 6.070 0.683 1.00 0.13 N ATOM 377 CA LYS A 361 16.597 6.900 -0.390 1.00 0.13 C ATOM 378 C LYS A 361 15.570 6.072 -1.116 1.00 0.09 C ATOM 379 O LYS A 361 15.304 4.954 -0.702 1.00 0.12 O ATOM 380 CB LYS A 361 17.809 7.194 -1.238 1.00 0.16 C ATOM 381 CG LYS A 361 18.312 5.978 -1.976 1.00 0.17 C ATOM 382 CD LYS A 361 19.345 6.316 -3.000 1.00 0.23 C ATOM 383 CE LYS A 361 18.754 7.219 -4.056 1.00 0.26 C ATOM 384 NZ LYS A 361 19.560 7.222 -5.304 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.311 5.134 0.389 1.00 0.13 H new ATOM 0 HA LYS A 361 16.162 7.854 -0.093 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.563 7.975 -1.958 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.605 7.584 -0.604 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.732 5.271 -1.261 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.473 5.479 -2.462 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.193 6.808 -2.523 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.723 5.404 -3.461 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.738 6.895 -4.282 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.686 8.235 -3.667 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 19.118 7.855 -6.001 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.523 7.556 -5.095 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.604 6.258 -5.691 1.00 0.37 H new ATOM 398 N VAL A 362 14.942 6.579 -2.138 1.00 0.09 N ATOM 399 CA VAL A 362 13.901 5.782 -2.733 1.00 0.07 C ATOM 400 C VAL A 362 14.232 5.120 -4.014 1.00 0.07 C ATOM 401 O VAL A 362 15.089 5.537 -4.791 1.00 0.10 O ATOM 402 CB VAL A 362 12.598 6.510 -2.913 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.164 7.054 -1.605 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.677 7.577 -3.938 1.00 0.09 C ATOM 0 H VAL A 362 15.116 7.491 -2.561 1.00 0.09 H new ATOM 0 HA VAL A 362 13.795 5.003 -1.978 1.00 0.07 H new ATOM 0 HB VAL A 362 11.858 5.798 -3.280 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.219 7.584 -1.727 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.033 6.236 -0.896 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.920 7.743 -1.228 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.708 8.069 -4.026 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.430 8.308 -3.645 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.950 7.140 -4.898 1.00 0.09 H new ATOM 414 N ALA A 363 13.445 4.090 -4.216 1.00 0.05 N ATOM 415 CA ALA A 363 13.521 3.257 -5.353 1.00 0.05 C ATOM 416 C ALA A 363 12.316 3.553 -6.175 1.00 0.05 C ATOM 417 O ALA A 363 12.284 3.411 -7.396 1.00 0.07 O ATOM 418 CB ALA A 363 13.511 1.808 -4.917 1.00 0.05 C ATOM 0 H ALA A 363 12.715 3.814 -3.560 1.00 0.05 H new ATOM 0 HA ALA A 363 14.434 3.434 -5.921 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.570 1.164 -5.794 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.366 1.617 -4.269 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.590 1.598 -4.373 1.00 0.05 H new ATOM 424 N LEU A 364 11.321 3.974 -5.434 1.00 0.04 N ATOM 425 CA LEU A 364 10.025 4.242 -5.949 1.00 0.04 C ATOM 426 C LEU A 364 9.500 5.532 -5.453 1.00 0.05 C ATOM 427 O LEU A 364 9.713 5.931 -4.310 1.00 0.06 O ATOM 428 CB LEU A 364 9.107 3.138 -5.516 1.00 0.04 C ATOM 429 CG LEU A 364 8.429 2.438 -6.641 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.453 2.087 -7.672 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.775 1.207 -6.127 1.00 0.05 C ATOM 0 H LEU A 364 11.405 4.140 -4.431 1.00 0.04 H new ATOM 0 HA LEU A 364 10.085 4.300 -7.036 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.678 2.410 -4.940 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.350 3.550 -4.849 1.00 0.04 H new ATOM 0 HG LEU A 364 7.670 3.081 -7.088 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.971 1.573 -8.503 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.930 2.997 -8.036 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.206 1.435 -7.230 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.277 0.690 -6.947 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.527 0.551 -5.689 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.041 1.475 -5.368 1.00 0.05 H new ATOM 443 N GLU A 365 8.790 6.149 -6.335 1.00 0.05 N ATOM 444 CA GLU A 365 8.122 7.355 -6.058 1.00 0.06 C ATOM 445 C GLU A 365 6.824 7.228 -6.753 1.00 0.05 C ATOM 446 O GLU A 365 6.787 7.098 -7.975 1.00 0.07 O ATOM 447 CB GLU A 365 8.920 8.482 -6.651 1.00 0.10 C ATOM 448 CG GLU A 365 9.122 9.664 -5.731 1.00 0.16 C ATOM 449 CD GLU A 365 10.184 10.610 -6.241 1.00 0.27 C ATOM 450 OE1 GLU A 365 11.381 10.321 -6.055 1.00 0.48 O ATOM 451 OE2 GLU A 365 9.821 11.643 -6.840 1.00 0.45 O1- ATOM 0 H GLU A 365 8.661 5.813 -7.289 1.00 0.05 H new ATOM 0 HA GLU A 365 7.994 7.549 -4.993 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.896 8.100 -6.950 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.421 8.825 -7.557 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.180 10.202 -5.622 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.402 9.307 -4.740 1.00 0.16 H new ATOM 458 N THR A 366 5.761 7.256 -6.026 1.00 0.05 N ATOM 459 CA THR A 366 4.529 7.141 -6.675 1.00 0.06 C ATOM 460 C THR A 366 3.445 7.865 -5.944 1.00 0.06 C ATOM 461 O THR A 366 3.573 8.225 -4.794 1.00 0.07 O ATOM 462 CB THR A 366 4.181 5.662 -6.858 1.00 0.06 C ATOM 463 OG1 THR A 366 3.613 5.434 -8.130 1.00 0.07 O ATOM 464 CG2 THR A 366 3.209 5.212 -5.809 1.00 0.07 C ATOM 0 H THR A 366 5.730 7.355 -5.011 1.00 0.05 H new ATOM 0 HA THR A 366 4.612 7.611 -7.655 1.00 0.06 H new ATOM 0 HB THR A 366 5.107 5.094 -6.766 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.085 5.971 -8.800 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.975 4.158 -5.958 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.649 5.350 -4.822 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.295 5.800 -5.884 1.00 0.07 H new ATOM 472 N ASP A 367 2.398 8.076 -6.643 1.00 0.07 N ATOM 473 CA ASP A 367 1.267 8.761 -6.150 1.00 0.09 C ATOM 474 C ASP A 367 0.184 7.760 -5.790 1.00 0.09 C ATOM 475 O ASP A 367 -0.043 6.806 -6.516 1.00 0.11 O ATOM 476 CB ASP A 367 0.869 9.734 -7.248 1.00 0.13 C ATOM 477 CG ASP A 367 0.718 9.113 -8.640 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.601 8.326 -9.059 1.00 1.65 O ATOM 479 OD2 ASP A 367 -0.244 9.463 -9.348 1.00 1.80 O1- ATOM 0 H ASP A 367 2.300 7.766 -7.610 1.00 0.07 H new ATOM 0 HA ASP A 367 1.458 9.316 -5.232 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.075 10.204 -6.972 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.616 10.526 -7.299 1.00 0.13 H new ATOM 484 N ILE A 368 -0.419 7.940 -4.617 1.00 0.09 N ATOM 485 CA ILE A 368 -1.358 6.964 -4.075 1.00 0.08 C ATOM 486 C ILE A 368 -2.591 7.604 -3.521 1.00 0.07 C ATOM 487 O ILE A 368 -2.797 8.808 -3.606 1.00 0.08 O ATOM 488 CB ILE A 368 -0.749 6.130 -2.944 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.030 6.993 -1.987 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.120 5.059 -3.514 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.803 7.588 -0.869 1.00 0.08 C ATOM 0 H ILE A 368 -0.273 8.756 -4.023 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.608 6.328 -4.924 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.561 5.667 -2.383 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.833 6.399 -1.550 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.500 7.803 -2.545 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.550 4.470 -2.704 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.475 4.411 -4.157 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.921 5.513 -4.097 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.167 8.195 -0.225 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.590 8.211 -1.294 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.252 6.786 -0.283 1.00 0.08 H new ATOM 503 N VAL A 369 -3.379 6.757 -2.914 1.00 0.07 N ATOM 504 CA VAL A 369 -4.551 7.158 -2.188 1.00 0.08 C ATOM 505 C VAL A 369 -4.804 6.120 -1.109 1.00 0.09 C ATOM 506 O VAL A 369 -4.932 4.927 -1.378 1.00 0.10 O ATOM 507 CB VAL A 369 -5.802 7.395 -3.102 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.531 7.060 -4.571 1.00 0.10 C ATOM 509 CG2 VAL A 369 -7.026 6.640 -2.603 1.00 0.09 C ATOM 0 H VAL A 369 -3.220 5.750 -2.911 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.373 8.133 -1.734 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.013 8.463 -3.042 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.431 7.243 -5.158 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.721 7.687 -4.944 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.247 6.011 -4.659 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.869 6.834 -3.267 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.813 5.571 -2.589 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.274 6.974 -1.595 1.00 0.09 H new ATOM 519 N SER A 370 -4.754 6.595 0.116 1.00 0.09 N ATOM 520 CA SER A 370 -4.923 5.762 1.297 1.00 0.08 C ATOM 521 C SER A 370 -6.397 5.475 1.549 1.00 0.08 C ATOM 522 O SER A 370 -7.223 5.701 0.665 1.00 0.10 O ATOM 523 CB SER A 370 -4.228 6.352 2.529 1.00 0.13 C ATOM 524 OG SER A 370 -3.553 5.340 3.228 1.00 1.26 O ATOM 0 H SER A 370 -4.593 7.580 0.328 1.00 0.09 H new ATOM 0 HA SER A 370 -4.430 4.810 1.102 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.524 7.127 2.224 1.00 0.13 H new ATOM 0 HB3 SER A 370 -4.963 6.827 3.179 1.00 0.13 H new ATOM 0 HG SER A 370 -4.102 4.528 3.239 1.00 1.26 H new ATOM 530 N GLY A 371 -6.744 4.942 2.702 1.00 0.09 N ATOM 531 CA GLY A 371 -8.117 4.543 2.894 1.00 0.12 C ATOM 532 C GLY A 371 -8.996 5.694 3.342 1.00 0.12 C ATOM 533 O GLY A 371 -8.507 6.754 3.749 1.00 0.14 O ATOM 0 H GLY A 371 -6.119 4.780 3.492 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.507 4.133 1.962 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.161 3.746 3.636 1.00 0.12 H new ATOM 537 N LYS A 372 -10.297 5.478 3.224 1.00 0.16 N ATOM 538 CA LYS A 372 -11.295 6.534 3.347 1.00 0.16 C ATOM 539 C LYS A 372 -11.427 7.023 4.793 1.00 0.18 C ATOM 540 O LYS A 372 -11.081 6.331 5.737 1.00 0.21 O ATOM 541 CB LYS A 372 -12.629 5.989 2.847 1.00 0.19 C ATOM 542 CG LYS A 372 -13.336 5.134 3.862 1.00 0.27 C ATOM 543 CD LYS A 372 -14.121 4.048 3.192 1.00 0.47 C ATOM 544 CE LYS A 372 -15.246 4.648 2.405 1.00 0.81 C ATOM 545 NZ LYS A 372 -16.105 3.626 1.756 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.695 4.557 3.039 1.00 0.16 H new ATOM 0 HA LYS A 372 -10.984 7.391 2.749 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.274 6.823 2.571 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.460 5.404 1.943 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.608 4.694 4.544 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.003 5.752 4.463 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.472 3.470 2.534 