USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=27 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 137:sc= -3.15! (180deg=-5.1!) USER MOD Set 1.2: A 450 MET CE :methyl -166:sc= -4.29! (180deg=-5.62!) USER MOD Set 2.1: A 421 HIS : no HD1:sc= -3.73 K(o=-4.5,f=-8.5!) USER MOD Set 2.2: A 439 SER OG : rot 155:sc= 0.712 USER MOD Set 2.3: A 442 CYS SG : rot 180:sc= 0.00185 USER MOD Set 2.4: A 444 ASN : amide:sc= -1.48 K(o=-4.5,f=-12!) USER MOD Set 3.1: A 370 SER OG : rot -49:sc= -5.47! USER MOD Set 3.2: A 377 THR OG1 : rot -30:sc= 2.04 USER MOD Set 4.1: A 356 TYR OH : rot 21:sc= -6.9! USER MOD Set 4.2: A 358 LYS NZ :NH3+ 180:sc= 1.22 (180deg=0.0311) USER MOD Single : A 343 THR OG1 : rot 8:sc= 0.813 USER MOD Single : A 344 TYR OH : rot 93:sc= 0.177 USER MOD Single : A 351 ASN : amide:sc= -2.01! K(o=-2!,f=-1.4) USER MOD Single : A 352 GLN : amide:sc= -2.74! C(o=-2.7!,f=-5.3!) USER MOD Single : A 353 HIS : no HE2:sc= -6.5! C(o=-6.5!,f=-7.1!) USER MOD Single : A 354 MET CE :methyl -126:sc= -5.06! (180deg=-5.83!) USER MOD Single : A 357 TYR OH : rot 32:sc= 0.484 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.84! USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 374 THR OG1 : rot 150:sc= -2.99 USER MOD Single : A 375 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 383 TYR OH : rot -90:sc= 1.23 USER MOD Single : A 386 ASN : amide:sc= -1.7! K(o=-1.7!,f=-1) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 408 ASN : amide:sc= -3.19! K(o=-3.2!,f=-0.29) USER MOD Single : A 409 TYR OH : rot 180:sc= -0.0215 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -124:sc= -5.94! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 445 THR OG1 : rot -135:sc= 0.375 USER MOD Single : A 448 SER OG : rot 180:sc= -0.0678 USER MOD Single : A 451 LYS NZ :NH3+ -117:sc= 0.602 (180deg=-0.00518) USER MOD Single : A 456 MET CE :methyl -107:sc= -20.1! (180deg=-28.5!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -150:sc= 0.0178 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.338 0.847 6.134 1.00 0.24 N ATOM 61 CA ASP A 342 17.535 1.820 5.439 1.00 0.20 C ATOM 62 C ASP A 342 17.048 1.218 4.145 1.00 0.17 C ATOM 63 O ASP A 342 17.630 1.433 3.087 1.00 0.19 O ATOM 64 CB ASP A 342 18.313 3.103 5.138 1.00 0.22 C ATOM 65 CG ASP A 342 18.982 3.706 6.355 1.00 0.31 C ATOM 66 OD1 ASP A 342 18.323 4.473 7.083 1.00 0.39 O ATOM 67 OD2 ASP A 342 20.184 3.433 6.573 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.698 2.086 6.084 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.072 2.890 4.385 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.633 3.837 4.706 1.00 0.22 H new ATOM 72 N THR A 343 15.970 0.471 4.261 1.00 0.13 N ATOM 73 CA THR A 343 15.213 -0.023 3.135 1.00 0.10 C ATOM 74 C THR A 343 13.812 -0.360 3.595 1.00 0.08 C ATOM 75 O THR A 343 13.642 -0.995 4.637 1.00 0.10 O ATOM 76 CB THR A 343 15.805 -1.277 2.482 1.00 0.11 C ATOM 77 OG1 THR A 343 17.100 -1.003 1.926 1.00 0.14 O ATOM 78 CG2 THR A 343 14.856 -1.746 1.395 1.00 0.08 C ATOM 0 H THR A 343 15.589 0.185 5.163 1.00 0.13 H new ATOM 0 HA THR A 343 15.231 0.771 2.388 1.00 0.10 H new ATOM 0 HB THR A 343 15.927 -2.055 3.235 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.389 -0.106 2.195 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.261 -2.639 0.918 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.886 -1.978 1.834 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.738 -0.959 0.650 1.00 0.08 H new ATOM 86 N TYR A 344 12.821 0.054 2.825 1.00 0.07 N ATOM 87 CA TYR A 344 11.434 -0.146 3.208 1.00 0.06 C ATOM 88 C TYR A 344 10.508 0.540 2.244 1.00 0.06 C ATOM 89 O TYR A 344 10.909 1.430 1.524 1.00 0.06 O ATOM 90 CB TYR A 344 11.184 0.450 4.579 1.00 0.08 C ATOM 91 CG TYR A 344 11.594 1.903 4.694 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.898 2.222 5.019 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.694 2.940 4.490 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.304 3.531 5.145 1.00 0.13 C ATOM 95 CE2 TYR A 344 11.089 4.254 4.611 1.00 0.11 C ATOM 96 CZ TYR A 344 12.396 4.547 4.942 1.00 0.13 C ATOM 97 OH TYR A 344 12.795 5.855 5.073 1.00 0.15 O ATOM 0 H TYR A 344 12.950 0.530 1.932 1.00 0.07 H new ATOM 0 HA TYR A 344 11.245 -1.220 3.209 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.124 0.361 4.817 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.728 -0.132 5.323 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.613 1.428 5.177 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.670 2.713 4.233 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.328 3.760 5.401 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.379 5.051 4.448 1.00 0.11 H new ATOM 0 HH TYR A 344 13.072 6.202 4.199 1.00 0.15 H new ATOM 107 N ILE A 345 9.270 0.108 2.217 1.00 0.06 N ATOM 108 CA ILE A 345 8.239 0.884 1.588 1.00 0.06 C ATOM 109 C ILE A 345 7.832 1.999 2.499 1.00 0.07 C ATOM 110 O ILE A 345 7.911 1.874 3.714 1.00 0.08 O ATOM 111 CB ILE A 345 6.973 0.089 1.273 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.267 -1.395 1.250 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.453 0.518 -0.074 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.330 -1.735 0.287 1.00 0.05 C ATOM 0 H ILE A 345 8.957 -0.774 2.623 1.00 0.06 H new ATOM 0 HA ILE A 345 8.666 1.237 0.649 1.00 0.06 H new ATOM 0 HB ILE A 345 6.229 0.282 2.045 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.564 -1.721 2.247 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.359 -1.940 0.994 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.549 -0.043 -0.310 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.224 1.584 -0.053 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.209 0.324 -0.835 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.507 -2.810 0.305 1.00 0.05 H new ATOM 0 HD12 ILE A 345 8.023 -1.435 -0.715 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.247 -1.212 0.558 1.00 0.05 H new ATOM 126 N GLU A 346 7.363 3.056 1.911 1.00 0.09 N ATOM 127 CA GLU A 346 6.991 4.231 2.659 1.00 0.12 C ATOM 128 C GLU A 346 5.865 4.946 1.939 1.00 0.17 C ATOM 129 O GLU A 346 5.788 4.903 0.731 1.00 0.21 O ATOM 130 CB GLU A 346 8.196 5.147 2.767 1.00 0.15 C ATOM 131 CG GLU A 346 7.899 6.368 3.589 1.00 0.13 C ATOM 132 CD GLU A 346 8.976 7.435 3.560 1.00 1.24 C ATOM 133 OE1 GLU A 346 9.944 7.340 4.344 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 8.881 8.359 2.722 1.00 1.53 O ATOM 0 H GLU A 346 7.225 3.135 0.903 1.00 0.09 H new ATOM 0 HA GLU A 346 6.656 3.949 3.657 1.00 0.12 H new ATOM 0 HB2 GLU A 346 9.027 4.602 3.214 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.513 5.449 1.769 1.00 0.15 H new ATOM 0 HG2 GLU A 346 6.965 6.806 3.238 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.739 6.062 4.623 1.00 0.13 H new ATOM 141 N VAL A 347 4.949 5.535 2.678 1.00 0.17 N ATOM 142 CA VAL A 347 3.881 6.294 2.072 1.00 0.17 C ATOM 143 C VAL A 347 3.633 7.585 2.820 1.00 0.20 C ATOM 144 O VAL A 347 4.082 7.748 3.942 1.00 0.45 O ATOM 145 CB VAL A 347 2.559 5.521 2.027 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.653 6.155 1.001 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.771 4.045 1.728 1.00 0.15 C ATOM 0 H VAL A 347 4.924 5.502 3.697 1.00 0.17 H new ATOM 0 HA VAL A 347 4.211 6.497 1.053 1.00 0.17 H new ATOM 0 HB VAL A 347 2.093 5.574 3.011 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.710 5.610 0.963 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.462 7.192 1.276 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.132 6.121 0.022 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.807 3.536 1.706 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.261 3.936 0.760 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.397 3.603 2.503 1.00 0.15 H new ATOM 157 N ASP A 348 2.956 8.500 2.153 1.00 0.10 N ATOM 158 CA ASP A 348 2.488 9.735 2.733 1.00 0.09 C ATOM 159 C ASP A 348 1.099 10.001 2.177 1.00 0.08 C ATOM 160 O ASP A 348 0.933 10.318 1.018 1.00 0.10 O ATOM 161 CB ASP A 348 3.436 10.883 2.360 1.00 0.12 C ATOM 162 CG ASP A 348 3.187 12.119 3.196 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.005 12.439 3.448 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.170 12.783 3.601 1.00 0.24 O ATOM 0 H ASP A 348 2.712 8.398 1.168 1.00 0.10 H new ATOM 0 HA ASP A 348 2.458 9.663 3.820 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.468 10.558 2.492 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.311 11.128 1.305 1.00 0.12 H new ATOM 169 N LEU A 349 0.119 9.810 3.030 1.00 0.08 N ATOM 170 CA LEU A 349 -1.301 9.749 2.656 1.00 0.09 C ATOM 171 C LEU A 349 -1.871 11.116 2.536 1.00 0.12 C ATOM 172 O LEU A 349 -2.795 11.386 1.784 1.00 0.16 O ATOM 173 CB LEU A 349 -2.063 9.028 3.747 1.00 0.10 C ATOM 174 CG LEU A 349 -1.403 7.759 4.203 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.724 7.095 3.037 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.415 8.065 5.283 1.00 0.08 C ATOM 0 H LEU A 349 0.276 9.688 4.030 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.386 9.231 1.701 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.177 9.696 4.601 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.066 8.797 3.387 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.155 7.079 4.602 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.246 6.174 3.371 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.463 6.863 2.270 1.00 0.07 H new ATOM 0 HD13 LEU A 349 0.029 7.766 2.624 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.062 7.142 5.612 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.343 8.749 4.900 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.929 8.528 6.126 1.00 0.08 H new ATOM 188 N GLU A 350 -1.324 11.924 3.405 1.00 0.13 N ATOM 189 CA GLU A 350 -1.600 13.336 3.504 1.00 0.15 C ATOM 190 C GLU A 350 -1.265 13.968 2.196 1.00 0.14 C ATOM 191 O GLU A 350 -1.955 14.839 1.674 1.00 0.17 O ATOM 192 CB GLU A 350 -0.684 13.887 4.558 1.00 0.18 C ATOM 193 CG GLU A 350 -0.552 12.969 5.710 1.00 0.19 C ATOM 194 CD GLU A 350 -0.643 13.656 7.055 1.00 0.28 C ATOM 195 OE1 GLU A 350 -1.736 14.145 7.403 1.00 0.60 O1- ATOM 196 OE2 GLU A 350 0.383 13.732 7.763 1.00 0.57 O ATOM 0 H GLU A 350 -0.644 11.604 4.094 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.644 13.527 3.752 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.299 14.069 4.125 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -1.064 14.849 4.902 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.331 12.209 5.648 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.405 12.451 5.642 1.00 0.19 H new ATOM 203 N ASN A 351 -0.124 13.521 1.740 1.00 0.12 N ATOM 204 CA ASN A 351 0.506 14.027 0.528 1.00 0.11 C ATOM 205 C ASN A 351 0.274 13.087 -0.634 1.00 0.09 C ATOM 206 O ASN A 351 0.835 13.249 -1.721 1.00 0.10 O ATOM 207 CB ASN A 351 1.995 14.205 0.786 1.00 0.13 C ATOM 208 CG ASN A 351 2.230 15.300 1.787 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.501 16.447 1.429 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.093 14.962 3.049 1.00 0.18 N ATOM 0 H ASN A 351 0.409 12.784 2.201 1.00 0.12 H new ATOM 0 HA ASN A 351 0.063 14.988 0.265 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.420 13.271 1.154 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.506 14.442 -0.147 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.212 15.663 3.780 1.00 0.18 H new ATOM 0 HD22 ASN A 351 1.868 13.999 3.297 1.00 0.18 H new ATOM 217 N GLN A 352 -0.567 12.098 -0.335 1.00 0.08 N ATOM 218 CA GLN A 352 -0.918 10.989 -1.220 1.00 0.08 C ATOM 219 C GLN A 352 0.219 10.559 -2.128 1.00 0.07 C ATOM 220 O GLN A 352 0.101 10.579 -3.352 1.00 0.08 O ATOM 221 CB GLN A 352 -2.171 11.271 -2.035 1.00 0.12 C ATOM 222 CG GLN A 352 -3.391 11.535 -1.186 1.00 0.21 C ATOM 223 CD GLN A 352 -3.559 13.001 -0.835 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.174 13.888 -1.594 1.00 2.15 O ATOM 225 NE2 GLN A 352 -4.119 13.266 0.330 1.00 1.89 N ATOM 0 H GLN A 352 -1.041 12.046 0.567 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.128 10.154 -0.552 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -1.991 12.133 -2.678 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.369 10.422 -2.689 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.278 11.189 -1.716 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.321 10.952 -0.268 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.426 12.503 0.933 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.245 14.234 0.627 1.00 1.89 H new ATOM 234 N HIS A 353 1.298 10.115 -1.524 1.00 0.05 N ATOM 235 CA HIS A 353 2.446 9.664 -2.272 1.00 0.05 C ATOM 236 C HIS A 353 3.064 8.462 -1.595 1.00 0.06 C ATOM 237 O HIS A 353 3.211 8.428 -0.391 1.00 0.07 O ATOM 238 CB HIS A 353 3.461 10.793 -2.395 1.00 0.06 C ATOM 239 CG HIS A 353 4.520 10.506 -3.400 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.473 10.906 -4.719 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.634 9.788 -3.269 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.530 10.420 -5.353 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.254 9.743 -4.484 1.00 0.07 N ATOM 0 H HIS A 353 1.403 10.057 -0.511 1.00 0.05 H new ATOM 0 HA HIS A 353 2.130 9.371 -3.273 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.944 11.712 -2.670 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.925 10.967 -1.424 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.743 11.482 -5.138 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.985 9.323 -2.360 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.759 10.555 -6.400 1.00 0.09 H new ATOM 252 N MET A 354 3.390 7.466 -2.385 1.00 0.05 N ATOM 253 CA MET A 354 3.980 6.259 -1.883 1.00 0.06 C ATOM 254 C MET A 354 5.412 6.130 -2.382 1.00 0.05 C ATOM 255 O MET A 354 5.774 6.686 -3.413 1.00 0.06 O ATOM 256 CB MET A 354 3.179 5.051 -2.316 1.00 0.07 C ATOM 257 CG MET A 354 3.494 3.811 -1.514 1.00 0.07 C ATOM 258 SD MET A 354 3.792 2.367 -2.538 1.00 0.06 S ATOM 259 CE MET A 354 5.017 3.032 -3.656 1.00 0.05 C ATOM 0 H MET A 354 3.251 7.475 -3.395 1.00 0.05 H new ATOM 0 HA MET A 354 3.980 6.306 -0.794 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.116 5.275 -2.224 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.373 4.853 -3.370 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.372 3.998 -0.896 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.666 3.604 -0.836 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.692 2.878 -4.685 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.138 4.099 -3.470 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.969 2.525 -3.496 1.00 0.05 H new ATOM 269 N TRP A 355 6.196 5.373 -1.655 1.00 0.05 N ATOM 270 CA TRP A 355 7.612 5.214 -1.910 1.00 0.07 C ATOM 271 C TRP A 355 8.057 3.802 -1.655 1.00 0.07 C ATOM 272 O TRP A 355 7.463 3.091 -0.859 1.00 0.11 O ATOM 273 CB TRP A 355 8.440 6.072 -0.958 1.00 0.08 C ATOM 274 CG TRP A 355 8.349 7.522 -1.187 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.083 8.257 -2.033 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.484 8.404 -0.520 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.713 9.571 -1.959 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.717 9.686 -1.008 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.526 8.217 0.444 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.993 10.781 -0.528 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.835 9.265 0.904 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.059 10.543 0.428 1.00 0.09 C ATOM 0 H TRP A 355 5.864 4.838 -0.853 1.00 0.05 H new ATOM 0 HA TRP A 355 7.762 5.501 -2.951 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.125 5.861 0.064 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.485 5.772 -1.038 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.855 7.868 -2.680 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.104 10.335 -2.510 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.331 7.227 0.830 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.170 11.778 -0.903 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.085 9.109 1.665 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.482 11.366 0.823 1.00 0.09 H new ATOM 293 N TYR A 356 9.112 3.415 -2.317 1.00 0.04 N ATOM 294 CA TYR A 356 9.985 2.409 -1.787 1.00 0.04 C ATOM 295 C TYR A 356 11.249 3.093 -1.429 1.00 0.04 C ATOM 296 O TYR A 356 11.623 4.077 -2.036 1.00 0.05 O ATOM 297 CB TYR A 356 10.324 1.347 -2.768 1.00 0.03 C ATOM 298 CG TYR A 356 11.216 0.260 -2.182 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.714 -0.737 -1.369 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.570 0.272 -2.406 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.542 -1.674 -0.785 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.395 -0.658 -1.845 1.00 0.10 C ATOM 303 CZ TYR A 356 12.784 -1.800 -1.205 1.00 0.05 C ATOM 304 OH TYR A 356 13.732 -2.518 -0.427 1.00 0.26 O ATOM 0 H TYR A 356 9.387 3.783 -3.227 1.00 0.04 H new ATOM 0 HA TYR A 356 9.481 1.931 -0.947 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.404 0.894 -3.138 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.825 1.798 -3.625 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.651 -0.784 -1.186 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.992 1.036 -3.042 1.00 0.05 H new ATOM 0 HE1 TYR A 356 11.173 -2.301 0.013 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.469 -0.545 -1.878 1.00 0.10 H new ATOM 0 HH TYR A 356 13.262 -3.120 0.187 1.00 0.26 H new ATOM 314 N TYR A 357 11.912 2.535 -0.502 1.00 0.05 N ATOM 315 CA TYR A 357 13.144 3.085 -0.016 1.00 0.06 C ATOM 316 C TYR A 357 14.213 2.040 -0.026 1.00 0.06 C ATOM 317 O TYR A 357 14.096 1.017 0.628 1.00 