USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=31 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 141:sc= -3! (180deg=-5!) USER MOD Set 1.2: A 450 MET CE :methyl -166:sc= -5.25! (180deg=-6.4!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.01! C(o=-1.6!,f=-8.9!) USER MOD Set 2.2: A 439 SER OG : rot 177:sc= 1.37 USER MOD Set 2.3: A 442 CYS SG : rot 180:sc= -0.0152 USER MOD Set 2.4: A 444 ASN : amide:sc= 0.0234 K(o=-1.6,f=-6!) USER MOD Set 3.1: A 356 TYR OH : rot 18:sc= -6.59! USER MOD Set 3.2: A 358 LYS NZ :NH3+ -177:sc= 1.18 (180deg=-0.01) USER MOD Single : A 343 THR OG1 : rot 19:sc= 0.749 USER MOD Single : A 344 TYR OH : rot 96:sc= 0.561 USER MOD Single : A 351 ASN : amide:sc= -2.19! K(o=-2.2!,f=-1.5) USER MOD Single : A 352 GLN : amide:sc= -2.34! C(o=-2.3!,f=-4.5!) USER MOD Single : A 353 HIS : no HE2:sc= -6.54! C(o=-6.5!,f=-7.7!) USER MOD Single : A 354 MET CE :methyl -136:sc= -5.25! (180deg=-6.41!) USER MOD Single : A 357 TYR OH : rot 40:sc= 0.695 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 41:sc= -5.58! USER MOD Single : A 370 SER OG : rot 130:sc= -0.777 USER MOD Single : A 372 LYS NZ :NH3+ 167:sc= 0.245 (180deg=0.182) USER MOD Single : A 374 THR OG1 : rot 180:sc= -2.31! USER MOD Single : A 375 THR OG1 : rot -68:sc= 0.524 USER MOD Single : A 377 THR OG1 : rot -32:sc= 0.763! USER MOD Single : A 383 TYR OH : rot -80:sc= 1.19 USER MOD Single : A 386 ASN : amide:sc= -0.759! X(o=-0.76!,f=-0.82) USER MOD Single : A 387 LYS NZ :NH3+ -154:sc= 1.39 (180deg=0.844) 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= -0.137 X(o=-0.14,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= -0.0036 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -130:sc= -4.5! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 445 THR OG1 : rot -133:sc= 0.979 USER MOD Single : A 448 SER OG : rot 180:sc= -0.145 USER MOD Single : A 451 LYS NZ :NH3+ -118:sc= 0.876 (180deg=-0.102) USER MOD Single : A 456 MET CE :methyl -110:sc= -20.5! (180deg=-28.5!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -20:sc= -1.08! USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.235 0.885 6.240 1.00 0.24 N ATOM 61 CA ASP A 342 17.423 1.829 5.507 1.00 0.20 C ATOM 62 C ASP A 342 16.978 1.227 4.191 1.00 0.17 C ATOM 63 O ASP A 342 17.572 1.481 3.144 1.00 0.19 O ATOM 64 CB ASP A 342 18.174 3.134 5.229 1.00 0.22 C ATOM 65 CG ASP A 342 18.750 3.779 6.475 1.00 0.31 C ATOM 66 OD1 ASP A 342 19.877 3.418 6.877 1.00 0.43 O1- ATOM 67 OD2 ASP A 342 18.076 4.658 7.058 1.00 0.39 O ATOM 0 HA ASP A 342 16.556 2.056 6.128 1.00 0.20 H new ATOM 0 HB2 ASP A 342 18.983 2.936 4.526 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.496 3.838 4.746 1.00 0.22 H new ATOM 72 N THR A 343 15.908 0.460 4.268 1.00 0.13 N ATOM 73 CA THR A 343 15.162 -0.004 3.118 1.00 0.10 C ATOM 74 C THR A 343 13.765 -0.367 3.562 1.00 0.08 C ATOM 75 O THR A 343 13.594 -1.030 4.588 1.00 0.10 O ATOM 76 CB THR A 343 15.771 -1.226 2.422 1.00 0.11 C ATOM 77 OG1 THR A 343 17.030 -0.887 1.828 1.00 0.14 O ATOM 78 CG2 THR A 343 14.804 -1.721 1.358 1.00 0.08 C ATOM 0 H THR A 343 15.525 0.135 5.156 1.00 0.13 H new ATOM 0 HA THR A 343 15.176 0.812 2.396 1.00 0.10 H new ATOM 0 HB THR A 343 15.943 -2.013 3.156 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.370 -0.060 2.230 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.229 -2.591 0.857 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.859 -1.997 1.825 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.630 -0.930 0.628 1.00 0.08 H new ATOM 86 N TYR A 344 12.775 0.050 2.794 1.00 0.07 N ATOM 87 CA TYR A 344 11.388 -0.152 3.176 1.00 0.06 C ATOM 88 C TYR A 344 10.461 0.533 2.209 1.00 0.06 C ATOM 89 O TYR A 344 10.866 1.420 1.486 1.00 0.06 O ATOM 90 CB TYR A 344 11.143 0.445 4.550 1.00 0.08 C ATOM 91 CG TYR A 344 11.553 1.897 4.662 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.851 2.225 5.009 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.658 2.929 4.419 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.254 3.540 5.113 1.00 0.13 C ATOM 95 CE2 TYR A 344 11.048 4.245 4.523 1.00 0.11 C ATOM 96 CZ TYR A 344 12.347 4.548 4.871 1.00 0.13 C ATOM 97 OH TYR A 344 12.738 5.863 4.961 1.00 0.15 O ATOM 0 H TYR A 344 12.904 0.530 1.903 1.00 0.07 H new ATOM 0 HA TYR A 344 11.195 -1.225 3.177 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.084 0.356 4.792 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.690 -0.136 5.292 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.563 1.436 5.202 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.640 2.696 4.144 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.273 3.777 5.382 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.339 5.037 4.333 1.00 0.11 H new ATOM 0 HH TYR A 344 12.967 6.198 4.069 1.00 0.15 H new ATOM 107 N ILE A 345 9.222 0.101 2.176 1.00 0.06 N ATOM 108 CA ILE A 345 8.194 0.881 1.544 1.00 0.06 C ATOM 109 C ILE A 345 7.789 1.987 2.458 1.00 0.07 C ATOM 110 O ILE A 345 7.863 1.852 3.672 1.00 0.08 O ATOM 111 CB ILE A 345 6.921 0.095 1.220 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.208 -1.387 1.196 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.406 0.526 -0.129 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.273 -1.721 0.238 1.00 0.05 C ATOM 0 H ILE A 345 8.906 -0.782 2.578 1.00 0.06 H new ATOM 0 HA ILE A 345 8.626 1.231 0.607 1.00 0.06 H new ATOM 0 HB ILE A 345 6.174 0.295 1.988 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.499 -1.717 2.193 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.300 -1.929 0.933 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.499 -0.030 -0.367 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.183 1.593 -0.110 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.163 0.327 -0.888 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.450 -2.797 0.251 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.971 -1.415 -0.763 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.189 -1.200 0.516 1.00 0.05 H new ATOM 126 N GLU A 346 7.333 3.053 1.880 1.00 0.09 N ATOM 127 CA GLU A 346 6.969 4.217 2.639 1.00 0.12 C ATOM 128 C GLU A 346 5.855 4.951 1.931 1.00 0.17 C ATOM 129 O GLU A 346 5.792 4.951 0.722 1.00 0.21 O ATOM 130 CB GLU A 346 8.184 5.115 2.763 1.00 0.15 C ATOM 131 CG GLU A 346 7.927 6.294 3.657 1.00 0.13 C ATOM 132 CD GLU A 346 9.061 7.299 3.733 1.00 1.24 C ATOM 133 OE1 GLU A 346 10.032 7.057 4.481 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 9.007 8.326 3.016 1.00 1.53 O ATOM 0 H GLU A 346 7.201 3.146 0.873 1.00 0.09 H new ATOM 0 HA GLU A 346 6.625 3.926 3.632 1.00 0.12 H new ATOM 0 HB2 GLU A 346 9.022 4.539 3.156 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.476 5.468 1.774 1.00 0.15 H new ATOM 0 HG2 GLU A 346 7.030 6.806 3.309 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.716 5.930 4.662 1.00 0.13 H new ATOM 141 N VAL A 347 4.931 5.508 2.680 1.00 0.17 N ATOM 142 CA VAL A 347 3.859 6.268 2.085 1.00 0.17 C ATOM 143 C VAL A 347 3.626 7.561 2.831 1.00 0.20 C ATOM 144 O VAL A 347 4.099 7.734 3.941 1.00 0.45 O ATOM 145 CB VAL A 347 2.532 5.503 2.052 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.617 6.151 1.042 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.731 4.030 1.739 1.00 0.15 C ATOM 0 H VAL A 347 4.901 5.449 3.698 1.00 0.17 H new ATOM 0 HA VAL A 347 4.180 6.465 1.062 1.00 0.17 H new ATOM 0 HB VAL A 347 2.079 5.551 3.042 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.670 5.613 1.012 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.437 7.188 1.327 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.083 6.121 0.057 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.764 3.527 1.726 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.207 3.926 0.764 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.365 3.578 2.502 1.00 0.15 H new ATOM 157 N ASP A 348 2.939 8.467 2.170 1.00 0.10 N ATOM 158 CA ASP A 348 2.491 9.712 2.738 1.00 0.09 C ATOM 159 C ASP A 348 1.091 9.976 2.211 1.00 0.08 C ATOM 160 O ASP A 348 0.894 10.281 1.053 1.00 0.10 O ATOM 161 CB ASP A 348 3.443 10.830 2.310 1.00 0.12 C ATOM 162 CG ASP A 348 3.205 12.108 3.066 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.036 12.396 3.394 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.184 12.844 3.328 1.00 0.24 O ATOM 0 H ASP A 348 2.671 8.350 1.193 1.00 0.10 H new ATOM 0 HA ASP A 348 2.478 9.669 3.827 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.472 10.506 2.465 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.324 11.015 1.242 1.00 0.12 H new ATOM 169 N LEU A 349 0.134 9.800 3.092 1.00 0.08 N ATOM 170 CA LEU A 349 -1.294 9.742 2.759 1.00 0.09 C ATOM 171 C LEU A 349 -1.854 11.113 2.635 1.00 0.12 C ATOM 172 O LEU A 349 -2.778 11.385 1.880 1.00 0.16 O ATOM 173 CB LEU A 349 -2.024 9.039 3.885 1.00 0.10 C ATOM 174 CG LEU A 349 -1.355 7.768 4.326 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.724 7.098 3.134 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.324 8.085 5.370 1.00 0.08 C ATOM 0 H LEU A 349 0.318 9.689 4.089 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.416 9.212 1.815 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.101 9.715 4.737 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.041 8.814 3.564 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.089 7.088 4.759 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.238 6.175 3.450 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.493 6.868 2.396 1.00 0.07 H new ATOM 0 HD13 LEU A 349 0.016 7.765 2.691 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.163 7.164 5.692 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.421 8.762 4.952 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.806 8.559 6.225 1.00 0.08 H new ATOM 188 N GLU A 350 -1.288 11.924 3.488 1.00 0.13 N ATOM 189 CA GLU A 350 -1.555 13.338 3.582 1.00 0.15 C ATOM 190 C GLU A 350 -1.257 13.959 2.262 1.00 0.14 C ATOM 191 O GLU A 350 -1.964 14.818 1.749 1.00 0.17 O ATOM 192 CB GLU A 350 -0.606 13.899 4.600 1.00 0.18 C ATOM 193 CG GLU A 350 -0.441 13.004 5.763 1.00 0.19 C ATOM 194 CD GLU A 350 -0.586 13.713 7.091 1.00 0.28 C ATOM 195 OE1 GLU A 350 -1.734 13.971 7.509 1.00 0.60 O1- ATOM 196 OE2 GLU A 350 0.444 14.014 7.726 1.00 0.57 O ATOM 0 H GLU A 350 -0.597 11.605 4.167 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.591 13.531 3.860 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.365 14.069 4.134 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.971 14.868 4.939 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.179 12.204 5.704 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.542 12.535 5.715 1.00 0.19 H new ATOM 203 N ASN A 351 -0.122 13.519 1.782 1.00 0.12 N ATOM 204 CA ASN A 351 0.476 14.036 0.558 1.00 0.11 C ATOM 205 C ASN A 351 0.216 13.109 -0.607 1.00 0.09 C ATOM 206 O ASN A 351 0.727 13.299 -1.711 1.00 0.10 O ATOM 207 CB ASN A 351 1.971 14.216 0.782 1.00 0.13 C ATOM 208 CG ASN A 351 2.226 15.296 1.795 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.462 16.454 1.455 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.143 14.930 3.053 1.00 0.18 N ATOM 0 H ASN A 351 0.426 12.784 2.228 1.00 0.12 H new ATOM 0 HA ASN A 351 0.024 14.997 0.313 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.409 13.278 1.124 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.458 14.470 -0.160 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.276 15.618 3.794 1.00 0.18 H new ATOM 0 HD22 ASN A 351 1.945 13.958 3.289 1.00 0.18 H new ATOM 217 N GLN A 352 -0.599 12.102 -0.292 1.00 0.08 N ATOM 218 CA GLN A 352 -0.965 11.005 -1.182 1.00 0.08 C ATOM 219 C GLN A 352 0.163 10.582 -2.102 1.00 0.07 C ATOM 220 O GLN A 352 0.034 10.608 -3.325 1.00 0.08 O ATOM 221 CB GLN A 352 -2.223 11.298 -1.986 1.00 0.12 C ATOM 222 CG GLN A 352 -3.434 11.565 -1.124 1.00 0.21 C ATOM 223 CD GLN A 352 -3.598 13.034 -0.778 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.233 13.915 -1.557 1.00 2.15 O ATOM 225 NE2 GLN A 352 -4.121 13.306 0.402 1.00 1.89 N ATOM 0 H GLN A 352 -1.038 12.027 0.626 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.177 10.166 -0.519 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.044 12.162 -2.626 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.432 10.453 -2.642 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.327 11.217 -1.643 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.354 10.986 -0.204 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.411 12.547 1.019 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.235 14.275 0.698 1.00 1.89 H new ATOM 234 N HIS A 353 1.246 10.135 -1.506 1.00 0.05 N ATOM 235 CA HIS A 353 2.392 9.692 -2.259 1.00 0.05 C ATOM 236 C HIS A 353 3.012 8.489 -1.585 1.00 0.06 C ATOM 237 O HIS A 353 3.159 8.452 -0.381 1.00 0.07 O ATOM 238 CB HIS A 353 3.405 10.823 -2.381 1.00 0.06 C ATOM 239 CG HIS A 353 4.465 10.545 -3.388 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.418 10.957 -4.705 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.576 9.819 -3.267 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.469 10.471 -5.344 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.187 9.784 -4.483 1.00 0.07 N ATOM 0 H HIS A 353 1.355 10.070 -0.494 1.00 0.05 H new ATOM 0 HA HIS A 353 2.076 9.405 -3.262 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.885 11.742 -2.652 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.869 10.994 -1.410 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.691 11.541 -5.118 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.929 9.343 -2.364 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.697 10.613 -6.390 1.00 0.09 H new ATOM 252 N MET A 354 3.331 7.492 -2.376 1.00 0.05 N ATOM 253 CA MET A 354 3.927 6.291 -1.876 1.00 0.06 C ATOM 254 C MET A 354 5.359 6.168 -2.380 1.00 0.05 C ATOM 255 O MET A 354 5.720 6.744 -3.401 1.00 0.06 O ATOM 256 CB MET A 354 3.126 5.077 -2.294 1.00 0.07 C ATOM 257 CG MET A 354 3.463 3.837 -1.500 1.00 0.07 C ATOM 258 SD MET A 354 3.769 2.400 -2.533 1.00 0.06 S ATOM 259 CE MET A 354 4.981 3.077 -3.661 1.00 0.05 C ATOM 0 H MET A 354 3.182 7.498 -3.385 1.00 0.05 H new ATOM 0 HA MET A 354 3.933 6.341 -0.787 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.064 5.295 -2.181 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.301 4.881 -3.352 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.345 4.032 -0.889 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.644 3.617 -0.816 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.743 2.769 -4.679 1.00 0.05 H new ATOM 0 HE2 MET A 354 4.968 4.165 -3.599 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.972 2.710 -3.394 1.00 0.05 H new ATOM 269 N TRP A 355 6.148 5.398 -1.671 1.00 0.05 N ATOM 270 CA TRP A 355 7.560 5.231 -1.946 1.00 0.07 C ATOM 271 C TRP A 355 7.999 3.815 -1.701 1.00 0.07 C ATOM 272 O TRP A 355 7.390 3.095 -0.927 1.00 0.11 O ATOM 273 CB TRP A 355 8.412 6.080 -1.004 1.00 0.08 C ATOM 274 CG TRP A 355 8.324 7.533 -1.222 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.063 8.278 -2.056 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.459 8.407 -0.549 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.689 9.591 -1.973 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.691 9.694 -1.025 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.499 8.208 0.410 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.965 10.783 -0.539 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.804 9.250 0.876 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.028 10.534 0.411 1.00 0.09 C ATOM 0 H TRP A 355 5.823 4.857 -0.869 1.00 0.05 H new ATOM 0 HA TRP A 355 7.694 5.523 -2.988 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.116 5.864 0.023 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.453 5.775 -1.107 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.841 7.897 -2.700 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.080 10.360 -2.517 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.306 7.214 0.787 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.142 11.784 -0.904 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.051 9.086 1.632 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.447 11.352 0.811 1.00 0.09 H new ATOM 293 N TYR A 356 9.065 3.438 -2.352 1.00 0.04 N ATOM 294 CA TYR A 356 9.935 2.426 -1.822 1.00 0.04 C ATOM 295 C TYR A 356 11.197 3.110 -1.452 1.00 0.04 C ATOM 296 O TYR A 356 11.564 4.107 -2.040 1.00 0.05 O ATOM 297 CB TYR A 356 10.282 1.374 -2.809 1.00 0.03 C ATOM 298 CG TYR A 356 11.172 0.287 -2.225 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.668 -0.707 -1.410 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.526 0.294 -2.454 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.491 -1.647 -0.830 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.347 -0.641 -1.895 1.00 0.10 C ATOM 303 CZ TYR A 356 12.745 -1.770 -1.252 1.00 0.05 C ATOM 304 OH TYR A 356 13.674 -2.504 -0.478 1.00 0.26 O ATOM 0 H TYR A 356 9.352 3.818 -3.254 1.00 0.04 H new ATOM 0 HA TYR A 356 9.426 1.941 -0.989 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.366 0.922 -3.188 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.787 1.832 -3.659 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.605 -0.748 -1.223 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.950 1.056 -3.091 1.00 0.05 H new ATOM 0 HE1 TYR A 356 11.120 -2.280 -0.038 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.421 -0.533 -1.936 1.00 0.10 H new ATOM 0 HH TYR A 356 13.192 -3.077 0.155 1.00 0.26 H new ATOM 314 N TYR A 357 11.862 2.543 -0.531 1.00 0.05 N ATOM 315 CA TYR A 357 13.095 3.087 -0.046 1.00 0.06 C ATOM 316 C TYR A 357 14.169 2.048 -0.076 1.00 0.06 C ATOM 317 O TYR A 357 14.054 1.007 0.551 1.00 0.07 O ATOM 318 CB TYR A 357 12.964 3.625 1.368 1.00 0.07 C ATOM 319 CG TYR A 357 12.550 5.064 1.445 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.234 5.448 1.237 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.486 6.040 1.738 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.861 6.776 1.321 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.129 7.362 1.822 1.00 0.11 C ATOM 324 CZ TYR A 357 11.811 7.730 1.613 1.00 0.11 C ATOM 325 OH TYR A 357 11.430 9.048 1.707 1.00 0.14 O ATOM 0 H TYR A 357 11.577 1.676 -0.075 1.00 0.05 H new ATOM 0 HA TYR A 357 13.358 3.915 -0.704 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.236 3.020 1.908 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.919 3.506 1.879 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.491 4.699 1.006 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.515 5.756 1.903 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.833 7.064 1.159 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.872 8.112 2.050 1.00 0.11 H new ATOM 0 HH TYR A 357 10.566 9.107 2.166 1.00 0.14 H new ATOM 335 N LYS A 358 15.186 2.332 -0.832 1.00 0.07 N ATOM 336 CA LYS A 358 16.400 1.581 -0.782 1.00 0.09 C ATOM 337 C LYS A 358 17.484 2.556 -0.411 1.00 0.13 C ATOM 338 O LYS A 358 17.560 3.625 -0.974 1.00 0.25 O ATOM 339 CB LYS A 358 16.726 0.938 -2.114 1.00 0.11 C ATOM 340 CG LYS A 358 17.714 -0.175 -1.983 1.00 0.12 C ATOM 341 CD LYS A 358 17.054 -1.305 -1.303 1.00 0.09 C ATOM 342 CE LYS A 358 16.502 -2.242 -2.317 1.00 0.09 C ATOM 343 NZ LYS A 358 15.962 -3.481 -1.702 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.195 3.098 -1.506 1.00 0.07 H new ATOM 0 HA LYS A 358 16.307 0.770 -0.059 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.810 0.556 -2.564 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.122 1.694 -2.792 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.073 -0.481 -2.966 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.583 0.155 -1.414 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.767 -1.824 -0.663 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.255 -0.939 -0.658 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.712 -1.743 -2.878 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.283 -2.504 -3.031 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.635 -4.126 -2.450 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.708 -3.946 -1.146 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.165 -3.240 -1.079 1.00 0.10 H new ATOM 357 N ASP A 359 18.298 2.173 0.548 1.00 0.13 N ATOM 358 CA ASP A 359 19.477 2.947 0.949 1.00 0.16 C ATOM 359 C ASP A 359 19.133 4.176 1.763 1.00 0.16 C ATOM 360 O ASP A 359 19.975 5.049 1.965 1.00 0.28 O ATOM 361 CB ASP A 359 20.292 3.392 -0.247 1.00 0.19 C ATOM 362 CG ASP A 359 21.766 3.087 -0.101 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.153 1.906 -0.236 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.550 4.028 0.132 1.00 0.39 O1- ATOM 0 H ASP A 359 18.169 1.313 1.081 1.00 0.13 H new ATOM 0 HA ASP A 359 20.059 2.265 1.569 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.911 2.901 -1.143 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.161 4.464 -0.391 1.00 0.19 H new ATOM 369 N GLY A 360 17.914 4.202 2.281 1.00 0.15 N ATOM 370 CA GLY A 360 17.412 5.388 2.958 1.00 0.15 C ATOM 371 C GLY A 360 16.951 6.439 2.016 1.00 0.14 C ATOM 372 O GLY A 360 16.548 7.533 2.411 1.00 0.18 O ATOM 0 H GLY A 360 17.258 3.421 2.246 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.587 5.105 3.611 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.197 5.797 3.595 1.00 0.15 H new ATOM 376 N LYS A 361 16.967 6.073 0.780 1.00 0.13 N ATOM 377 CA LYS A 361 16.535 6.911 -0.286 1.00 0.13 C ATOM 378 C LYS A 361 15.564 6.064 -1.061 1.00 0.09 C ATOM 379 O LYS A 361 15.333 4.928 -0.684 1.00 0.12 O ATOM 380 CB LYS A 361 17.761 7.267 -1.087 1.00 0.16 C ATOM 381 CG LYS A 361 18.319 6.093 -1.848 1.00 0.17 C ATOM 382 CD LYS A 361 19.400 6.504 -2.793 1.00 0.23 C ATOM 383 CE LYS A 361 18.860 7.496 -3.795 1.00 0.26 C ATOM 384 NZ LYS A 361 19.766 7.686 -4.954 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.291 5.155 0.474 1.00 0.13 H new ATOM 0 HA LYS A 361 16.056 7.842 0.017 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.513 8.064 -1.788 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.527 7.658 -0.417 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.712 5.358 -1.145 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.517 5.606 -2.403 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.228 6.947 -2.240 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.794 5.629 -3.311 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.888 7.155 -4.151 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.701 8.455 -3.302 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 19.349 8.376 -5.611 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.686 8.037 -4.621 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.899 6.778 -5.443 1.00 0.37 H new ATOM 398 N VAL A 362 14.943 6.576 -2.086 1.00 0.09 N ATOM 399 CA VAL A 362 13.913 5.783 -2.702 1.00 0.07 C ATOM 400 C VAL A 362 14.258 5.121 -3.983 1.00 0.07 C ATOM 401 O VAL A 362 15.143 5.521 -4.738 1.00 0.10 O ATOM 402 CB VAL A 362 12.618 6.520 -2.895 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.170 7.058 -1.585 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.728 7.594 -3.909 1.00 0.09 C ATOM 0 H VAL A 362 15.117 7.493 -2.498 1.00 0.09 H new ATOM 0 HA VAL A 362 13.798 4.996 -1.956 1.00 0.07 H new ATOM 0 HB VAL A 362 11.874 5.821 -3.277 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.230 7.595 -1.714 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.025 6.236 -0.884 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.926 7.739 -1.193 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.766 8.097 -4.012 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.483 8.315 -3.595 1.00 0.09 H new ATOM 0 HG23 VAL A 362 13.016 7.162 -4.867 1.00 0.09 H new ATOM 414 N ALA A 363 13.461 4.102 -4.200 1.00 0.05 N ATOM 415 CA ALA A 363 13.531 3.280 -5.344 1.00 0.05 C ATOM 416 C ALA A 363 12.325 3.597 -6.158 1.00 0.05 C ATOM 417 O ALA A 363 12.297 3.496 -7.384 1.00 0.07 O ATOM 418 CB ALA A 363 13.512 1.825 -4.925 1.00 0.05 C ATOM 0 H ALA A 363 12.725 3.828 -3.549 1.00 0.05 H new ATOM 0 HA ALA A 363 14.445 3.453 -5.911 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.566 1.191 -5.810 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.366 1.621 -4.280 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.590 1.614 -4.384 1.00 0.05 H new ATOM 424 N LEU A 364 11.328 3.999 -5.407 1.00 0.04 N ATOM 425 CA LEU A 364 10.031 4.282 -5.913 1.00 0.04 C ATOM 426 C LEU A 364 9.504 5.558 -5.382 1.00 0.05 C ATOM 427 O LEU A 364 9.733 5.935 -4.237 1.00 0.06 O ATOM 428 CB LEU A 364 9.113 3.169 -5.507 1.00 0.04 C ATOM 429 CG LEU A 364 8.431 2.491 -6.645 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.450 2.162 -7.689 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.785 1.249 -6.148 1.00 0.05 C ATOM 0 H LEU A 364 11.412 4.138 -4.400 1.00 0.04 H new ATOM 0 HA LEU A 364 10.092 4.369 -6.998 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.684 2.428 -4.948 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.357 3.566 -4.830 1.00 0.04 H new ATOM 0 HG LEU A 364 7.670 3.140 -7.078 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.964 1.665 -8.528 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.924 3.080 -8.036 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.206 1.501 -7.264 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.283 0.745 -6.974 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.543 0.588 -5.726 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.055 1.501 -5.379 1.00 0.05 H new ATOM 443 N GLU A 365 8.771 6.185 -6.236 1.00 0.05 N ATOM 444 CA GLU A 365 8.092 7.377 -5.923 1.00 0.06 C ATOM 445 C GLU A 365 6.813 7.282 -6.667 1.00 0.05 C ATOM 446 O GLU A 365 6.815 7.197 -7.894 1.00 0.07 O ATOM 447 CB GLU A 365 8.922 8.534 -6.418 1.00 0.10 C ATOM 448 CG GLU A 365 9.103 9.657 -5.412 1.00 0.16 C ATOM 449 CD GLU A 365 10.279 10.554 -5.733 1.00 0.27 C ATOM 450 OE1 GLU A 365 10.287 11.166 -6.821 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.213 10.641 -4.908 1.00 0.48 O ATOM 0 H GLU A 365 8.629 5.867 -7.195 1.00 0.05 H new ATOM 0 HA GLU A 365 7.919 7.523 -4.857 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.905 8.162 -6.708 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.457 8.940 -7.316 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.194 10.257 -5.378 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.240 9.229 -4.419 1.00 0.16 H new ATOM 458 N THR A 366 5.726 7.280 -5.968 1.00 0.05 N ATOM 459 CA THR A 366 4.505 7.173 -6.646 1.00 0.06 C ATOM 460 C THR A 366 3.404 7.875 -5.914 1.00 0.06 C ATOM 461 O THR A 366 3.528 8.231 -4.764 1.00 0.07 O ATOM 462 CB THR A 366 4.164 5.695 -6.860 1.00 0.06 C ATOM 463 OG1 THR A 366 3.601 5.492 -8.139 1.00 0.07 O ATOM 464 CG2 THR A 366 3.188 5.216 -5.822 1.00 0.07 C ATOM 0 H THR A 366 5.670 7.350 -4.952 1.00 0.05 H new ATOM 0 HA THR A 366 4.606 7.661 -7.615 1.00 0.06 H new ATOM 0 HB THR A 366 