USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 411 MET CE :methyl -104:sc= -2.95! (180deg=-4.72!) USER MOD Set 1.2: A 450 MET CE :methyl -163:sc= -6.2! (180deg=-7.32!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.59! C(o=-6.1!,f=-5.9!) USER MOD Set 2.2: A 442 CYS SG : rot 180:sc= -0.456 USER MOD Set 2.3: A 444 ASN : amide:sc= -2.07 K(o=-6.1,f=-3.5) USER MOD Set 3.1: A 370 SER OG : rot -50:sc= -2.68! USER MOD Set 3.2: A 377 THR OG1 : rot 84:sc= 1.15 USER MOD Set 4.1: A 356 TYR OH : rot -29:sc= -0.421 USER MOD Set 4.2: A 358 LYS NZ :NH3+ -141:sc= 1.3 (180deg=0.0427) USER MOD Single : A 343 THR OG1 : rot 6:sc= 0.751 USER MOD Single : A 344 TYR OH : rot -179:sc= 0.831 USER MOD Single : A 351 ASN : amide:sc= -2.32! K(o=-2.3!,f=-1.5) USER MOD Single : A 352 GLN : amide:sc= -13.8! C(o=-14!,f=-21!) USER MOD Single : A 353 HIS : no HE2:sc= -4.88! C(o=-4.9!,f=-10!) USER MOD Single : A 354 MET CE :methyl -126:sc= -4.75! (180deg=-6.75!) USER MOD Single : A 357 TYR OH : rot 40:sc= 0.326 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 42:sc= -6.35! USER MOD Single : A 372 LYS NZ :NH3+ 159:sc= 0.0068 (180deg=0) USER MOD Single : A 374 THR OG1 : rot 180:sc= -3.01! USER MOD Single : A 375 THR OG1 : rot 180:sc=-0.00821 USER MOD Single : A 383 TYR OH : rot -96:sc= 0.872 USER MOD Single : A 386 ASN : amide:sc= -1.72! K(o=-1.7!,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= -0.139 X(o=-0.14,f=0) USER MOD Single : A 409 TYR OH : rot -146:sc= 0.0318 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -135:sc= -3.22! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 439 SER OG : rot 46:sc= 0.085 USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 445 THR OG1 : rot -136:sc= 0.217 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ -121:sc= 0.881 (180deg=-0.19) USER MOD Single : A 456 MET CE :methyl -106:sc= -20.8! (180deg=-29.3!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -150:sc= 0.441 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.283 0.874 6.088 1.00 0.24 N ATOM 61 CA ASP A 342 17.469 1.839 5.384 1.00 0.20 C ATOM 62 C ASP A 342 16.994 1.241 4.080 1.00 0.17 C ATOM 63 O ASP A 342 17.585 1.462 3.025 1.00 0.19 O ATOM 64 CB ASP A 342 18.232 3.134 5.096 1.00 0.22 C ATOM 65 CG ASP A 342 18.853 3.757 6.327 1.00 0.31 C ATOM 66 OD1 ASP A 342 18.128 4.426 7.092 1.00 0.39 O ATOM 67 OD2 ASP A 342 20.075 3.596 6.530 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.621 2.085 6.024 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.016 2.929 4.367 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.552 3.853 4.639 1.00 0.22 H new ATOM 72 N THR A 343 15.917 0.493 4.184 1.00 0.13 N ATOM 73 CA THR A 343 15.167 0.000 3.052 1.00 0.10 C ATOM 74 C THR A 343 13.767 -0.331 3.506 1.00 0.08 C ATOM 75 O THR A 343 13.600 -0.981 4.540 1.00 0.10 O ATOM 76 CB THR A 343 15.752 -1.265 2.417 1.00 0.11 C ATOM 77 OG1 THR A 343 17.057 -1.015 1.875 1.00 0.14 O ATOM 78 CG2 THR A 343 14.807 -1.730 1.325 1.00 0.08 C ATOM 0 H THR A 343 15.530 0.204 5.082 1.00 0.13 H new ATOM 0 HA THR A 343 15.197 0.789 2.301 1.00 0.10 H new ATOM 0 HB THR A 343 15.858 -2.038 3.178 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.339 -0.105 2.106 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.205 -2.631 0.859 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.830 -1.946 1.757 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.706 -0.947 0.573 1.00 0.08 H new ATOM 86 N TYR A 344 12.771 0.088 2.742 1.00 0.07 N ATOM 87 CA TYR A 344 11.386 -0.108 3.144 1.00 0.06 C ATOM 88 C TYR A 344 10.433 0.561 2.189 1.00 0.06 C ATOM 89 O TYR A 344 10.809 1.457 1.464 1.00 0.06 O ATOM 90 CB TYR A 344 11.160 0.504 4.512 1.00 0.08 C ATOM 91 CG TYR A 344 11.541 1.966 4.601 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.854 2.327 4.846 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.602 2.974 4.452 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.228 3.647 4.944 1.00 0.13 C ATOM 95 CE2 TYR A 344 10.968 4.298 4.548 1.00 0.11 C ATOM 96 CZ TYR A 344 12.279 4.631 4.797 1.00 0.13 C ATOM 97 OH TYR A 344 12.639 5.955 4.881 1.00 0.15 O ATOM 0 H TYR A 344 12.893 0.562 1.847 1.00 0.07 H new ATOM 0 HA TYR A 344 11.201 -1.182 3.152 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.109 0.396 4.778 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.735 -0.057 5.249 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.601 1.556 4.963 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.571 2.718 4.258 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.258 3.908 5.135 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.227 5.074 4.428 1.00 0.11 H new ATOM 0 HH TYR A 344 11.845 6.518 4.769 1.00 0.15 H new ATOM 107 N ILE A 345 9.196 0.108 2.179 1.00 0.06 N ATOM 108 CA ILE A 345 8.147 0.874 1.563 1.00 0.06 C ATOM 109 C ILE A 345 7.735 1.976 2.484 1.00 0.07 C ATOM 110 O ILE A 345 7.772 1.824 3.700 1.00 0.08 O ATOM 111 CB ILE A 345 6.882 0.078 1.245 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.173 -1.403 1.211 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.365 0.509 -0.101 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.238 -1.723 0.249 1.00 0.05 C ATOM 0 H ILE A 345 8.900 -0.779 2.588 1.00 0.06 H new ATOM 0 HA ILE A 345 8.567 1.229 0.622 1.00 0.06 H new ATOM 0 HB ILE A 345 6.141 0.268 2.021 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.467 -1.740 2.205 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.266 -1.947 0.945 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.462 -0.052 -0.340 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.135 1.574 -0.079 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.123 0.317 -0.860 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.420 -2.798 0.252 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.933 -1.409 -0.749 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.152 -1.199 0.530 1.00 0.05 H new ATOM 126 N GLU A 346 7.308 3.055 1.906 1.00 0.09 N ATOM 127 CA GLU A 346 6.960 4.222 2.670 1.00 0.12 C ATOM 128 C GLU A 346 5.864 4.987 1.969 1.00 0.17 C ATOM 129 O GLU A 346 5.845 5.070 0.763 1.00 0.21 O ATOM 130 CB GLU A 346 8.189 5.100 2.794 1.00 0.15 C ATOM 131 CG GLU A 346 7.947 6.288 3.684 1.00 0.13 C ATOM 132 CD GLU A 346 9.087 7.290 3.747 1.00 1.24 C ATOM 133 OE1 GLU A 346 10.044 7.067 4.525 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 9.020 8.326 3.050 1.00 1.53 O ATOM 0 H GLU A 346 7.190 3.156 0.898 1.00 0.09 H new ATOM 0 HA GLU A 346 6.607 3.925 3.658 1.00 0.12 H new ATOM 0 HB2 GLU A 346 9.016 4.512 3.192 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.490 5.444 1.804 1.00 0.15 H new ATOM 0 HG2 GLU A 346 7.050 6.803 3.340 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.742 5.930 4.693 1.00 0.13 H new ATOM 141 N VAL A 347 4.915 5.492 2.722 1.00 0.17 N ATOM 142 CA VAL A 347 3.855 6.276 2.144 1.00 0.17 C ATOM 143 C VAL A 347 3.629 7.554 2.918 1.00 0.20 C ATOM 144 O VAL A 347 4.070 7.692 4.046 1.00 0.45 O ATOM 145 CB VAL A 347 2.527 5.517 2.084 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.625 6.183 1.076 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.733 4.051 1.741 1.00 0.15 C ATOM 0 H VAL A 347 4.857 5.373 3.733 1.00 0.17 H new ATOM 0 HA VAL A 347 4.181 6.502 1.129 1.00 0.17 H new ATOM 0 HB VAL A 347 2.061 5.548 3.069 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.676 5.648 1.027 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.444 7.215 1.375 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.101 6.168 0.096 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.768 3.546 1.708 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.219 3.970 0.769 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.361 3.584 2.500 1.00 0.15 H new ATOM 157 N ASP A 348 2.969 8.483 2.264 1.00 0.10 N ATOM 158 CA ASP A 348 2.544 9.727 2.849 1.00 0.09 C ATOM 159 C ASP A 348 1.157 10.029 2.314 1.00 0.08 C ATOM 160 O ASP A 348 0.989 10.366 1.162 1.00 0.10 O ATOM 161 CB ASP A 348 3.513 10.837 2.425 1.00 0.12 C ATOM 162 CG ASP A 348 3.313 12.110 3.205 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.153 12.445 3.517 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.318 12.793 3.507 1.00 0.24 O ATOM 0 H ASP A 348 2.707 8.388 1.283 1.00 0.10 H new ATOM 0 HA ASP A 348 2.530 9.666 3.937 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.538 10.490 2.559 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.382 11.042 1.362 1.00 0.12 H new ATOM 169 N LEU A 349 0.182 9.851 3.178 1.00 0.08 N ATOM 170 CA LEU A 349 -1.243 9.877 2.831 1.00 0.09 C ATOM 171 C LEU A 349 -1.737 11.287 2.790 1.00 0.12 C ATOM 172 O LEU A 349 -2.633 11.674 2.065 1.00 0.16 O ATOM 173 CB LEU A 349 -2.035 9.143 3.896 1.00 0.10 C ATOM 174 CG LEU A 349 -1.448 7.818 4.298 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.807 7.156 3.112 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.445 8.037 5.382 1.00 0.08 C ATOM 0 H LEU A 349 0.351 9.679 4.169 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.370 9.405 1.857 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.110 9.777 4.779 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.050 8.983 3.532 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.238 7.164 4.667 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.385 6.197 3.414 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.556 6.995 2.337 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.014 7.795 2.723 1.00 0.07 H new ATOM 0 HD21 LEU A 349 -0.015 7.080 5.679 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.346 8.693 5.019 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.933 8.498 6.241 1.00 0.08 H new ATOM 188 N GLU A 350 -1.150 12.014 3.687 1.00 0.13 N ATOM 189 CA GLU A 350 -1.375 13.429 3.840 1.00 0.15 C ATOM 190 C GLU A 350 -1.092 14.079 2.528 1.00 0.14 C ATOM 191 O GLU A 350 -1.751 15.017 2.089 1.00 0.17 O ATOM 192 CB GLU A 350 -0.382 13.925 4.845 1.00 0.18 C ATOM 193 CG GLU A 350 -0.214 12.987 5.975 1.00 0.19 C ATOM 194 CD GLU A 350 -0.305 13.640 7.338 1.00 0.28 C ATOM 195 OE1 GLU A 350 -1.391 14.142 7.691 1.00 0.60 O1- ATOM 196 OE2 GLU A 350 0.710 13.652 8.068 1.00 0.57 O ATOM 0 H GLU A 350 -0.480 11.635 4.356 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.395 13.646 4.158 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.580 14.079 4.357 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.705 14.894 5.225 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -0.975 12.210 5.905 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.754 12.494 5.884 1.00 0.19 H new ATOM 203 N ASN A 351 -0.018 13.569 1.975 1.00 0.12 N ATOM 204 CA ASN A 351 0.542 14.055 0.724 1.00 0.11 C ATOM 205 C ASN A 351 0.259 13.102 -0.425 1.00 0.09 C ATOM 206 O ASN A 351 0.772 13.254 -1.533 1.00 0.10 O ATOM 207 CB ASN A 351 2.043 14.242 0.903 1.00 0.13 C ATOM 208 CG ASN A 351 2.331 15.330 1.900 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.585 16.479 1.537 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.253 14.982 3.167 1.00 0.18 N ATOM 0 H ASN A 351 0.504 12.793 2.383 1.00 0.12 H new ATOM 0 HA ASN A 351 0.072 15.006 0.473 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.493 13.307 1.238 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.500 14.490 -0.055 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.406 15.678 3.897 1.00 0.18 H new ATOM 0 HD22 ASN A 351 2.040 14.017 3.419 1.00 0.18 H new ATOM 217 N GLN A 352 -0.575 12.112 -0.085 1.00 0.08 N ATOM 218 CA GLN A 352 -0.945 10.971 -0.938 1.00 0.08 C ATOM 219 C GLN A 352 0.119 10.569 -1.936 1.00 0.07 C ATOM 220 O GLN A 352 -0.088 10.592 -3.146 1.00 0.08 O ATOM 221 CB GLN A 352 -2.284 11.181 -1.616 1.00 0.12 C ATOM 222 CG GLN A 352 -3.422 11.105 -0.633 1.00 0.21 C ATOM 223 CD GLN A 352 -3.561 9.738 0.016 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.255 8.737 -0.577 1.00 2.15 O ATOM 225 NE2 GLN A 352 -4.020 9.693 1.251 1.00 1.89 N ATOM 0 H GLN A 352 -1.030 12.081 0.827 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.037 10.129 -0.252 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.294 12.153 -2.110 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.422 10.428 -2.392 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -3.274 11.855 0.143 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -4.352 11.354 -1.144 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.273 10.556 1.733 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.122 8.795 1.725 1.00 1.89 H new ATOM 234 N HIS A 353 1.233 10.135 -1.402 1.00 0.05 N ATOM 235 CA HIS A 353 2.344 9.672 -2.207 1.00 0.05 C ATOM 236 C HIS A 353 3.003 8.476 -1.548 1.00 0.06 C ATOM 237 O HIS A 353 3.171 8.443 -0.342 1.00 0.07 O ATOM 238 CB HIS A 353 3.344 10.805 -2.404 1.00 0.06 C ATOM 239 CG HIS A 353 4.361 10.510 -3.447 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.231 10.840 -4.782 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.515 9.855 -3.337 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.285 10.381 -5.441 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.083 9.786 -4.576 1.00 0.07 N ATOM 0 H HIS A 353 1.399 10.091 -0.397 1.00 0.05 H new ATOM 0 HA HIS A 353 1.977 9.360 -3.185 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.806 11.713 -2.676 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.849 11.005 -1.459 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.451 11.353 -5.193 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.929 9.449 -2.426 