0.07 O ATOM 318 CB TYR A 357 13.009 3.639 1.392 1.00 0.07 C ATOM 319 CG TYR A 357 12.607 5.081 1.454 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.289 5.468 1.262 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.554 6.058 1.710 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.925 6.799 1.327 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.205 7.384 1.775 1.00 0.11 C ATOM 324 CZ TYR A 357 11.885 7.755 1.583 1.00 0.11 C ATOM 325 OH TYR A 357 11.514 9.078 1.660 1.00 0.14 O ATOM 0 H TYR A 357 11.627 1.671 -0.041 1.00 0.05 H new ATOM 0 HA TYR A 357 13.410 3.906 -0.681 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.273 3.046 1.934 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.960 3.517 1.910 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.538 4.719 1.059 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.584 5.772 1.861 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.895 7.089 1.178 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.956 8.134 1.975 1.00 0.11 H new ATOM 0 HH TYR A 357 10.601 9.142 2.011 1.00 0.14 H new ATOM 335 N LYS A 358 15.225 2.300 -0.795 1.00 0.07 N ATOM 336 CA LYS A 358 16.440 1.546 -0.733 1.00 0.09 C ATOM 337 C LYS A 358 17.518 2.522 -0.348 1.00 0.13 C ATOM 338 O LYS A 358 17.561 3.612 -0.861 1.00 0.25 O ATOM 339 CB LYS A 358 16.784 0.910 -2.063 1.00 0.11 C ATOM 340 CG LYS A 358 17.771 -0.207 -1.921 1.00 0.12 C ATOM 341 CD LYS A 358 17.097 -1.348 -1.272 1.00 0.09 C ATOM 342 CE LYS A 358 16.537 -2.246 -2.317 1.00 0.09 C ATOM 343 NZ LYS A 358 15.966 -3.496 -1.752 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.232 3.047 -1.489 1.00 0.07 H new ATOM 0 HA LYS A 358 16.338 0.732 -0.015 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.874 0.531 -2.528 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.191 1.669 -2.731 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.155 -0.500 -2.898 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.626 0.116 -1.327 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.803 -1.894 -0.647 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.301 -0.991 -0.618 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.762 -1.715 -2.870 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.321 -2.499 -3.031 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.590 -4.085 -2.522 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.709 -4.020 -1.247 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.199 -3.259 -1.091 1.00 0.10 H new ATOM 357 N ASP A 359 18.362 2.119 0.571 1.00 0.13 N ATOM 358 CA ASP A 359 19.541 2.897 0.958 1.00 0.16 C ATOM 359 C ASP A 359 19.206 4.155 1.726 1.00 0.16 C ATOM 360 O ASP A 359 20.053 5.030 1.897 1.00 0.28 O ATOM 361 CB ASP A 359 20.374 3.289 -0.241 1.00 0.19 C ATOM 362 CG ASP A 359 21.826 2.884 -0.100 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.620 3.686 0.432 1.00 0.39 O1- ATOM 364 OD2 ASP A 359 22.184 1.762 -0.517 1.00 0.43 O ATOM 0 H ASP A 359 18.261 1.241 1.080 1.00 0.13 H new ATOM 0 HA ASP A 359 20.106 2.231 1.611 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.957 2.826 -1.135 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.314 4.368 -0.383 1.00 0.19 H new ATOM 369 N GLY A 360 17.986 4.215 2.232 1.00 0.15 N ATOM 370 CA GLY A 360 17.510 5.419 2.891 1.00 0.15 C ATOM 371 C GLY A 360 17.079 6.467 1.932 1.00 0.14 C ATOM 372 O GLY A 360 16.743 7.592 2.304 1.00 0.18 O ATOM 0 H GLY A 360 17.312 3.450 2.200 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.675 5.165 3.544 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.301 5.817 3.526 1.00 0.15 H new ATOM 376 N LYS A 361 17.059 6.065 0.708 1.00 0.13 N ATOM 377 CA LYS A 361 16.636 6.886 -0.376 1.00 0.13 C ATOM 378 C LYS A 361 15.618 6.052 -1.107 1.00 0.09 C ATOM 379 O LYS A 361 15.355 4.933 -0.695 1.00 0.12 O ATOM 380 CB LYS A 361 17.857 7.170 -1.215 1.00 0.16 C ATOM 381 CG LYS A 361 18.362 5.946 -1.937 1.00 0.17 C ATOM 382 CD LYS A 361 19.404 6.274 -2.951 1.00 0.23 C ATOM 383 CE LYS A 361 18.828 7.175 -4.016 1.00 0.26 C ATOM 384 NZ LYS A 361 19.682 7.221 -5.230 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.345 5.128 0.424 1.00 0.13 H new ATOM 0 HA LYS A 361 16.199 7.843 -0.091 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.620 7.945 -1.944 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.648 7.563 -0.577 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.773 5.244 -1.212 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.527 5.446 -2.427 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.250 6.763 -2.469 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.782 5.358 -3.405 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.832 6.825 -4.287 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.714 8.182 -3.615 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 19.249 7.851 -5.935 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.625 7.580 -4.978 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.771 6.264 -5.628 1.00 0.37 H new ATOM 398 N VAL A 362 14.992 6.555 -2.132 1.00 0.09 N ATOM 399 CA VAL A 362 13.950 5.758 -2.723 1.00 0.07 C ATOM 400 C VAL A 362 14.278 5.090 -4.004 1.00 0.07 C ATOM 401 O VAL A 362 15.143 5.495 -4.778 1.00 0.10 O ATOM 402 CB VAL A 362 12.651 6.489 -2.903 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.219 7.034 -1.591 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.743 7.559 -3.921 1.00 0.09 C ATOM 0 H VAL A 362 15.169 7.464 -2.560 1.00 0.09 H new ATOM 0 HA VAL A 362 13.844 4.980 -1.967 1.00 0.07 H new ATOM 0 HB VAL A 362 11.907 5.783 -3.272 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.276 7.567 -1.711 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.086 6.216 -0.883 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.978 7.720 -1.214 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.778 8.057 -4.013 