5.092 5.130 -6.775 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.084 6.033 -8.798 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.961 4.164 -5.994 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.624 5.335 -4.830 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.271 5.801 -5.888 1.00 0.07 H new ATOM 472 N ASP A 367 2.342 8.071 -6.605 1.00 0.07 N ATOM 473 CA ASP A 367 1.207 8.741 -6.090 1.00 0.09 C ATOM 474 C ASP A 367 0.117 7.738 -5.754 1.00 0.09 C ATOM 475 O ASP A 367 -0.134 6.813 -6.511 1.00 0.11 O ATOM 476 CB ASP A 367 0.805 9.754 -7.146 1.00 0.13 C ATOM 477 CG ASP A 367 0.619 9.192 -8.555 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.414 8.322 -8.961 1.00 1.65 O ATOM 479 OD2 ASP A 367 -0.356 9.569 -9.245 1.00 1.80 O1- ATOM 0 H ASP A 367 2.236 7.761 -7.571 1.00 0.07 H new ATOM 0 HA ASP A 367 1.408 9.262 -5.154 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.127 10.227 -6.836 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.563 10.536 -7.182 1.00 0.13 H new ATOM 484 N ILE A 368 -0.470 7.885 -4.567 1.00 0.09 N ATOM 485 CA ILE A 368 -1.394 6.892 -4.039 1.00 0.08 C ATOM 486 C ILE A 368 -2.634 7.505 -3.481 1.00 0.07 C ATOM 487 O ILE A 368 -2.860 8.708 -3.546 1.00 0.08 O ATOM 488 CB ILE A 368 -0.774 6.073 -2.909 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.004 6.957 -1.972 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.097 5.005 -3.481 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.830 7.606 -0.879 1.00 0.08 C ATOM 0 H ILE A 368 -0.319 8.686 -3.954 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.632 6.259 -4.894 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.572 5.604 -2.334 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.793 6.366 -1.507 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.492 7.740 -2.553 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.538 4.423 -2.672 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.500 4.350 -4.116 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.890 5.461 -4.074 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.189 8.225 -0.251 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.603 8.227 -1.332 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.297 6.832 -0.270 1.00 0.08 H new ATOM 503 N VAL A 369 -3.408 6.637 -2.890 1.00 0.07 N ATOM 504 CA VAL A 369 -4.575 7.019 -2.154 1.00 0.08 C ATOM 505 C VAL A 369 -4.832 6.005 -1.073 1.00 0.09 C ATOM 506 O VAL A 369 -4.941 4.804 -1.305 1.00 0.10 O ATOM 507 CB VAL A 369 -5.820 7.258 -3.056 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.542 6.883 -4.515 1.00 0.10 C ATOM 509 CG2 VAL A 369 -7.064 6.536 -2.530 1.00 0.09 C ATOM 0 H VAL A 369 -3.241 5.631 -2.908 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.383 7.988 -1.692 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.028 8.327 -3.020 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.435 7.064 -5.114 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.721 7.490 -4.896 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.273 5.829 -4.575 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.907 6.733 -3.193 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.874 5.463 -2.494 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.298 6.897 -1.529 1.00 0.09 H new ATOM 519 N SER A 370 -4.809 6.540 0.109 1.00 0.09 N ATOM 520 CA SER A 370 -5.005 5.813 1.335 1.00 0.08 C ATOM 521 C SER A 370 -6.484 5.521 1.580 1.00 0.08 C ATOM 522 O SER A 370 -7.299 5.687 0.670 1.00 0.10 O ATOM 523 CB SER A 370 -4.367 6.591 2.472 1.00 0.13 C ATOM 524 OG SER A 370 -4.829 7.928 2.494 1.00 1.26 O ATOM 0 H SER A 370 -4.647 7.536 0.257 1.00 0.09 H new ATOM 0 HA SER A 370 -4.520 4.839 1.268 1.00 0.08 H new ATOM 0 HB2 SER A 370 -4.596 6.108 3.422 1.00 0.13 H new ATOM 0 HB3 SER A 370 -3.283 6.579 2.362 1.00 0.13 H new ATOM 0 HG SER A 370 -5.126 8.157 3.399 1.00 1.26 H new ATOM 530 N GLY A 371 -6.845 5.058 2.762 1.00 0.09 N ATOM 531 CA GLY A 371 -8.235 4.733 2.987 1.00 0.12 C ATOM 532 C GLY A 371 -9.046 5.950 3.397 1.00 0.12 C ATOM 533 O GLY A 371 -8.498 7.040 3.579 1.00 0.14 O ATOM 0 H GLY A 371 -6.220 4.904 3.553 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.659 4.305 2.079 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.308 3.971 3.763 1.00 0.12 H new ATOM 537 N LYS A 372 -10.352 5.769 3.520 1.00 0.16 N ATOM 538 CA LYS A 372 -11.284 6.891 3.572 1.00 0.16 C ATOM 539 C LYS A 372 -11.363 7.544 4.952 1.00 0.18 C ATOM 540 O LYS A 372 -10.929 6.942 5.928 1.00 0.21 O ATOM 541 CB LYS A 372 -12.668 6.429 3.113 1.00 0.19 C ATOM 542 CG LYS A 372 -13.390 5.589 4.129 1.00 0.27 C ATOM 543 CD LYS A 372 -14.135 4.470 3.456 1.00 0.47 C ATOM 544 CE LYS A 372 -15.219 5.031 2.584 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.919 3.988 1.784 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.794 4.852 3.586 1.00 0.16 H new ATOM 0 HA LYS A 372 -10.905 7.658 2.896 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.275 7.304 2.880 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.564 5.858 2.190 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.676 5.180 4.844 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.086 6.209 4.693 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.448 3.872 2.858 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.566 3.806 4.205 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.946 5.552 3.207 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.789 5.771 1.909 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.787 4.389 1.375 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -15.295 3.660 1.019 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -16.164 3.185 2.398 1.00 0.79 H new ATOM 559 N PRO A 373 -11.907 8.759 5.071 1.00 0.19 N ATOM 560 CA PRO A 373 -11.951 9.496 6.342 1.00 0.21 C ATOM 561 C PRO A 373 -12.609 8.699 7.444 1.00 0.24 C ATOM 562 O PRO A 373 -12.208 8.741 8.609 1.00 0.28 O ATOM 563 CB PRO A 373 -12.855 10.660 6.003 1.00 0.23 C ATOM 564 CG PRO A 373 -12.604 10.903 4.579 1.00 0.21 C ATOM 565 CD PRO A 373 -12.530 9.533 3.991 1.00 0.19 C ATOM 0 HA PRO A 373 -10.954 9.754 6.699 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.902 10.419 6.188 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.619 11.537 6.605 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.403 11.490 4.126 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.677 11.455 4.425 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.517 9.148 3.732 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.932 9.514 3.080 1.00 0.19 H new ATOM 573 N THR A 374 -13.631 7.982 7.053 1.00 0.25 N ATOM 574 CA THR A 374 -14.444 7.239 7.995 1.00 0.28 C ATOM 575 C THR A 374 -13.611 6.151 8.659 1.00 0.30 C ATOM 576 O THR A 374 -13.805 5.801 9.822 1.00 0.33 O ATOM 577 CB THR A 374 -15.661 6.601 7.298 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.272 5.441 6.558 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.286 7.591 6.349 1.00 0.29 C ATOM 0 H THR A 374 -13.926 7.894 6.081 1.00 0.25 H new ATOM 0 HA THR A 374 -14.805 7.937 8.750 1.00 0.28 H new ATOM 0 HB THR A 374 -16.378 6.313 8.067 1.00 0.29 H new ATOM 0 HG1 THR A 374 -16.059 5.050 6.125 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.146 7.133 5.860 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.610 8.472 6.903 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.554 7.885 5.596 1.00 0.29 H new ATOM 587 N THR A 375 -12.663 5.648 7.891 1.00 0.28 N ATOM 588 CA THR A 375 -11.797 4.564 8.309 1.00 0.31 C ATOM 589 C THR A 375 -10.388 4.799 7.800 1.00 0.29 C ATOM 590 O THR A 375 -9.870 4.132 6.901 1.00 0.29 O ATOM 591 CB THR A 375 -12.358 3.233 7.851 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.382 2.187 7.959 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.865 3.355 6.426 1.00 0.31 C ATOM 0 H THR A 375 -12.471 5.986 6.948 1.00 0.28 H new ATOM 0 HA THR A 375 -11.752 4.535 9.398 1.00 0.31 H new ATOM 0 HB THR A 375 -13.190 2.966 8.503 1.00 0.34 H new ATOM 0 HG1 THR A 375 -10.664 2.342 7.311 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.268 2.396 6.100 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.649 4.111 6.382 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.043 3.645 5.771 1.00 0.31 H new ATOM 601 N PRO A 376 -9.792 5.781 8.423 1.00 0.28 N ATOM 602 CA PRO A 376 -8.520 6.379 8.067 1.00 0.26 C ATOM 603 C PRO A 376 -7.360 5.429 8.036 1.00 0.26 C ATOM 604 O PRO A 376 -7.342 4.402 8.723 1.00 0.38 O ATOM 605 CB PRO A 376 -8.333 7.410 9.170 1.00 0.29 C ATOM 606 CG PRO A 376 -9.698 7.742 9.545 1.00 0.32 C ATOM 607 CD PRO A 376 -10.367 6.427 9.576 1.00 0.32 C ATOM 0 HA PRO A 376 -8.540 6.773 7.051 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -7.771 7.003 10.011 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -7.788 8.285 8.816 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -9.740 8.238 10.514 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.162 8.413 8.823 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.158 5.883 10.497 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.450 6.517 9.497 1.00 0.32 H new ATOM 615 N THR A 377 -6.387 5.787 7.239 1.00 0.17 N ATOM 616 CA THR A 377 -5.161 5.102 7.212 1.00 0.21 C ATOM 617 C THR A 377 -4.315 5.566 8.409 1.00 0.17 C ATOM 618 O THR A 377 -4.166 6.764 8.646 1.00 0.21 O ATOM 619 CB THR A 377 -4.488 5.388 5.865 1.00 0.33 C ATOM 620 OG1 THR A 377 -5.064 4.577 4.838 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.013 5.167 5.930 1.00 0.22 C ATOM 0 H THR A 377 -6.443 6.573 6.591 1.00 0.17 H new ATOM 0 HA THR A 377 -5.290 4.023 7.302 1.00 0.21 H new ATOM 0 HB THR A 377 -4.658 6.438 5.627 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.347 3.719 5.218 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.570 5.379 4.957 1.00 0.22 H new ATOM 0 HG22 THR A 377 -2.579 5.829 6.679 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.812 4.131 6.202 1.00 0.22 H new ATOM 629 N PRO A 378 -3.771 4.614 9.192 1.00 0.14 N ATOM 630 CA PRO A 378 -3.130 4.887 10.490 1.00 0.15 C ATOM 631 C PRO A 378 -1.839 5.659 10.337 1.00 0.13 C ATOM 632 O PRO A 378 -1.589 6.623 11.056 1.00 0.16 O ATOM 633 CB PRO A 378 -2.811 3.475 11.007 1.00 0.17 C ATOM 634 CG PRO A 378 -3.700 2.583 10.231 1.00 0.19 C ATOM 635 CD PRO A 378 -3.682 3.186 8.878 1.00 0.17 C ATOM 0 HA PRO A 378 -3.763 5.487 11.143 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.762 3.223 10.850 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.002 3.392 12.077 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.332 1.557 10.220 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.707 2.556 10.647 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.770 2.942 8.333 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.519 2.848 8.267 1.00 0.17 H new ATOM 643 N ALA A 379 -1.047 5.216 9.381 1.00 0.11 N ATOM 644 CA ALA A 379 0.297 5.714 9.151 1.00 0.10 C ATOM 645 C ALA A 379 1.225 5.532 10.338 1.00 0.10 C ATOM 646 O ALA A 379 0.876 5.719 11.504 1.00 0.13 O ATOM 647 CB ALA A 379 0.311 7.139 8.641 1.00 0.11 C ATOM 0 H ALA A 379 -1.325 4.484 8.727 1.00 0.11 H new ATOM 0 HA ALA A 379 0.698 5.084 8.357 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.341 7.460 8.486 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.231 7.193 7.697 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.167 7.792 9.372 1.00 0.11 H new ATOM 653 N GLY A 380 2.420 5.151 9.977 1.00 0.10 N ATOM 654 CA GLY A 380 3.469 4.854 10.905 1.00 0.11 C ATOM 655 C GLY A 380 4.418 3.866 10.292 1.00 0.12 C ATOM 656 O GLY A 380 4.992 4.113 9.234 1.00 0.20 O ATOM 0 H GLY A 380 2.695 5.036 9.002 1.00 0.10 H new ATOM 0 HA2 GLY A 380 4.001 5.767 11.172 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.050 4.448 11.826 1.00 0.11 H new ATOM 660 N VAL A 381 4.533 2.724 10.933 1.00 0.12 N ATOM 661 CA VAL A 381 5.391 1.659 10.470 1.00 0.13 C ATOM 662 C VAL A 381 4.625 0.335 10.427 1.00 0.15 C ATOM 663 O VAL A 381 4.290 -0.237 11.463 1.00 0.25 O ATOM 664 CB VAL A 381 6.597 1.526 11.404 1.00 0.17 C ATOM 665 CG1 VAL A 381 7.443 0.320 11.023 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.423 2.796 11.384 1.00 0.82 C ATOM 0 H VAL A 381 4.031 2.508 11.794 1.00 0.12 H new ATOM 0 HA VAL A 381 5.734 1.898 9.463 1.00 0.13 H new ATOM 0 HB VAL A 381 6.232 1.372 12.420 1.00 0.17 H new ATOM 0 HG11 VAL A 381 8.294 0.244 11.699 1.00 0.79 H new ATOM 0 HG12 VAL A 381 6.840 -0.585 11.096 1.00 0.79 H new ATOM 0 HG13 VAL A 381 7.801 0.436 10.000 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.276 2.686 12.053 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.778 2.983 10.371 1.00 0.82 H new ATOM 0 HG23 VAL A 381 6.809 3.634 11.714 1.00 0.82 H new ATOM 676 N PHE A 382 4.336 -0.128 9.223 1.00 0.09 N ATOM 677 CA PHE A 382 3.690 -1.411 9.010 1.00 0.09 C ATOM 678 C PHE A 382 4.746 -2.362 8.419 1.00 0.09 C ATOM 679 O PHE A 382 5.917 -1.990 8.345 1.00 0.10 O ATOM 680 CB PHE A 382 2.448 -1.290 8.111 1.00 0.10 C ATOM 681 CG PHE A 382 1.591 -0.071 8.370 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.364 0.382 9.662 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.019 0.633 7.314 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.586 1.501 9.896 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.247 1.747 7.549 1.00 0.15 C ATOM 686 CZ PHE A 382 0.029 2.181 8.838 1.00 0.18 C ATOM 0 H PHE A 382 4.544 0.378 8.362 1.00 0.09 H new ATOM 0 HA PHE A 382 3.318 -1.807 9.955 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.771 -1.275 7.070 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.835 -2.182 8.241 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.801 -0.147 10.496 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.183 0.301 6.299 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.416 1.840 10.907 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.190 2.283 6.720 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.579 3.055 9.018 1.00 0.18 H new ATOM 696 N TYR A 383 4.396 -3.574 8.014 1.00 0.11 N ATOM 697 CA TYR A 383 5.442 -4.520 7.610 1.00 0.11 C ATOM 698 C TYR A 383 5.066 -5.368 6.396 1.00 0.11 C ATOM 699 O TYR A 383 4.049 -6.054 6.399 1.00 0.13 O ATOM 700 CB TYR A 383 5.723 -5.435 8.791 1.00 0.13 C ATOM 701 CG TYR A 383 7.176 -5.789 8.942 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.112 -4.800 9.194 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.610 -7.102 8.841 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.445 -5.103 9.347 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.944 -7.421 8.989 1.00 0.49 C ATOM 706 CZ TYR A 383 9.861 -6.415 9.246 1.00 0.50 C ATOM 707 OH TYR A 383 11.195 -6.719 9.401 1.00 0.65 O ATOM 0 H TYR A 383 3.439 -3.922 7.955 1.00 0.11 H new ATOM 0 HA TYR A 383 6.318 -3.941 7.318 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.378 -4.952 9.705 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.144 -6.351 8.677 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.790 -3.772 9.272 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.894 -7.886 8.644 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.161 -4.319 9.545 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.271 -8.447 8.905 1.00 0.49 H new ATOM 0 HH TYR A 383 11.672 -6.534 8.565 1.00 0.65 H new ATOM 717 N VAL A 384 5.904 -5.315 5.352 1.00 0.09 N ATOM 718 CA VAL A 384 5.783 -6.249 4.238 1.00 0.09 C ATOM 719 C VAL A 384 6.636 -7.462 4.499 1.00 0.13 C ATOM 720 O VAL A 384 7.826 -7.527 4.180 1.00 0.16 O ATOM 721 CB VAL A 384 6.127 -5.666 2.852 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.406 -4.877 2.891 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.221 -6.776 1.800 1.00 0.08 C ATOM 0 H VAL A 384 6.664 -4.641 5.261 1.00 0.09 H new ATOM 0 HA VAL A 384 4.725 -6.507 4.191 1.00 0.09 H new ATOM 0 HB VAL A 384 5.319 -4.989 2.573 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.619 -4.480 1.898 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.304 -4.053 3.597 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.224 -5.525 3.206 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.465 -6.340 0.831 1.00 0.08 H new ATOM 0 HG22 VAL A 384 7.000 -7.483 2.086 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.265 -7.296 1.734 1.00 0.08 H new ATOM 733 N TRP A 385 6.002 -8.425 5.082 1.00 0.18 N ATOM 734 CA TRP A 385 6.641 -9.680 5.363 1.00 0.23 C ATOM 735 C TRP A 385 6.407 -10.607 4.185 1.00 0.12 C ATOM 736 O TRP A 385 6.709 -11.799 4.233 1.00 0.21 O ATOM 737 CB TRP A 385 6.135 -10.266 6.686 1.00 0.48 C ATOM 738 CG TRP A 385 4.645 -10.452 6.733 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.697 -9.467 6.833 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.927 -11.691 6.701 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.448 -10.021 6.851 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.559 -11.378 6.774 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.304 -13.034 6.611 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.570 -12.349 6.762 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.317 -14.001 6.601 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.963 -13.655 6.676 1.00 2.55 C ATOM 0 H TRP A 385 5.028 -8.370 5.379 1.00 0.18 H new ATOM 0 HA TRP A 385 7.715 -9.542 5.489 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.618 -11.228 6.855 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.436 -9.610 7.503 1.00 0.48 H new ATOM 0 HD1 TRP A 385 3.906 -8.409 6.889 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.572 -9.502 6.912 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.346 -13.310 6.550 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.525 -12.083 6.819 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.595 -15.042 6.534 1.00 2.11 H new ATOM 0 HH2 TRP A 385 1.215 -14.434 6.666 1.00 2.55 H new ATOM 757 N ASN A 386 5.862 -10.012 3.118 1.00 0.10 N ATOM 758 CA ASN A 386 5.673 -10.687 1.844 1.00 0.14 C ATOM 759 C ASN A 386 5.246 -9.694 0.774 1.00 0.11 C ATOM 760 O ASN A 386 4.309 -8.932 0.960 1.00 0.12 O ATOM 761 CB ASN A 386 4.621 -11.788 1.980 1.00 0.27 C ATOM 762 CG ASN A 386 4.340 -12.492 0.668 1.00 0.33 C ATOM 763 OD1 ASN A 386 5.020 -13.451 0.309 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.329 -12.031 -0.049 1.00 0.31 N ATOM 0 H ASN A 386 5.541 -9.044 3.121 1.00 0.10 H new ATOM 0 HA ASN A 386 6.621 -11.136 1.548 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.958 -12.519 2.715 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.696 -11.356 2.362 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.089 -12.474 -0.936 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.789 -11.232 0.285 1.00 0.31 H new ATOM 771 N LYS A 387 5.960 -9.705 -0.335 1.00 0.11 N ATOM 772 CA LYS A 387 5.526 -9.015 -1.546 1.00 0.09 C ATOM 773 C LYS A 387 4.836 -9.998 -2.483 1.00 0.08 C ATOM 774 O LYS A 387 5.152 -11.189 -2.476 1.00 0.13 O ATOM 775 CB LYS A 387 6.678 -8.285 -2.262 1.00 0.13 C ATOM 776 CG LYS A 387 8.074 -8.774 -1.944 1.00 0.38 C ATOM 777 CD LYS A 387 8.215 -10.223 -2.291 1.00 0.20 C ATOM 778 CE LYS A 387 9.633 -10.717 -2.114 1.00 0.40 C ATOM 779 NZ LYS A 387 10.595 -10.035 -3.027 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.853 -10.188 -0.428 1.00 0.11 H new ATOM 0 HA LYS A 387 4.817 -8.244 -1.246 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.522 -8.369 -3.337 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.620 -7.225 -2.013 1.00 0.13 H new ATOM 0 HG2 LYS A 387 8.806 -8.188 -2.500 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.285 -8.626 -0.885 1.00 0.38 H new ATOM 0 HD2 LYS A 387 7.546 -10.812 -1.664 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.904 -10.380 -3.324 1.00 0.20 H new ATOM 0 HE2 LYS A 387 9.943 -10.558 -1.081 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.665 -11.791 -2.295 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 11.409 -10.658 -3.201 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.124 -9.820 -3.929 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 10.923 -9.151 -2.588 1.00 1.12 H new ATOM 793 N GLU A 388 3.913 -9.503 -3.293 1.00 0.09 N ATOM 794 CA GLU A 388 3.045 -10.374 -4.079 1.00 0.10 C ATOM 795 C GLU A 388 3.001 -10.048 -5.554 1.00 0.10 C ATOM 796 O GLU A 388 3.335 -8.952 -5.990 1.00 0.10 O ATOM 797 CB GLU A 388 1.642 -10.274 -3.537 1.00 0.09 C ATOM 798 CG GLU A 388 1.359 -11.227 -2.448 1.00 0.15 C ATOM 799 CD GLU A 388 1.500 -12.676 -2.866 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.852 -13.086 -3.850 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.257 -13.414 -2.206 1.00 0.71 O1- ATOM 0 H GLU A 388 3.744 -8.506 -3.425 1.00 0.09 H new ATOM 0 HA GLU A 388 3.462 -11.377 -3.990 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.473 -9.260 -3.174 1.00 0.09 H new ATOM 0 HB3 GLU A 388 0.935 -10.443 -4.349 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.035 -11.029 -1.617 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.346 -11.059 -2.082 1.00 0.15 H new ATOM 808 N GLU A 389 2.565 -11.050 -6.293 1.00 0.10 N ATOM 809 CA GLU A 389 2.284 -10.961 -7.700 1.00 0.11 C ATOM 810 C GLU A 389 1.026 -11.736 -7.996 1.00 0.16 C ATOM 811 O GLU A 389 0.922 -12.908 -7.621 1.00 0.28 O ATOM 812 CB GLU A 389 3.414 -11.515 -8.533 1.00 0.14 C ATOM 813 CG GLU A 389 4.573 -10.570 -8.652 1.00 0.16 C ATOM 814 CD GLU A 389 5.563 -10.994 -9.715 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.214 -12.044 -9.553 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 5.668 -10.290 -10.744 1.00 0.38 O ATOM 0 H GLU A 389 2.393 -11.979 -5.909 1.00 0.10 H new ATOM 0 HA GLU A 389 2.162 -9.909 -7.957 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.759 -12.450 -8.092 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.041 -11.751 -9.530 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.201 -9.572 -8.885 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.083 -10.504 -7.691 1.00 0.16 H new ATOM 823 N ASP A 390 0.092 -11.087 -8.658 1.00 0.12 N ATOM 824 CA ASP A 390 -1.196 -11.684 -8.959 1.00 0.15 C ATOM 825 C ASP A 390 -1.844 -12.150 -7.656 1.00 0.16 C ATOM 826 O ASP A 390 -2.340 -13.267 -7.514 1.00 0.25 O ATOM 827 CB ASP A 390 -0.990 -12.810 -9.960 1.00 0.19 C ATOM 828 CG ASP A 390 -2.280 -13.505 -10.357 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.171 -12.833 -10.926 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.404 -14.725 -10.122 1.00 0.36 O1- ATOM 0 H ASP A 390 0.201 -10.133 -9.003 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.876 -10.964 -9.415 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.512 -12.409 -10.854 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.306 -13.544 -9.534 1.00 0.19 H new ATOM 835 N ALA A 391 -1.775 -11.241 -6.696 1.00 0.12 N ATOM 836 CA ALA A 391 -2.362 -11.395 -5.381 1.00 0.11 C ATOM 837 C ALA A 391 -3.830 -11.079 -5.461 1.00 0.10 C ATOM 838 O ALA A 391 -4.290 -10.542 -6.451 1.00 0.11 O ATOM 839 CB ALA A 391 -1.709 -10.420 -4.437 1.00 0.10 C ATOM 0 H ALA A 391 -1.294 -10.350 -6.818 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.217 -12.416 -5.027 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.144 -10.528 -3.444 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.639 -10.622 -4.388 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.870 -9.403 -4.795 1.00 0.10 H new ATOM 845 N THR A 392 -4.577 -11.417 -4.450 1.00 0.11 N ATOM 846 CA THR A 392 -5.950 -10.974 -4.402 1.00 0.11 C ATOM 847 C THR A 392 -6.312 -10.405 -3.052 1.00 0.11 C ATOM 848 O THR A 392 -6.262 -11.081 -2.025 1.00 0.14 O ATOM 849 CB THR A 392 -6.946 -12.070 -4.800 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.538 -12.686 -6.029 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.332 -11.474 -4.970 1.00 0.15 C ATOM 0 H THR A 392 -4.272 -11.986 -3.660 1.00 0.11 H new ATOM 0 HA THR A 392 -6.026 -10.179 -5.144 1.00 0.11 H new ATOM 0 HB THR A 392 -6.969 -12.823 -4.012 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.180 -13.385 -6.273 1.00 0.17 H new ATOM 0 HG21 THR A 392 -9.033 -12.259 -5.253 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.652 -11.023 -4.031 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.307 -10.712 -5.749 1.00 0.15 H new ATOM 859 N LEU A 393 -6.680 -9.150 -3.090 1.00 0.10 N ATOM 860 CA LEU A 393 -7.060 -8.400 -1.906 1.00 0.12 C ATOM 861 C LEU A 393 -8.468 -8.702 -1.473 1.00 0.15 C ATOM 862 O LEU A 393 -9.430 -8.054 -1.880 1.00 0.16 O ATOM 863 CB LEU A 393 -6.916 -6.934 -2.211 1.00 0.11 C ATOM 864 CG LEU A 393 -5.524 -6.342 -2.091 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.497 -7.308 -2.609 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.461 -5.075 -2.897 1.00 0.51 C ATOM 0 H LEU A 393 -6.727 -8.607 -3.952 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.407 -8.690 -1.083 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.271 -6.762 -3.227 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.578 -6.382 -1.544 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.315 -6.134 -1.042 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.504 -6.868 -2.516 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.541 -8.231 -2.030 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.700 -7.527 -3.657 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.464 -4.642 -2.817 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.677 -5.297 -3.942 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.196 -4.365 -2.518 1.00 0.51 H new ATOM 878 N LYS A 394 -8.555 -9.701 -0.665 1.00 0.18 N ATOM 879 CA LYS A 394 -9.799 -10.144 -0.096 1.00 0.23 C ATOM 880 C LYS A 394 -9.996 -9.725 1.332 1.00 0.29 C ATOM 881 O LYS A 394 -9.176 -9.017 1.921 1.00 0.29 O ATOM 882 CB LYS A 394 -9.773 -11.609 -0.189 1.00 0.25 C ATOM 883 CG LYS A 394 -9.737 -12.018 -1.588 1.00 0.23 C ATOM 884 CD LYS A 394 -10.232 -13.364 -1.690 1.00 0.27 C ATOM 885 CE LYS A 394 -9.585 -13.942 -2.866 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.905 -15.381 -3.067 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.749 -10.252 -0.369 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.628 -9.691 -0.639 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.901 -12.000 0.335 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.653 -12.029 0.299 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.345 -11.346 -2.194 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.719 -11.960 -1.972 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.995 -13.936 -0.793 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.317 -13.374 -1.797 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.889 -13.383 -3.751 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.505 -13.827 -2.771 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.416 -15.730 -3.916 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.591 -15.925 -2.238 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.932 -15.495 -3.188 1.00 0.33 H new ATOM 1015 N GLU A 404 -13.085 -8.832 -2.940 