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.460 10.477 -6.502 1.00 0.09 H new ATOM 252 N MET A 354 3.342 7.484 -2.349 1.00 0.05 N ATOM 253 CA MET A 354 3.951 6.279 -1.859 1.00 0.06 C ATOM 254 C MET A 354 5.380 6.162 -2.369 1.00 0.05 C ATOM 255 O MET A 354 5.743 6.747 -3.388 1.00 0.06 O ATOM 256 CB MET A 354 3.159 5.058 -2.283 1.00 0.07 C ATOM 257 CG MET A 354 3.500 3.818 -1.486 1.00 0.07 C ATOM 258 SD MET A 354 3.786 2.371 -2.508 1.00 0.06 S ATOM 259 CE MET A 354 4.992 3.026 -3.649 1.00 0.05 C ATOM 0 H MET A 354 3.199 7.499 -3.359 1.00 0.05 H new ATOM 0 HA MET A 354 3.959 6.328 -0.770 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.095 5.269 -2.177 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.342 4.864 -3.340 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.390 4.013 -0.888 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.688 3.608 -0.790 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.651 2.864 -4.672 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.117 4.094 -3.473 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.946 2.520 -3.500 1.00 0.05 H new ATOM 269 N TRP A 355 6.165 5.388 -1.661 1.00 0.05 N ATOM 270 CA TRP A 355 7.574 5.217 -1.933 1.00 0.07 C ATOM 271 C TRP A 355 8.008 3.802 -1.674 1.00 0.07 C ATOM 272 O TRP A 355 7.420 3.102 -0.864 1.00 0.11 O ATOM 273 CB TRP A 355 8.422 6.076 -0.999 1.00 0.08 C ATOM 274 CG TRP A 355 8.320 7.526 -1.233 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.037 8.266 -2.091 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.452 8.401 -0.563 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.651 9.575 -2.022 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.663 9.683 -1.063 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.507 8.207 0.411 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.929 10.771 -0.583 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.806 9.248 0.871 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.008 10.526 0.384 1.00 0.09 C ATOM 0 H TRP A 355 5.836 4.847 -0.861 1.00 0.05 H new ATOM 0 HA TRP A 355 7.714 5.497 -2.977 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.130 5.867 0.030 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.465 5.778 -1.101 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.808 7.883 -2.743 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.027 10.340 -2.582 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.330 7.217 0.805 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.088 11.768 -0.966 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.065 9.087 1.640 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.423 11.343 0.779 1.00 0.09 H new ATOM 293 N TYR A 356 9.047 3.403 -2.353 1.00 0.04 N ATOM 294 CA TYR A 356 9.918 2.396 -1.828 1.00 0.04 C ATOM 295 C TYR A 356 11.185 3.078 -1.478 1.00 0.04 C ATOM 296 O TYR A 356 11.557 4.057 -2.091 1.00 0.05 O ATOM 297 CB TYR A 356 10.251 1.335 -2.809 1.00 0.03 C ATOM 298 CG TYR A 356 11.146 0.254 -2.226 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.621 -0.748 -1.449 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.499 0.209 -2.499 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.399 -1.765 -0.982 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.296 -0.807 -2.014 1.00 0.10 C ATOM 303 CZ TYR A 356 12.731 -1.798 -1.265 1.00 0.05 C ATOM 304 OH TYR A 356 13.493 -2.851 -0.828 1.00 0.26 O ATOM 0 H TYR A 356 9.309 3.761 -3.271 1.00 0.04 H new ATOM 0 HA TYR A 356 9.417 1.919 -0.986 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.329 0.880 -3.172 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.746 1.785 -3.670 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.570 -0.730 -1.202 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.942 0.985 -3.105 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.957 -2.549 -0.385 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.355 -0.818 -2.225 1.00 0.10 H new ATOM 0 HH TYR A 356 13.108 -3.213 -0.003 1.00 0.26 H new ATOM 314 N TYR A 357 11.852 2.525 -0.552 1.00 0.05 N ATOM 315 CA TYR A 357 13.086 3.081 -0.077 1.00 0.06 C ATOM 316 C TYR A 357 14.168 2.048 -0.105 1.00 0.06 C ATOM 317 O TYR A 357 14.062 1.008 0.526 1.00 0.07 O ATOM 318 CB TYR A 357 12.954 3.630 1.336 1.00 0.07 C ATOM 319 CG TYR A 357 12.562 5.076 1.403 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.247 5.477 1.220 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.520 6.044 1.656 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.896 6.813 1.287 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.184 7.373 1.726 1.00 0.11 C ATOM 324 CZ TYR A 357 11.869 7.758 1.540 1.00 0.11 C ATOM 325 OH TYR A 357 11.521 9.087 1.615 1.00 0.14 O ATOM 0 H TYR A 357 11.571 1.663 -0.084 1.00 0.05 H new ATOM 0 HA TYR A 357 13.343 3.905 -0.742 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.213 3.040 1.875 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.904 3.499 1.854 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.487 4.736 1.022 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.549 5.748 1.801 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.869 7.114 1.143 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.943 8.115 1.925 1.00 0.11 H new ATOM 0 HH TYR A 357 10.669 9.176 2.091 1.00 0.14 H new ATOM 335 N LYS A 358 15.182 2.337 -0.865 1.00 0.07 N ATOM 336 CA LYS A 358 16.404 1.592 -0.818 1.00 0.09 C ATOM 337 C LYS A 358 17.488 2.575 -0.465 1.00 0.13 C ATOM 338 O LYS A 358 17.518 3.662 -0.992 1.00 0.25 O ATOM 339 CB LYS A 358 16.720 0.939 -2.147 1.00 0.11 C ATOM 340 CG LYS A 358 17.704 -0.180 -2.010 1.00 0.12 C ATOM 341 CD LYS A 358 17.037 -1.308 -1.334 1.00 0.09 C ATOM 342 CE LYS A 358 16.487 -2.239 -2.355 1.00 0.09 C ATOM 343 NZ LYS A 358 15.947 -3.491 -1.759 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.184 3.102 -1.540 1.00 0.07 H new ATOM 0 HA LYS A 358 16.322 0.789 -0.086 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.800 0.558 -2.590 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.118 1.688 -2.832 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.067 -0.487 -2.991 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.572 0.146 -1.436 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.745 -1.832 -0.692 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.236 -0.940 -0.692 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.696 -1.736 -2.911 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.270 -2.490 -3.071 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 16.185 -4.298 -2.371 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.364 -3.635 -0.817 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 14.913 -3.416 -1.672 1.00 0.10 H new ATOM 357 N ASP A 359 18.354 2.184 0.442 1.00 0.13 N ATOM 358 CA ASP A 359 19.531 2.979 0.814 1.00 0.16 C ATOM 359 C ASP A 359 19.184 4.209 1.621 1.00 0.16 C ATOM 360 O ASP A 359 20.014 5.097 1.802 1.00 0.28 O ATOM 361 CB ASP A 359 20.316 3.433 -0.399 1.00 0.19 C ATOM 362 CG ASP A 359 21.808 3.219 -0.252 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.479 4.070 0.370 1.00 0.39 O1- ATOM 364 OD2 ASP A 359 22.322 2.200 -0.761 1.00 0.43 O ATOM 0 H ASP A 359 18.273 1.304 0.952 1.00 0.13 H new ATOM 0 HA ASP A 359 20.133 2.307 1.425 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.962 2.893 -1.277 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.122 4.491 -0.576 1.00 0.19 H new ATOM 369 N GLY A 360 17.969 4.227 2.146 1.00 0.15 N ATOM 370 CA GLY A 360 17.466 5.411 2.821 1.00 0.15 C ATOM 371 C GLY A 360 17.004 6.458 1.875 1.00 0.14 C ATOM 372 O GLY A 360 16.632 7.561 2.266 1.00 0.18 O ATOM 0 H GLY A 360 17.318 3.442 2.118 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.641 5.128 3.475 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.250 5.822 3.457 1.00 0.15 H new ATOM 376 N LYS A 361 16.995 6.079 0.642 1.00 0.13 N ATOM 377 CA LYS A 361 16.548 6.910 -0.426 1.00 0.13 C ATOM 378 C LYS A 361 15.539 6.070 -1.160 1.00 0.09 C ATOM 379 O LYS A 361 15.287 4.948 -0.750 1.00 0.12 O ATOM 380 CB LYS A 361 17.756 7.235 -1.268 1.00 0.16 C ATOM 381 CG LYS A 361 18.267 6.046 -2.042 1.00 0.17 C ATOM 382 CD LYS A 361 19.274 6.434 -3.075 1.00 0.23 C ATOM 383 CE LYS A 361 18.650 7.380 -4.075 1.00 0.26 C ATOM 384 NZ LYS A 361 19.433 7.470 -5.336 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.307 5.156 0.340 1.00 0.13 H new ATOM 0 HA LYS A 361 16.095 7.854 -0.123 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.503 8.034 -1.964 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.551 7.612 -0.624 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.714 5.331 -1.352 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.430 5.542 -2.525 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.131 6.909 -2.598 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.645 5.545 -3.585 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.637 7.047 -4.302 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.568 8.372 -3.630 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.965 8.130 -5.989 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.392 7.813 -5.125 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.491 6.530 -5.777 1.00 0.37 H new ATOM 398 N VAL A 362 14.908 6.567 -2.187 1.00 0.09 N ATOM 399 CA VAL A 362 13.873 5.759 -2.775 1.00 0.07 C ATOM 400 C VAL A 362 14.202 5.095 -4.055 1.00 0.07 C ATOM 401 O VAL A 362 15.066 5.506 -4.830 1.00 0.10 O ATOM 402 CB VAL A 362 12.558 6.470 -2.946 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.136 7.022 -1.635 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.607 7.527 -3.984 1.00 0.09 C ATOM 0 H VAL A 362 15.076 7.477 -2.617 1.00 0.09 H new ATOM 0 HA VAL A 362 13.783 4.981 -2.017 1.00 0.07 H new ATOM 0 HB VAL A 362 11.822 5.746 -3.297 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.183 7.540 -1.748 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.025 6.210 -0.917 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.890 7.723 -1.276 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.631 8.005 -4.063 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.354 8.272 -3.710 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.872 7.083 -4.943 1.00 0.09 H new ATOM 414 N ALA A 363 13.421 4.061 -4.249 1.00 0.05 N ATOM 415 CA ALA A 363 13.492 3.232 -5.385 1.00 0.05 C ATOM 416 C ALA A 363 12.288 3.540 -6.202 1.00 0.05 C ATOM 417 O ALA A 363 12.259 3.422 -7.424 1.00 0.07 O ATOM 418 CB ALA A 363 13.474 1.783 -4.950 1.00 0.05 C ATOM 0 H ALA A 363 12.699 3.780 -3.586 1.00 0.05 H new ATOM 0 HA ALA A 363 14.405 3.402 -5.956 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.529 1.139 -5.828 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.328 1.587 -4.302 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.552 1.578 -4.406 1.00 0.05 H new ATOM 424 N LEU A 364 11.297 3.959 -5.456 1.00 0.04 N ATOM 425 CA LEU A 364 10.000 4.234 -5.966 1.00 0.04 C ATOM 426 C LEU A 364 9.475 5.519 -5.456 1.00 0.05 C ATOM 427 O LEU A 364 9.679 5.902 -4.307 1.00 0.06 O ATOM 428 CB LEU A 364 9.083 3.125 -5.545 1.00 0.04 C ATOM 429 CG LEU A 364 8.409 2.427 -6.676 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.434 2.074 -7.709 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.754 1.194 -6.168 1.00 0.05 C ATOM 0 H LEU A 364 11.384 4.119 -4.452 1.00 0.04 H new ATOM 0 HA LEU A 364 10.059 4.305 -7.052 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.654 2.395 -4.971 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.322 3.531 -4.878 1.00 0.04 H new ATOM 0 HG LEU A 364 7.654 3.075 -7.122 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.951 1.562 -8.541 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.914 2.983 -8.071 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.185 1.419 -7.267 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.259 0.679 -6.992 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.505 0.538 -5.729 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.016 1.459 -5.411 1.00 0.05 H new ATOM 443 N GLU A 365 8.769 6.146 -6.334 1.00 0.05 N ATOM 444 CA GLU A 365 8.085 7.343 -6.045 1.00 0.06 C ATOM 445 C GLU A 365 6.798 7.212 -6.756 1.00 0.05 C ATOM 446 O GLU A 365 6.769 7.120 -7.982 1.00 0.07 O ATOM 447 CB GLU A 365 8.875 8.496 -6.606 1.00 0.10 C ATOM 448 CG GLU A 365 9.047 9.662 -5.653 1.00 0.16 C ATOM 449 CD GLU A 365 10.148 10.611 -6.075 1.00 0.27 C ATOM 450 OE1 GLU A 365 10.090 11.128 -7.210 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.077 10.847 -5.275 1.00 0.48 O ATOM 0 H GLU A 365 8.654 5.825 -7.295 1.00 0.05 H new ATOM 0 HA GLU A 365 7.946 7.517 -4.978 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.861 8.136 -6.901 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.382 8.852 -7.511 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.108 10.211 -5.585 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.266 9.280 -4.656 1.00 0.16 H new ATOM 458 N THR A 366 5.735 7.203 -6.036 1.00 0.05 N ATOM 459 CA THR A 366 4.510 7.066 -6.685 1.00 0.06 C ATOM 460 C THR A 366 3.436 7.769 -5.932 1.00 0.06 C ATOM 461 O THR A 366 3.568 8.062 -4.765 1.00 0.07 O ATOM 462 CB THR A 366 4.185 5.588 -6.868 1.00 0.06 C ATOM 463 OG1 THR A 366 3.583 5.382 -8.124 1.00 0.07 O ATOM 464 CG2 THR A 366 3.251 5.113 -5.796 1.00 0.07 C ATOM 0 H THR A 366 5.700 7.288 -5.020 1.00 0.05 H new ATOM 0 HA THR A 366 4.574 7.527 -7.670 1.00 0.06 H new ATOM 0 HB THR A 366 5.116 5.025 -6.805 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.049 5.916 -8.801 