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.498 8.284 -3.619 1.00 0.09 H new ATOM 0 HG23 VAL A 362 13.021 7.125 -4.881 1.00 0.09 H new ATOM 414 N ALA A 363 13.486 4.065 -4.203 1.00 0.05 N ATOM 415 CA ALA A 363 13.551 3.235 -5.338 1.00 0.05 C ATOM 416 C ALA A 363 12.337 3.539 -6.148 1.00 0.05 C ATOM 417 O ALA A 363 12.301 3.423 -7.371 1.00 0.07 O ATOM 418 CB ALA A 363 13.542 1.786 -4.899 1.00 0.05 C ATOM 0 H ALA A 363 12.758 3.792 -3.543 1.00 0.05 H new ATOM 0 HA ALA A 363 14.458 3.406 -5.917 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.592 1.140 -5.775 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.402 1.595 -4.258 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.625 1.579 -4.347 1.00 0.05 H new ATOM 424 N LEU A 364 11.345 3.948 -5.396 1.00 0.04 N ATOM 425 CA LEU A 364 10.047 4.225 -5.904 1.00 0.04 C ATOM 426 C LEU A 364 9.528 5.516 -5.405 1.00 0.05 C ATOM 427 O LEU A 364 9.752 5.917 -4.264 1.00 0.06 O ATOM 428 CB LEU A 364 9.127 3.123 -5.471 1.00 0.04 C ATOM 429 CG LEU A 364 8.434 2.431 -6.593 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.445 2.087 -7.640 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.789 1.194 -6.079 1.00 0.05 C ATOM 0 H LEU A 364 11.432 4.098 -4.391 1.00 0.04 H new ATOM 0 HA LEU A 364 10.104 4.287 -6.991 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.699 2.389 -4.904 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.378 3.535 -4.795 1.00 0.04 H new ATOM 0 HG LEU A 364 7.669 3.077 -7.024 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.952 1.579 -8.469 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.918 3.000 -8.003 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.203 1.431 -7.212 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.280 0.683 -6.896 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.549 0.536 -5.657 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.065 1.455 -5.307 1.00 0.05 H new ATOM 443 N GLU A 365 8.809 6.134 -6.279 1.00 0.05 N ATOM 444 CA GLU A 365 8.140 7.338 -5.995 1.00 0.06 C ATOM 445 C GLU A 365 6.850 7.223 -6.710 1.00 0.05 C ATOM 446 O GLU A 365 6.832 7.120 -7.935 1.00 0.07 O ATOM 447 CB GLU A 365 8.955 8.473 -6.560 1.00 0.10 C ATOM 448 CG GLU A 365 9.133 9.651 -5.624 1.00 0.16 C ATOM 449 CD GLU A 365 10.245 10.584 -6.060 1.00 0.27 C ATOM 450 OE1 GLU A 365 10.013 11.413 -6.964 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.356 10.495 -5.502 1.00 0.48 O ATOM 0 H GLU A 365 8.673 5.799 -7.233 1.00 0.05 H new ATOM 0 HA GLU A 365 7.995 7.520 -4.930 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.939 8.094 -6.836 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.480 8.823 -7.476 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.198 10.209 -5.567 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.346 9.283 -4.620 1.00 0.16 H new ATOM 458 N THR A 366 5.774 7.237 -5.995 1.00 0.05 N ATOM 459 CA THR A 366 4.543 7.127 -6.657 1.00 0.06 C ATOM 460 C THR A 366 3.454 7.848 -5.927 1.00 0.06 C ATOM 461 O THR A 366 3.585 8.205 -4.778 1.00 0.07 O ATOM 462 CB THR A 366 4.189 5.649 -6.848 1.00 0.06 C ATOM 463 OG1 THR A 366 3.618 5.433 -8.122 1.00 0.07 O ATOM 464 CG2 THR A 366 3.210 5.198 -5.802 1.00 0.07 C ATOM 0 H THR A 366 5.733 7.322 -4.979 1.00 0.05 H new ATOM 0 HA THR A 366 4.638 7.600 -7.634 1.00 0.06 H new ATOM 0 HB THR A 366 5.112 5.076 -6.758 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.092 5.973 -8.789 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.972 4.145 -5.956 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.648 5.330 -4.813 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.298 5.791 -5.877 1.00 0.07 H new ATOM 472 N ASP A 367 2.392 8.055 -6.616 1.00 0.07 N ATOM 473 CA ASP A 367 1.274 8.748 -6.104 1.00 0.09 C ATOM 474 C ASP A 367 0.169 7.761 -5.783 1.00 0.09 C ATOM 475 O ASP A 367 -0.111 6.866 -6.564 1.00 0.11 O ATOM 476 CB ASP A 367 0.896 9.764 -7.162 1.00 0.13 C ATOM 477 CG ASP A 367 0.654 9.186 -8.556 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.385 8.262 -8.981 1.00 1.80 O1- ATOM 479 OD2 ASP A 367 -0.240 9.693 -9.261 1.00 1.65 O ATOM 0 H ASP A 367 2.276 7.737 -7.578 1.00 0.07 H new ATOM 0 HA ASP A 367 1.479 9.267 -5.168 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.006 10.284 -6.839 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.688 10.510 -7.227 1.00 0.13 H new ATOM 484 N ILE A 368 -0.395 7.879 -4.587 1.00 0.09 N ATOM 485 CA ILE A 368 -1.334 6.890 -4.086 1.00 0.08 C ATOM 486 C ILE A 368 -2.561 7.514 -3.510 1.00 0.07 C ATOM 487 O ILE A 368 -2.780 8.717 -3.578 1.00 0.08 O ATOM 488 CB ILE A 368 -0.717 6.037 -2.980 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.060 6.905 -2.022 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.158 4.974 -3.575 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.778 7.561 -0.937 1.00 0.08 C ATOM 0 H ILE A 368 -0.216 8.653 -3.947 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.592 6.279 -4.951 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.515 5.548 -2.422 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.833 6.299 -1.549 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.569 7.684 -2.590 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.593 4.372 -2.777 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.438 4.336 -4.228 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.956 5.441 -4.153 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.135 8.165 -0.296 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.534 8.198 -1.396 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.266 6.791 -0.339 1.00 0.08 H new ATOM 503 N VAL A 369 -3.332 6.656 -2.908 1.00 0.07 N ATOM 504 CA VAL A 369 -4.477 7.049 -2.140 1.00 0.08 C ATOM 505 C VAL A 369 -4.685 6.027 -1.038 1.00 0.09 C ATOM 506 O VAL A 369 -4.794 4.828 -1.283 1.00 0.10 O ATOM 507 CB VAL A 369 -5.754 7.258 -3.012 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.507 