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.847 -9.248 -3.548 1.00 0.21 C ATOM 1017 C GLU A 404 -11.334 -8.178 -4.474 1.00 0.20 C ATOM 1018 O GLU A 404 -12.108 -7.451 -5.096 1.00 0.23 O ATOM 1019 CB GLU A 404 -12.020 -10.527 -4.351 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.240 -11.762 -3.504 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.578 -12.419 -3.763 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.724 -13.097 -4.799 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.493 -12.256 -2.930 1.00 0.53 O ATOM 0 HA GLU A 404 -11.138 -9.425 -2.739 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.867 -10.407 -5.027 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.136 -10.677 -4.971 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.444 -12.479 -3.702 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.171 -11.492 -2.450 1.00 0.24 H new ATOM 1030 N SER A 405 -10.029 -8.071 -4.543 1.00 0.16 N ATOM 1031 CA SER A 405 -9.403 -7.225 -5.513 1.00 0.15 C ATOM 1032 C SER A 405 -8.139 -7.889 -5.963 1.00 0.13 C ATOM 1033 O SER A 405 -7.107 -7.799 -5.301 1.00 0.11 O ATOM 1034 CB SER A 405 -9.054 -5.873 -4.918 1.00 0.15 C ATOM 1035 OG SER A 405 -9.878 -5.566 -3.801 1.00 0.19 O ATOM 0 H SER A 405 -9.381 -8.566 -3.931 1.00 0.16 H new ATOM 0 HA SER A 405 -10.091 -7.070 -6.344 1.00 0.15 H new ATOM 0 HB2 SER A 405 -8.008 -5.868 -4.612 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.167 -5.100 -5.678 1.00 0.15 H new ATOM 0 HG SER A 405 -9.627 -4.690 -3.440 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.202 -8.578 -7.084 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.066 -9.274 -7.613 1.00 0.14 C ATOM 1043 C PRO A 406 -6.045 -8.289 -8.098 1.00 0.13 C ATOM 1044 O PRO A 406 -6.221 -7.596 -9.102 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.645 -10.141 -8.728 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.105 -10.119 -8.470 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.376 -8.767 -7.913 1.00 0.18 C ATOM 0 HA PRO A 406 -6.541 -9.888 -6.881 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.406 -9.739 -9.713 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.248 -11.155 -8.693 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.670 -10.289 -9.386 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.394 -10.901 -7.767 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.460 -8.008 -8.691 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.300 -8.735 -7.336 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.981 -8.259 -7.356 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.984 -7.260 -7.450 1.00 0.09 C ATOM 1057 C VAL A 407 -2.755 -7.906 -8.060 1.00 0.11 C ATOM 1058 O VAL A 407 -2.602 -9.118 -8.023 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.763 -6.735 -6.015 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.510 -7.208 -5.368 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.943 -5.250 -5.889 1.00 0.08 C ATOM 0 H VAL A 407 -4.784 -8.961 -6.643 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.250 -6.414 -8.084 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.569 -7.196 -5.444 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.439 -6.790 -4.364 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.520 -8.296 -5.308 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.652 -6.885 -5.958 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.773 -4.949 -4.855 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.230 -4.741 -6.537 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.957 -4.980 -6.183 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.913 -7.122 -8.663 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.778 -7.660 -9.382 1.00 0.12 C ATOM 1073 C ASN A 408 0.382 -7.778 -8.443 1.00 0.10 C ATOM 1074 O ASN A 408 1.311 -8.539 -8.685 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.445 -6.743 -10.540 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.536 -6.746 -11.578 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.462 -7.456 -12.583 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.573 -5.973 -11.324 1.00 0.38 N ATOM 0 H ASN A 408 -1.983 -6.105 -8.676 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.010 -8.649 -9.777 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.296 -5.728 -10.171 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.494 -7.058 -10.996 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.359 -5.945 -11.973 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.589 -5.403 -10.479 1.00 0.38 H new ATOM 1085 N TYR A 409 0.300 -7.033 -7.356 1.00 0.08 N ATOM 1086 CA TYR A 409 1.407 -6.871 -6.430 1.00 0.06 C ATOM 1087 C TYR A 409 0.850 -6.421 -5.095 1.00 0.06 C ATOM 1088 O TYR A 409 0.141 -5.418 -5.015 1.00 0.06 O ATOM 1089 CB TYR A 409 2.456 -5.863 -6.936 1.00 0.06 C ATOM 1090 CG TYR A 409 3.097 -6.259 -8.247 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.547 -5.873 -9.459 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.280 -6.981 -8.268 1.00 0.11 C ATOM 1093 CE1 TYR A 409 3.153 -6.203 -10.653 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.900 -7.305 -9.454 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.218 -7.054 -10.661 1.00 0.17 C ATOM 1096 OH TYR A 409 4.939 -7.233 -11.841 1.00 0.27 O ATOM 0 H TYR A 409 -0.540 -6.520 -7.089 1.00 0.08 H new ATOM 0 HA TYR A 409 1.919 -7.829 -6.333 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.983 -4.888 -7.053 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.234 -5.752 -6.181 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.629 -5.304 -9.469 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.724 -7.296 -7.335 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.785 -5.788 -11.580 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.888 -7.742 -9.459 1.00 0.17 H new ATOM 0 HH TYR A 409 5.668 -7.869 -11.685 1.00 0.27 H new ATOM 1106 N TRP A 410 1.199 -7.142 -4.057 1.00 0.06 N ATOM 1107 CA TRP A 410 0.545 -7.008 -2.769 1.00 0.06 C ATOM 1108 C TRP A 410 1.519 -7.213 -1.638 1.00 0.06 C ATOM 1109 O TRP A 410 2.341 -8.115 -1.652 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.563 -8.043 -2.719 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.216 -8.243 -1.409 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.378 -9.421 -0.806 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.805 -7.262 -0.575 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.076 -9.256 0.372 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.345 -7.911 0.538 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.921 -5.902 -0.683 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -3.014 -7.203 1.554 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.564 -5.195 0.295 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.112 -5.838 1.409 1.00 0.07 C ATOM 0 H TRP A 410 1.943 -7.839 -4.077 1.00 0.06 H new ATOM 0 HA TRP A 410 0.140 -6.003 -2.654 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.328 -7.760 -3.442 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.153 -8.999 -3.046 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -1.016 -10.366 -1.184 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.348 -10.002 1.013 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.506 -5.389 -1.538 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.433 -7.710 2.411 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.650 -4.122 0.205 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.618 -5.256 2.165 1.00 0.07 H new ATOM 1130 N MET A 411 1.452 -6.335 -0.679 1.00 0.08 N ATOM 1131 CA MET A 411 2.214 -6.494 0.525 1.00 0.09 C ATOM 1132 C MET A 411 1.233 -6.683 1.666 1.00 0.12 C ATOM 1133 O MET A 411 0.703 -5.696 2.184 1.00 0.14 O ATOM 1134 CB MET A 411 3.083 -5.266 0.774 1.00 0.10 C ATOM 1135 CG MET A 411 3.805 -4.735 -0.454 1.00 0.09 C ATOM 1136 SD MET A 411 5.000 -5.895 -1.117 1.00 0.06 S ATOM 1137 CE MET A 411 5.853 -4.878 -2.313 1.00 0.06 C ATOM 0 H MET A 411 0.873 -5.496 -0.709 1.00 0.08 H new ATOM 0 HA MET A 411 2.876 -7.356 0.442 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.457 -4.472 1.181 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.823 -5.511 1.536 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.072 -4.496 -1.225 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.313 -3.805 -0.197 1.00 0.09 H new ATOM 0 HE1 MET A 411 6.918 -5.112 -2.296 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.454 -5.075 -3.308 1.00 0.06 H new ATOM 0 HE3 MET A 411 5.708 -3.826 -2.065 1.00 0.06 H new ATOM 1147 N PRO A 412 0.925 -7.940 2.039 1.00 0.13 N ATOM 1148 CA PRO A 412 -0.032 -8.227 3.104 1.00 0.19 C ATOM 1149 C PRO A 412 0.480 -7.815 4.474 1.00 0.25 C ATOM 1150 O PRO A 412 0.743 -8.655 5.330 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.239 -9.740 3.033 1.00 0.24 C ATOM 1152 CG PRO A 412 0.994 -10.258 2.377 1.00 0.23 C ATOM 1153 CD PRO A 412 1.462 -9.175 1.441 1.00 0.16 C ATOM 0 HA PRO A 412 -0.956 -7.664 2.968 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.370 -10.169 4.026 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.130 -9.992 2.457 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.760 -10.490 3.117 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.787 -11.179 1.833 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.550 -9.147 1.373 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.083 -9.328 0.430 1.00 0.16 H new ATOM 1237 N VAL A 418 -4.031 -2.082 7.398 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.542 -1.579 6.122 1.00 0.26 C ATOM 1239 C VAL A 418 -2.927 -2.681 5.257 1.00 0.24 C ATOM 1240 O VAL A 418 -2.775 -3.824 5.686 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.479 -0.494 6.399 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.027 0.234 5.130 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.013 0.499 7.400 1.00 0.75 C ATOM 0 HA VAL A 418 -4.390 -1.171 5.571 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.602 -1.000 6.803 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.280 0.985 5.388 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.595 -0.484 4.433 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.884 0.720 4.665 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.259 1.263 7.592 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -3.912 0.969 7.002 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.254 -0.016 8.330 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.600 -2.320 4.028 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.827 -3.165 3.163 1.00 0.18 C ATOM 1255 C GLY A 419 -1.565 -2.466 1.867 1.00 0.14 C ATOM 1256 O GLY A 419 -2.489 -2.088 1.157 1.00 0.15 O ATOM 0 H GLY A 419 -2.868 -1.429 3.610 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.883 -3.425 3.643 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.360 -4.098 2.981 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.308 -2.280 1.564 1.00 0.10 N ATOM 1261 CA ILE A 420 0.069 -1.575 0.369 1.00 0.08 C ATOM 1262 C ILE A 420 0.017 -2.510 -0.832 1.00 0.08 C ATOM 1263 O ILE A 420 0.359 -3.691 -0.726 1.00 0.09 O ATOM 1264 CB ILE A 420 1.495 -1.010 0.487 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.538 0.267 1.333 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.071 -0.756 -0.887 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.704 0.023 2.814 1.00 0.29 C ATOM 0 H ILE A 420 0.474 -2.608 2.130 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.634 -0.753 0.236 1.00 0.08 H new ATOM 0 HB ILE A 420 2.104 -1.756 0.997 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.360 0.893 0.985 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.618 0.829 1.170 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.080 -0.356 -0.790 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.103 -1.691 -1.447 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.445 -0.037 -1.417 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.725 0.978 3.340 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.869 -0.575 3.180 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.638 -0.510 2.992 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.409 -1.977 -1.971 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.600 -2.801 -3.154 1.00 0.06 C ATOM 1281 C HIS A 421 -0.588 -1.974 -4.419 1.00 0.07 C ATOM 1282 O HIS A 421 -0.808 -0.770 -4.382 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.936 -3.504 -3.050 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.114 -2.604 -3.031 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.637 -1.967 -4.132 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.874 -2.250 -1.984 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.683 -1.247 -3.724 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.875 -1.384 -2.421 1.00 0.08 N ATOM 0 H HIS A 421 -0.626 -0.989 -2.098 1.00 0.07 H new ATOM 0 HA HIS A 421 0.220 -3.517 -3.204 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -2.035 -4.191 -3.890 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.943 -4.107 -2.142 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.288 -2.033 -5.088 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.733 -2.582 -0.966 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.293 -0.633 -4.371 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.360 -2.641 -5.538 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.487 -2.010 -6.832 1.00 0.07 C ATOM 1298 C ASP A 422 -1.953 -2.075 -7.241 