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.514 3.358 3.938 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.857 5.263 3.065 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.837 5.309 1.642 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.866 4.098 1.226 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -15.532 3.054 1.104 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -16.521 3.009 2.483 1.00 0.79 H new ATOM 559 N PRO A 373 -11.950 8.262 4.949 1.00 0.19 N ATOM 560 CA PRO A 373 -12.027 8.998 6.226 1.00 0.21 C ATOM 561 C PRO A 373 -12.786 8.263 7.291 1.00 0.24 C ATOM 562 O PRO A 373 -12.596 8.478 8.488 1.00 0.28 O ATOM 563 CB PRO A 373 -12.869 10.199 5.861 1.00 0.23 C ATOM 564 CG PRO A 373 -12.584 10.430 4.445 1.00 0.21 C ATOM 565 CD PRO A 373 -12.525 9.060 3.859 1.00 0.19 C ATOM 0 HA PRO A 373 -11.028 9.190 6.618 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.929 10.005 6.026 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.606 11.067 6.466 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.362 11.032 3.975 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.643 10.963 4.309 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.513 8.700 3.573 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.903 9.030 2.964 1.00 0.19 H new ATOM 573 N THR A 374 -13.721 7.475 6.820 1.00 0.25 N ATOM 574 CA THR A 374 -14.615 6.738 7.689 1.00 0.28 C ATOM 575 C THR A 374 -13.856 5.610 8.368 1.00 0.30 C ATOM 576 O THR A 374 -14.126 5.238 9.512 1.00 0.33 O ATOM 577 CB THR A 374 -15.801 6.150 6.898 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.383 5.025 6.120 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.367 7.196 5.968 1.00 0.29 C ATOM 0 H THR A 374 -13.886 7.324 5.825 1.00 0.25 H new ATOM 0 HA THR A 374 -15.005 7.428 8.437 1.00 0.28 H new ATOM 0 HB THR A 374 -16.560 5.832 7.613 1.00 0.29 H new ATOM 0 HG1 THR A 374 -16.150 4.665 5.627 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.204 6.774 5.412 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.711 8.051 6.549 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.594 7.519 5.270 1.00 0.29 H new ATOM 587 N THR A 375 -12.894 5.091 7.633 1.00 0.28 N ATOM 588 CA THR A 375 -12.048 4.002 8.084 1.00 0.31 C ATOM 589 C THR A 375 -10.625 4.243 7.612 1.00 0.29 C ATOM 590 O THR A 375 -10.079 3.592 6.718 1.00 0.29 O ATOM 591 CB THR A 375 -12.609 2.667 7.624 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.665 1.600 7.795 1.00 0.39 O ATOM 593 CG2 THR A 375 -13.071 2.763 6.179 1.00 0.31 C ATOM 0 H THR A 375 -12.674 5.417 6.692 1.00 0.28 H new ATOM 0 HA THR A 375 -12.030 3.966 9.173 1.00 0.31 H new ATOM 0 HB THR A 375 -13.468 2.432 8.252 1.00 0.34 H new ATOM 0 HG1 THR A 375 -12.064 0.758 7.489 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.471 1.800 5.860 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.847 3.524 6.095 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.227 3.033 5.544 1.00 0.31 H new ATOM 601 N PRO A 376 -10.057 5.241 8.247 1.00 0.28 N ATOM 602 CA PRO A 376 -8.780 5.854 7.926 1.00 0.26 C ATOM 603 C PRO A 376 -7.603 4.926 7.952 1.00 0.26 C ATOM 604 O PRO A 376 -7.649 3.833 8.528 1.00 0.38 O ATOM 605 CB PRO A 376 -8.647 6.899 9.024 1.00 0.29 C ATOM 606 CG PRO A 376 -10.027 7.220 9.347 1.00 0.32 C ATOM 607 CD PRO A 376 -10.678 5.897 9.372 1.00 0.32 C ATOM 0 HA PRO A 376 -8.773 6.231 6.903 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.112 6.508 9.889 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.099 7.777 8.680 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.109 7.728 10.308 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.474 7.876 8.600 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.493 5.368 10.307 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.759 5.971 9.256 1.00 0.32 H new ATOM 615 N THR A 377 -6.538 5.374 7.334 1.00 0.17 N ATOM 616 CA THR A 377 -5.305 4.679 7.441 1.00 0.21 C ATOM 617 C THR A 377 -4.470 5.335 8.553 1.00 0.17 C ATOM 618 O THR A 377 -4.495 6.556 8.732 1.00 0.21 O ATOM 619 CB THR A 377 -4.557 4.619 6.084 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.249 3.258 5.765 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.274 5.421 6.098 1.00 0.22 C ATOM 0 H THR A 377 -6.512 6.215 6.757 1.00 0.17 H new ATOM 0 HA THR A 377 -5.491 3.639 7.710 1.00 0.21 H new ATOM 0 HB THR A 377 -5.217 5.053 5.333 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.080 2.744 5.686 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.788 5.347 5.125 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.500 6.466 6.312 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.608 5.029 6.867 1.00 0.22 H new ATOM 629 N PRO A 378 -3.752 4.510 9.328 1.00 0.14 N ATOM 630 CA PRO A 378 -3.105 4.898 10.590 1.00 0.15 C ATOM 631 C PRO A 378 -1.844 5.696 10.356 1.00 0.13 C ATOM 632 O PRO A 378 -1.612 6.724 10.991 1.00 0.16 O ATOM 633 CB PRO A 378 -2.733 3.525 11.189 1.00 0.17 C ATOM 634 CG PRO A 378 -3.526 2.546 10.406 1.00 0.19 C ATOM 635 CD PRO A 378 -3.475 3.112 9.039 1.00 0.17 C ATOM 0 HA PRO A 378 -3.741 5.524 11.216 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.664 3.331 11.100 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -2.979 3.476 12.250 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.093 1.547 10.448 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.549 2.465 10.774 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.503 2.970 8.566 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.219 2.669 8.377 1.00 0.17 H new ATOM 643 N ALA A 379 -1.063 5.209 9.418 1.00 0.11 N ATOM 644 CA ALA A 379 0.258 5.717 9.134 1.00 0.10 C ATOM 645 C ALA A 379 1.218 5.593 10.304 1.00 0.10 C ATOM 646 O ALA A 379 0.901 5.841 11.470 1.00 0.13 O ATOM 647 CB ALA A 379 0.227 7.125 8.589 1.00 0.11 C ATOM 0 H ALA A 379 -1.336 4.431 8.818 1.00 0.11 H new ATOM 0 HA ALA A 379 0.651 5.071 8.349 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.245 7.461 8.392 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.347 7.144 7.663 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.239 7.787 9.319 1.00 0.11 H new ATOM 653 N GLY A 380 2.404 5.199 9.929 1.00 0.10 N ATOM 654 CA GLY A 380 3.487 4.962 10.837 1.00 0.11 C ATOM 655 C GLY A 380 4.422 3.947 10.243 1.00 0.12 C ATOM 656 O GLY A 380 5.029 4.191 9.204 1.00 0.20 O ATOM 0 H GLY A 380 2.648 5.030 8.953 1.00 0.10 H new ATOM 0 HA2 GLY A 380 4.020 5.892 11.035 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.104 4.604 11.793 1.00 0.11 H new ATOM 660 N VAL A 381 4.502 2.796 10.878 1.00 0.12 N ATOM 661 CA VAL A 381 5.307 1.708 10.378 1.00 0.13 C ATOM 662 C VAL A 381 4.498 0.399 10.357 1.00 0.15 C ATOM 663 O VAL A 381 4.000 -0.076 11.381 1.00 0.25 O ATOM 664 CB VAL A 381 6.582 1.576 11.230 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.300 0.969 12.593 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.658 0.795 10.491 1.00 0.82 C ATOM 0 H VAL A 381 4.013 2.592 11.750 1.00 0.12 H new ATOM 0 HA VAL A 381 5.603 1.919 9.350 1.00 0.13 H new ATOM 0 HB VAL A 381 6.956 2.585 11.403 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.229 0.896 13.158 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.595 1.601 13.134 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.873 -0.026 12.467 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.547 0.718 11.117 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.289 -0.204 10.261 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.911 1.311 9.565 1.00 0.82 H new ATOM 676 N PHE A 382 4.308 -0.136 9.168 1.00 0.09 N ATOM 677 CA PHE A 382 3.685 -1.431 8.991 1.00 0.09 C ATOM 678 C PHE A 382 4.743 -2.363 8.379 1.00 0.09 C ATOM 679 O PHE A 382 5.903 -1.969 8.273 1.00 0.10 O ATOM 680 CB PHE A 382 2.408 -1.347 8.137 1.00 0.10 C ATOM 681 CG PHE A 382 1.547 -0.131 8.408 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.267 0.265 9.714 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.009 0.611 7.366 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.477 1.363 9.961 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.210 1.711 7.617 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.012 2.117 8.898 1.00 0.18 C ATOM 0 H PHE A 382 4.582 0.316 8.296 1.00 0.09 H new ATOM 0 HA PHE A 382 3.352 -1.827 9.950 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.690 -1.349 7.084 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.812 -2.243 8.309 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.675 -0.297 10.541 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.217 0.325 6.345 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.237 1.640 10.977 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.239 2.249 6.796 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.567 3.024 9.089 1.00 0.18 H new ATOM 696 N TYR A 383 4.408 -3.585 8.001 1.00 0.11 N ATOM 697 CA TYR A 383 5.459 -4.517 7.587 1.00 0.11 C ATOM 698 C TYR A 383 5.077 -5.362 6.377 1.00 0.11 C ATOM 699 O TYR A 383 4.067 -6.060 6.391 1.00 0.13 O ATOM 700 CB TYR A 383 5.746 -5.436 8.760 1.00 0.13 C ATOM 701 CG TYR A 383 7.203 -5.763 8.941 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.125 -4.756 9.188 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.653 -7.072 8.886 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.457 -5.043 9.379 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.985 -7.373 9.071 1.00 0.49 C ATOM 706 CZ TYR A 383 9.887 -6.352 9.321 1.00 0.50 C ATOM 707 OH TYR A 383 11.217 -6.645 9.519 1.00 0.65 O ATOM 0 H TYR A 383 3.457 -3.951 7.970 1.00 0.11 H new ATOM 0 HA TYR A 383 6.330 -3.932 7.294 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.373 -4.971 9.672 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.190 -6.364 8.625 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.792 -3.730 9.231 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.949 -7.869 8.695 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.162 -4.248 9.573 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.323 -8.398 9.021 1.00 0.49 H new ATOM 0 HH TYR A 383 11.661 -6.752 8.652 1.00 0.65 H new ATOM 717 N VAL A 384 5.897 -5.293 5.323 1.00 0.09 N ATOM 718 CA VAL A 384 5.773 -6.230 4.216 1.00 0.09 C ATOM 719 C VAL A 384 6.635 -7.431 4.482 1.00 0.13 C ATOM 720 O VAL A 384 7.824 -7.492 4.156 1.00 0.16 O ATOM 721 CB VAL A 384 6.108 -5.654 2.828 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.382 -4.857 2.864 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.205 -6.776 1.784 1.00 0.08 C ATOM 0 H VAL A 384 6.643 -4.605 5.219 1.00 0.09 H new ATOM 0 HA VAL A 384 4.716 -6.493 4.172 1.00 0.09 H new ATOM 0 HB VAL A 384 5.298 -4.983 2.541 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.593 -4.463 1.870 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.274 -4.031 3.567 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.204 -5.499 3.182 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.442 -6.347 0.810 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.989 -7.476 2.074 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.252 -7.302 1.726 1.00 0.08 H new ATOM 733 N TRP A 385 6.010 -8.389 5.082 1.00 0.18 N ATOM 734 CA TRP A 385 6.654 -9.637 5.363 1.00 0.23 C ATOM 735 C TRP A 385 6.342 -10.595 4.232 1.00 0.12 C ATOM 736 O TRP A 385 6.585 -11.797 4.316 1.00 0.21 O ATOM 737 CB TRP A 385 6.258 -10.177 6.742 1.00 0.48 C ATOM 738 CG TRP A 385 4.778 -10.331 6.938 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.851 -9.329 7.056 1.00 0.57 C ATOM 740 CD2 TRP A 385 4.054 -11.558 7.065 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.604 -9.862 7.233 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.701 -11.224 7.242 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.417 -12.907 7.038 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.713 -12.182 7.395 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.431 -13.862 7.189 1.00 2.11 C ATOM 746 CH2 TRP A 385 2.092 -13.496 7.366 1.00 2.55 C ATOM 0 H TRP A 385 5.040 -8.333 5.392 1.00 0.18 H new ATOM 0 HA TRP A 385 7.735 -9.503 5.414 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.736 -11.145 6.892 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.647 -9.507 7.508 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.073 -8.273 7.015 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.741 -9.329 7.341 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.448 -13.197 6.902 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.679 -11.902 7.532 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.698 -14.908 7.170 1.00 2.11 H new ATOM 0 HH2 TRP A 385 1.343 -14.266 7.482 1.00 2.55 H new ATOM 757 N ASN A 386 5.790 -10.012 3.163 1.00 0.10 N ATOM 758 CA ASN A 386 5.565 -10.713 1.909 1.00 0.14 C ATOM 759 C ASN A 386 5.173 -9.726 0.819 1.00 0.11 C ATOM 760 O ASN A 386 4.269 -8.924 0.984 1.00 0.12 O ATOM 761 CB ASN A 386 4.462 -11.758 2.085 1.00 0.27 C ATOM 762 CG ASN A 386 4.201 -12.552 0.817 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.854 -13.563 0.562 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.240 -12.111 0.022 1.00 0.31 N ATOM 0 H ASN A 386 5.488 -9.038 3.150 1.00 0.10 H new ATOM 0 HA ASN A 386 6.488 -11.214 1.617 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.740 -12.442 2.887 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.542 -11.261 2.394 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.018 -12.614 -0.837 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.721 -11.268 0.268 1.00 0.31 H new ATOM 771 N LYS A 387 5.900 -9.786 -0.274 1.00 0.11 N ATOM 772 CA LYS A 387 5.545 -9.096 -1.511 1.00 0.09 C ATOM 773 C LYS A 387 4.879 -10.083 -2.458 1.00 0.08 C ATOM 774 O LYS A 387 5.237 -11.261 -2.479 1.00 0.13 O ATOM 775 CB LYS A 387 6.788 -8.479 -2.174 1.00 0.13 C ATOM 776 CG LYS A 387 8.102 -8.791 -1.479 1.00 0.38 C ATOM 777 CD LYS A 387 8.478 -10.236 -1.671 1.00 0.20 C ATOM 778 CE LYS A 387 9.055 -10.486 -3.043 1.00 0.40 C ATOM 779 NZ LYS A 387 9.598 -11.861 -3.189 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.767 -10.320 -0.338 1.00 0.11 H new ATOM 0 HA LYS A 387 4.854 -8.285 -1.279 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.845 -8.831 -3.204 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.662 -7.397 -2.213 1.00 0.13 H new ATOM 0 HG2 LYS A 387 8.889 -8.150 -1.875 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.017 -8.571 -0.415 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.205 -10.527 -0.912 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.598 -10.863 -1.527 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.282 -10.322 -3.794 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.847 -9.763 -3.238 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 9.982 -11.983 -4.148 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.354 -12.011 -2.491 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.838 -12.553 -3.030 1.00 1.12 H new ATOM 793 N GLU A 388 3.926 -9.598 -3.237 1.00 0.09 N ATOM 794 CA GLU A 388 3.057 -10.469 -4.019 1.00 0.10 C ATOM 795 C GLU A 388 3.009 -10.146 -5.493 1.00 0.10 C ATOM 796 O GLU A 388 3.303 -9.036 -5.924 1.00 0.10 O ATOM 797 CB GLU A 388 1.655 -10.348 -3.480 1.00 0.09 C ATOM 798 CG GLU A 388 1.348 -11.308 -2.409 1.00 0.15 C ATOM 799 CD GLU A 388 1.394 -12.749 -2.862 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.454 -13.185 -3.557 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.357 -13.456 -2.510 1.00 0.71 O1- ATOM 0 H GLU A 388 3.732 -8.603 -3.346 1.00 0.09 H new ATOM 0 HA GLU A 388 3.469 -11.474 -3.926 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.507 -9.336 -3.102 1.00 0.09 H new ATOM 0 HB3 GLU A 388 0.948 -10.490 -4.297 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.057 -11.169 -1.593 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.357 -11.092 -2.011 1.00 0.15 H new ATOM 808 N GLU A 389 2.597 -11.156 -6.233 1.00 0.10 N ATOM 809 CA GLU A 389 2.330 -11.078 -7.643 1.00 0.11 C ATOM 810 C GLU A 389 1.072 -11.851 -7.939 1.00 0.16 C ATOM 811 O GLU A 389 0.958 -13.016 -7.549 1.00 0.28 O ATOM 812 CB GLU A 389 3.465 -11.652 -8.458 1.00 0.14 C ATOM 813 CG GLU A 389 4.650 -10.736 -8.555 1.00 0.16 C ATOM 814 CD GLU A 389 5.693 -11.225 -9.540 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.281 -12.307 -9.316 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 5.916 -10.535 -10.560 1.00 0.38 O ATOM 0 H GLU A 389 2.435 -12.086 -5.847 1.00 0.10 H new ATOM 0 HA GLU A 389 2.217 -10.028 -7.914 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.780 -12.596 -8.014 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.105 -11.876 -9.462 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.312 -9.744 -8.854 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.106 -10.635 -7.570 1.00 0.16 H new ATOM 823 N ASP A 390 0.141 -11.206 -8.612 1.00 0.12 N ATOM 824 CA ASP A 390 -1.140 -11.817 -8.932 1.00 0.15 C ATOM 825 C ASP A 390 -1.808 -12.268 -7.631 1.00 0.16 C ATOM 826 O ASP A 390 -2.305 -13.384 -7.477 1.00 0.25 O ATOM 827 CB ASP A 390 -0.890 -12.952 -9.917 1.00 0.19 C ATOM 828 CG ASP A 390 -2.141 -13.732 -10.286 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.000 -13.181 -11.006 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.260 -14.907 -9.876 1.00 0.36 O1- ATOM 0 H ASP A 390 0.246 -10.250 -8.952 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.826 -11.118 -9.410 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.448 -12.542 -10.825 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.159 -13.638 -9.489 1.00 0.19 H new ATOM 835 N ALA A 391 -1.748 -11.344 -6.683 1.00 0.12 N ATOM 836 CA ALA A 391 -2.343 -11.478 -5.370 1.00 0.11 C ATOM 837 C ALA A 391 -3.811 -11.161 -5.458 1.00 0.10 C ATOM 838 O ALA A 391 -4.270 -10.632 -6.452 1.00 0.11 O ATOM 839 CB ALA A 391 -1.695 -10.486 -4.442 1.00 0.10 C ATOM 0 H ALA A 391 -1.268 -10.454 -6.815 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.201 -12.494 -5.002 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.134 -10.576 -3.449 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.625 -10.686 -4.385 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.856 -9.476 -4.819 1.00 0.10 H new ATOM 845 N THR A 392 -4.557 -11.484 -4.443 1.00 0.11 N ATOM 846 CA THR A 392 -5.923 -11.026 -4.390 1.00 0.11 C ATOM 847 C THR A 392 -6.255 -10.428 -3.046 1.00 0.11 C ATOM 848 O THR A 392 -6.152 -11.069 -2.003 1.00 0.14 O ATOM 849 CB THR A 392 -6.940 -12.120 -4.743 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.551 -12.785 -5.951 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.319 -11.512 -4.934 1.00 0.15 C ATOM 0 H THR A 392 -4.255 -12.052 -3.652 1.00 0.11 H new ATOM 0 HA THR A 392 -6.002 -10.252 -5.153 1.00 0.11 H new ATOM 0 HB THR A 392 -6.969 -12.839 -3.924 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.206 -13.482 -6.166 1.00 0.17 H new ATOM 0 HG21 THR A 392 -9.032 -12.298 -5.184 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.630 -11.020 -4.013 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.286 -10.782 -5.742 1.00 0.15 H new ATOM 859 N LEU A 393 -6.642 -9.182 -3.103 1.00 0.10 N ATOM 860 CA LEU A 393 -7.020 -8.425 -1.927 1.00 0.12 C ATOM 861 C LEU A 393 -8.428 -8.713 -1.501 1.00 0.15 C ATOM 862 O LEU A 393 -9.380 -8.061 -1.913 1.00 0.16 O ATOM 863 CB LEU A 393 -6.865 -6.965 -2.236 1.00 0.11 C ATOM 864 CG LEU A 393 -5.472 -6.383 -2.090 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.448 -7.358 -2.590 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.385 -5.125 -2.899 1.00 0.51 C ATOM 0 H LEU A 393 -6.706 -8.653 -3.973 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.372 -8.716 -1.100 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.199 -6.796 -3.260 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.537 -6.406 -1.585 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.279 -6.172 -1.038 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.452 -6.928 -2.480 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.511 -8.280 -2.012 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.635 -7.575 -3.642 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.387 -4.698 -2.801 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.582 -5.352 -3.947 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.123 -4.409 -2.538 1.00 0.51 H new ATOM 878 N LYS A 394 -8.527 -9.704 -0.690 1.00 0.18 N ATOM 879 CA LYS A 394 -9.773 -10.118 -0.114 1.00 0.23 C ATOM 880 C LYS A 394 -9.944 -9.668 1.300 1.00 0.29 C ATOM 881 O LYS A 394 -9.088 -8.987 1.873 1.00 0.29 O ATOM 882 CB LYS A 394 -9.775 -11.582 -0.175 1.00 0.25 C ATOM 883 CG LYS A 394 -9.749 -12.024 -1.560 1.00 0.23 C ATOM 884 CD LYS A 394 -10.242 -13.375 -1.624 1.00 0.27 C ATOM 885 CE LYS A 394 -9.589 -13.979 -2.782 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.869 -15.432 -2.936 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.730 -10.269 -0.396 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.599 -9.669 -0.666 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.910 -11.977 0.357 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.662 -11.973 0.323 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.363 -11.368 -2.177 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.734 -11.973 -1.954 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -10.005 -13.922 -0.711 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.326 -13.391 -1.733 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.913 -13.458 -3.683 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.512 -13.832 -2.698 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.375 -15.794 -3.776 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.536 -15.941 -2.093 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.893 -15.578 -3.047 1.00 0.33 H new ATOM 1015 N GLU A 404 -13.085 -8.885 -2.917 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.833 -9.295 -3.515 1.00 0.21 C ATOM 1017 C GLU A 404 -11.312 -8.209 -4.429 1.00 0.20 C ATOM 1018 O GLU A 404 -12.081 -7.446 -5.013 1.00 0.23 O ATOM 1019 CB GLU A 404 -12.003 -10.569 -4.330 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.226 -11.807 -3.489 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.540 -12.492 -3.779 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -14.567 -12.078 -3.205 1.00 0.53 O ATOM 1023 OE2 GLU A 404 -13.556 -13.442 -4.580 1.00 0.39 O1- ATOM 0 HA GLU A 404 -11.128 -9.478 -2.705 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.847 -10.445 -5.008 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.117 -10.715 -4.947 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.411 -12.509 -3.664 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.191 -11.534 -2.434 1.00 0.24 H new ATOM 1030 N SER A 405 -10.002 -8.112 -4.514 1.00 0.16 N ATOM 1031 CA SER A 405 -9.375 -7.268 -5.492 1.00 0.15 C ATOM 1032 C SER A 405 -8.112 -7.934 -5.947 1.00 0.13 C ATOM 1033 O SER A 405 -7.078 -7.838 -5.291 1.00 0.11 O ATOM 1034 CB SER A 405 -9.012 -5.913 -4.909 1.00 0.15 C ATOM 1035 OG SER A 405 -9.836 -5.580 -3.801 1.00 0.19 O ATOM 0 H SER A 405 -9.352 -8.614 -3.909 1.00 0.16 H new ATOM 0 HA SER A 405 -10.073 -7.116 -6.315 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.968 -5.919 -4.597 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.110 -5.147 -5.679 1.00 0.15 H new ATOM 0 HG SER A 405 -9.574 -4.703 -3.450 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.175 -8.625 -7.066 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.037 -9.319 -7.598 1.00 0.14 C ATOM 1043 C PRO A 406 -6.015 -8.334 -8.082 1.00 0.13 C ATOM 1044 O PRO A 406 -6.208 -7.619 -9.069 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.613 -10.187 -8.714 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.073 -10.165 -8.459 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.347 -8.816 -7.896 1.00 0.18 C ATOM 0 HA PRO A 406 -6.513 -9.932 -6.865 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.372 -9.785 -9.698 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.216 -11.201 -8.678 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.636 -10.331 -9.377 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.363 -10.950 -7.761 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.433 -8.054 -8.671 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.271 -8.789 -7.319 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.939 -8.322 -7.355 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.937 -7.325 -7.448 1.00 0.09 C ATOM 1057 C VAL A 407 -2.700 -7.971 -8.043 1.00 0.11 C ATOM 1058 O VAL A 407 -2.512 -9.174 -7.943 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.725 -6.792 -6.016 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.481 -7.270 -5.358 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.895 -5.303 -5.900 1.00 0.08 C ATOM 0 H VAL A 407 -4.735 -9.037 -6.657 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.200 -6.486 -8.092 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.540 -7.241 -5.449 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.413 -6.846 -4.356 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.500 -8.358 -5.291 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.616 -6.957 -5.943 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.732 -4.998 -4.866 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.172 -4.803 -6.545 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.905 -5.027 -6.205 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.883 -7.197 -8.692 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.743 -7.738 -9.402 1.00 0.12 C ATOM 1073 C ASN A 408 0.407 -7.867 -8.448 1.00 0.10 C ATOM 1074 O ASN A 408 1.331 -8.638 -8.680 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.391 -6.818 -10.550 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.494 -6.774 -11.575 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.467 -7.481 -12.583 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.496 -5.967 -11.301 1.00 0.38 N ATOM 0 H ASN A 408 -1.978 -6.183 -8.750 1.00 0.11 H new ATOM 0 HA ASN A 408 -0.976 -8.723 -9.806 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.205 -5.814 -10.170 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.532 -7.157 -11.020 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.293 -5.909 -11.936 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.476 -5.399 -10.454 1.00 0.38 H new ATOM 1085 N TYR A 409 0.322 -7.118 -7.362 1.00 0.08 N ATOM 1086 CA TYR A 409 1.421 -6.958 -6.425 1.00 0.06 C ATOM 1087 C TYR A 409 0.860 -6.502 -5.094 1.00 0.06 C ATOM 1088 O TYR A 409 0.146 -5.501 -5.022 1.00 0.06 O ATOM 1089 CB TYR A 409 2.481 -5.958 -6.929 1.00 0.06 C ATOM 1090 CG TYR A 409 3.171 -6.398 -8.200 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.635 -6.096 -9.442 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.335 -7.146 -8.157 1.00 0.11 C ATOM 1093 CE1 TYR A 409 3.235 -6.530 -10.603 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.945 -7.584 -9.314 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.392 -7.278 -10.534 1.00 0.17 C ATOM 1096 OH TYR A 409 4.999 -7.724 -11.686 1.00 0.27 O ATOM 0 H TYR A 409 -0.518 -6.600 -7.104 1.00 0.08 H new ATOM 0 HA TYR A 409 1.924 -7.919 -6.319 1.00 0.06 H new ATOM 0 HB2 TYR A 409 2.005 -4.992 -7.099 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.230 -5.812 -6.151 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.730 -5.509 -9.500 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.773 -7.391 -7.201 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.802 -6.286 -11.562 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.854 -8.165 -9.261 1.00 0.17 H new ATOM 0 HH TYR A 409 5.379 -8.614 -11.532 1.00 0.27 H new ATOM 1106 N TRP A 410 1.211 -7.213 -4.050 1.00 0.06 N ATOM 1107 CA TRP A 410 0.555 -7.073 -2.763 1.00 0.06 C ATOM 1108 C TRP A 410 1.531 -7.262 -1.631 1.00 0.06 C ATOM 1109 O TRP A 410 2.365 -8.155 -1.646 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.549 -8.114 -2.704 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.203 -8.307 -1.391 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.373 -9.482 -0.782 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.788 -7.320 -0.560 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.066 -9.308 0.397 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.329 -7.961 0.557 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.898 -5.960 -0.675 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.993 -7.247 1.570 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.537 -5.246 0.300 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.087 -5.883 1.420 1.00 0.07 C ATOM 0 H TRP A 410 1.959 -7.906 -4.064 1.00 0.06 H new ATOM 0 HA TRP A 410 0.143 -6.070 -2.656 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.315 -7.841 -3.430 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.134 -9.070 -3.023 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -1.019 -10.431 -1.158 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.339 -10.049 1.043 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.481 -5.453 -1.533 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.412 -7.749 2.430 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.619 -4.173 0.205 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.591 -5.296 2.174 1.00 0.07 H new ATOM 1130 N MET A 411 1.454 -6.383 -0.674 1.00 0.08 N ATOM 1131 CA MET A 411 2.231 -6.524 0.522 1.00 0.09 C ATOM 1132 C MET A 411 1.271 -6.701 1.684 1.00 0.12 C ATOM 1133 O MET A 411 0.764 -5.707 2.212 1.00 0.14 O ATOM 1134 CB MET A 411 3.098 -5.291 0.743 1.00 0.10 C ATOM 1135 CG MET A 411 3.818 -4.781 -0.497 1.00 0.09 C ATOM 1136 SD MET A 411 5.006 -5.955 -1.154 1.00 0.06 S ATOM 1137 CE MET A 411 5.893 -4.931 -2.319 1.00 0.06 C ATOM 0 H MET A 411 0.857 -5.556 -0.700 1.00 0.08 H new ATOM 0 HA MET A 411 2.892 -7.387 0.439 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.471 -4.490 1.136 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.840 -5.520 1.508 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.082 -4.548 -1.267 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.331 -3.851 -0.255 1.00 0.09 H new ATOM 0 HE1 MET A 411 6.948 -5.204 -2.314 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.485 -5.080 -3.319 1.00 0.06 H new ATOM 0 HE3 MET A 411 5.788 -3.884 -2.036 1.00 0.06 H new ATOM 1147 N PRO A 412 0.955 -7.954 2.063 1.00 0.13 N ATOM 1148 CA PRO A 412 0.030 -8.228 3.159 1.00 0.19 C ATOM 1149 C PRO A 412 0.595 -7.811 4.506 1.00 0.25 C ATOM 1150 O PRO A 412 1.001 -8.643 5.315 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.187 -9.741 3.104 1.00 0.24 C ATOM 1152 CG PRO A 412 1.021 -10.267 2.413 1.00 0.23 C ATOM 1153 CD PRO A 412 1.450 -9.195 1.447 1.00 0.16 C ATOM 0 HA PRO A 412 -0.896 -7.663 3.052 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.288 -10.164 4.104 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.097 -9.992 2.559 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.814 -10.487 3.128 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.797 -11.196 1.889 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.533 -9.177 1.324 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.019 -9.351 0.458 1.00 0.16 H new ATOM 1237 N VAL A 418 -4.136 -2.266 7.280 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.607 -1.703 6.041 1.00 0.26 C ATOM 1239 C VAL A 418 -2.940 -2.771 5.165 1.00 0.24 C ATOM 1240 O VAL A 418 -2.770 -3.919 5.574 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.569 -0.606 6.380 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.061 0.137 5.139 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.157 0.376 7.368 1.00 0.75 C ATOM 0 HA VAL A 418 -4.443 -1.283 5.482 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.709 -1.108 6.823 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.336 0.894 5.439 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.586 -0.571 4.460 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.899 0.617 4.634 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.419 1.144 7.600 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -4.042 0.842 6.935 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.434 -0.149 8.282 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.576 -2.375 3.958 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.779 -3.200 3.097 1.00 0.18 C ATOM 1255 C GLY A 419 -1.503 -2.482 1.816 1.00 0.14 C ATOM 1256 O GLY A 419 -2.418 -2.088 1.105 1.00 0.15 O ATOM 0 H GLY A 419 -2.829 -1.472 3.557 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.841 -3.455 3.590 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.298 -4.137 2.894 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.246 -2.299 1.524 1.00 0.10 N ATOM 1261 CA ILE A 420 0.141 -1.599 0.332 1.00 0.08 C ATOM 1262 C ILE A 420 0.094 -2.540 -0.864 1.00 0.08 C ATOM 1263 O ILE A 420 0.423 -3.723 -0.746 1.00 0.09 O ATOM 1264 CB ILE A 420 1.568 -1.037 0.459 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.608 0.246 1.299 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.156 -0.792 -0.911 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.722 0.008 2.787 1.00 0.29 C ATOM 0 H ILE A 420 0.531 -2.626 2.098 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.557 -0.774 0.190 1.00 0.08 H new ATOM 0 HB ILE A 420 2.170 -1.782 0.979 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.452 0.854 0.974 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.705 0.824 1.103 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.166 -0.394 -0.808 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.190 -1.730 -1.465 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.537 -0.075 -1.450 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.744 0.965 3.308 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.865 -0.572 3.129 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.639 -0.541 2.998 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.322 -2.014 -2.008 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.527 -2.844 -3.182 1.00 0.06 C ATOM 1281 C HIS A 421 -0.534 -2.016 -4.450 1.00 0.07 C ATOM 1282 O HIS A 421 -0.733 -0.808 -4.407 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.860 -3.546 -3.049 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.034 -2.641 -3.006 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.561 -1.994 -4.094 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.787 -2.292 -1.950 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.598 -1.276 -3.670 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.784 -1.423 -2.372 1.00 0.08 N ATOM 0 H HIS A 421 -0.522 -1.023 -2.146 1.00 0.07 H new ATOM 0 HA HIS A 421 0.291 -3.562 -3.247 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.979 -4.234 -3.886 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.849 -4.149 -2.141 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.220 -2.052 -5.054 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.640 -2.633 -0.936 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.209 -0.653 -4.306 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.345 -2.682 -5.578 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.488 -2.045 -6.868 1.00 0.07 C ATOM 1298 C ASP A 422 -1.964 -2.076 -7.246 1.00 0.11 C ATOM 1299 O ASP A 422 -2.675 -2.994 -6.881 1.00 0.20 O ATOM 1300 CB ASP A 422 0.354 -2.773 -7.916 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.433 -3.819 -8.687 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.859 -4.819 -8.082 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.639 -3.632 -9.904 1.00 0.80 O ATOM 0 H ASP A 422 -0.091 -3.669 -5.621 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.137 -1.014 -6.823 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.762 -2.044 -8.616 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.201 -3.252 -7.425 1.00 0.09 H new ATOM 1308 N SER A 423 -2.438 -1.064 -7.926 1.00 0.09 N ATOM 1309 CA SER A 423 -3.860 -0.926 -8.160 1.00 0.11 C ATOM 1310 C SER A 423 -4.125 -0.580 -9.595 1.00 0.14 C ATOM 1311 O SER A 423 -4.050 0.573 -10.005 1.00 0.17 O ATOM 1312 CB SER A 423 -4.454 0.147 -7.240 1.00 0.14 C ATOM 1313 OG SER A 423 -5.805 0.403 -7.572 1.00 0.23 O ATOM 0 H SER A 423 -1.865 -0.322 -8.328 1.00 0.09 H new ATOM 0 HA SER A 423 -4.338 -1.880 -7.937 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.386 -0.179 -6.202 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.874 1.066 -7.324 1.00 0.14 H new ATOM 0 HG SER A 423 -6.165 1.089 -6.972 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.465 -1.607 -10.341 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.716 -1.475 -11.753 1.00 0.21 C ATOM 1321 C ASP A 424 -6.124 -0.928 -11.969 1.00 0.24 C ATOM 1322 O ASP A 424 -6.507 -0.542 -13.070 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.523 -2.837 -12.413 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.930 -2.877 -13.874 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -4.159 -2.397 -14.729 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -6.020 -3.408 -14.175 1.00 0.37 O ATOM 0 H ASP A 424 -4.575 -2.556 -9.983 1.00 0.16 H new ATOM 0 HA ASP A 424 -4.018 -0.773 -12.209 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.475 -3.124 -12.330 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -5.101 -3.580 -11.865 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.853 6.998 -10.833 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.268 8.198 -10.325 1.00 0.22 C ATOM 1388 C GLU A 428 -5.375 7.927 -9.138 1.00 0.21 C ATOM 1389 O GLU A 428 -5.504 6.924 -8.435 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.350 9.146 -9.879 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.392 8.491 -9.043 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.552 7.984 -9.870 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.861 8.602 -10.914 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -10.176 6.992 -9.474 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.674 8.630 -11.130 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -6.900 9.962 -9.314 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -7.822 9.588 -10.757 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.947 7.660 -8.496 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.759 9.200 -8.301 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.474 8.859 -8.947 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.591 8.916 -7.811 1.00 0.14 C ATOM 1403 C TYR A 429 -3.131 10.338 -7.745 1.00 0.17 C ATOM 1404 O TYR A 429 -2.631 10.884 -8.730 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.338 8.040 -7.875 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.509 6.673 -8.482 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.715 6.525 -9.844 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.448 5.536 -7.699 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.862 5.281 -10.412 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.595 4.283 -8.257 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.804 4.163 -9.614 1.00 0.25 C ATOM 1412 OH TYR A 429 -2.941 2.922 -10.182 1.00 0.33 O ATOM 0 H TYR A 429 -4.331 9.626 -9.604 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.151 8.546 -6.952 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.576 8.574 -8.443 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.953 7.919 -6.862 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.761 7.403 -10.471 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.283 5.630 -6.636 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.022 5.183 -11.476 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.547 3.402 -7.635 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.591 2.398 -9.669 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.326 10.946 -6.631 1.00 0.15 N ATOM 1423 CA GLY A 430 -3.007 12.342 -6.523 1.00 0.17 C ATOM 1424 C GLY A 430 -3.558 12.928 -5.273 1.00 0.17 C ATOM 1425 O GLY A 430 -3.751 12.207 -4.296 1.00 0.16 O ATOM 0 H GLY A 430 -3.700 10.515 -5.785 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.925 12.472 -6.542 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.407 12.876 -7.385 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.734 14.245 -5.271 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.476 14.886 -4.211 1.00 0.21 C ATOM 1431 C GLY A 431 -5.757 14.162 -3.914 1.00 0.19 C ATOM 1432 O GLY A 431 -6.195 13.302 -4.680 1.00 0.18 O ATOM 0 H GLY A 431 -3.374 14.877 -5.986 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.863 14.926 -3.310 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.697 15.916 -4.492 1.00 0.21 H new ATOM 1436 N ASP A 432 -6.409 14.610 -2.880 1.00 0.21 N ATOM 1437 CA ASP A 432 -7.235 13.743 -2.079 1.00 0.21 C ATOM 1438 C ASP A 432 -8.258 12.946 -2.880 1.00 0.18 C ATOM 1439 O ASP A 432 -9.308 13.417 -3.304 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.881 14.588 -0.999 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.810 15.672 -1.523 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -8.309 16.753 -1.912 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -10.040 15.468 -1.516 1.00 1.85 O1- ATOM 0 H ASP A 432 -6.386 15.580 -2.567 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.603 12.975 -1.634 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.444 13.935 -0.332 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -7.097 15.055 -0.402 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.859 11.692 -3.083 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.690 10.646 -3.635 1.00 0.13 C ATOM 1450 C LEU A 433 -9.288 9.825 -2.515 1.00 0.12 C ATOM 1451 O LEU A 433 -10.444 9.481 -2.538 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.876 9.706 -4.538 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.747 10.038 -5.998 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.243 11.405 -6.334 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.341 9.858 -6.421 1.00 1.08 C ATOM 0 H LEU A 433 -6.916 11.375 -2.858 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.473 11.122 -4.226 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.870 9.640 -4.124 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.317 8.712 -4.463 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.386 9.350 -6.551 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -8.122 11.583 -7.402 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.297 11.485 -6.070 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.672 12.147 -5.776 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.246 10.098 -7.480 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.699 10.519 -5.840 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -6.041 8.823 -6.256 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.463 9.506 -1.535 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.826 8.566 -0.474 1.00 0.10 C ATOM 1469 C TRP A 434 -10.144 8.924 0.195 1.00 0.11 C ATOM 1470 O TRP A 434 -10.839 8.059 0.709 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.692 8.500 0.553 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.438 9.808 1.196 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.598 10.786 0.766 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.051 10.284 2.385 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.720 