6.911 -4.483 1.00 0.10 C ATOM 509 CG2 VAL A 369 -6.950 6.486 -2.461 1.00 0.09 C ATOM 0 H VAL A 369 -3.180 5.648 -2.937 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.289 8.027 -1.697 1.00 0.08 H new ATOM 0 HB VAL A 369 -5.994 8.320 -2.962 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.422 7.071 -5.053 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.716 7.548 -4.879 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.206 5.866 -4.565 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.818 6.658 -3.097 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.719 5.421 -2.443 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.168 6.827 -1.449 1.00 0.09 H new ATOM 519 N SER A 370 -4.614 6.526 0.174 1.00 0.09 N ATOM 520 CA SER A 370 -4.827 5.734 1.377 1.00 0.08 C ATOM 521 C SER A 370 -6.313 5.449 1.582 1.00 0.08 C ATOM 522 O SER A 370 -7.106 5.644 0.662 1.00 0.10 O ATOM 523 CB SER A 370 -4.187 6.382 2.610 1.00 0.13 C ATOM 524 OG SER A 370 -3.210 5.543 3.157 1.00 1.26 O ATOM 0 H SER A 370 -4.404 7.506 0.362 1.00 0.09 H new ATOM 0 HA SER A 370 -4.325 4.777 1.239 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.741 7.338 2.335 1.00 0.13 H new ATOM 0 HB3 SER A 370 -4.953 6.591 3.356 1.00 0.13 H new ATOM 0 HG SER A 370 -3.576 4.640 3.261 1.00 1.26 H new ATOM 530 N GLY A 371 -6.698 4.944 2.735 1.00 0.09 N ATOM 531 CA GLY A 371 -8.075 4.541 2.896 1.00 0.12 C ATOM 532 C GLY A 371 -8.971 5.683 3.332 1.00 0.12 C ATOM 533 O GLY A 371 -8.508 6.799 3.572 1.00 0.14 O ATOM 0 H GLY A 371 -6.099 4.806 3.549 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.443 4.135 1.954 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.131 3.739 3.632 1.00 0.12 H new ATOM 537 N LYS A 372 -10.258 5.392 3.419 1.00 0.16 N ATOM 538 CA LYS A 372 -11.297 6.410 3.547 1.00 0.16 C ATOM 539 C LYS A 372 -11.391 6.952 4.975 1.00 0.18 C ATOM 540 O LYS A 372 -10.993 6.308 5.932 1.00 0.21 O ATOM 541 CB LYS A 372 -12.617 5.774 3.133 1.00 0.19 C ATOM 542 CG LYS A 372 -13.179 4.843 4.170 1.00 0.27 C ATOM 543 CD LYS A 372 -14.180 3.924 3.547 1.00 0.47 C ATOM 544 CE LYS A 372 -15.461 4.648 3.214 1.00 0.81 C ATOM 545 NZ LYS A 372 -16.423 3.782 2.484 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.618 4.438 3.403 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.055 7.259 2.907 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.343 6.561 2.929 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.472 5.225 2.202 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.375 4.264 4.624 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -13.648 5.417 4.969 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.761 3.488 2.640 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.393 3.100 4.228 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.923 5.006 4.134 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -15.233 5.526 2.609 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -17.288 4.322 2.277 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -15.994 3.460 1.593 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -16.662 2.957 3.071 1.00 0.79 H new ATOM 559 N PRO A 373 -11.936 8.183 5.100 1.00 0.19 N ATOM 560 CA PRO A 373 -12.009 8.952 6.355 1.00 0.21 C ATOM 561 C PRO A 373 -12.767 8.245 7.442 1.00 0.24 C ATOM 562 O PRO A 373 -12.582 8.502 8.627 1.00 0.28 O ATOM 563 CB PRO A 373 -12.851 10.146 5.961 1.00 0.23 C ATOM 564 CG PRO A 373 -12.578 10.330 4.536 1.00 0.21 C ATOM 565 CD PRO A 373 -12.533 8.943 3.996 1.00 0.19 C ATOM 0 HA PRO A 373 -11.009 9.153 6.739 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.910 9.962 6.142 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.578 11.031 6.535 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.356 10.921 4.054 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.635 10.852 4.374 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.527 8.575 3.743 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.930 8.881 3.090 1.00 0.19 H new ATOM 573 N THR A 374 -13.691 7.432 7.000 1.00 0.25 N ATOM 574 CA THR A 374 -14.588 6.725 7.894 1.00 0.28 C ATOM 575 C THR A 374 -13.839 5.607 8.603 1.00 0.30 C ATOM 576 O THR A 374 -14.117 5.261 9.754 1.00 0.33 O ATOM 577 CB THR A 374 -15.774 6.125 7.122 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.343 5.014 6.337 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.371 7.162 6.204 1.00 0.29 C ATOM 0 H THR A 374 -13.848 7.237 6.011 1.00 0.25 H new ATOM 0 HA THR A 374 -14.968 7.439 8.625 1.00 0.28 H new ATOM 0 HB THR A 374 -16.520 5.795 7.845 1.00 0.29 H new ATOM 0 HG1 THR A 374 -16.078 4.372 6.247 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.211 6.727 5.661 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.719 8.011 6.792 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.615 7.498 5.494 1.00 0.29 H new ATOM 587 N THR A 375 -12.884 5.062 7.879 1.00 0.28 N ATOM 588 CA THR A 375 -12.022 4.000 8.365 1.00 0.31 C ATOM 589 C THR A 375 -10.609 4.245 7.865 1.00 0.29 C ATOM 590 O THR A 375 -10.060 3.565 6.996 1.00 0.29 O ATOM 591 CB THR A 375 -12.567 2.632 7.967 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.589 1.602 8.172 1.00 0.39 O ATOM 593 CG2 THR A 375 -13.049 2.652 6.525 1.00 0.31 C ATOM 0 H THR A 375 -12.680 5.347 6.921 1.00 0.28 H new ATOM 0 HA THR A 375 -11.998 4.005 9.455 1.00 0.31 H new ATOM 0 HB THR A 375 -13.418 2.405 8.609 1.00 0.34 H new ATOM 0 HG1 THR A 375 -11.966 0.736 7.910 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.435 1.669 6.257 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.840 3.394 6.416 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.218 2.908 5.867 1.00 0.31 H new ATOM 601 N PRO A 376 -10.057 5.284 8.455 1.00 0.28 N ATOM 602 CA PRO A 376 -8.814 5.942 8.082 1.00 0.26 C ATOM 603 C PRO A 376 -7.593 5.070 8.060 1.00 0.26 C ATOM 604 O PRO A 376 -7.540 4.000 8.675 1.00 0.38 O ATOM 