1.00 0.11 C ATOM 1299 O ASP A 422 -2.664 -2.981 -6.849 1.00 0.20 O ATOM 1300 CB ASP A 422 0.394 -2.725 -7.857 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.365 -3.748 -8.691 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.872 -4.732 -8.118 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.470 -3.558 -9.922 1.00 0.80 O ATOM 0 H ASP A 422 -0.085 -3.623 -5.572 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.160 -0.971 -6.784 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.842 -1.985 -8.521 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.212 -3.224 -7.338 1.00 0.09 H new ATOM 1308 N SER A 423 -2.421 -1.097 -7.972 1.00 0.09 N ATOM 1309 CA SER A 423 -3.844 -0.987 -8.247 1.00 0.11 C ATOM 1310 C SER A 423 -4.072 -0.698 -9.705 1.00 0.14 C ATOM 1311 O SER A 423 -4.061 0.445 -10.143 1.00 0.17 O ATOM 1312 CB SER A 423 -4.462 0.116 -7.371 1.00 0.14 C ATOM 1313 OG SER A 423 -5.833 0.278 -7.645 1.00 0.23 O ATOM 0 H SER A 423 -1.847 -0.365 -8.389 1.00 0.09 H new ATOM 0 HA SER A 423 -4.328 -1.934 -8.007 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.326 -0.133 -6.319 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.940 1.057 -7.545 1.00 0.14 H new ATOM 0 HG SER A 423 -6.200 0.984 -7.073 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.337 -1.762 -10.438 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.476 -1.688 -11.876 1.00 0.21 C ATOM 1321 C ASP A 424 -5.867 -1.204 -12.237 1.00 0.24 C ATOM 1322 O ASP A 424 -6.122 -0.721 -13.339 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.195 -3.056 -12.481 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.550 -3.146 -13.951 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.724 -2.741 -14.796 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.654 -3.634 -14.271 1.00 0.37 O ATOM 0 H ASP A 424 -4.461 -2.698 -10.053 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.757 -0.976 -12.281 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.138 -3.291 -12.355 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.758 -3.811 -11.932 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.684 6.590 -11.307 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.266 7.782 -10.637 1.00 0.22 C ATOM 1388 C GLU A 428 -5.373 7.521 -9.452 1.00 0.21 C ATOM 1389 O GLU A 428 -5.458 6.493 -8.776 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.476 8.532 -10.140 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.491 7.648 -9.495 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.864 8.279 -9.484 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.993 9.433 -9.037 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -10.828 7.613 -9.920 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.699 8.358 -11.369 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.157 9.290 -9.425 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -7.939 9.057 -10.976 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -8.533 6.697 -10.026 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.184 7.429 -8.472 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.539 8.508 -9.226 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.695 8.633 -8.069 1.00 0.14 C ATOM 1403 C TYR A 429 -3.291 10.071 -8.065 1.00 0.17 C ATOM 1404 O TYR A 429 -2.953 10.633 -9.108 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.411 7.796 -8.042 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.524 6.424 -8.635 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.678 6.252 -9.996 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.467 5.300 -7.825 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.772 4.989 -10.539 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.561 4.040 -8.355 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.753 3.907 -9.745 1.00 0.25 C ATOM 1412 OH TYR A 429 -2.816 2.628 -10.231 1.00 0.33 O ATOM 0 H TYR A 429 -4.428 9.283 -9.879 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.264 8.273 -7.212 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.632 8.340 -8.575 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -2.082 7.700 -7.007 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.725 7.116 -10.642 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.346 5.420 -6.758 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -2.861 4.869 -11.609 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.490 3.168 -7.722 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.509 2.129 -9.750 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.366 10.673 -6.942 1.00 0.15 N ATOM 1423 CA GLY A 430 -3.012 12.061 -6.865 1.00 0.17 C ATOM 1424 C GLY A 430 -3.425 12.635 -5.569 1.00 0.17 C ATOM 1425 O GLY A 430 -3.526 11.904 -4.582 1.00 0.16 O ATOM 0 H GLY A 430 -3.664 10.246 -6.065 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.935 12.174 -6.992 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.488 12.608 -7.679 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.588 13.947 -5.542 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.265 14.562 -4.434 1.00 0.21 C ATOM 1431 C GLY A 431 -5.510 13.807 -4.073 1.00 0.19 C ATOM 1432 O GLY A 431 -5.972 12.928 -4.808 1.00 0.18 O ATOM 0 H GLY A 431 -3.264 14.590 -6.265 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.598 14.601 -3.573 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.521 15.591 -4.686 1.00 0.21 H new ATOM 1436 N ASP A 432 -6.108 14.236 -3.012 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.938 13.385 -2.210 1.00 0.21 C ATOM 1438 C ASP A 432 -8.002 12.630 -3.004 1.00 0.18 C ATOM 1439 O ASP A 432 -9.027 13.156 -3.421 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.572 14.261 -1.145 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.427 15.388 -1.706 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.867 16.353 -2.260 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.670 15.301 -1.612 1.00 1.85 O1- ATOM 0 H ASP A 432 -6.037 15.194 -2.670 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.318 12.602 -1.773 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.188 13.639 -0.495 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.785 14.689 -0.524 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.680 11.354 -3.211 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.606 10.362 -3.724 1.00 0.13 C ATOM 1450 C LEU A 433 -9.229 9.620 -2.563 1.00 0.12 C ATOM 1451 O LEU A 433 -10.358 9.209 -2.610 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.906 9.314 -4.593 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.790 9.533 -6.080 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.515 10.738 -6.553 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.365 9.535 -6.475 1.00 1.08 C ATOM 0 H LEU A 433 -6.750 10.980 -3.022 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.345 10.894 -4.323 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.896 9.189 -4.203 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.425 8.367 -4.443 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.286 8.700 -6.579 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -8.391 10.837 -7.631 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.575 10.641 -6.317 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -8.113 11.622 -6.059 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.286 9.694 -7.550 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.843 10.336 -5.951 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -5.914 8.577 -6.215 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.431 9.416 -1.530 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.797 8.553 -0.407 1.00 0.10 C ATOM 1469 C TRP A 434 -10.109 8.967 0.236 1.00 0.11 C ATOM 1470 O TRP A 434 -10.801 8.154 0.829 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.665 8.554 0.620 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.408 9.901 1.188 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.559 10.848 0.702 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.023 10.455 2.346 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.668 11.994 1.460 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.544 11.761 2.485 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.949 9.975 3.273 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.967 12.593 3.510 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.359 10.800 4.285 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.874 12.099 4.396 1.00 0.16 C ATOM 0 H TRP A 434 -7.509 9.842 -1.440 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.945 7.543 -0.790 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.912 7.865 1.428 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.754 8.182 0.151 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.902 10.721 -0.146 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.177 12.871 1.286 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.335 8.970 3.193 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.589 13.600 3.602 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.072 10.436 5.010 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.224 12.728 5.201 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.440 10.241 0.122 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.649 10.760 0.716 1.00 0.14 C ATOM 1493 C LYS A 435 -12.811 10.713 -0.247 1.00 0.17 C ATOM 1494 O LYS A 435 -13.969 10.566 0.137 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.397 12.183 1.164 1.00 0.15 C ATOM 1496 CG LYS A 435 -10.073 12.688 0.683 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.762 14.052 1.197 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.371 14.307 2.548 1.00 0.18 C ATOM 1499 NZ LYS A 435 -10.043 15.659 3.071 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.883 10.933 -0.379 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.915 10.137 1.570 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.191 12.829 0.789 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.432 12.234 2.252 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.289 11.998 0.995 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -10.068 12.704 -0.407 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.681 14.176 1.259 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -10.128 14.796 0.490 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.454 14.199 2.482 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -10.018 13.553 3.251 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.485 15.787 4.004 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -9.011 15.756 3.161 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.403 16.382 2.415 1.00 0.22 H new ATOM 1513 N THR A 436 -12.471 10.880 -1.496 1.00 0.16 N ATOM 1514 CA THR A 436 -13.441 10.941 -2.571 1.00 0.19 C ATOM 1515 C THR A 436 -13.760 9.555 -3.098 1.00 0.19 C ATOM 1516 O THR A 436 -14.917 9.189 -3.302 1.00 0.22 O ATOM 1517 CB THR A 436 -12.860 11.809 -3.695 1.00 0.23 C ATOM 1518 OG1 THR A 436 -11.856 11.093 -4.427 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.214 13.014 -3.071 1.00 0.21 C ATOM 0 H THR A 436 -11.504 10.979 -1.806 1.00 0.16 H new ATOM 0 HA THR A 436 -14.369 11.373 -2.196 1.00 0.19 H new ATOM 0 HB THR A 436 -13.663 12.090 -4.376 1.00 0.23 H new ATOM 0 HG1 THR A 436 -11.501 11.665 -5.139 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.793 13.647 -3.852 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.960 13.577 -2.510 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.420 12.693 -2.397 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.711 8.793 -3.290 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.810 7.435 -3.769 1.00 0.20 C ATOM 1529 C ARG A 437 -12.913 6.479 -2.606 1.00 0.20 C ATOM 1530 O ARG A 437 -13.371 5.346 -2.750 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.559 7.112 -4.566 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.095 8.186 -5.428 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.198 7.596 -6.445 1.00 0.40 C ATOM 1534 NE ARG A 437 -10.884 6.575 -7.240 1.00 0.71 N ATOM 1535 CZ ARG A 437 -10.891 5.248 -7.020 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.328 4.723 -5.938 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -11.517 4.451 -7.874 1.00 1.47 N ATOM 0 H ARG A 437 -11.754 9.101 -3.116 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.699 7.333 -4.392 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.760 6.850 -3.872 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.752 6.231 -5.178 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.939 8.683 -5.906 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.567 8.942 -4.846 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.826 8.381 -7.103 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.331 7.154 -5.954 1.00 0.40 H new ATOM 0 HE ARG A 437 -11.413 6.906 -8.047 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -9.878 5.329 -5.252 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.346 3.714 -5.793 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -11.987 4.845 -8.689 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -11.528 3.443 -7.717 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.480 6.971 -1.452 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.791 6.341 -0.193 1.00 0.18 C ATOM 1553 C GLY A 438 -12.490 4.860 -0.147 1.00 0.21 C ATOM 1554 O GLY A 438 -13.328 4.084 0.315 1.00 0.24 O ATOM 0 H GLY A 438 -11.908 7.812 -1.371 