1.00 0.07 H new ATOM 0 HG21 THR A 366 3.033 4.056 -5.946 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.716 5.253 -4.820 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.324 5.685 -5.841 1.00 0.07 H new ATOM 472 N ASP A 367 2.388 8.041 -6.608 1.00 0.07 N ATOM 473 CA ASP A 367 1.292 8.741 -6.033 1.00 0.09 C ATOM 474 C ASP A 367 0.209 7.738 -5.699 1.00 0.09 C ATOM 475 O ASP A 367 -0.002 6.793 -6.445 1.00 0.11 O ATOM 476 CB ASP A 367 0.852 9.764 -7.053 1.00 0.13 C ATOM 477 CG ASP A 367 1.712 11.013 -7.026 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.909 11.591 -5.937 1.00 1.80 O1- ATOM 479 OD2 ASP A 367 2.231 11.400 -8.094 1.00 1.65 O ATOM 0 H ASP A 367 2.258 7.785 -7.587 1.00 0.07 H new ATOM 0 HA ASP A 367 1.547 9.256 -5.107 1.00 0.09 H new ATOM 0 HB2 ASP A 367 0.890 9.321 -8.048 1.00 0.13 H new ATOM 0 HB3 ASP A 367 -0.187 10.037 -6.866 1.00 0.13 H new ATOM 484 N ILE A 368 -0.422 7.901 -4.548 1.00 0.09 N ATOM 485 CA ILE A 368 -1.355 6.902 -4.043 1.00 0.08 C ATOM 486 C ILE A 368 -2.597 7.517 -3.491 1.00 0.07 C ATOM 487 O ILE A 368 -2.811 8.724 -3.554 1.00 0.08 O ATOM 488 CB ILE A 368 -0.753 6.049 -2.926 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.037 6.896 -1.968 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.103 4.970 -3.508 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.782 7.493 -0.842 1.00 0.08 C ATOM 0 H ILE A 368 -0.307 8.715 -3.944 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.586 6.282 -4.909 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.567 5.587 -2.368 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.835 6.290 -1.539 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.513 7.704 -2.523 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.527 4.368 -2.704 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.502 4.335 -4.156 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.909 5.418 -4.089 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.135 8.089 -0.198 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.564 8.128 -1.258 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.237 6.692 -0.259 1.00 0.08 H new ATOM 503 N VAL A 369 -3.390 6.647 -2.926 1.00 0.07 N ATOM 504 CA VAL A 369 -4.558 7.033 -2.185 1.00 0.08 C ATOM 505 C VAL A 369 -4.816 5.997 -1.103 1.00 0.09 C ATOM 506 O VAL A 369 -4.951 4.802 -1.360 1.00 0.10 O ATOM 507 CB VAL A 369 -5.801 7.310 -3.077 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.494 7.091 -4.561 1.00 0.10 C ATOM 509 CG2 VAL A 369 -7.017 6.502 -2.623 1.00 0.09 C ATOM 0 H VAL A 369 -3.241 5.639 -2.968 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.364 7.996 -1.714 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.055 8.363 -2.955 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.387 7.295 -5.151 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.694 7.764 -4.870 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.182 6.059 -4.720 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.864 6.724 -3.272 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.788 5.438 -2.677 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.267 6.767 -1.596 1.00 0.09 H new ATOM 519 N SER A 370 -4.765 6.487 0.117 1.00 0.09 N ATOM 520 CA SER A 370 -4.952 5.685 1.313 1.00 0.08 C ATOM 521 C SER A 370 -6.432 5.418 1.545 1.00 0.08 C ATOM 522 O SER A 370 -7.240 5.627 0.643 1.00 0.10 O ATOM 523 CB SER A 370 -4.275 6.308 2.541 1.00 0.13 C ATOM 524 OG SER A 370 -3.593 5.320 3.261 1.00 1.26 O ATOM 0 H SER A 370 -4.589 7.473 0.312 1.00 0.09 H new ATOM 0 HA SER A 370 -4.459 4.726 1.155 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.580 7.087 2.228 1.00 0.13 H new ATOM 0 HB3 SER A 370 -5.022 6.784 3.177 1.00 0.13 H new ATOM 0 HG SER A 370 -4.190 4.559 3.419 1.00 1.26 H new ATOM 530 N GLY A 371 -6.802 4.914 2.703 1.00 0.09 N ATOM 531 CA GLY A 371 -8.185 4.550 2.884 1.00 0.12 C ATOM 532 C GLY A 371 -9.041 5.730 3.300 1.00 0.12 C ATOM 533 O GLY A 371 -8.533 6.802 3.634 1.00 0.14 O ATOM 0 H GLY A 371 -6.190 4.753 3.503 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.573 4.132 1.955 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.257 3.768 3.640 1.00 0.12 H new ATOM 537 N LYS A 372 -10.345 5.521 3.242 1.00 0.16 N ATOM 538 CA LYS A 372 -11.329 6.598 3.322 1.00 0.16 C ATOM 539 C LYS A 372 -11.456 7.151 4.744 1.00 0.18 C ATOM 540 O LYS A 372 -11.110 6.502 5.715 1.00 0.21 O ATOM 541 CB LYS A 372 -12.669 6.043 2.860 1.00 0.19 C ATOM 542 CG LYS A 372 -13.323 5.155 3.882 1.00 0.27 C ATOM 543 CD LYS A 372 -14.054 4.030 3.215 1.00 0.47 C ATOM 544 CE LYS A 372 -15.160 4.580 2.367 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.871 3.533 1.591 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.758 4.594 3.137 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.006 7.423 2.687 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.338 6.871 2.626 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.524 5.480 1.938 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.569 4.754 4.559 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.017 5.738 4.487 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.366 3.450 2.601 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.461 3.352 3.965 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.875 5.100 3.004 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.750 5.319 1.679 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.811 3.883 1.316 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -15.324 3.302 0.737 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.977 2.680 2.176 1.00 0.79 H new ATOM 559 N PRO A 373 -11.976 8.399 4.843 1.00 0.19 N ATOM 560 CA PRO A 373 -12.065 9.187 6.088 1.00 0.21 C ATOM 561 C PRO A 373 -12.829 8.499 7.174 1.00 0.24 C ATOM 562 O PRO A 373 -12.652 8.769 8.357 1.00 0.28 O ATOM 563 CB PRO A 373 -12.898 10.375 5.665 1.00 0.23 C ATOM 564 CG PRO A 373 -12.585 10.553 4.246 1.00 0.21 C ATOM 565 CD PRO A 373 -12.530 9.162 3.713 1.00 0.19 C ATOM 0 HA PRO A 373 -11.070 9.393 6.482 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.961 10.189 5.817 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.644 11.264 6.242 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.348 11.145 3.740 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.636 11.071 4.108 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.517 8.800 3.426 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.896 9.093 2.829 1.00 0.19 H new ATOM 573 N THR A 374 -13.750 7.685 6.726 1.00 0.25 N ATOM 574 CA THR A 374 -14.647 6.981 7.612 1.00 0.28 C ATOM 575 C THR A 374 -13.886 5.895 8.350 1.00 0.30 C ATOM 576 O THR A 374 -14.157 5.579 9.512 1.00 0.33 O ATOM 577 CB THR A 374 -15.812 6.350 6.827 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.363 5.206 6.097 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.378 7.352 5.851 1.00 0.29 C ATOM 0 H THR A 374 -13.901 7.490 5.736 1.00 0.25 H new ATOM 0 HA THR A 374 -15.057 7.696 8.326 1.00 0.28 H new ATOM 0 HB THR A 374 -16.579 6.049 7.541 1.00 0.29 H new ATOM 0 HG1 THR A 374 -16.115 4.816 5.605 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.201 6.898 5.300 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.742 8.224 6.395 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.600 7.659 5.153 1.00 0.29 H new ATOM 587 N THR A 375 -12.921 5.343 7.641 1.00 0.28 N ATOM 588 CA THR A 375 -12.065 4.287 8.146 1.00 0.31 C ATOM 589 C THR A 375 -10.643 4.504 7.653 1.00 0.29 C ATOM 590 O THR A 375 -10.100 3.801 6.799 1.00 0.29 O ATOM 591 CB THR A 375 -12.626 2.924 7.767 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.682 1.872 8.001 1.00 0.39 O ATOM 593 CG2 THR A 375 -13.087 2.929 6.319 1.00 0.31 C ATOM 0 H THR A 375 -12.706 5.620 6.683 1.00 0.28 H new ATOM 0 HA THR A 375 -12.037 4.316 9.235 1.00 0.31 H new ATOM 0 HB THR A 375 -13.485 2.729 8.408 1.00 0.34 H new ATOM 0 HG1 THR A 375 -12.080 1.013 7.747 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.486 1.948 6.061 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.863 3.683 6.187 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.243 3.160 5.669 1.00 0.31 H new ATOM 601 N PRO A 376 -10.071 5.538 8.228 1.00 0.28 N ATOM 602 CA PRO A 376 -8.783 6.120 7.879 1.00 0.26 C ATOM 603 C PRO A 376 -7.623 5.176 7.993 1.00 0.26 C ATOM 604 O PRO A 376 -7.676 4.182 8.722 1.00 0.38 O ATOM 605 CB PRO A 376 -8.658 7.239 8.904 1.00 0.29 C ATOM 606 CG PRO A 376 -10.041 7.583 9.193 1.00 0.32 C ATOM 607 CD PRO A 376 -10.695 6.267 9.306 1.00 0.32 C ATOM 0 HA PRO A 376 -8.752 6.431 6.835 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.130 6.908 9.799 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.106 8.090 8.505 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.129 8.158 10.115 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.481 8.185 8.398 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.513 5.801 10.275 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.776 6.335 9.183 1.00 0.32 H new ATOM 615 N THR A 377 -6.566 5.489 7.279 1.00 0.17 N ATOM 616 CA THR A 377 -5.372 4.723 7.409 1.00 0.21 C ATOM 617 C THR A 377 -4.541 5.310 8.560 1.00 0.17 C ATOM 618 O THR A 377 -4.564 6.518 8.812 1.00 0.21 O ATOM 619 CB THR A 377 -4.579 4.652 6.079 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.185 3.298 5.821 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.336 5.517 6.104 1.00 0.22 C ATOM 0 H THR A 377 -6.519 6.260 6.613 1.00 0.17 H new ATOM 0 HA THR A 377 -5.625 3.690 7.645 1.00 0.21 H new ATOM 0 HB THR A 377 -5.239 5.022 5.294 1.00 0.33 H new ATOM 0 HG1 THR A 377 -4.923 2.819 5.389 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.815 5.433 5.150 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.619 6.556 6.273 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.678 5.185 6.907 1.00 0.22 H new ATOM 629 N PRO A 378 -3.829 4.441 9.281 1.00 0.14 N ATOM 630 CA PRO A 378 -3.189 4.745 10.565 1.00 0.15 C ATOM 631 C PRO A 378 -1.929 5.561 10.394 1.00 0.13 C ATOM 632 O PRO A 378 -1.700 6.534 11.109 1.00 0.16 O ATOM 633 CB PRO A 378 -2.821 3.339 11.081 1.00 0.17 C ATOM 634 CG PRO A 378 -3.612 2.413 10.233 1.00 0.19 C ATOM 635 CD PRO A 378 -3.553 3.065 8.907 1.00 0.17 C ATOM 0 HA PRO A 378 -3.831 5.329 11.225 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.752 3.149 10.986 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.073 3.225 12.135 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.180 1.412 10.213 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.637 2.311 10.590 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.579 2.951 8.431 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.294 2.666 8.215 1.00 0.17 H new ATOM 643 N ALA A 379 -1.143 5.144 9.420 1.00 0.11 N ATOM 644 CA ALA A 379 0.184 5.669 9.165 1.00 0.10 C ATOM 645 C ALA A 379 1.125 5.545 10.350 1.00 0.10 C ATOM 646 O ALA A 379 0.787 5.787 11.508 1.00 0.13 O ATOM 647 CB ALA A 379 0.155 7.080 8.630 1.00 0.11 C ATOM 0 H ALA A 379 -1.418 4.411 8.767 1.00 0.11 H new ATOM 0 HA ALA A 379 0.593 5.030 8.382 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.175 7.424 8.457 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.400 7.102 7.692 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.330 7.734 9.354 1.00 0.11 H new ATOM 653 N GLY A 380 2.323 5.163 10.001 1.00 0.10 N ATOM 654 CA GLY A 380 3.377 4.939 10.948 1.00 0.11 C ATOM 655 C GLY A 380 4.325 3.888 10.436 1.00 0.12 C ATOM 656 O GLY A 380 5.027 4.111 9.453 1.00 0.20 O ATOM 0 H GLY A 380 2.597 4.996 9.033 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.917 5.869 11.128 1.00 0.11 H new ATOM 0 HA3 GLY A 380 2.956 4.625 11.903 1.00 0.11 H new ATOM 660 N VAL A 381 4.322 2.733 11.078 1.00 0.12 N ATOM 661 CA VAL A 381 5.159 1.629 10.660 1.00 0.13 C ATOM 662 C VAL A 381 4.342 0.329 10.540 1.00 0.15 C ATOM 663 O VAL A 381 3.772 -0.188 11.506 1.00 0.25 O ATOM 664 CB VAL A 381 6.346 1.472 11.628 1.00 0.17 C ATOM 665 CG1 VAL A 381 5.934 0.840 12.949 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.478 0.696 10.971 1.00 0.82 C ATOM 0 H VAL A 381 3.744 2.538 11.896 1.00 0.12 H new ATOM 0 HA VAL A 381 5.558 1.845 9.669 1.00 0.13 H new ATOM 0 HB VAL A 381 6.708 2.473 11.862 1.00 0.17 H new ATOM 0 HG11 VAL A 381 6.806 0.751 13.597 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.184 1.466 13.433 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.516 -0.150 12.764 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.306 0.597 11.673 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.123 -0.294 10.686 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.817 1.229 10.083 1.00 0.82 H new ATOM 676 N PHE A 382 4.227 -0.136 9.317 1.00 0.09 N ATOM 677 CA PHE A 382 3.621 -1.410 8.992 1.00 0.09 C ATOM 678 C PHE A 382 4.730 -2.297 8.411 1.00 0.09 C ATOM 679 O PHE A 382 5.902 -1.925 8.486 1.00 0.10 O ATOM 680 CB PHE A 382 2.439 -1.261 8.021 1.00 0.10 C ATOM 681 CG PHE A 382 1.549 -0.062 8.286 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.307 0.379 9.578 1.00 0.18 C ATOM 683 CD2 PHE A 382 0.968 0.637 7.234 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.510 1.482 9.815 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.173 1.736 7.472 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.055 2.158 8.761 1.00 0.18 C ATOM 0 H PHE A 382 4.560 0.373 8.499 1.00 0.09 H new ATOM 0 HA PHE A 382 3.197 -1.864 9.887 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.828 -1.191 7.005 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.832 -2.165 8.068 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.748 -0.148 10.411 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.142 0.314 6.218 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.331 1.812 10.828 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.273 2.268 6.644 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.678 3.021 8.945 1.00 0.18 H new ATOM 696 N TYR A 383 4.423 -3.463 7.865 1.00 0.11 N ATOM 697 CA TYR A 383 5.500 -4.370 7.461 1.00 0.11 C ATOM 698 C TYR A 383 5.121 -5.246 6.276 1.00 0.11 C ATOM 699 O TYR A 383 4.117 -5.948 6.309 1.00 0.13 O ATOM 700 CB TYR A 383 5.807 -5.257 8.657 1.00 0.13 C ATOM 701 CG TYR A 383 7.261 -5.601 8.850 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.208 -4.611 9.077 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.679 -6.923 8.847 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.531 -4.930 9.299 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.999 -7.255 9.059 1.00 0.49 C ATOM 706 CZ TYR A 383 9.925 -6.252 9.289 1.00 0.50 C ATOM 707 OH TYR A 383 11.243 -6.571 9.525 1.00 0.65 O ATOM 0 H TYR A 383 3.476 -3.801 7.693 1.00 0.11 H new ATOM 0 HA TYR A 383 6.360 -3.777 7.149 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.446 -4.761 9.558 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.242 -6.184 8.555 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.903 -3.575 9.080 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.956 -7.707 8.675 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.255 -4.149 9.480 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.309 -8.289 9.046 1.00 0.49 H new ATOM 0 HH TYR A 383 11.710 -6.684 8.671 1.00 0.65 H new ATOM 717 N VAL A 384 5.931 -5.193 5.219 1.00 0.09 N ATOM 718 CA VAL A 384 5.797 -6.150 4.139 1.00 0.09 C ATOM 719 C VAL A 384 6.653 -7.348 4.434 1.00 0.13 C ATOM 720 O VAL A 384 7.842 -7.423 4.108 1.00 0.16 O ATOM 721 CB VAL A 384 6.133 -5.604 2.743 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.430 -4.848 2.763 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.191 -6.742 1.716 1.00 0.08 C ATOM 0 H VAL A 384 6.674 -4.506 5.094 1.00 0.09 H new ATOM 0 HA VAL A 384 4.740 -6.412 4.099 1.00 0.09 H new ATOM 0 HB VAL A 384 5.341 -4.915 2.450 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.647 -4.471 1.764 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.353 -4.011 3.458 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.233 -5.512 3.083 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.430 -6.334 0.734 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.959 -7.457 2.009 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.225 -7.244 1.675 1.00 0.08 H new ATOM 733 N TRP A 385 6.024 -8.282 5.064 1.00 0.18 N ATOM 734 CA TRP A 385 6.652 -9.529 5.385 1.00 0.23 C ATOM 735 C TRP A 385 6.330 -10.511 4.275 1.00 0.12 C ATOM 736 O TRP A 385 6.571 -11.713 4.375 1.00 0.21 O ATOM 737 CB TRP A 385 6.232 -10.019 6.776 1.00 0.48 C ATOM 738 CG TRP A 385 4.747 -10.049 6.985 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.933 -8.987 7.294 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.893 -11.195 6.907 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.639 -9.413 7.418 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.587 -10.756 7.182 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.105 -12.548 6.631 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.499 -11.617 7.189 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.021 -13.405 6.637 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.731 -12.936 6.914 1.00 2.55 C ATOM 0 H TRP A 385 5.055 -8.206 5.374 1.00 0.18 H new ATOM 0 HA TRP A 385 7.735 -9.416 5.442 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.632 -11.021 6.934 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.683 -9.373 7.530 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.265 -7.967 7.420 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.841 -8.822 7.650 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.097 -12.917 6.417 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.503 -11.258 7.404 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.171 -14.453 6.425 1.00 2.11 H new ATOM 0 HH2 TRP A 385 0.903 -13.630 6.910 1.00 2.55 H new ATOM 757 N ASN A 386 5.777 -9.945 3.198 1.00 0.10 N ATOM 758 CA ASN A 386 5.541 -10.664 1.957 1.00 0.14 C ATOM 759 C ASN A 386 5.154 -9.688 0.852 1.00 0.11 C ATOM 760 O ASN A 386 4.246 -8.886 0.998 1.00 0.12 O ATOM 761 CB ASN A 386 4.424 -11.685 2.158 1.00 0.27 C ATOM 762 CG ASN A 386 4.142 -12.495 0.906 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.761 -13.534 0.675 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.207 -12.032 0.095 1.00 0.31 N ATOM 0 H ASN A 386 5.481 -8.969 3.170 1.00 0.10 H new ATOM 0 HA ASN A 386 6.455 -11.182 1.668 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.695 -12.360 2.970 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.515 -11.168 2.464 1.00 0.27 H new ATOM 0 HD21 ASN A 386 2.975 -12.540 -0.759 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.717 -11.167 0.323 1.00 0.31 H new ATOM 771 N LYS A 387 5.887 -9.769 -0.239 1.00 0.11 N ATOM 772 CA LYS A 387 5.573 -9.065 -1.483 1.00 0.09 C ATOM 773 C LYS A 387 4.945 -10.042 -2.463 1.00 0.08 C ATOM 774 O LYS A 387 5.339 -11.208 -2.517 1.00 0.13 O ATOM 775 CB LYS A 387 6.846 -8.452 -2.088 1.00 0.13 C ATOM 776 CG LYS A 387 8.139 -8.886 -1.420 1.00 0.38 C ATOM 777 CD LYS A 387 8.422 -10.337 -1.699 1.00 0.20 C ATOM 778 CE LYS A 387 8.969 -10.536 -3.092 1.00 0.40 C ATOM 779 NZ LYS A 387 9.411 -11.932 -3.338 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.734 -10.334 -0.296 1.00 0.11 H new ATOM 0 HA LYS A 387 4.872 -8.257 -1.273 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.893 -8.715 -3.145 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.771 -7.366 -2.033 1.00 0.13 H new ATOM 0 HG2 LYS A 387 8.965 -8.273 -1.782 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.070 -8.724 -0.344 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.137 -10.716 -0.969 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.507 -10.917 -1.580 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.204 -10.267 -3.821 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.810 -9.860 -3.248 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 9.778 -12.014 -4.308 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.161 -12.183 -2.662 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.605 -12.578 -3.217 1.00 1.12 H new ATOM 793 N GLU A 388 3.984 -9.557 -3.237 1.00 0.09 N ATOM 794 CA GLU A 388 3.118 -10.425 -4.027 1.00 0.10 C ATOM 795 C GLU A 388 3.066 -10.090 -5.499 1.00 0.10 C ATOM 796 O GLU A 388 3.323 -8.968 -5.916 1.00 0.10 O ATOM 797 CB GLU A 388 1.715 -10.314 -3.486 1.00 0.09 C ATOM 798 CG GLU A 388 1.420 -11.273 -2.409 1.00 0.15 C ATOM 799 CD GLU A 388 1.529 -12.716 -2.845 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.680 -13.164 -3.640 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.460 -13.412 -2.390 1.00 0.71 O1- ATOM 0 H GLU A 388 3.783 -8.562 -3.336 1.00 0.09 H new ATOM 0 HA GLU A 388 3.536 -11.428 -3.944 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.558 -9.302 -3.113 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.007 -10.467 -4.301 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.105 -11.099 -1.580 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.413 -11.089 -2.034 1.00 0.15 H new ATOM 808 N GLU A 389 2.689 -11.108 -6.250 1.00 0.10 N ATOM 809 CA GLU A 389 2.418 -11.020 -7.661 1.00 0.11 C ATOM 810 C GLU A 389 1.148 -11.777 -7.963 1.00 0.16 C ATOM 811 O GLU A 389 1.022 -12.950 -7.597 1.00 0.28 O ATOM 812 CB GLU A 389 3.545 -11.597 -8.487 1.00 0.14 C ATOM 813 CG GLU A 389 4.729 -10.681 -8.593 1.00 0.16 C ATOM 814 CD GLU A 389 5.785 -11.202 -9.545 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.255 -12.346 -9.359 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.124 -10.485 -10.513 1.00 0.38 O ATOM 0 H GLU A 389 2.561 -12.048 -5.876 1.00 0.10 H new ATOM 0 HA GLU A 389 2.315 -9.967 -7.922 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.863 -12.542 -8.046 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.176 -11.820 -9.488 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.395 -9.699 -8.929 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.170 -10.547 -7.605 1.00 0.16 H new ATOM 823 N ASP A 390 0.232 -11.104 -8.624 1.00 0.12 N ATOM 824 CA ASP A 390 -1.073 -11.652 -8.938 1.00 0.15 C ATOM 825 C ASP A 390 -1.737 -12.144 -7.654 1.00 0.16 C ATOM 826 O ASP A 390 -2.209 -13.276 -7.530 1.00 0.25 O ATOM 827 CB ASP A 390 -0.920 -12.743 -9.979 1.00 0.19 C ATOM 828 CG ASP A 390 -2.253 -13.279 -10.462 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.014 -12.502 -11.084 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.543 -14.473 -10.242 1.00 0.36 O1- ATOM 0 H ASP A 390 0.372 -10.152 -8.963 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.724 -10.889 -9.364 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.360 -12.353 -10.829 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.334 -13.561 -9.559 1.00 0.19 H new ATOM 835 N ALA A 391 -1.706 -11.241 -6.688 1.00 0.12 N ATOM 836 CA ALA A 391 -2.293 -11.424 -5.378 1.00 0.11 C ATOM 837 C ALA A 391 -3.768 -11.130 -5.444 1.00 0.10 C ATOM 838 O ALA A 391 -4.252 -10.618 -6.438 1.00 0.11 O ATOM 839 CB ALA A 391 -1.654 -10.451 -4.428 1.00 0.10 C ATOM 0 H ALA A 391 -1.256 -10.332 -6.801 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.136 -12.449 -5.043 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.085 -10.576 -3.435 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.581 -10.637 -4.384 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.831 -9.433 -4.776 1.00 0.10 H new ATOM 845 N THR A 392 -4.495 -11.464 -4.414 1.00 0.11 N ATOM 846 CA THR A 392 -5.868 -11.022 -4.331 1.00 0.11 C ATOM 847 C THR A 392 -6.186 -10.435 -2.976 1.00 0.11 C ATOM 848 O THR A 392 -6.079 -11.091 -1.943 1.00 0.14 O ATOM 849 CB THR A 392 -6.872 -12.131 -4.673 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.489 -12.778 -5.894 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.264 -11.543 -4.829 1.00 0.15 C ATOM 0 H THR A 392 -4.171 -12.031 -3.630 1.00 0.11 H new ATOM 0 HA THR A 392 -5.972 -10.241 -5.084 1.00 0.11 H new ATOM 0 HB THR A 392 -6.878 -12.860 -3.863 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.133 -13.486 -6.105 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.970 -12.338 -5.072 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.563 -11.064 -3.897 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.259 -10.805 -5.631 1.00 0.15 H new ATOM 859 N LEU A 393 -6.570 -9.184 -3.019 1.00 0.10 N ATOM 860 CA LEU A 393 -6.923 -8.420 -1.834 1.00 0.12 C ATOM 861 C LEU A 393 -8.316 -8.715 -1.365 1.00 0.15 C ATOM 862 O LEU A 393 -9.286 -8.072 -1.757 1.00 0.16 O ATOM 863 CB LEU A 393 -6.797 -6.961 -2.163 1.00 0.11 C ATOM 864 CG LEU A 393 -5.412 -6.355 -2.064 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.385 -7.313 -2.594 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.377 -5.095 -2.878 1.00 0.51 C ATOM 0 H LEU A 393 -6.650 -8.654 -3.887 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.248 -8.700 -1.025 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.162 -6.809 -3.179 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.459 -6.405 -1.500 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.187 -6.139 -1.019 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.395 -6.864 -2.517 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.412 -8.234 -2.012 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.601 -7.537 -3.639 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.385 -4.649 -2.815 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.605 -5.327 -3.918 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.116 -4.392 -2.493 1.00 0.51 H new ATOM 878 N LYS A 394 -8.385 -9.697 -0.541 1.00 0.18 N ATOM 879 CA LYS A 394 -9.615 -10.112 0.070 1.00 0.23 C ATOM 880 C LYS A 394 -9.768 -9.642 1.483 1.00 0.29 C ATOM 881 O LYS A 394 -8.923 -8.923 2.023 1.00 0.29 O ATOM 882 CB LYS A 394 -9.602 -11.578 0.025 1.00 0.25 C ATOM 883 CG LYS A 394 -9.592 -12.025 -1.360 1.00 0.23 C ATOM 884 CD LYS A 394 -10.082 -13.376 -1.419 1.00 0.27 C ATOM 885 CE LYS A 394 -9.458 -13.971 -2.602 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.782 -15.410 -2.786 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.577 -10.252 -0.261 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.457 -9.675 -0.467 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.725 -11.960 0.547 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.477 -11.975 0.539 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.215 -11.372 -1.971 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.581 -11.973 -1.765 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.818 -13.928 -0.517 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.169 -13.395 -1.498 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.777 -13.420 -3.487 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.376 -13.857 -2.528 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.308 -15.766 -3.641 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.454 -15.948 -1.959 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.811 -15.524 -2.888 1.00 0.33 H new ATOM 1015 N GLU A 404 -13.011 -8.896 -2.686 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.774 -9.313 -3.302 1.00 0.21 C ATOM 1017 C GLU A 404 -11.283 -8.243 -4.243 1.00 0.20 C ATOM 1018 O GLU A 404 -12.073 -7.516 -4.842 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.953 -10.600 -4.092 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.128 -11.832 -3.230 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.451 -12.530 -3.455 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.590 -13.223 -4.484 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.357 -12.389 -2.606 1.00 0.53 O ATOM 0 HA GLU A 404 -11.052 -9.483 -2.504 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.822 -10.497 -4.742 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.087 -10.741 -4.738 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.316 -12.530 -3.435 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.047 -11.548 -2.181 1.00 0.24 H new ATOM 1030 N SER A 405 -9.978 -8.131 -4.348 1.00 0.16 N ATOM 1031 CA SER A 405 -9.379 -7.276 -5.331 1.00 0.15 C ATOM 1032 C SER A 405 -8.126 -7.931 -5.820 1.00 0.13 C ATOM 1033 O SER A 405 -7.075 -7.836 -5.191 1.00 0.11 O ATOM 1034 CB SER A 405 -9.012 -5.928 -4.737 1.00 0.15 C ATOM 1035 OG SER A 405 -9.790 -5.634 -3.586 1.00 0.19 O ATOM 0 H SER A 405 -9.312 -8.628 -3.757 1.00 0.16 H new ATOM 0 HA SER A 405 -10.092 -7.118 -6.140 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.954 -5.922 -4.473 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.158 -5.148 -5.485 1.00 0.15 H new ATOM 0 HG SER A 405 -9.527 -4.760 -3.228 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.217 -8.610 -6.943 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.094 -9.305 -7.505 1.00 0.14 C ATOM 1043 C PRO A 406 -6.079 -8.321 -8.007 1.00 0.13 C ATOM 1044 O PRO A 406 -6.285 -7.608 -8.989 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.706 -10.157 -8.613 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.158 -10.133 -8.319 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.409 -8.786 -7.747 1.00 0.18 C ATOM 0 HA PRO A 406 -6.553 -9.926 -6.791 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.491 -9.745 -9.599 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.312 -11.173 -8.599 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.747 -10.295 -9.222 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.432 -10.919 -7.615 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.505 -8.021 -8.517 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.320 -8.753 -7.149 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.988 -8.307 -7.300 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.993 -7.308 -7.422 1.00 0.09 C ATOM 1057 C VAL A 407 -2.776 -7.949 -8.063 1.00 0.11 C ATOM 1058 O VAL A 407 -2.635 -9.166 -8.056 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.741 -6.777 -5.996 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.475 -7.250 -5.371 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.921 -5.292 -5.872 1.00 0.08 C ATOM 0 H VAL A 407 -4.768 -9.018 -6.603 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.275 -6.466 -8.054 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.534 -7.235 -5.405 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.382 -6.826 -4.371 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.486 -8.338 -5.304 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.628 -6.933 -5.979 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.728 -4.987 -4.843 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.223 -4.784 -6.538 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.942 -5.025 -6.144 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.932 -7.157 -8.660 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.799 -7.684 -9.393 1.00 0.12 C ATOM 1073 C ASN A 408 0.364 -7.828 -8.458 1.00 0.10 C ATOM 1074 O ASN A 408 1.272 -8.615 -8.698 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.453 -6.747 -10.533 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.559 -6.683 -11.554 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.525 -7.360 -12.582 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.563 -5.883 -11.260 1.00 0.38 N ATOM 0 H ASN A 408 -2.001 -6.139 -8.658 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.044 -8.661 -9.809 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.263 -5.749 -10.139 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.467 -7.081 -11.013 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.356 -5.805 -11.896 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.547 -5.341 -10.396 1.00 0.38 H new ATOM 1085 N TYR A 409 0.303 -7.077 -7.375 1.00 0.08 N ATOM 1086 CA TYR A 409 1.417 -6.927 -6.459 1.00 0.06 C ATOM 1087 C TYR A 409 0.873 -6.466 -5.123 1.00 0.06 C ATOM 1088 O TYR A 409 0.158 -5.467 -5.046 1.00 0.06 O ATOM 1089 CB TYR A 409 2.476 -5.937 -6.981 1.00 0.06 C ATOM 1090 CG TYR A 409 3.156 -6.386 -8.260 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.598 -6.108 -9.499 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.333 -7.116 -8.226 1.00 0.11 C ATOM 1093 CE1 TYR A 409 3.190 -6.544 -10.667 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.935 -7.556 -9.388 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.360 -7.274 -10.605 1.00 0.17 C ATOM 1096 OH TYR A 409 4.963 -7.721 -11.761 1.00 0.27 O ATOM 0 H TYR A 409 -0.527 -6.550 -7.104 1.00 0.08 H new ATOM 0 HA TYR A 409 1.919 -7.889 -6.358 1.00 0.06 H new ATOM 0 HB2 TYR A 409 2.003 -4.970 -7.152 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.233 -5.789 -6.211 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.682 -5.539 -9.551 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.788 -7.345 -7.274 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.741 -6.316 -11.622 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.855 -8.120 -9.341 1.00 0.17 H new ATOM 0 HH TYR A 409 5.394 -8.585 -11.592 1.00 0.27 H new ATOM 1106 N TRP A 410 1.233 -7.175 -4.080 1.00 0.06 N ATOM 1107 CA TRP A 410 0.579 -7.035 -2.792 1.00 0.06 C ATOM 1108 C TRP A 410 1.555 -7.211 -1.658 1.00 0.06 C ATOM 1109 O TRP A 410 2.416 -8.077 -1.681 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.512 -8.086 -2.728 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.161 -8.281 -1.414 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.326 -9.458 -0.808 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.744 -7.296 -0.581 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.016 -9.287 0.371 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.281 -7.943 0.535 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.858 -5.934 -0.689 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.942 -7.236 1.554 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.496 -5.227 0.291 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.039 -5.872 1.409 1.00 0.07 C ATOM 0 H TRP A 410 1.985 -7.864 -4.095 1.00 0.06 H new ATOM 0 HA TRP A 410 0.160 -6.034 -2.690 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.282 -7.824 -3.454 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.087 -9.039 -3.044 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.971 -10.405 -1.186 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.286 -10.030 1.016 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.445 -5.422 -1.545 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.356 -7.742 2.414 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.583 -4.154 0.202 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.541 -5.290 2.168 1.00 0.07 H new ATOM 1130 N MET A 411 1.442 -6.349 -0.687 1.00 0.08 N ATOM 1131 CA MET A 411 2.218 -6.475 0.513 1.00 0.09 C ATOM 1132 C MET A 411 1.260 -6.623 1.683 1.00 0.12 C ATOM 1133 O MET A 411 0.763 -5.617 2.199 1.00 0.14 O ATOM 1134 CB MET A 411 3.093 -5.243 0.709 1.00 0.10 C ATOM 1135 CG MET A 411 3.811 -4.756 -0.540 1.00 0.09 C ATOM 1136 SD MET A 411 4.974 -5.951 -1.202 1.00 0.06 S ATOM 1137 CE MET A 411 5.899 -4.937 -2.347 1.00 0.06 C ATOM 0 H MET A 411 0.814 -5.545 -0.705 1.00 0.08 H new ATOM 0 HA MET A 411 2.869 -7.346 0.445 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.472 -4.433 1.092 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.837 -5.463 1.474 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.072 -4.516 -1.305 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.342 -3.833 -0.309 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.580 -5.155 -3.366 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.719 -3.884 -2.128 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.963 -5.152 -2.246 1.00 0.06 H new ATOM 1147 N PRO A 412 0.936 -7.865 2.084 1.00 0.13 N ATOM 1148 CA PRO A 412 0.044 -8.109 3.212 1.00 0.19 C ATOM 1149 C PRO A 412 0.684 -7.691 4.523 1.00 0.25 C ATOM 1150 O PRO A 412 1.268 -8.503 5.232 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.206 -9.617 3.179 1.00 0.24 C ATOM 1152 CG PRO A 412 0.964 -10.179 2.449 1.00 0.23 C ATOM 1153 CD PRO A 412 1.401 -9.119 1.472 1.00 0.16 C ATOM 0 HA PRO A 412 -0.878 -7.533 3.139 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.279 -10.028 4.186 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.141 -9.852 2.670 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.770 -10.428 3.139 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.694 -11.099 1.930 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.483 -9.121 1.337 1.00 0.16 H new ATOM 0 HD3 PRO A 412 0.956 -9.273 0.489 1.00 0.16 H new ATOM 1237 N VAL A 418 -4.021 -2.427 7.248 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.553 -1.823 6.005 1.00 0.26 C ATOM 1239 C VAL A 418 -2.867 -2.850 5.100 1.00 0.24 C ATOM 1240 O VAL A 418 -2.649 -3.997 5.483 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.559 -0.678 6.329 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.107 0.088 5.079 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.179 0.273 7.328 1.00 0.75 C ATOM 0 HA VAL A 418 -4.421 -1.432 5.474 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.668 -1.137 6.757 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.413 0.877 5.367 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.612 -0.598 4.391 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.975 0.530 4.589 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.476 1.075 7.552 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -4.092 0.697 6.909 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.417 -0.267 8.245 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.547 -2.427 3.894 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.728 -3.204 3.015 1.00 0.18 C ATOM 1255 C GLY A 419 -1.460 -2.443 1.759 1.00 0.14 C ATOM 1256 O GLY A 419 -2.379 -2.011 1.075 1.00 0.15 O ATOM 0 H GLY A 419 -2.852 -1.535 3.505 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.788 -3.453 3.506 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.224 -4.146 2.780 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.206 -2.262 1.464 1.00 0.10 N ATOM 1261 CA ILE A 420 0.176 -1.549 0.277 1.00 0.08 C ATOM 1262 C ILE A 420 0.113 -2.487 -0.917 1.00 0.08 C ATOM 1263 O ILE A 420 0.461 -3.666 -0.808 1.00 0.09 O ATOM 1264 CB ILE A 420 1.609 -0.998 0.395 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.665 0.298 1.210 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.189 -0.771 -0.980 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.444 0.112 2.689 1.00 0.29 C ATOM 0 H ILE A 420 0.573 -2.599 2.030 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.513 -0.714 0.147 1.00 0.08 H new ATOM 0 HB ILE A 420 2.203 -1.742 0.926 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.636 0.768 1.056 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.913 0.987 0.826 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.203 -0.381 -0.887 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.211 -1.714 -1.526 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.572 -0.053 -1.521 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.500 1.079 3.190 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.461 -0.327 2.858 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.211 -0.550 3.091 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.340 -1.968 -2.047 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.554 -2.805 -3.213 1.00 0.06 C ATOM 1281 C HIS A 421 -0.590 -1.987 -4.484 1.00 0.07 C ATOM 1282 O HIS A 421 -0.843 -0.788 -4.451 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.878 -3.525 -3.062 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.068 -2.635 -3.015 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.637 -2.027 -4.108 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.794 -2.265 -1.948 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.675 -1.310 -3.674 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.819 -1.421 -2.364 1.00 0.08 N ATOM 0 H HIS A 421 -0.564 -0.982 -2.180 1.00 0.07 H new ATOM 0 HA HIS A 421 0.272 -3.512 -3.282 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.994 -4.221 -3.893 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.850 -4.120 -2.149 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.323 -2.109 -5.075 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.612 -2.573 -0.929 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.315 -0.716 -4.310 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.370 -2.654 -5.605 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.531 -2.028 -6.895 1.00 0.07 C ATOM 1298 C ASP A 422 -2.012 -2.073 -7.260 1.00 0.11 C