11.888 1.579 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.587 11.588 2.596 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.966 9.738 3.282 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -8.015 12.352 3.669 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.382 10.495 4.342 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.913 11.792 4.529 1.00 0.16 C ATOM 0 H TRP A 434 -7.521 9.887 -1.446 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.969 7.585 -0.927 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.940 7.764 1.318 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.781 8.156 0.063 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.936 10.709 -0.084 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.244 12.780 1.447 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.340 8.735 3.143 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.650 13.357 3.820 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.087 10.079 5.047 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.267 12.366 5.372 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.482 10.203 0.181 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.688 10.670 0.825 1.00 0.14 C ATOM 1493 C LYS A 435 -12.877 10.676 -0.110 1.00 0.17 C ATOM 1494 O LYS A 435 -14.017 10.497 0.305 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.448 12.064 1.356 1.00 0.15 C ATOM 1496 CG LYS A 435 -10.144 12.620 0.876 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.854 13.961 1.455 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.444 14.134 2.826 1.00 0.18 C ATOM 1499 NZ LYS A 435 -10.142 15.469 3.403 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.933 10.934 -0.272 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.925 9.982 1.637 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.261 12.719 1.042 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.457 12.045 2.446 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.340 11.932 1.138 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -10.161 12.692 -0.211 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.775 14.106 1.506 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -10.248 14.732 0.793 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.524 13.998 2.774 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -10.057 13.359 3.487 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.569 15.543 4.349 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -9.112 15.590 3.478 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.534 16.210 2.787 1.00 0.22 H new ATOM 1513 N THR A 436 -12.594 10.928 -1.359 1.00 0.16 N ATOM 1514 CA THR A 436 -13.630 11.047 -2.373 1.00 0.19 C ATOM 1515 C THR A 436 -13.854 9.720 -3.085 1.00 0.19 C ATOM 1516 O THR A 436 -14.986 9.294 -3.322 1.00 0.22 O ATOM 1517 CB THR A 436 -13.224 12.136 -3.382 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.338 11.614 -4.382 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.505 13.236 -2.643 1.00 0.21 C ATOM 0 H THR A 436 -11.646 11.058 -1.711 1.00 0.16 H new ATOM 0 HA THR A 436 -14.567 11.325 -1.891 1.00 0.19 H new ATOM 0 HB THR A 436 -14.126 12.507 -3.869 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.794 11.602 -5.249 1.00 0.25 H new ATOM 0 HG21 THR A 436 -12.211 14.015 -3.346 1.00 0.21 H new ATOM 0 HG22 THR A 436 -13.167 13.660 -1.888 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.616 12.829 -2.160 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.755 9.074 -3.404 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.767 7.799 -4.095 1.00 0.20 C ATOM 1529 C ARG A 437 -12.867 6.679 -3.073 1.00 0.20 C ATOM 1530 O ARG A 437 -13.271 5.556 -3.377 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.481 7.707 -4.913 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.009 9.039 -5.336 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.516 9.043 -6.742 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.620 9.110 -7.694 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.767 10.063 -8.614 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.868 11.036 -8.725 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.818 10.043 -9.423 1.00 1.47 N ATOM 0 H ARG A 437 -11.819 9.419 -3.191 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.623 7.710 -4.764 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.707 7.217 -4.322 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.652 7.085 -5.792 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.821 9.759 -5.236 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.209 9.367 -4.672 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.851 9.893 -6.893 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.929 8.143 -6.926 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.328 8.377 -7.652 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.059 11.056 -8.104 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.987 11.762 -9.431 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.511 9.299 -9.340 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.933 10.771 -10.128 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.496 7.044 -1.838 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.818 6.266 -0.665 1.00 0.18 C ATOM 1553 C GLY A 438 -12.405 4.812 -0.725 1.00 0.21 C ATOM 1554 O GLY A 438 -13.205 3.944 -0.389 1.00 0.24 O ATOM 0 H GLY A 438 -11.964 7.891 -1.639 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.341 6.727 0.200 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.894 6.315 -0.500 1.00 0.18 H new ATOM 1558 N SER A 439 -11.180 4.510 -1.122 1.00 0.22 N ATOM 1559 CA SER A 439 -10.840 3.120 -1.351 1.00 0.27 C ATOM 1560 C SER A 439 -10.466 2.410 -0.053 1.00 0.27 C ATOM 1561 O SER A 439 -9.406 2.657 0.526 1.00 0.27 O ATOM 1562 CB SER A 439 -9.699 3.025 -2.361 1.00 0.31 C ATOM 1563 OG SER A 439 -8.674 3.951 -2.046 1.00 1.01 O ATOM 0 H SER A 439 -10.430 5.182 -1.287 1.00 0.22 H new ATOM 0 HA SER A 439 -11.720 2.619 -1.754 1.00 0.27 H new ATOM 0 HB2 SER A 439 -9.293 2.013 -2.365 1.00 0.31 H new ATOM 0 HB3 SER A 439 -10.077 3.221 -3.364 1.00 0.31 H new ATOM 0 HG SER A 439 -8.487 3.918 -1.085 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.361 1.503 0.356 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.209 0.657 1.546 1.00 0.32 C ATOM 1571 C HIS A 440 -10.462 1.345 2.692 1.00 0.28 C ATOM 1572 O HIS A 440 -10.911 2.367 3.217 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.521 -0.661 1.195 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.330 -1.591 0.350 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.611 -1.980 0.672 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -11.026 -2.224 -0.806 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -13.057 -2.810 -0.247 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.119 -2.974 -1.158 1.00 0.48 N ATOM 0 H HIS A 440 -12.233 1.333 -0.144 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.221 0.460 1.900 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.589 -0.440 0.675 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.256 -1.173 2.120 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.096 -2.152 -1.350 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -14.030 -3.279 -0.253 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.194 -3.562 -1.988 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.311 0.782 3.060 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.579 1.269 4.212 1.00 0.22 C ATOM 1589 C GLY A 441 -7.084 1.407 3.975 1.00 0.17 C ATOM 1590 O GLY A 441 -6.398 2.072 4.753 1.00 0.26 O ATOM 0 H GLY A 441 -8.875 -0.004 2.578 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -8.982 2.239 4.504 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.744 0.590 5.049 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.560 0.781 2.919 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.128 0.794 2.683 1.00 0.15 C ATOM 1596 C CYS A 442 -4.726 1.757 1.575 1.00 0.13 C ATOM 1597 O CYS A 442 -5.476 2.649 1.204 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.610 -0.602 2.347 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.312 -1.304 0.840 1.00 0.35 S ATOM 0 H CYS A 442 -7.104 0.267 2.226 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.675 1.138 3.613 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.526 -0.561 2.245 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.827 -1.269 3.181 1.00 0.24 H new ATOM 0 HG CYS A 442 -4.979 -2.557 0.749 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.484 1.612 1.125 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.904 2.501 0.133 1.00 0.07 C ATOM 1606 C ILE A 443 -3.031 1.908 -1.261 1.00 0.08 C ATOM 1607 O ILE A 443 -2.660 0.758 -1.491 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.408 2.776 0.429 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.215 3.702 1.642 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.717 3.383 -0.791 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.612 3.112 2.982 1.00 0.11 C ATOM 0 H ILE A 443 -2.854 0.874 1.440 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.454 3.441 0.182 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.954 1.813 0.664 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.166 3.996 1.690 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.794 4.611 1.479 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.332 3.568 -0.560 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.788 2.692 -1.631 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.202 4.323 -1.053 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.437 3.846 3.769 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.669 2.845 2.963 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.016 2.220 3.178 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.546 2.703 -2.184 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.717 2.258 -3.560 1.00 0.08 C ATOM 1625 C ASN A 444 -2.584 2.779 -4.428 1.00 0.07 C ATOM 1626 O ASN A 444 -2.628 3.903 -4.926 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.067 2.702 -4.120 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.217 1.776 -3.748 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.169 1.618 -4.514 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.135 1.140 -2.588 1.00 0.15 N ATOM 0 H ASN A 444 -3.853 3.659 -2.007 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.693 1.168 -3.568 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.288 3.706 -3.758 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -4.998 2.763 -5.206 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.874 0.496 -2.306 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.333 1.294 -1.978 1.00 0.15 H new ATOM 1637 N THR A 445 -1.563 1.962 -4.567 1.00 0.08 N ATOM 1638 CA