605 CB PRO A 376 -8.680 7.001 9.165 1.00 0.29 C ATOM 606 CG PRO A 376 -10.058 7.288 9.521 1.00 0.32 C ATOM 607 CD PRO A 376 -10.674 5.949 9.579 1.00 0.32 C ATOM 0 HA PRO A 376 -8.865 6.305 7.055 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.112 6.633 10.019 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.166 7.889 8.798 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.128 7.806 10.478 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.542 7.923 8.779 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.460 5.442 10.520 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.759 5.995 9.481 1.00 0.32 H new ATOM 615 N THR A 377 -6.603 5.560 7.354 1.00 0.17 N ATOM 616 CA THR A 377 -5.334 4.955 7.323 1.00 0.21 C ATOM 617 C THR A 377 -4.506 5.487 8.501 1.00 0.17 C ATOM 618 O THR A 377 -4.463 6.695 8.745 1.00 0.21 O ATOM 619 CB THR A 377 -4.695 5.263 5.965 1.00 0.33 C ATOM 620 OG1 THR A 377 -5.176 4.346 4.977 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.200 5.228 6.026 1.00 0.22 C ATOM 0 H THR A 377 -6.678 6.403 6.784 1.00 0.17 H new ATOM 0 HA THR A 377 -5.394 3.872 7.430 1.00 0.21 H new ATOM 0 HB THR A 377 -4.983 6.277 5.687 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.386 3.488 5.402 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.790 5.452 5.041 1.00 0.22 H new ATOM 0 HG22 THR A 377 -2.848 5.970 6.743 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.872 4.237 6.339 1.00 0.22 H new ATOM 629 N PRO A 378 -3.862 4.586 9.263 1.00 0.14 N ATOM 630 CA PRO A 378 -3.197 4.913 10.533 1.00 0.15 C ATOM 631 C PRO A 378 -1.916 5.692 10.321 1.00 0.13 C ATOM 632 O PRO A 378 -1.662 6.692 10.988 1.00 0.16 O ATOM 633 CB PRO A 378 -2.855 3.519 11.093 1.00 0.17 C ATOM 634 CG PRO A 378 -3.714 2.588 10.325 1.00 0.19 C ATOM 635 CD PRO A 378 -3.686 3.165 8.963 1.00 0.17 C ATOM 0 HA PRO A 378 -3.819 5.532 11.180 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.799 3.286 10.959 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.062 3.459 12.162 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.324 1.570 10.341 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.727 2.547 10.726 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.746 2.965 8.449 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.484 2.774 8.332 1.00 0.17 H new ATOM 643 N ALA A 379 -1.139 5.220 9.368 1.00 0.11 N ATOM 644 CA ALA A 379 0.196 5.718 9.099 1.00 0.10 C ATOM 645 C ALA A 379 1.143 5.587 10.284 1.00 0.10 C ATOM 646 O ALA A 379 0.801 5.799 11.450 1.00 0.13 O ATOM 647 CB ALA A 379 0.184 7.128 8.551 1.00 0.11 C ATOM 0 H ALA A 379 -1.423 4.464 8.745 1.00 0.11 H new ATOM 0 HA ALA A 379 0.593 5.067 8.320 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.207 7.455 8.366 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.379 7.151 7.618 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.285 7.795 9.274 1.00 0.11 H new ATOM 653 N GLY A 380 2.346 5.223 9.924 1.00 0.10 N ATOM 654 CA GLY A 380 3.412 4.991 10.854 1.00 0.11 C ATOM 655 C GLY A 380 4.362 3.973 10.289 1.00 0.12 C ATOM 656 O GLY A 380 5.002 4.214 9.270 1.00 0.20 O ATOM 0 H GLY A 380 2.615 5.077 8.951 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.940 5.923 11.057 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.009 4.639 11.804 1.00 0.11 H new ATOM 660 N VAL A 381 4.420 2.819 10.921 1.00 0.12 N ATOM 661 CA VAL A 381 5.236 1.732 10.438 1.00 0.13 C ATOM 662 C VAL A 381 4.413 0.438 10.379 1.00 0.15 C ATOM 663 O VAL A 381 3.843 -0.019 11.374 1.00 0.25 O ATOM 664 CB VAL A 381 6.481 1.572 11.334 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.153 0.884 12.647 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.598 0.845 10.598 1.00 0.82 C ATOM 0 H VAL A 381 3.906 2.612 11.777 1.00 0.12 H new ATOM 0 HA VAL A 381 5.576 1.955 9.427 1.00 0.13 H new ATOM 0 HB VAL A 381 6.832 2.575 11.576 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.059 0.792 13.246 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.415 1.473 13.192 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.749 -0.108 12.447 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.463 0.747 11.254 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.254 -0.146 10.301 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.879 1.413 9.711 1.00 0.82 H new ATOM 676 N PHE A 382 4.287 -0.107 9.190 1.00 0.09 N ATOM 677 CA PHE A 382 3.656 -1.391 8.998 1.00 0.09 C ATOM 678 C PHE A 382 4.712 -2.331 8.405 1.00 0.09 C ATOM 679 O PHE A 382 5.878 -1.950 8.315 1.00 0.10 O ATOM 680 CB PHE A 382 2.396 -1.294 8.121 1.00 0.10 C ATOM 681 CG PHE A 382 1.541 -0.069 8.371 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.243 0.335 9.669 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.029 0.678 7.316 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.459 1.442 9.897 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.238 1.786 7.550 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.009 2.196 8.820 1.00 0.18 C ATOM 0 H PHE A 382 4.619 0.328 8.330 1.00 0.09 H new ATOM 0 HA PHE A 382 3.301 -1.784 9.951 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.698 -1.301 7.074 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.788 -2.184 8.284 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.631 -0.226 10.506 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.253 0.388 6.300 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.206 1.727 10.908 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.186 2.329 6.718 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.567 3.104 8.997 1.00 0.18 H new ATOM 696 N TYR A 383 4.369 -3.546 8.022 1.00 0.11 N ATOM 697 CA TYR A 383 5.415 -4.490 7.632 1.00 0.11 C ATOM 698 C TYR A 383 5.040 -5.339 6.420 1.00 0.11 C ATOM 699 O TYR A 383 4.023 -6.025 6.427 1.00 0.13 O ATOM 700 CB TYR A 383 5.678 -5.394 8.826 1.00 0.13 C ATOM 701 CG TYR A 383 7.128 -5.744 9.009 