ATOM 1299 O ASP A 422 -2.716 -2.989 -6.877 1.00 0.20 O ATOM 1300 CB ASP A 422 0.312 -2.751 -7.946 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.472 -3.799 -8.714 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.918 -4.785 -8.098 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.657 -3.626 -9.936 1.00 0.80 O ATOM 0 H ASP A 422 -0.079 -3.631 -5.641 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.191 -0.993 -6.859 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.715 -2.020 -8.647 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.163 -3.227 -7.458 1.00 0.09 H new ATOM 1308 N SER A 423 -2.496 -1.068 -7.943 1.00 0.09 N ATOM 1309 CA SER A 423 -3.922 -0.941 -8.186 1.00 0.11 C ATOM 1310 C SER A 423 -4.173 -0.584 -9.622 1.00 0.14 C ATOM 1311 O SER A 423 -4.128 0.575 -10.013 1.00 0.17 O ATOM 1312 CB SER A 423 -4.524 0.120 -7.254 1.00 0.14 C ATOM 1313 OG SER A 423 -5.892 0.325 -7.531 1.00 0.23 O ATOM 0 H SER A 423 -1.928 -0.321 -8.344 1.00 0.09 H new ATOM 0 HA SER A 423 -4.402 -1.897 -7.979 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.403 -0.192 -6.217 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.982 1.059 -7.369 1.00 0.14 H new ATOM 0 HG SER A 423 -6.251 1.004 -6.922 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.477 -1.603 -10.394 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.662 -1.447 -11.815 1.00 0.21 C ATOM 1321 C ASP A 424 -6.076 -0.976 -12.097 1.00 0.24 C ATOM 1322 O ASP A 424 -6.397 -0.479 -13.175 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.372 -2.764 -12.510 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.687 -2.725 -13.990 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -4.010 -1.978 -14.727 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.617 -3.439 -14.424 1.00 0.37 O ATOM 0 H ASP A 424 -4.602 -2.557 -10.055 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.972 -0.697 -12.200 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.321 -3.019 -12.373 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.956 -3.555 -12.039 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.728 6.780 -10.925 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.241 7.984 -10.317 1.00 0.22 C ATOM 1388 C GLU A 428 -5.234 7.735 -9.229 1.00 0.21 C ATOM 1389 O GLU A 428 -5.262 6.732 -8.534 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.380 8.724 -9.666 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.240 7.836 -8.823 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.384 7.186 -9.561 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.859 7.762 -10.559 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.830 6.106 -9.121 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.772 8.549 -11.122 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -6.979 9.528 -9.048 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -7.993 9.190 -10.437 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.616 7.056 -8.387 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.644 8.421 -7.997 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.353 8.700 -9.100 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.456 8.821 -7.974 1.00 0.14 C ATOM 1403 C TYR A 429 -2.988 10.238 -7.959 1.00 0.17 C ATOM 1404 O TYR A 429 -2.527 10.764 -8.975 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.217 7.930 -7.979 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.417 6.560 -8.560 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.625 6.399 -9.921 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.390 5.436 -7.759 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.808 5.155 -10.469 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.574 4.181 -8.300 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.783 4.050 -9.657 1.00 0.25 C ATOM 1412 OH TYR A 429 -2.953 2.810 -10.209 1.00 0.33 O ATOM 0 H TYR A 429 -4.237 9.440 -9.792 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.026 8.503 -7.101 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.429 8.433 -8.540 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.861 7.824 -6.954 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.643 7.269 -10.561 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.223 5.541 -6.697 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -2.970 5.047 -11.531 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.555 3.307 -7.666 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.573 2.289 -9.658 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.112 10.848 -6.835 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.786 12.240 -6.736 1.00 0.17 C ATOM 1424 C GLY A 430 -3.253 12.797 -5.442 1.00 0.17 C ATOM 1425 O GLY A 430 -3.350 12.058 -4.459 1.00 0.16 O ATOM 0 H GLY A 430 -3.435 10.415 -5.970 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.708 12.374 -6.827 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.246 12.786 -7.560 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.453 14.107 -5.412 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.163 14.707 -4.313 1.00 0.21 C ATOM 1431 C GLY A 431 -5.339 13.889 -3.906 1.00 0.19 C ATOM 1432 O GLY A 431 -5.853 13.059 -4.663 1.00 0.18 O ATOM 0 H GLY A 431 -3.135 14.759 -6.129 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.489 14.823 -3.464 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.495 15.706 -4.596 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.816 14.221 -2.761 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.577 13.319 -1.953 1.00 0.21 C ATOM 1438 C ASP A 432 -7.757 12.700 -2.683 1.00 0.18 C ATOM 1439 O ASP A 432 -8.810 13.304 -2.869 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.054 14.122 -0.774 1.00 0.25 C ATOM 1441 CG ASP A 432 -5.916 14.643 0.081 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -5.384 15.724 -0.239 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -5.554 13.990 1.073 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.690 15.144 -2.345 1.00 0.21 H new ATOM 0 HA ASP A 432 -5.951 12.475 -1.662 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -7.649 14.963 -1.130 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -7.710 13.504 -0.161 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.532 11.448 -3.059 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.529 10.598 -3.682 1.00 0.13 C ATOM 1450 C LEU A 433 -9.207 9.759 -2.624 1.00 0.12 C ATOM 1451 O LEU A 433 -10.376 9.464 -2.701 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.859 9.709 -4.729 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.211 10.470 -5.870 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -6.226 9.584 -6.566 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -8.255 10.950 -6.854 1.00 1.08 C ATOM 0 H LEU A 433 -6.630 10.988 -2.935 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.282 11.211 -4.177 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -7.101 9.098 -4.239 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.603 9.026 -5.139 1.00 0.15 H new ATOM 0 HG LEU A 433 -6.696 11.340 -5.463 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -5.760 10.131 -7.386 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -5.459 9.267 -5.859 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -6.740 8.708 -6.960 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -7.769 11.493 -7.664 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -8.791 10.093 -7.262 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -8.958 11.610 -6.346 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.427 9.394 -1.620 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.855 8.485 -0.558 1.00 0.10 C ATOM 1469 C TRP A 434 -10.155 8.920 0.089 1.00 0.11 C ATOM 1470 O TRP A 434 -10.886 8.106 0.630 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.752 8.393 0.493 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.464 9.699 1.130 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.599 10.646 0.689 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.073 10.221 2.305 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.648 11.737 1.516 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.545 11.499 2.510 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -9.020 9.735 3.200 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.936 12.299 3.564 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.408 10.532 4.244 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.871 11.806 4.417 1.00 0.16 C ATOM 0 H TRP A 434 -7.467 9.722 -1.514 1.00 0.10 H new ATOM 0 HA TRP A 434 -9.037 7.508 -1.006 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -8.044 7.675 1.260 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.843 8.011 0.028 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.967 10.554 -0.182 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.100 12.590 1.404 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.441 8.748 3.074 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.513 13.283 3.706 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.143 10.167 4.946 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.205 12.413 5.245 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.416 10.216 0.059 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.603 10.760 0.672 1.00 0.14 C ATOM 1493 C LYS A 435 -12.772 10.805 -0.284 1.00 0.17 C ATOM 1494 O LYS A 435 -13.927 10.673 0.114 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.304 12.155 1.174 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.967 12.639 0.706 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.625 13.979 1.258 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.235 14.214 2.611 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.883 15.550 3.159 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.815 10.909 -0.387 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.884 10.106 1.498 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.079 12.839 0.830 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.333 12.163 2.264 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.201 11.922 0.999 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.961 12.685 -0.383 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.541 14.074 1.330 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.968 14.751 0.569 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.319 14.126 2.540 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.897 13.440 3.300 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.325 15.670 4.093 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.850 15.626 3.252 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.228 16.291 2.516 1.00 0.22 H new ATOM 1513 N THR A 436 -12.461 11.024 -1.533 1.00 0.16 N ATOM 1514 CA THR A 436 -13.477 11.172 -2.560 1.00 0.19 C ATOM 1515 C THR A 436 -13.808 9.827 -3.189 1.00 0.19 C ATOM 1516 O THR A 436 -14.960 9.525 -3.509 1.00 0.22 O ATOM 1517 CB THR A 436 -12.973 12.155 -3.632 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.203 11.478 -4.629 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.090 13.184 -2.971 1.00 0.21 C ATOM 0 H THR A 436 -11.503 11.106 -1.874 1.00 0.16 H new ATOM 0 HA THR A 436 -14.388 11.563 -2.107 1.00 0.19 H new ATOM 0 HB THR A 436 -13.837 12.621 -4.106 1.00 0.23 H new ATOM 0 HG1 THR A 436 -11.896 12.124 -5.299 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.726 13.887 -3.721 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.662 13.723 -2.216 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.243 12.687 -2.498 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.772 9.033 -3.362 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.872 7.725 -3.971 1.00 0.20 C ATOM 1529 C ARG A 437 -12.928 6.655 -2.896 1.00 0.20 C ATOM 1530 O ARG A 437 -13.333 5.523 -3.152 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.639 7.533 -4.838 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.139 8.808 -5.384 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.578 8.607 -6.740 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.639 8.524 -7.737 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.842 9.422 -8.701 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -11.022 10.456 -8.840 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.870 9.284 -9.526 1.00 1.47 N ATOM 0 H ARG A 437 -11.824 9.282 -3.079 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.778 7.647 -4.571 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.853 7.058 -4.250 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.876 6.856 -5.659 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.949 9.536 -5.423 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.374 9.218 -4.725 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.907 9.430 -6.986 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.983 7.694 -6.760 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.269 7.723 -7.694 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.230 10.568 -8.207 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -11.184 11.139 -9.580 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.504 8.492 -9.423 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -13.027 9.970 -10.264 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.509 7.046 -1.697 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.808 6.293 -0.500 1.00 0.18 C ATOM 1553 C GLY A 438 -12.446 4.822 -0.560 1.00 0.21 C ATOM 1554 O GLY A 438 -13.270 3.981 -0.198 