THR A 445 -0.384 2.282 -5.326 1.00 0.08 C ATOM 1639 C THR A 445 -0.507 1.885 -6.791 1.00 0.08 C ATOM 1640 O THR A 445 -1.100 0.881 -7.121 1.00 0.10 O ATOM 1641 CB THR A 445 0.789 1.555 -4.681 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.682 1.617 -3.252 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.072 2.172 -5.096 1.00 0.06 C ATOM 0 H THR A 445 -1.534 1.035 -4.143 1.00 0.08 H new ATOM 0 HA THR A 445 -0.237 3.362 -5.314 1.00 0.08 H new ATOM 0 HB THR A 445 0.766 0.515 -5.006 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.553 1.851 -2.869 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.900 1.641 -4.626 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.171 2.112 -6.180 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.090 3.217 -4.787 1.00 0.06 H new ATOM 1651 N PRO A 446 0.033 2.723 -7.681 1.00 0.08 N ATOM 1652 CA PRO A 446 0.097 2.463 -9.126 1.00 0.10 C ATOM 1653 C PRO A 446 0.646 1.103 -9.469 1.00 0.14 C ATOM 1654 O PRO A 446 1.553 0.587 -8.812 1.00 0.24 O ATOM 1655 CB PRO A 446 1.035 3.556 -9.624 1.00 0.10 C ATOM 1656 CG PRO A 446 0.842 4.669 -8.670 1.00 0.08 C ATOM 1657 CD PRO A 446 0.591 4.034 -7.342 1.00 0.07 C ATOM 0 HA PRO A 446 -0.894 2.472 -9.580 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.071 3.217 -9.634 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.788 3.858 -10.642 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.723 5.310 -8.636 1.00 0.08 H new ATOM 0 HG3 PRO A 446 0.002 5.297 -8.967 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.510 3.940 -6.764 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.104 4.622 -6.743 1.00 0.07 H new ATOM 1665 N PRO A 447 0.108 0.516 -10.534 1.00 0.12 N ATOM 1666 CA PRO A 447 0.455 -0.827 -10.950 1.00 0.12 C ATOM 1667 C PRO A 447 1.910 -0.936 -11.393 1.00 0.14 C ATOM 1668 O PRO A 447 2.532 -1.995 -11.287 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.479 -1.083 -12.122 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.568 -0.108 -11.950 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.892 1.106 -11.435 1.00 0.13 C ATOM 0 HA PRO A 447 0.350 -1.547 -10.139 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.032 -0.942 -13.074 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.857 -2.105 -12.111 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.078 0.090 -12.893 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.321 -0.471 -11.251 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.433 1.691 -12.232 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.580 1.768 -10.909 1.00 0.13 H new ATOM 1679 N SER A 448 2.455 0.175 -11.865 1.00 0.12 N ATOM 1680 CA SER A 448 3.806 0.209 -12.392 1.00 0.11 C ATOM 1681 C SER A 448 4.861 0.192 -11.283 1.00 0.09 C ATOM 1682 O SER A 448 6.009 -0.162 -11.503 1.00 0.09 O ATOM 1683 CB SER A 448 3.984 1.470 -13.231 1.00 0.14 C ATOM 1684 OG SER A 448 2.922 1.623 -14.159 1.00 1.10 O ATOM 0 H SER A 448 1.973 1.074 -11.892 1.00 0.12 H new ATOM 0 HA SER A 448 3.948 -0.685 -12.999 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.028 2.341 -12.578 1.00 0.14 H new ATOM 0 HB3 SER A 448 4.933 1.424 -13.765 1.00 0.14 H new ATOM 0 HG SER A 448 3.060 2.440 -14.682 1.00 1.10 H new ATOM 1690 N VAL A 449 4.479 0.633 -10.092 1.00 0.07 N ATOM 1691 CA VAL A 449 5.448 0.882 -9.041 1.00 0.06 C ATOM 1692 C VAL A 449 5.515 -0.225 -8.031 1.00 0.05 C ATOM 1693 O VAL A 449 6.582 -0.708 -7.714 1.00 0.05 O ATOM 1694 CB VAL A 449 5.137 2.208 -8.372 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.192 3.287 -9.414 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.790 2.157 -7.715 1.00 0.06 C ATOM 0 H VAL A 449 3.511 0.824 -9.833 1.00 0.07 H new ATOM 0 HA VAL A 449 6.433 0.925 -9.505 1.00 0.06 H new ATOM 0 HB VAL A 449 5.870 2.419 -7.594 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.971 4.250 -8.953 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.188 3.316 -9.855 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.457 3.080 -10.192 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.581 3.115 -7.239 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.027 1.950 -8.465 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.782 1.369 -6.962 1.00 0.06 H new ATOM 1706 N MET A 450 4.395 -0.655 -7.538 1.00 0.05 N ATOM 1707 CA MET A 450 4.403 -1.694 -6.536 1.00 0.05 C ATOM 1708 C MET A 450 4.899 -3.000 -7.133 1.00 0.05 C ATOM 1709 O MET A 450 5.062 -3.992 -6.427 1.00 0.06 O ATOM 1710 CB MET A 450 3.039 -1.832 -5.879 1.00 0.07 C ATOM 1711 CG MET A 450 2.990 -1.345 -4.435 1.00 0.06 C ATOM 1712 SD MET A 450 3.277 -2.654 -3.223 1.00 0.06 S ATOM 1713 CE MET A 450 2.957 -4.110 -4.191 1.00 0.05 C ATOM 0 H MET A 450 3.471 -0.313 -7.803 1.00 0.05 H new ATOM 0 HA MET A 450 5.099 -1.415 -5.745 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.308 -1.274 -6.464 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.738 -2.879 -5.908 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.737 -0.564 -4.298 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.017 -0.892 -4.245 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.815 -4.964 -3.528 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.057 -3.960 -4.787 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.803 -4.301 -4.852 1.00 0.05 H new ATOM 1723 N LYS A 451 5.186 -2.990 -8.415 1.00 0.05 N ATOM 1724 CA LYS A 451 5.792 -4.139 -9.030 1.00 0.05 C ATOM 1725 C LYS A 451 7.278 -4.101 -8.736 1.00 0.05 C ATOM 1726 O LYS A 451 7.910 -5.105 -8.400 1.00 0.06 O ATOM 1727 CB LYS A 451 5.557 -4.120 -10.520 1.00 0.06 C ATOM 1728 CG LYS A 451 6.303 -3.038 -11.162 1.00 0.06 C ATOM 1729 CD LYS A 451 6.080 -3.011 -12.625 1.00 0.08 C ATOM 1730 CE LYS A 451 7.128 -2.164 -13.268 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.411 -2.891 -13.463 1.00 0.92 N1+ ATOM 0 H LYS A 451 5.010 -2.206 -9.043 1.00 0.05 H new ATOM 0 HA LYS A 451 5.352 -5.053 -8.631 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.856 -5.076 -10.950 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.492 -4.000 -10.721 1.00 0.06 H new ATOM 0 HG2 LYS A 451 6.003 -2.083 -10.731 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.367 -3.159 -10.958 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.116 -4.023 -13.029 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.089 -2.614 -12.846 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.764 -1.812 -14.233 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.305 -1.282 -12.653 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.166 -2.412 -12.931 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.312 -3.868 -13.120 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.654 -2.902 -14.474 1.00 0.92 H new ATOM 1745 N GLU A 452 7.782 -2.867 -8.802 1.00 0.05 N ATOM 1746 CA GLU A 452 9.154 -2.536 -8.628 1.00 0.05 C ATOM 1747 C GLU A 452 9.513 -2.949 -7.259 1.00 0.05 C ATOM 1748 O GLU A 452 10.558 -3.509 -6.975 1.00 0.06 O ATOM 1749 CB GLU A 452 9.250 -1.038 -8.695 1.00 0.05 C ATOM 1750 CG GLU A 452 8.818 -0.461 -10.000 1.00 0.07 C ATOM 1751 CD GLU A 452 9.963 -0.136 -10.929 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.393 -1.031 -11.685 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.440 1.020 -10.916 1.00 0.25 O1- ATOM 0 H GLU A 452 7.199 -2.051 -8.988 1.00 0.05 H new ATOM 0 HA GLU A 452 9.796 -3.009 -9.372 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.640 -0.609 -7.900 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.281 -0.741 -8.501 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.149 -1.165 -10.495 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.244 0.447 -9.814 1.00 0.07 H new ATOM 1760 N LEU A 453 8.592 -2.554 -6.425 1.00 0.04 N ATOM 1761 CA LEU A 453 8.524 -2.889 -5.062 1.00 0.04 C ATOM 1762 C LEU A 453 8.709 -4.340 -4.819 1.00 0.05 C ATOM 1763 O LEU A 453 9.689 -4.731 -4.219 1.00 0.05 O ATOM 1764 CB LEU A 453 7.157 -2.495 -4.583 1.00 0.04 C ATOM 1765 CG LEU A 453 7.155 -1.887 -3.245 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.332 -1.016 -3.115 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.942 -1.079 -3.021 1.00 0.05 C ATOM 0 H LEU A 453 7.825 -1.949 -6.717 1.00 0.04 H new ATOM 0 HA LEU A 453 9.324 -2.371 -4.534 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.721 -1.792 -5.293 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.516 -3.377 -4.573 1.00 0.04 H new ATOM 0 HG LEU A 453 7.178 -2.688 -2.506 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.340 -0.560 -2.125 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.238 -1.607 -3.249 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.292 -0.235 -3.874 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.974 -0.644 -2.022 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.894 -0.281 -3.762 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.060 -1.713 -3.113 1.00 0.05 H new ATOM 1779 N PHE A 454 7.766 -5.125 -5.261 1.00 0.05 N ATOM 1780 CA PHE A 454 7.881 -6.583 -5.142 1.00 0.06 C ATOM 1781 C PHE A 454 9.282 -7.025 -5.581 1.00 0.07 C ATOM 1782 O PHE A 454 9.810 -8.049 -5.137 1.00 0.09 O ATOM 1783 CB PHE A 454 6.793 -7.290 -5.975 1.00 0.07 C ATOM 1784 CG PHE A 454 6.939 -8.797 -6.066 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.862 -9.348 -6.944 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.165 -9.667 -5.290 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.024 -10.713 -7.045 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.329 -11.035 -5.398 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.258 -11.557 -6.272 1.00 0.12 C ATOM 0 H PHE A 454 6.908 -4.799 -5.707 1.00 0.05 H new ATOM 0 HA PHE A 454 7.732 -6.866 -4.100 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.819 -7.059 -5.545 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.802 -6.877 -6.984 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.464 -8.696 -7.559 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.435 -9.267 -4.602 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.752 -11.121 -7.731 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.726 -11.698 -4.795 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.385 -12.627 -6.351 1.00 0.12 H new ATOM 1799 N GLY A 455 9.902 -6.178 -6.397 1.00 0.06 N ATOM 1800 CA GLY A 455 11.188 -6.489 -6.959 1.00 0.08 C ATOM 1801 C GLY A 455 12.320 -6.026 -6.066 1.00 0.08 C ATOM 1802 O GLY A 455 13.421 -6.574 -6.124 1.00 0.13 O ATOM 0 H GLY A 455 9.524 -5.273 -6.677 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.266 -7.565 -7.115 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.281 -6.017 -7.937 1.00 0.08 H new ATOM 1806 N MET A 456 12.064 -4.999 -5.251 1.00 0.06 N ATOM 1807 CA MET A 456 13.059 -4.520 -4.316 1.00 0.05 C ATOM 1808 C MET A 456 12.815 -4.962 -2.905 1.00 0.05 C ATOM 1809 O MET A 456 13.749 -5.343 -2.203 1.00 0.06 O ATOM 1810 CB MET