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.229 6.839 0.597 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.848 6.492 0.024 1.00 0.18 H new ATOM 1558 N SER A 439 -11.323 4.442 -0.607 1.00 0.22 N ATOM 1559 CA SER A 439 -11.104 3.022 -0.792 1.00 0.27 C ATOM 1560 C SER A 439 -10.651 2.333 0.494 1.00 0.27 C ATOM 1561 O SER A 439 -9.530 2.531 0.956 1.00 0.27 O ATOM 1562 CB SER A 439 -10.090 2.826 -1.907 1.00 0.31 C ATOM 1563 OG SER A 439 -9.303 3.996 -2.074 1.00 1.01 O ATOM 0 H SER A 439 -10.537 5.044 -0.852 1.00 0.22 H new ATOM 0 HA SER A 439 -12.050 2.556 -1.067 1.00 0.27 H new ATOM 0 HB2 SER A 439 -9.446 1.977 -1.676 1.00 0.31 H new ATOM 0 HB3 SER A 439 -10.605 2.591 -2.838 1.00 0.31 H new ATOM 0 HG SER A 439 -8.621 3.837 -2.760 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.547 1.501 1.031 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.304 0.701 2.237 1.00 0.32 C ATOM 1571 C HIS A 440 -10.469 1.430 3.296 1.00 0.28 C ATOM 1572 O HIS A 440 -10.919 2.405 3.899 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.632 -0.626 1.893 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.447 -1.566 1.065 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.736 -1.921 1.385 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -11.135 -2.259 -0.058 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -13.182 -2.788 0.506 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.235 -3.009 -0.386 1.00 0.48 N ATOM 0 H HIS A 440 -12.476 1.361 0.635 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.289 0.519 2.666 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.703 -0.416 1.364 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.363 -1.128 2.822 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.197 -2.226 -0.593 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -14.161 -3.244 0.512 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.309 -3.635 -1.188 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.241 0.954 3.499 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.401 1.487 4.556 1.00 0.22 C ATOM 1589 C GLY A 441 -6.914 1.503 4.225 1.00 0.17 C ATOM 1590 O GLY A 441 -6.134 2.117 4.958 1.00 0.26 O ATOM 0 H GLY A 441 -8.815 0.208 2.949 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -8.722 2.504 4.782 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.554 0.896 5.459 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.497 0.829 3.147 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.084 0.765 2.813 1.00 0.15 C ATOM 1596 C CYS A 442 -4.708 1.752 1.715 1.00 0.13 C ATOM 1597 O CYS A 442 -5.431 2.696 1.432 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.691 -0.647 2.377 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.530 -1.229 0.890 1.00 0.35 S ATOM 0 H CYS A 442 -7.113 0.330 2.505 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.538 1.035 3.717 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.615 -0.675 2.207 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.903 -1.338 3.193 1.00 0.24 H new ATOM 0 HG CYS A 442 -5.125 -2.431 0.606 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.497 1.572 1.191 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.927 2.475 0.204 1.00 0.07 C ATOM 1606 C ILE A 443 -2.993 1.872 -1.179 1.00 0.08 C ATOM 1607 O ILE A 443 -2.595 0.727 -1.394 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.452 2.806 0.523 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.314 3.752 1.725 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.759 3.413 -0.694 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.678 3.155 3.067 1.00 0.11 C ATOM 0 H ILE A 443 -2.886 0.794 1.442 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.517 3.391 0.239 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.968 1.865 0.783 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.284 4.105 1.771 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.943 4.625 1.552 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.278 3.638 -0.447 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.789 2.704 -1.521 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.271 4.331 -0.984 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.546 3.905 3.847 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.718 2.829 3.050 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.033 2.301 3.272 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.465 2.670 -2.111 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.658 2.225 -3.471 1.00 0.08 C ATOM 1625 C ASN A 444 -2.537 2.739 -4.360 1.00 0.07 C ATOM 1626 O ASN A 444 -2.588 3.864 -4.855 1.00 0.11 O ATOM 1627 CB ASN A 444 -4.988 2.727 -3.996 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.188 2.301 -3.166 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.222 2.960 -3.191 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.067 1.219 -2.417 1.00 0.15 N ATOM 0 H ASN A 444 -3.725 3.643 -1.947 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.651 1.135 -3.483 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -4.960 3.816 -4.041 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.121 2.369 -5.017 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.847 0.910 -1.837 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.193 0.693 -2.419 1.00 0.15 H new ATOM 1637 N THR A 445 -1.528 1.919 -4.531 1.00 0.08 N ATOM 1638 CA THR A 445 -0.365 2.247 -5.310 1.00 0.08 C ATOM 1639 C THR A 445 -0.514 1.857 -6.775 1.00 0.08 C ATOM 1640 O THR A 445 -1.155 0.883 -7.102 1.00 0.10 O ATOM 1641 CB THR A 445 0.816 1.514 -4.694 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.722 1.546 -3.262 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.092 2.147 -5.110 1.00 0.06 C ATOM 0 H THR A 445 -1.495 0.985 -4.122 1.00 0.08 H new ATOM 0 HA THR A 445 -0.220 3.327 -5.294 1.00 0.08 H new ATOM 0 HB THR A 445 0.796 0.481 -5.040 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.591 1.795 -2.883 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.928 1.611 -4.661 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.179 2.111 -6.196 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.108 3.186 -4.779 1.00 0.06 H new ATOM 1651 N PRO A 446 0.044 2.679 -7.670 1.00 0.08 N ATOM 1652 CA PRO A 446 0.124 2.393 -9.107 1.00 0.10 C ATOM 1653 C PRO A 446 0.716 1.039 -9.415 1.00 0.14 C ATOM 1654 O PRO A 446 1.594 0.540 -8.705 1.00 0.24 O ATOM 1655 CB PRO A 446 1.032 3.503 -9.629 1.00 0.10 C ATOM 1656 CG PRO A 446 0.841 4.622 -8.681 1.00 0.08 C ATOM 1657 CD PRO A 446 0.598 3.997 -7.346 1.00 0.07 C ATOM 0 HA PRO A 446 -0.864 2.366 -9.566 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.073 3.182 -9.658 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.760 3.793 -10.644 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.720 5.266 -8.656 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.002 5.245 -8.979 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.520 3.913 -6.771 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.097 4.587 -6.749 1.00 0.07 H new ATOM 1665 N PRO A 447 0.239 0.433 -10.500 1.00 0.12 N ATOM 1666 CA PRO A 447 0.632 -0.906 -10.894 1.00 0.12 C ATOM 1667 C PRO A 447 2.086 -0.971 -11.337 1.00 0.14 C ATOM 1668 O PRO A 447 2.750 -2.003 -11.228 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.284 -1.208 -12.066 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.383 -0.237 -11.952 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.729 0.993 -11.450 1.00 0.13 C ATOM 0 HA PRO A 447 0.548 -1.615 -10.071 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.241 -1.100 -13.015 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.656 -2.232 -12.022 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -1.866 -0.067 -12.914 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.154 -0.587 -11.266 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.244 1.556 -12.247 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.436 1.668 -10.967 1.00 0.13 H new ATOM 1679 N SER A 448 2.577 0.157 -11.809 1.00 0.12 N ATOM 1680 CA SER A 448 3.916 0.259 -12.348 1.00 0.11 C ATOM 1681 C SER A 448 4.968 0.271 -11.252 1.00 0.09 C ATOM 1682 O SER A 448 6.126 -0.052 -11.469 1.00 0.09 O ATOM 1683 CB SER A 448 4.005 1.546 -13.136 1.00 0.14 C ATOM 1684 OG SER A 448 3.600 2.645 -12.336 1.00 1.10 O ATOM 0 H SER A 448 2.055 1.033 -11.829 1.00 0.12 H new ATOM 0 HA SER A 448 4.108 -0.609 -12.978 1.00 0.11 H new ATOM 0 HB2 SER A 448 5.027 1.698 -13.483 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.374 1.481 -14.023 1.00 0.14 H new ATOM 0 HG SER A 448 3.664 3.471 -12.859 1.00 1.10 H new ATOM 1690 N VAL A 449 4.562 0.704 -10.082 1.00 0.07 N ATOM 1691 CA VAL A 449 5.500 0.941 -9.006 1.00 0.06 C ATOM 1692 C VAL A 449 5.541 -0.181 -8.009 1.00 0.05 C ATOM 1693 O VAL A 449 6.597 -0.695 -7.698 1.00 0.05 O ATOM 1694 CB VAL A 449 5.173 2.259 -8.330 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.265 3.355 -9.352 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.804 2.201 -7.725 1.00 0.06 C ATOM 0 H VAL A 449 3.588 0.900 -9.849 1.00 0.07 H new ATOM 0 HA VAL A 449 6.498 0.991 -9.442 1.00 0.06 H new ATOM 0 HB VAL A 449 5.882 2.457 -7.526 1.00 0.06 H new ATOM 0 HG11 VAL A 449 5.033 4.311 -8.882 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.275 3.388 -9.761 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.554 3.163 -10.156 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.579 3.152 -7.242 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.069 2.008 -8.506 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.767 1.401 -6.986 1.00 0.06 H new ATOM 1706 N MET A 450 4.410 -0.597 -7.524 1.00 0.05 N ATOM 1707 CA MET A 450 4.399 -1.645 -6.530 1.00 0.05 C ATOM 1708 C MET A 450 4.882 -2.950 -7.137 1.00 0.05 C ATOM 1709 O MET A 450 5.037 -3.951 -6.438 1.00 0.06 O ATOM 1710 CB MET A 450 3.032 -1.776 -5.875 1.00 0.07 C ATOM 1711 CG MET A 450 2.979 -1.281 -4.434 1.00 0.06 C ATOM 1712 SD MET A 450 3.272 -2.580 -3.213 1.00 0.06 S ATOM 1713 CE MET A 450 2.958 -4.043 -4.170 1.00 0.05 C ATOM 0 H MET A 450 3.493 -0.238 -7.790 1.00 0.05 H new ATOM 0 HA MET A 450 5.093 -1.378 -5.733 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.304 -1.220 -6.465 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.729 -2.823 -5.899 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.722 -0.495 -4.301 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.003 -0.832 -4.248 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.855 -4.899 -3.503 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.038 -3.914 -4.740 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.788 -4.215 -4.855 1.00 0.05 H new ATOM 1723 N LYS A 451 5.171 -2.931 -8.417 1.00 0.05 N ATOM 1724 CA LYS A 451 5.757 -4.081 -9.045 1.00 0.05 C ATOM 1725 C LYS A 451 7.245 -4.073 -8.758 1.00 0.05 C ATOM 1726 O LYS A 451 7.863 -5.091 -8.433 1.00 0.06 O ATOM 1727 CB LYS A 451 5.509 -4.039 -10.533 1.00 0.06 C ATOM 1728 CG LYS A 451 6.257 -2.954 -11.168 1.00 0.06 C ATOM 1729 CD LYS A 451 5.997 -2.892 -12.624 1.00 0.08 C ATOM 1730 CE LYS A 451 7.073 -2.098 -13.281 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.309 -2.895 -13.496 1.00 0.92 N1+ ATOM 0 H LYS A 451 5.010 -2.136 -9.036 1.00 0.05 H new ATOM 0 HA LYS A 451 5.309 -4.994 -8.652 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.797 -4.991 -10.979 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.444 -3.908 -10.722 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.983 -2.005 -10.708 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.324 -3.096 -10.994 1.00 0.06 H new ATOM 0 HD2 LYS A 451 5.964 -3.898 -13.043 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.025 -2.436 -12.813 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.713 -1.725 -14.239 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.306 -1.228 -12.667 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.093 -2.470 -12.962 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.155 -3.870 -13.168 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.545 -2.904 -14.509 1.00 0.92 H new ATOM 1745 N GLU A 452 7.766 -2.845 -8.816 1.00 0.05 N ATOM 1746 CA GLU A 452 9.141 -2.537 -8.640 1.00 0.05 C ATOM 1747 C GLU A 452 9.494 -2.959 -7.277 1.00 0.05 C ATOM 1748 O GLU A 452 10.513 -3.564 -6.999 1.00 0.06 O ATOM 1749 CB GLU A 452 9.250 -1.040 -8.704 1.00 0.05 C ATOM 1750 CG GLU A 452 8.759 -0.478 -9.990 1.00 0.07 C ATOM 1751 CD GLU A 452 9.832 -0.346 -11.046 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.032 -1.304 -11.819 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.474 0.720 -11.113 1.00 0.25 O1- ATOM 0 H GLU A 452 7.195 -2.019 -8.996 1.00 0.05 H new ATOM 0 HA GLU A 452 9.780 -3.017 -9.381 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.682 -0.604 -7.882 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.291 -0.750 -8.561 1.00 0.05 H new ATOM 0 HG2 GLU A 452 7.961 -1.114 -10.373 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.322 0.503 -9.804 1.00 0.07 H new ATOM 1760 N LEU A 453 8.593 -2.537 -6.442 1.00 0.04 N ATOM 1761 CA LEU A 453 8.521 -2.868 -5.084 1.00 0.04 C ATOM 1762 C LEU A 453 8.689 -4.319 -4.836 1.00 0.05 C ATOM 1763 O LEU A 453 9.662 -4.722 -4.233 1.00 0.05 O ATOM 1764 CB LEU A 453 7.157 -2.456 -4.624 1.00 0.04 C ATOM 1765 CG LEU A 453 7.149 -1.853 -3.281 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.334 -0.998 -3.136 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.945 -1.031 -3.062 1.00 0.05 C