1.00 0.24 O ATOM 0 H GLY A 438 -11.957 7.888 -1.536 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.280 6.748 0.338 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.874 6.381 -0.291 1.00 0.18 H new ATOM 1558 N SER A 439 -11.245 4.481 -0.999 1.00 0.22 N ATOM 1559 CA SER A 439 -10.946 3.081 -1.218 1.00 0.27 C ATOM 1560 C SER A 439 -10.513 2.389 0.074 1.00 0.27 C ATOM 1561 O SER A 439 -9.421 2.630 0.588 1.00 0.27 O ATOM 1562 CB SER A 439 -9.860 2.949 -2.282 1.00 0.31 C ATOM 1563 OG SER A 439 -8.816 3.879 -2.048 1.00 1.01 O ATOM 0 H SER A 439 -10.486 5.131 -1.204 1.00 0.22 H new ATOM 0 HA SER A 439 -11.855 2.588 -1.563 1.00 0.27 H new ATOM 0 HB2 SER A 439 -9.459 1.935 -2.276 1.00 0.31 H new ATOM 0 HB3 SER A 439 -10.289 3.117 -3.270 1.00 0.31 H new ATOM 0 HG SER A 439 -8.574 3.867 -1.098 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.394 1.503 0.549 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.183 0.682 1.748 1.00 0.32 C ATOM 1571 C HIS A 440 -10.400 1.402 2.848 1.00 0.28 C ATOM 1572 O HIS A 440 -10.811 2.463 3.326 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.488 -0.633 1.394 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.326 -1.602 0.625 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.581 -1.989 1.028 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -11.072 -2.280 -0.522 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -13.067 -2.859 0.167 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.175 -3.052 -0.788 1.00 0.48 N ATOM 0 H HIS A 440 -12.294 1.332 0.101 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.177 0.477 2.146 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.593 -0.409 0.814 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.158 -1.112 2.316 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.171 -2.223 -1.115 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -14.034 -3.335 0.231 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.287 -3.672 -1.590 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.267 0.816 3.233 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.489 1.339 4.335 1.00 0.22 C ATOM 1589 C GLY A 441 -7.006 1.478 4.025 1.00 0.17 C ATOM 1590 O GLY A 441 -6.303 2.218 4.714 1.00 0.26 O ATOM 0 H GLY A 441 -8.876 -0.018 2.795 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -8.885 2.314 4.617 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.611 0.684 5.198 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.513 0.777 3.002 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.086 0.777 2.718 1.00 0.15 C ATOM 1596 C CYS A 442 -4.715 1.723 1.586 1.00 0.13 C ATOM 1597 O CYS A 442 -5.473 2.610 1.218 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.600 -0.626 2.370 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.355 -1.323 0.888 1.00 0.35 S ATOM 0 H CYS A 442 -7.076 0.211 2.367 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.597 1.126 3.627 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.519 -0.601 2.236 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.802 -1.288 3.212 1.00 0.24 H new ATOM 0 HG CYS A 442 -4.876 -2.513 0.676 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.479 1.572 1.118 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.897 2.471 0.135 1.00 0.07 C ATOM 1606 C ILE A 443 -2.981 1.878 -1.258 1.00 0.08 C ATOM 1607 O ILE A 443 -2.510 0.767 -1.501 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.415 2.772 0.456 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.253 3.707 1.667 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.715 3.383 -0.755 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.667 3.119 3.002 1.00 0.11 C ATOM 0 H ILE A 443 -2.855 0.821 1.412 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.469 3.398 0.175 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.952 1.818 0.707 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.209 4.012 1.732 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.838 4.609 1.489 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.327 3.587 -0.508 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.760 2.685 -1.591 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.212 4.313 -1.031 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.514 3.858 3.788 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.720 2.841 2.966 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.065 2.235 3.213 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.551 2.641 -2.171 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.722 2.193 -3.543 1.00 0.08 C ATOM 1625 C ASN A 444 -2.603 2.743 -4.415 1.00 0.07 C ATOM 1626 O ASN A 444 -2.616 3.905 -4.811 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.082 2.616 -4.086 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.237 1.743 -3.611 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.222 1.559 -4.329 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.125 1.186 -2.413 1.00 0.15 N ATOM 0 H ASN A 444 -3.906 3.579 -1.987 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.677 1.104 -3.560 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.275 3.648 -3.791 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.049 2.596 -5.175 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.868 0.584 -2.059 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.296 1.360 -1.845 1.00 0.15 H new ATOM 1637 N THR A 445 -1.624 1.900 -4.670 1.00 0.08 N ATOM 1638 CA THR A 445 -0.434 2.256 -5.396 1.00 0.08 C ATOM 1639 C THR A 445 -0.515 1.871 -6.865 1.00 0.08 C ATOM 1640 O THR A 445 -1.096 0.868 -7.217 1.00 0.10 O ATOM 1641 CB THR A 445 0.728 1.541 -4.719 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.558 1.593 -3.298 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.022 2.174 -5.083 1.00 0.06 C ATOM 0 H THR A 445 -1.639 0.926 -4.369 1.00 0.08 H new ATOM 0 HA THR A 445 -0.303 3.338 -5.377 1.00 0.08 H new ATOM 0 HB THR A 445 0.740 0.504 -5.056 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.414 1.811 -2.874 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.837 1.646 -4.588 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.161 2.124 -6.163 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.019 3.217 -4.766 1.00 0.06 H new ATOM 1651 N PRO A 446 0.044 2.716 -7.734 1.00 0.08 N ATOM 1652 CA PRO A 446 0.122 2.475 -9.179 1.00 0.10 C ATOM 1653 C PRO A 446 0.661 1.113 -9.529 1.00 0.14 C ATOM 1654 O PRO A 446 1.559 0.586 -8.869 1.00 0.24 O ATOM 1655 CB PRO A 446 1.072 3.567 -9.654 1.00 0.10 C ATOM 1656 CG PRO A 446 0.877 4.669 -8.687 1.00 0.08 C ATOM 1657 CD PRO A 446 0.622 4.013 -7.370 1.00 0.07 C ATOM 0 HA PRO A 446 -0.862 2.500 -9.646 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.105 3.220 -9.659 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.837 3.884 -10.670 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.758 5.309 -8.641 1.00 0.08 H new ATOM 0 HG3 PRO A 446 0.038 5.301 -8.978 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.542 3.895 -6.797 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.063 4.599 -6.757 1.00 0.07 H new ATOM 1665 N PRO A 447 0.131 0.540 -10.602 1.00 0.12 N ATOM 1666 CA PRO A 447 0.457 -0.810 -11.010 1.00 0.12 C ATOM 1667 C PRO A 447 1.914 -0.940 -11.442 1.00 0.14 C ATOM 1668 O PRO A 447 2.525 -2.003 -11.324 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.473 -1.056 -12.189 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.533 -0.044 -12.050 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.831 1.152 -11.526 1.00 0.13 C ATOM 0 HA PRO A 447 0.333 -1.527 -10.198 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.054 -0.949 -13.137 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.884 -2.065 -12.165 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.013 0.164 -13.007 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.314 -0.378 -11.367 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.338 1.718 -12.316 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.510 1.837 -11.018 1.00 0.13 H new ATOM 1679 N SER A 448 2.467 0.164 -11.916 1.00 0.12 N ATOM 1680 CA SER A 448 3.823 0.193 -12.429 1.00 0.11 C ATOM 1681 C SER A 448 4.864 0.167 -11.310 1.00 0.09 C ATOM 1682 O SER A 448 6.008 -0.203 -11.521 1.00 0.09 O ATOM 1683 CB SER A 448 4.015 1.456 -13.261 1.00 0.14 C ATOM 1684 OG SER A 448 2.980 1.600 -14.218 1.00 1.10 O ATOM 0 H SER A 448 1.988 1.064 -11.955 1.00 0.12 H new ATOM 0 HA SER A 448 3.967 -0.699 -13.038 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.032 2.327 -12.606 1.00 0.14 H new ATOM 0 HB3 SER A 448 4.980 1.418 -13.767 1.00 0.14 H new ATOM 0 HG SER A 448 3.126 2.418 -14.737 1.00 1.10 H new ATOM 1690 N VAL A 449 4.475 0.609 -10.124 1.00 0.07 N ATOM 1691 CA VAL A 449 5.439 0.856 -9.067 1.00 0.06 C ATOM 1692 C VAL A 449 5.504 -0.250 -8.058 1.00 0.05 C ATOM 1693 O VAL A 449 6.568 -0.739 -7.741 1.00 0.05 O ATOM 1694 CB VAL A 449 5.126 2.180 -8.395 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.177 3.262 -9.435 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.781 2.126 -7.733 1.00 0.06 C ATOM 0 H VAL A 449 3.506 0.802 -9.872 1.00 0.07 H new ATOM 0 HA VAL A 449 6.425 0.899 -9.530 1.00 0.06 H new ATOM 0 HB VAL A 449 5.861 2.390 -7.618 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.954 4.223 -8.971 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.173 3.295 -9.878 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.441 3.055 -10.212 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.572 3.083 -7.256 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.016 1.918 -8.481 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.777 1.337 -6.981 1.00 0.06 H new ATOM 1706 N MET A 450 4.383 -0.675 -7.559 1.00 0.05 N ATOM 1707 CA MET A 450 4.390 -1.709 -6.555 1.00 0.05 C ATOM 1708 C MET A 450 4.878 -3.017 -7.153 1.00 0.05 C ATOM 1709 O MET A 450 5.046 -4.010 -6.448 1.00 0.06 O ATOM 1710 CB MET A 450 3.025 -1.837 -5.894 1.00 0.07 C ATOM 1711 CG MET A 450 2.983 -1.358 -4.447 1.00 0.06 C ATOM 1712 SD MET A 450 3.274 -2.677 -3.247 1.00 0.06 S ATOM 1713 CE MET A 450 2.957 -4.121 -4.230 1.00 0.05 C ATOM 0 H MET A 450 3.460 -0.331 -7.823 1.00 0.05 H new ATOM 0 HA MET A 450 5.089 -1.435 -5.765 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.298 -1.268 -6.474 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.714 -2.881 -5.928 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.732 -0.578 -4.308 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.011 -0.905 -4.250 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.799 -4.979 -3.576 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.067 -3.959 -4.838 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.810 -4.313 -4.881 1.00 0.05 H new ATOM 1723 N LYS A 451 5.159 -3.008 -8.434 1.00 0.05 N ATOM 1724 CA LYS A 451 5.750 -4.161 -9.055 1.00 0.05 C ATOM 1725 C LYS A 451 7.242 -4.133 -8.783 1.00 0.05 C ATOM 1726 O LYS A 451 7.882 -5.146 -8.482 1.00 0.06 O ATOM 1727 CB LYS A 451 5.493 -4.138 -10.540 1.00 0.06 C ATOM 1728 CG LYS A 451 6.247 -3.066 -11.186 1.00 0.06 C ATOM 1729 CD LYS A 451 6.007 -3.030 -12.646 1.00 0.08 C ATOM 1730 CE LYS A 451 7.101 -2.256 -13.295 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.351 -3.048 -13.445 1.00 0.92 N1+ ATOM 0 H LYS A 451 4.988 -2.220 -9.059 1.00 0.05 H new ATOM 0 HA LYS A 451 5.312 -5.072 -8.648 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.772 -5.097 -10.976 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.428 -4.001 -10.726 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.966 -2.108 -10.747 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.311 -3.204 -10.996 1.00 0.06 H new ATOM 0 HD2 LYS A 451 5.972 -4.043 -13.047 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.042 -2.570 -12.858 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.769 -1.918 -14.277 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.309 -1.364 -12.705 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.127 -2.571 -12.943 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.211 -3.997 -13.043 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.590 -3.131 -14.454 1.00 0.92 H new ATOM 1745 N GLU A 452 7.747 -2.898 -8.840 1.00 0.05 N ATOM 1746 CA GLU A 452 9.120 -2.570 -8.676 1.00 0.05 C ATOM 1747 C GLU A 452 9.485 -2.974 -7.308 1.00 0.05 C ATOM 1748 O GLU A 452 10.521 -3.552 -7.028 1.00 0.06 O ATOM 1749 CB GLU A 452 9.209 -1.074 -8.757 1.00 0.05 C ATOM 1750 CG GLU A 452 8.713 -0.523 -10.049 1.00 0.07 C ATOM 1751 CD GLU A 452 9.783 -0.354 -11.099 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.008 -1.307 -11.875 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.392 0.729 -11.165 1.00 0.25 O1- ATOM 0 H GLU A 452 7.163 -2.079 -9.011 1.00 0.05 H new ATOM 0 HA GLU A 452 9.762 -3.049 -9.416 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.634 -0.638 -7.940 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.246 -0.770 -8.615 1.00 0.05 H new ATOM 0 HG2 GLU A 452 7.938 -1.182 -10.439 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.245 0.444 -9.863 1.00 0.07 H new ATOM 1760 N LEU A 453 8.576 -2.560 -6.467 1.00 0.04 N ATOM 1761 CA LEU A 453 8.515 -2.891 -5.104 1.00 0.04 C ATOM 1762 C LEU A 453 8.710 -4.340 -4.861 1.00 0.05 C ATOM 1763 O LEU A 453 9.694 -4.723 -4.265 1.00 0.05 O ATOM 1764 CB LEU A 453 7.148 -2.500 -4.622 1.00 0.04 C ATOM 1765 CG LEU A 453 7.147 -1.910 -3.273 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.321 -1.039 -3.136 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.936 -1.105 -3.032 1.00 0.05 C ATOM 0 H LEU A 453 7.817 -1.942 -6.754 1.00 0.04 H new ATOM 0 HA LEU A 453 9.313 -2.369 -4.577 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.715 -1.786 -5.322 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.505 -3.380 -4.625 1.00 0.04 H new ATOM 0 HG LEU A 453 7.170 -2.723 -2.547 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.331 -0.596 -2.140 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.228 -1.626 -3.281 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.277 -0.248 -3.885 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.972 -0.686 -2.026 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.886 -0.296 -3.761 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.053 -1.737 -3.131 1.00 0.05 H new ATOM 1779 N PHE A 454 7.771 -5.130 -5.304 1.00 0.05 N ATOM 1780 CA PHE A 454 7.895 -6.585 -5.192 1.00 0.06 C ATOM 1781 C PHE A 454 9.300 -7.016 -5.623 1.00 0.07 C ATOM 1782 O PHE A 454 9.836 -8.029 -5.167 1.00 0.09 O ATOM 1783 CB PHE A 454 6.820 -7.296 -6.039 1.00 0.07 C ATOM 1784 CG PHE A 454 6.971 -8.803 -6.114 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.903 -9.364 -6.979 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.198 -9.663 -5.330 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.070 -10.731 -7.058 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.365 -11.032 -5.417 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.302 -11.565 -6.276 1.00 0.12 C ATOM 0 H PHE A 454 6.910 -4.808 -5.746 1.00 0.05 H new ATOM 0 HA PHE A 454 7.739 -6.873 -4.152 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.838 -7.062 -5.627 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.846 -6.890 -7.050 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.507 -8.719 -7.600 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.464 -9.255 -4.651 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.803 -11.147 -7.733 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.759 -11.687 -4.809 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.434 -12.635 -6.336 1.00 0.12 H new ATOM 1799 N GLY A 455 9.913 -6.172 -6.447 1.00 0.06 N ATOM 1800 CA GLY A 455 11.204 -6.479 -7.009 1.00 0.08 C ATOM 1801 C GLY A 455 12.331 -6.017 -6.108 1.00 0.08 C ATOM 1802 O GLY A 455 13.424 -6.582 -6.137 1.00 0.13 O ATOM 0 H GLY A 455 9.528 -5.272 -6.735 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.284 -7.554 -7.170 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.299 -6.002 -7.985 1.00 0.08 H new ATOM 1806 N MET A 456 12.077 -4.977 -5.309 1.00 0.06 N ATOM 1807 CA MET A 456 13.067 -4.502 -4.370 1.00 0.05 C ATOM 1808 C MET A 456 12.822 -4.964 -2.966 1.00 0.05 C ATOM 1809 O MET A 456 13.751 -5.374 -2.273 1.00 0.06 O ATOM 1810 CB MET A 456 13.175 -3.004 -4.381 1.00 0.05 C ATOM 1811 CG MET A 456 11.885 -2.305 -4.518 1.00 0.04 C ATOM 1812 SD MET A 456 11.914 -1.119 -5.850 1.00 0.05 S ATOM 1813 CE MET A 456 10.466 -0.247 -5.373 1.00 0.04 C ATOM 0 H MET A 456 11.198 -4.459 -5.301 1.00 0.06 H new ATOM 0 HA MET A 456 14.007 -4.938 -4.709 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.655 -2.679 -3.458 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.827 -2.704 -5.202 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.094 -3.033 -4.697 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.646 -1.797 -3.584 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.649 -0.501 -6.049 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.194 -0.524 -4.355 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.655 0.825 -5.419 1.00 0.04 H new ATOM 1823 N VAL A 457 11.597 -4.887 -2.526 1.00 0.05 N ATOM 1824 CA VAL A 457 11.290 -5.316 -1.190 1.00 0.05 C ATOM 1825 C VAL A 457 11.301 -6.807 -1.078 1.00 0.07 C ATOM 1826 O VAL A 457 11.043 -7.546 -2.032 1.00 0.08 O ATOM 1827 CB VAL A 457 9.978 -4.733 -0.636 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.232 -3.923 -1.673 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.101 -5.823 -0.051 1.00 0.05 C ATOM 0 H VAL A 457 10.805 -4.536 -3.064 1.00 0.05 H new ATOM 0 HA VAL A 457 12.087 -4.913 -0.565 1.00 0.05 H new ATOM 0 HB VAL A 457 10.245 -4.048 0.168 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.313 -3.532 -1.237 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.857 -3.095 -2.006 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.988 -4.558 -2.524 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.181 -5.383 0.333 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.859 -6.551 -0.826 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.632 -6.320 0.761 1.00 0.05 H new ATOM 1839 N GLU A 458 11.647 -7.223 0.102 1.00 0.08 N ATOM 1840 CA GLU A 458 11.765 -8.599 0.416 1.00 0.10 C ATOM 1841 C GLU A 458 10.840 -8.898 1.568 1.00 0.09 C ATOM 1842 O GLU A 458 10.453 -7.994 2.303 1.00 0.10 O ATOM 1843 CB GLU A 458 13.209 -8.882 0.805 1.00 0.13 C ATOM 1844 CG GLU A 458 14.086 -7.659 0.701 1.00 0.20 C ATOM 1845 CD GLU A 458 15.424 -7.813 1.397 1.00 0.27 C ATOM 1846 OE1 GLU A 458 16.217 -8.686 0.987 1.00 0.48 O1- ATOM 1847 OE2 GLU A 458 15.690 -7.063 2.360 1.00 0.46 O ATOM 0 H GLU A 458 11.857 -6.599 0.881 1.00 0.08 H new ATOM 0 HA GLU A 458 11.497 -9.225 -0.435 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.239 -9.261 1.827 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.608 -9.667 0.162 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.257 -7.433 -0.351 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.559 -6.806 1.129 1.00 0.20 H new ATOM 1854 N LYS A 459 10.441 -10.151 1.688 1.00 0.11 N ATOM 1855 CA LYS A 459 9.685 -10.587 2.840 1.00 0.13 C ATOM 1856 C LYS A 459 10.461 -10.275 4.089 1.00 0.15 C ATOM 1857 O LYS A 459 11.413 -10.972 4.444 1.00 0.18 O ATOM 1858 CB LYS A 459 9.358 -12.066 2.792 1.00 0.16 C ATOM 1859 CG LYS A 459 8.488 -12.414 1.618 1.00 0.22 C ATOM 1860 CD LYS A 459 9.239 -13.207 0.582 1.00 0.70 C ATOM 1861 CE LYS A 459 9.516 -14.622 1.069 1.00 0.40 C ATOM 1862 NZ LYS A 459 10.239 -15.436 0.055 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.629 -10.881 1.001 1.00 0.11 H new ATOM 0 HA LYS A 459 8.737 -10.050 2.838 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.283 -12.640 2.740 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.855 -12.356 3.714 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.627 -12.987 1.961 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.103 -11.499 1.167 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.661 -13.244 -0.342 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.180 -12.708 0.350 1.00 0.70 H new ATOM 0 HE2 LYS A 459 10.105 -14.580 1.985 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.573 -15.109 1.318 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 10.405 -16.391 0.431 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.667 -15.500 -0.811 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 11.151 -14.987 -0.165 1.00 0.99 H new ATOM 1876 N GLY A 460 10.027 -9.227 4.741 1.00 0.15 N ATOM 1877 CA GLY A 460 10.702 -8.751 5.928 1.00 0.19 C ATOM 1878 C GLY A 460 11.010 -7.275 5.846 1.00 0.15 C ATOM 1879 O GLY A 460 11.482 -6.676 6.804 1.00 0.17 O ATOM 0 H GLY A 460 9.207 -8.683 4.472 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.080 -8.944 6.802 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.628 -9.308 6.067 1.00 0.19 H new ATOM 1883 N THR A 461 10.757 -6.696 4.686 1.00 0.12 N ATOM 1884 CA THR A 461 10.885 -5.277 4.496 1.00 0.07 C ATOM 1885 C THR A 461 9.783 -4.560 5.270 1.00 0.08 C ATOM 1886 O THR A 461 8.698 -5.101 5.458 1.00 0.13 O ATOM 1887 CB THR A 461 10.823 -4.958 2.983 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.050 -5.345 2.348 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.543 -3.493 2.728 1.00 0.05 C ATOM 0 H THR A 461 10.457 -7.204 3.854 1.00 0.12 H new ATOM 0 HA THR A 461 11.844 -4.927 4.877 1.00 0.07 H new ATOM 0 HB THR A 461 9.998 -5.530 2.557 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.220 -4.760 1.580 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.507 -3.311 1.654 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.586 -3.223 3.174 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.334 -2.889 3.172 1.00 0.05 H new ATOM 1897 N PRO A 462 10.045 -3.354 5.775 1.00 0.09 N ATOM 1898 CA PRO A 462 9.088 -2.610 6.534 1.00 0.14 C ATOM 1899 C PRO A 462 8.272 -1.736 5.619 1.00 0.13 C ATOM 1900 O PRO A 462 8.711 -1.336 4.542 1.00 0.18 O ATOM 1901 CB PRO A 462 9.969 -1.770 7.463 1.00 0.18 C ATOM 1902 CG PRO A 462 11.372 -2.028 7.029 1.00 0.13 C ATOM 1903 CD PRO A 462 11.267 -2.580 5.660 1.00 0.09 C ATOM 0 HA PRO A 462 8.373 -3.230 7.075 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.723 -0.711 7.384 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.823 -2.055 8.505 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.961 -1.111 7.038 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.867 -2.731 7.699 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.192 -1.799 4.904 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.125 -3.198 5.396 1.00 0.09 H new ATOM 1911 N VAL A 463 7.079 -1.482 6.039 1.00 0.09 N ATOM 1912 CA VAL A 463 6.142 -0.731 5.267 1.00 0.09 C ATOM 1913 C VAL A 463 5.714 0.470 6.050 1.00 0.08 C ATOM 1914 O VAL A 463 5.435 0.373 7.222 1.00 0.10 O ATOM 1915 CB VAL A 463 4.935 -1.602 4.959 1.00 0.19 C ATOM 1916 CG1 VAL A 463 3.669 -0.778 4.938 1.00 0.57 C ATOM 1917 CG2 VAL A 463 5.173 -2.311 3.651 1.00 0.54 C ATOM 0 H VAL A 463 6.720 -1.794 6.941 1.00 0.09 H new ATOM 0 HA VAL A 463 6.602 -0.409 4.332 1.00 0.09 H new ATOM 0 HB VAL A 463 4.804 -2.349 5.742 1.00 0.19 H new ATOM 0 HG11 VAL A 463 2.819 -1.423 4.716 1.00 0.57 H new ATOM 0 HG12 VAL A 463 3.524 -0.309 5.911 1.00 0.57 H new ATOM 0 HG13 VAL A 463 3.750 -0.007 4.172 1.00 0.57 H new ATOM 0 HG21 VAL A 463 4.314 -2.940 3.417 1.00 0.54 H new ATOM 0 HG22 VAL A 463 5.311 -1.576 2.858 1.00 0.54 H new ATOM 0 HG23 VAL A 463 6.066 -2.931 3.730 1.00 0.54 H new ATOM 1927 N LEU A 464 5.696 1.604 5.441 1.00 0.07 N ATOM 1928 CA LEU A 464 5.275 2.765 6.139 1.00 0.07 C ATOM 1929 C LEU A 464 4.310 3.524 5.309 1.00 0.07 C ATOM 1930 O LEU A 464 4.332 3.433 4.099 1.00 0.09 O ATOM 1931 CB LEU A 464 6.469 3.619 6.471 1.00 0.10 C ATOM 1932 CG LEU A 464 7.414 3.004 7.461 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.471 2.233 6.744 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.014 4.085 8.315 1.00 0.13 C ATOM 0 H LEU A 464 5.966 1.751 4.468 1.00 0.07 H new ATOM 0 HA LEU A 464 4.785 2.473 7.068 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.014 3.834 5.552 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.120 4.573 6.865 1.00 0.10 H new ATOM 0 HG LEU A 464 6.874 2.312 8.107 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.153 1.790 7.469 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.007 1.444 6.152 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.026 2.902 6.086 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.701 3.641 9.035 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.556 4.789 7.683 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.221 4.611 8.847 1.00 0.13 H new ATOM 1946 N VAL A 465 3.408 4.174 5.981 1.00 0.06 N ATOM 1947 CA VAL A 465 2.572 5.182 5.391 1.00 0.05 C ATOM 1948 C VAL A 465 2.472 6.265 6.428 1.00 0.08 C ATOM 1949 O VAL A 465 2.500 5.937 7.599 1.00 0.10 O ATOM 1950 CB VAL A 465 1.177 4.632 4.980 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.247 3.147 4.700 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.136 4.940 6.004 1.00 0.08 C ATOM 0 H VAL A 465 3.227 4.018 6.973 1.00 0.06 H new ATOM 0 HA VAL A 465 2.997 5.555 4.459 1.00 0.05 H new ATOM 0 HB VAL A 465 0.882 5.138 4.061 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.260 2.784 4.414 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.951 2.963 3.888 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.581 2.623 5.596 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.824 4.539 5.679 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.416 4.487 6.955 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.055 6.020 6.127 1.00 0.08 H new ATOM 1962 N PHE A 466 2.482 7.528 6.019 1.00 0.10 N ATOM 1963 CA PHE A 466 2.439 8.654 6.950 1.00 0.15 C ATOM 1964 C PHE A 466 2.471 9.988 6.214 1.00 0.21 C ATOM 1965 O PHE A 466 3.510 10.676 6.239 1.00 1.09 O ATOM 1966 CB PHE A 466 3.563 8.557 7.999 1.00 0.17 C ATOM 1967 CG PHE A 466 4.958 8.364 7.464 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.342 7.132 7.007 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.877 9.399 7.445 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.621 6.914 6.524 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.159 9.195 6.964 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.528 7.948 6.502 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.427 10.356 5.645 1.00 1.06 O ATOM 0 H PHE A 466 2.520 7.802 5.037 1.00 0.10 H new ATOM 0 HA PHE A 466 1.490 8.603 7.484 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.550 9.466 8.600 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.335 7.728 8.669 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.635 6.316 7.024 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.591 10.375 7.809 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.906 5.936 6.166 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.868 10.009 6.950 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.526 7.784 6.124 1.00 0.30 H new