A 456 13.182 -3.021 -4.336 1.00 0.05 C ATOM 1811 CG MET A 456 11.898 -2.310 -4.481 1.00 0.04 C ATOM 1812 SD MET A 456 11.957 -1.105 -5.797 1.00 0.05 S ATOM 1813 CE MET A 456 10.494 -0.241 -5.344 1.00 0.04 C ATOM 0 H MET A 456 11.179 -4.493 -5.227 1.00 0.06 H new ATOM 0 HA MET A 456 13.991 -4.969 -4.658 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.663 -2.695 -3.414 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.839 -2.733 -5.157 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.104 -3.029 -4.681 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.649 -1.813 -3.543 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.700 -0.473 -6.053 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.187 -0.545 -4.343 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.687 0.832 -5.354 1.00 0.04 H new ATOM 1823 N VAL A 457 11.589 -4.883 -2.468 1.00 0.05 N ATOM 1824 CA VAL A 457 11.280 -5.290 -1.126 1.00 0.05 C ATOM 1825 C VAL A 457 11.311 -6.778 -0.992 1.00 0.07 C ATOM 1826 O VAL A 457 11.069 -7.534 -1.936 1.00 0.08 O ATOM 1827 CB VAL A 457 9.961 -4.715 -0.585 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.218 -3.915 -1.630 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.083 -5.805 0.003 1.00 0.05 C ATOM 0 H VAL A 457 10.796 -4.545 -3.014 1.00 0.05 H new ATOM 0 HA VAL A 457 12.066 -4.863 -0.503 1.00 0.05 H new ATOM 0 HB VAL A 457 10.221 -4.026 0.219 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.293 -3.529 -1.203 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.840 -3.083 -1.962 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.985 -4.555 -2.481 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.158 -5.365 0.377 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.850 -6.540 -0.768 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.610 -6.294 0.823 1.00 0.05 H new ATOM 1839 N GLU A 458 11.647 -7.173 0.199 1.00 0.08 N ATOM 1840 CA GLU A 458 11.791 -8.541 0.526 1.00 0.10 C ATOM 1841 C GLU A 458 10.833 -8.867 1.640 1.00 0.09 C ATOM 1842 O GLU A 458 10.375 -7.976 2.349 1.00 0.10 O ATOM 1843 CB GLU A 458 13.225 -8.781 0.973 1.00 0.13 C ATOM 1844 CG GLU A 458 14.050 -7.520 0.947 1.00 0.20 C ATOM 1845 CD GLU A 458 15.352 -7.630 1.705 1.00 0.27 C ATOM 1846 OE1 GLU A 458 15.343 -7.450 2.940 1.00 0.46 O ATOM 1847 OE2 GLU A 458 16.394 -7.873 1.064 1.00 0.48 O1- ATOM 0 H GLU A 458 11.829 -6.537 0.975 1.00 0.08 H new ATOM 0 HA GLU A 458 11.572 -9.176 -0.333 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.225 -9.192 1.983 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.685 -9.527 0.325 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.264 -7.258 -0.089 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.463 -6.704 1.368 1.00 0.20 H new ATOM 1854 N LYS A 459 10.482 -10.133 1.754 1.00 0.11 N ATOM 1855 CA LYS A 459 9.727 -10.585 2.893 1.00 0.13 C ATOM 1856 C LYS A 459 10.511 -10.299 4.140 1.00 0.15 C ATOM 1857 O LYS A 459 11.448 -11.017 4.492 1.00 0.18 O ATOM 1858 CB LYS A 459 9.390 -12.057 2.810 1.00 0.16 C ATOM 1859 CG LYS A 459 8.476 -12.346 1.654 1.00 0.22 C ATOM 1860 CD LYS A 459 9.144 -13.211 0.619 1.00 0.70 C ATOM 1861 CE LYS A 459 9.199 -14.664 1.058 1.00 0.40 C ATOM 1862 NZ LYS A 459 9.751 -15.548 -0.001 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.708 -10.858 1.074 1.00 0.11 H new ATOM 0 HA LYS A 459 8.780 -10.046 2.910 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.307 -12.636 2.704 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.917 -12.376 3.739 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.576 -12.842 2.017 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.161 -11.408 1.196 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.603 -13.135 -0.324 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.155 -12.847 0.437 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.812 -14.748 1.955 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.197 -15.000 1.324 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.770 -16.530 0.342 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.152 -15.489 -0.849 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 10.717 -15.245 -0.237 1.00 0.99 H new ATOM 1876 N GLY A 460 10.100 -9.247 4.795 1.00 0.15 N ATOM 1877 CA GLY A 460 10.797 -8.780 5.968 1.00 0.19 C ATOM 1878 C GLY A 460 11.082 -7.299 5.889 1.00 0.15 C ATOM 1879 O GLY A 460 11.482 -6.682 6.872 1.00 0.17 O ATOM 0 H GLY A 460 9.283 -8.694 4.537 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.200 -8.990 6.855 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.734 -9.327 6.078 1.00 0.19 H new ATOM 1883 N THR A 461 10.884 -6.735 4.708 1.00 0.12 N ATOM 1884 CA THR A 461 10.937 -5.309 4.517 1.00 0.07 C ATOM 1885 C THR A 461 9.773 -4.674 5.265 1.00 0.08 C ATOM 1886 O THR A 461 8.738 -5.303 5.458 1.00 0.13 O ATOM 1887 CB THR A 461 10.871 -4.982 3.002 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.104 -5.328 2.358 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.549 -3.523 2.753 1.00 0.05 C ATOM 0 H THR A 461 10.682 -7.261 3.858 1.00 0.12 H new ATOM 0 HA THR A 461 11.872 -4.907 4.908 1.00 0.07 H new ATOM 0 HB THR A 461 10.064 -5.579 2.578 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.334 -4.640 1.699 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.512 -3.337 1.680 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.583 -3.283 3.196 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.320 -2.898 3.204 1.00 0.05 H new ATOM 1897 N PRO A 462 9.925 -3.453 5.754 1.00 0.09 N ATOM 1898 CA PRO A 462 8.870 -2.764 6.413 1.00 0.14 C ATOM 1899 C PRO A 462 8.129 -1.896 5.428 1.00 0.13 C ATOM 1900 O PRO A 462 8.638 -1.578 4.354 1.00 0.18 O ATOM 1901 CB PRO A 462 9.616 -1.913 7.447 1.00 0.18 C ATOM 1902 CG PRO A 462 11.070 -2.074 7.117 1.00 0.13 C ATOM 1903 CD PRO A 462 11.109 -2.613 5.739 1.00 0.09 C ATOM 0 HA PRO A 462 8.123 -3.419 6.861 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.313 -0.868 7.389 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.403 -2.250 8.461 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.594 -1.120 7.180 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.558 -2.752 7.817 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.052 -1.828 4.984 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.018 -3.180 5.541 1.00 0.09 H new ATOM 1911 N VAL A 463 6.940 -1.521 5.773 1.00 0.09 N ATOM 1912 CA VAL A 463 6.235 -0.553 4.983 1.00 0.09 C ATOM 1913 C VAL A 463 5.861 0.572 5.890 1.00 0.08 C ATOM 1914 O VAL A 463 5.711 0.397 7.089 1.00 0.10 O ATOM 1915 CB VAL A 463 4.961 -1.083 4.310 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.200 -2.445 3.695 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.831 -1.104 5.310 1.00 0.54 C ATOM 0 H VAL A 463 6.436 -1.865 6.590 1.00 0.09 H new ATOM 0 HA VAL A 463 6.899 -0.253 4.172 1.00 0.09 H new ATOM 0 HB VAL A 463 4.681 -0.416 3.495 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.282 -2.798 3.225 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.987 -2.372 2.945 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.503 -3.147 4.472 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.928 -1.481 4.830 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.096 -1.753 6.145 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.652 -0.094 5.678 1.00 0.54 H new ATOM 1927 N LEU A 464 5.780 1.724 5.354 1.00 0.07 N ATOM 1928 CA LEU A 464 5.337 2.838 6.101 1.00 0.07 C ATOM 1929 C LEU A 464 4.353 3.576 5.287 1.00 0.07 C ATOM 1930 O LEU A 464 4.378 3.498 4.077 1.00 0.09 O ATOM 1931 CB LEU A 464 6.504 3.725 6.451 1.00 0.10 C ATOM 1932 CG LEU A 464 7.490 3.112 7.403 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.530 2.363 6.640 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.107 4.189 8.257 1.00 0.13 C ATOM 0 H LEU A 464 6.018 1.926 4.383 1.00 0.07 H new ATOM 0 HA LEU A 464 4.875 2.509 7.032 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.025 3.997 5.533 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.124 4.649 6.887 1.00 0.10 H new ATOM 0 HG LEU A 464 6.979 2.408 8.060 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.243 1.920 7.335 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.055 1.575 6.056 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.053 3.046 5.970 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.822 3.741 8.947 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.620 4.909 7.620 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.326 4.697 8.823 1.00 0.13 H new ATOM 1946 N VAL A 465 3.432 4.186 5.957 1.00 0.06 N ATOM 1947 CA VAL A 465 2.588 5.179 5.360 1.00 0.05 C ATOM 1948 C VAL A 465 2.488 6.275 6.377 1.00 0.08 C ATOM 1949 O VAL A 465 2.545 5.968 7.549 1.00 0.10 O ATOM 1950 CB VAL A 465 1.202 4.609 4.959 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.294 3.120 4.712 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.156 4.926 5.978 1.00 0.08 C ATOM 0 H VAL A 465 3.239 4.011 6.943 1.00 0.06 H new ATOM 0 HA VAL A 465 3.004 5.547 4.422 1.00 0.05 H new ATOM 0 HB VAL A 465 0.898 5.093 4.031 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.313 2.736 4.432 1.00 0.09 H new ATOM 0 HG12 VAL A 465 2.002 2.928 3.906 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.633 2.621 5.620 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.800 4.510 5.660 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.439 4.493 6.937 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.064 6.007 6.081 1.00 0.08 H new ATOM 1962 N PHE A 466 2.474 7.524 5.943 1.00 0.10 N ATOM 1963 CA PHE A 466 2.431 8.672 6.841 1.00 0.15 C ATOM 1964 C PHE A 466 2.480 9.970 6.058 1.00 0.21 C ATOM 1965 O PHE A 466 3.584 10.480 5.796 1.00 1.09 O ATOM 1966 CB PHE A 466 3.548 8.613 7.899 1.00 0.17 C ATOM 1967 CG PHE A 466 4.948 8.402 7.369 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.352 7.167 6.889 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.851 9.448 7.341 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.632 6.982 6.397 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.132 9.268 6.851 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.525 7.993 6.409 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.397 10.467 5.697 1.00 1.06 O ATOM 0 H PHE A 466 2.492 7.774 4.954 1.00 0.10 H new ATOM 0 HA PHE A 466 1.483 8.636 7.377 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.532 9.542 8.469 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.319 7.807 8.597 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.659 6.338 6.899 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.552 10.419 7.707 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.919 6.019 6.000 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.822 10.098 6.809 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.539 7.823 6.080 1.00 0.30 H new