ATOM 0 H LEU A 453 7.844 -1.908 -6.731 1.00 0.04 H new ATOM 0 HA LEU A 453 9.326 -2.364 -4.549 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.742 -1.743 -5.336 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.502 -3.328 -4.627 1.00 0.04 H new ATOM 0 HG LEU A 453 7.154 -2.659 -2.547 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.338 -0.546 -2.144 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.234 -1.599 -3.264 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.311 -0.213 -3.892 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.974 -0.602 -2.060 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.913 -0.229 -3.799 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.056 -1.653 -3.165 1.00 0.05 H new ATOM 1779 N PHE A 454 7.735 -5.088 -5.284 1.00 0.05 N ATOM 1780 CA PHE A 454 7.817 -6.548 -5.164 1.00 0.06 C ATOM 1781 C PHE A 454 9.218 -7.020 -5.554 1.00 0.07 C ATOM 1782 O PHE A 454 9.720 -8.038 -5.069 1.00 0.09 O ATOM 1783 CB PHE A 454 6.749 -7.229 -6.037 1.00 0.07 C ATOM 1784 CG PHE A 454 6.889 -8.735 -6.149 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.788 -9.331 -7.035 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.104 -9.562 -5.356 1.00 0.09 C ATOM 1787 CE1 PHE A 454 7.887 -10.705 -7.115 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.206 -10.935 -5.439 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.193 -11.494 -6.388 1.00 0.12 C ATOM 0 H PHE A 454 6.888 -4.746 -5.737 1.00 0.05 H new ATOM 0 HA PHE A 454 7.627 -6.827 -4.128 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.765 -6.998 -5.629 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.788 -6.799 -7.038 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.411 -8.712 -7.663 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.402 -9.123 -4.663 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.582 -11.132 -7.823 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.587 -11.579 -4.832 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.326 -12.563 -6.466 1.00 0.12 H new ATOM 1799 N GLY A 455 9.866 -6.196 -6.373 1.00 0.06 N ATOM 1800 CA GLY A 455 11.159 -6.533 -6.900 1.00 0.08 C ATOM 1801 C GLY A 455 12.275 -6.073 -5.986 1.00 0.08 C ATOM 1802 O GLY A 455 13.334 -6.696 -5.938 1.00 0.13 O ATOM 0 H GLY A 455 9.505 -5.292 -6.679 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.225 -7.612 -7.040 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.282 -6.076 -7.882 1.00 0.08 H new ATOM 1806 N MET A 456 12.050 -4.978 -5.255 1.00 0.06 N ATOM 1807 CA MET A 456 13.049 -4.485 -4.332 1.00 0.05 C ATOM 1808 C MET A 456 12.809 -4.914 -2.918 1.00 0.05 C ATOM 1809 O MET A 456 13.745 -5.288 -2.213 1.00 0.06 O ATOM 1810 CB MET A 456 13.169 -2.988 -4.367 1.00 0.05 C ATOM 1811 CG MET A 456 11.885 -2.279 -4.514 1.00 0.04 C ATOM 1812 SD MET A 456 11.914 -1.112 -5.866 1.00 0.05 S ATOM 1813 CE MET A 456 10.487 -0.211 -5.374 1.00 0.04 C ATOM 0 H MET A 456 11.192 -4.428 -5.290 1.00 0.06 H new ATOM 0 HA MET A 456 13.982 -4.932 -4.675 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.653 -2.653 -3.450 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.822 -2.707 -5.193 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.088 -3.004 -4.678 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.653 -1.754 -3.587 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.674 -0.406 -6.074 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.187 -0.523 -4.374 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.714 0.855 -5.369 1.00 0.04 H new ATOM 1823 N VAL A 457 11.583 -4.833 -2.481 1.00 0.05 N ATOM 1824 CA VAL A 457 11.277 -5.238 -1.140 1.00 0.05 C ATOM 1825 C VAL A 457 11.324 -6.724 -1.008 1.00 0.07 C ATOM 1826 O VAL A 457 11.031 -7.482 -1.939 1.00 0.08 O ATOM 1827 CB VAL A 457 9.947 -4.690 -0.606 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.195 -3.910 -1.655 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.095 -5.797 -0.018 1.00 0.05 C ATOM 0 H VAL A 457 10.790 -4.495 -3.026 1.00 0.05 H new ATOM 0 HA VAL A 457 12.053 -4.794 -0.517 1.00 0.05 H new ATOM 0 HB VAL A 457 10.184 -3.992 0.197 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.260 -3.541 -1.233 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.802 -3.067 -1.986 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.979 -4.558 -2.505 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.159 -5.378 0.352 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.881 -6.539 -0.787 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.631 -6.271 0.804 1.00 0.05 H new ATOM 1839 N GLU A 458 11.718 -7.120 0.160 1.00 0.08 N ATOM 1840 CA GLU A 458 11.854 -8.489 0.475 1.00 0.10 C ATOM 1841 C GLU A 458 10.877 -8.838 1.565 1.00 0.09 C ATOM 1842 O GLU A 458 10.390 -7.963 2.274 1.00 0.10 O ATOM 1843 CB GLU A 458 13.276 -8.745 0.939 1.00 0.13 C ATOM 1844 CG GLU A 458 14.071 -7.478 1.086 1.00 0.20 C ATOM 1845 CD GLU A 458 15.379 -7.677 1.819 1.00 0.27 C ATOM 1846 OE1 GLU A 458 16.337 -8.191 1.208 1.00 0.48 O1- ATOM 1847 OE2 GLU A 458 15.456 -7.330 3.015 1.00 0.46 O ATOM 0 H GLU A 458 11.955 -6.488 0.924 1.00 0.08 H new ATOM 0 HA GLU A 458 11.647 -9.106 -0.399 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.254 -9.269 1.894 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.774 -9.402 0.226 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.275 -7.068 0.097 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.472 -6.740 1.620 1.00 0.20 H new ATOM 1854 N LYS A 459 10.541 -10.108 1.651 1.00 0.11 N ATOM 1855 CA LYS A 459 9.802 -10.597 2.785 1.00 0.13 C ATOM 1856 C LYS A 459 10.596 -10.321 4.028 1.00 0.15 C ATOM 1857 O LYS A 459 11.556 -11.024 4.346 1.00 0.18 O ATOM 1858 CB LYS A 459 9.492 -12.074 2.674 1.00 0.16 C ATOM 1859 CG LYS A 459 8.548 -12.355 1.541 1.00 0.22 C ATOM 1860 CD LYS A 459 9.181 -13.210 0.481 1.00 0.70 C ATOM 1861 CE LYS A 459 9.323 -14.653 0.936 1.00 0.40 C ATOM 1862 NZ LYS A 459 9.833 -15.530 -0.151 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.769 -10.814 0.951 1.00 0.11 H new ATOM 0 HA LYS A 459 8.843 -10.079 2.823 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.417 -12.631 2.525 1.00 0.16 H new ATOM 0 HB3 LYS A 459 9.055 -12.426 3.609 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.658 -12.854 1.926 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.220 -11.414 1.100 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.578 -13.172 -0.426 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.163 -12.810 0.228 1.00 0.70 H new ATOM 0 HE2 LYS A 459 10.001 -14.700 1.788 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.356 -15.023 1.277 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.916 -16.506 0.200 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.174 -15.506 -0.955 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 10.767 -15.193 -0.460 1.00 0.99 H new ATOM 1876 N GLY A 460 10.174 -9.292 4.713 1.00 0.15 N ATOM 1877 CA GLY A 460 10.887 -8.837 5.881 1.00 0.19 C ATOM 1878 C GLY A 460 11.153 -7.353 5.824 1.00 0.15 C ATOM 1879 O GLY A 460 11.558 -6.750 6.813 1.00 0.17 O ATOM 0 H GLY A 460 9.340 -8.751 4.484 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.309 -9.070 6.775 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.832 -9.374 5.964 1.00 0.19 H new ATOM 1883 N THR A 461 10.934 -6.774 4.655 1.00 0.12 N ATOM 1884 CA THR A 461 10.971 -5.344 4.485 1.00 0.07 C ATOM 1885 C THR A 461 9.806 -4.733 5.247 1.00 0.08 C ATOM 1886 O THR A 461 8.786 -5.381 5.454 1.00 0.13 O ATOM 1887 CB THR A 461 10.892 -4.999 2.974 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.121 -5.331 2.316 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.564 -3.541 2.742 1.00 0.05 C ATOM 0 H THR A 461 10.726 -7.290 3.800 1.00 0.12 H new ATOM 0 HA THR A 461 11.903 -4.937 4.877 1.00 0.07 H new ATOM 0 HB THR A 461 10.083 -5.595 2.552 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.840 -5.397 2.979 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.519 -3.344 1.671 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.600 -3.308 3.195 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.336 -2.918 3.193 1.00 0.05 H new ATOM 1897 N PRO A 462 9.942 -3.511 5.739 1.00 0.09 N ATOM 1898 CA PRO A 462 8.876 -2.837 6.398 1.00 0.14 C ATOM 1899 C PRO A 462 8.127 -1.973 5.415 1.00 0.13 C ATOM 1900 O PRO A 462 8.636 -1.652 4.340 1.00 0.18 O ATOM 1901 CB PRO A 462 9.610 -1.984 7.440 1.00 0.18 C ATOM 1902 CG PRO A 462 11.067 -2.132 7.118 1.00 0.13 C ATOM 1903 CD PRO A 462 11.120 -2.660 5.735 1.00 0.09 C ATOM 0 HA PRO A 462 8.134 -3.502 6.840 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.299 -0.941 7.384 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.394 -2.327 8.452 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.583 -1.175 7.192 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.555 -2.812 7.816 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.060 -1.870 4.986 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.035 -3.218 5.538 1.00 0.09 H new ATOM 1911 N VAL A 463 6.934 -1.603 5.755 1.00 0.09 N ATOM 1912 CA VAL A 463 6.238 -0.630 4.961 1.00 0.09 C ATOM 1913 C VAL A 463 5.864 0.499 5.865 1.00 0.08 C ATOM 1914 O VAL A 463 5.705 0.328 7.064 1.00 0.10 O ATOM 1915 CB VAL A 463 4.965 -1.144 4.277 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.195 -2.499 3.647 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.832 -1.164 5.271 1.00 0.54 C ATOM 0 H VAL A 463 6.423 -1.952 6.566 1.00 0.09 H new ATOM 0 HA VAL A 463 6.912 -0.339 4.155 1.00 0.09 H new ATOM 0 HB VAL A 463 4.694 -0.468 3.466 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.276 -2.839 3.169 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.986 -2.424 2.900 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.489 -3.213 4.416 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.928 -1.529 4.785 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.088 -1.822 6.102 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.660 -0.155 5.647 1.00 0.54 H new ATOM 1927 N LEU A 464 5.785 1.650 5.323 1.00 0.07 N ATOM 1928 CA LEU A 464 5.354 2.766 6.067 1.00 0.07 C ATOM 1929 C LEU A 464 4.368 3.516 5.268 1.00 0.07 C ATOM 1930 O LEU A 464 4.364 3.432 4.058 1.00 0.09 O ATOM 1931 CB LEU A 464 6.524 3.645 6.399 1.00 0.10 C ATOM 1932 CG LEU A 464 7.489 3.054 7.381 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.556 2.284 6.671 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.073 4.159 8.217 1.00 0.13 C ATOM 0 H LEU A 464 6.017 1.847 4.350 1.00 0.07 H new ATOM 0 HA LEU A 464 4.896 2.434 6.999 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.059 3.878 5.479 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.151 4.588 6.798 1.00 0.10 H new ATOM 0 HG LEU A 464 6.968 2.355 8.035 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.247 1.862 7.401 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.101 1.478 6.095 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.099 2.949 5.999 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.777 3.739 8.935 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.592 4.868 7.572 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.274 4.673 8.751 1.00 0.13 H new ATOM 1946 N VAL A 465 3.483 4.156 5.956 1.00 0.06 N ATOM 1947 CA VAL A 465 2.652 5.170 5.380 1.00 0.05 C ATOM 1948 C VAL A 465 2.583 6.263 6.410 1.00 0.08 C ATOM 1949 O VAL A 465 2.605 5.945 7.581 1.00 0.10 O ATOM 1950 CB VAL A 465 1.252 4.627 4.992 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.307 3.143 4.710 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.239 4.938 6.035 1.00 0.08 C ATOM 0 H VAL A 465 3.311 3.990 6.948 1.00 0.06 H new ATOM 0 HA VAL A 465 3.065 5.541 4.442 1.00 0.05 H new ATOM 0 HB VAL A 465 0.944 5.132 4.077 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.313 2.787 4.440 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.996 2.954 3.887 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.652 2.616 5.600 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.730 4.543 5.730 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.537 4.481 6.979 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.167 6.018 6.162 1.00 0.08 H new ATOM 1962 N PHE A 466 2.625 7.519 5.985 1.00 0.10 N ATOM 1963 CA PHE A 466 2.633 8.668 6.890 1.00 0.15 C ATOM 1964 C PHE A 466 2.840 9.967 6.124 1.00 0.21 C ATOM 1965 O PHE A 466 3.951 10.196 5.609 1.00 1.09 O ATOM 1966 CB PHE A 466 3.690 8.520 8.004 1.00 0.17 C ATOM 1967 CG PHE A 466 5.110 8.309 7.549 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.476 7.106 7.007 1.00 0.14 C ATOM 1969 CD2 PHE A 466 6.071 9.300 7.683 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.776 6.874 6.591 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.375 9.079 7.269 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.724 7.861 6.721 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.875 10.751 6.028 1.00 1.06 O ATOM 0 H PHE A 466 2.655 7.774 4.998 1.00 0.10 H new ATOM 0 HA PHE A 466 1.655 8.702 7.370 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.659 9.414 8.627 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.405 7.680 8.638 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.738 6.325 6.902 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.801 10.253 8.114 1.00 0.36 H new ATOM 0 HE1 PHE A 466 7.045 5.919 6.165 1.00 0.20 H new ATOM 0 HE2 PHE A 466 8.116 9.857 7.375 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.738 7.684 6.395 1.00 0.30 H new