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.065 -4.753 9.265 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.558 -7.059 8.939 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.395 -5.063 9.450 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.885 -7.384 9.119 1.00 0.49 C ATOM 706 CZ TYR A 383 9.802 -6.380 9.378 1.00 0.50 C ATOM 707 OH TYR A 383 11.130 -6.695 9.565 1.00 0.65 O ATOM 0 H TYR A 383 3.414 -3.900 7.971 1.00 0.11 H new ATOM 0 HA TYR A 383 6.300 -3.923 7.342 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.315 -4.904 9.729 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.103 -6.313 8.709 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.747 -3.722 9.320 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.842 -7.842 8.740 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.113 -4.282 9.650 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.207 -8.413 9.059 1.00 0.49 H new ATOM 0 HH TYR A 383 11.594 -6.680 8.702 1.00 0.65 H new ATOM 717 N VAL A 384 5.874 -5.285 5.374 1.00 0.09 N ATOM 718 CA VAL A 384 5.741 -6.217 4.260 1.00 0.09 C ATOM 719 C VAL A 384 6.584 -7.431 4.525 1.00 0.13 C ATOM 720 O VAL A 384 7.773 -7.509 4.203 1.00 0.16 O ATOM 721 CB VAL A 384 6.087 -5.645 2.872 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.377 -4.874 2.907 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.159 -6.763 1.820 1.00 0.08 C ATOM 0 H VAL A 384 6.636 -4.614 5.280 1.00 0.09 H new ATOM 0 HA VAL A 384 4.680 -6.461 4.212 1.00 0.09 H new ATOM 0 HB VAL A 384 5.289 -4.958 2.591 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.594 -4.483 1.913 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.287 -4.047 3.611 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.186 -5.533 3.222 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.405 -6.333 0.849 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.928 -7.481 2.104 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.195 -7.269 1.760 1.00 0.08 H new ATOM 733 N TRP A 385 5.943 -8.380 5.120 1.00 0.18 N ATOM 734 CA TRP A 385 6.564 -9.638 5.402 1.00 0.23 C ATOM 735 C TRP A 385 6.231 -10.598 4.274 1.00 0.12 C ATOM 736 O TRP A 385 6.443 -11.808 4.365 1.00 0.21 O ATOM 737 CB TRP A 385 6.174 -10.157 6.793 1.00 0.48 C ATOM 738 CG TRP A 385 4.694 -10.193 7.038 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.865 -9.122 7.267 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.864 -11.355 7.101 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.581 -9.555 7.450 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.554 -10.916 7.357 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.099 -12.726 6.959 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.486 -11.791 7.477 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.033 -13.596 7.081 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.741 -13.125 7.337 1.00 2.55 C ATOM 0 H TRP A 385 4.973 -8.309 5.426 1.00 0.18 H new ATOM 0 HA TRP A 385 7.648 -9.529 5.442 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.578 -11.161 6.921 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.642 -9.527 7.549 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.181 -8.090 7.298 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.774 -8.957 7.627 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.093 -13.097 6.758 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.487 -11.430 7.674 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.200 -14.658 6.977 1.00 2.11 H new ATOM 0 HH2 TRP A 385 0.929 -13.831 7.426 1.00 2.55 H new ATOM 757 N ASN A 386 5.695 -10.005 3.199 1.00 0.10 N ATOM 758 CA ASN A 386 5.458 -10.701 1.941 1.00 0.14 C ATOM 759 C ASN A 386 5.097 -9.697 0.847 1.00 0.11 C ATOM 760 O ASN A 386 4.209 -8.878 1.005 1.00 0.12 O ATOM 761 CB ASN A 386 4.323 -11.711 2.114 1.00 0.27 C ATOM 762 CG ASN A 386 4.042 -12.513 0.854 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.658 -13.551 0.618 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.102 -12.049 0.045 1.00 0.31 N ATOM 0 H ASN A 386 5.415 -9.024 3.184 1.00 0.10 H new ATOM 0 HA ASN A 386 6.366 -11.229 1.651 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.574 -12.395 2.925 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.417 -11.183 2.411 1.00 0.27 H new ATOM 0 HD21 ASN A 386 2.867 -12.557 -0.808 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.613 -11.184 0.275 1.00 0.31 H new ATOM 771 N LYS A 387 5.834 -9.769 -0.244 1.00 0.11 N ATOM 772 CA LYS A 387 5.530 -9.047 -1.484 1.00 0.09 C ATOM 773 C LYS A 387 4.874 -9.996 -2.475 1.00 0.08 C ATOM 774 O LYS A 387 5.227 -11.175 -2.532 1.00 0.13 O ATOM 775 CB LYS A 387 6.813 -8.451 -2.093 1.00 0.13 C ATOM 776 CG LYS A 387 8.104 -8.895 -1.425 1.00 0.38 C ATOM 777 CD LYS A 387 8.359 -10.359 -1.670 1.00 0.20 C ATOM 778 CE LYS A 387 8.912 -10.610 -3.051 1.00 0.40 C ATOM 779 NZ LYS A 387 9.341 -12.019 -3.242 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.678 -10.339 -0.304 1.00 0.11 H new ATOM 0 HA LYS A 387 4.847 -8.229 -1.258 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.856 -8.720 -3.148 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.750 -7.364 -2.043 1.00 0.13 H new ATOM 0 HG2 LYS A 387 8.938 -8.307 -1.809 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.047 -8.706 -0.353 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.060 -10.735 -0.924 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.430 -10.915 -1.544 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.154 -10.360 -3.794 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.760 -9.948 -3.226 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 9.713 -12.141 -4.205 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.083 -12.252 -2.552 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.527 -12.652 -3.103 1.00 1.12 H new ATOM 793 N GLU A 388 3.931 -9.476 -3.253 1.00 0.09 N ATOM 794 CA GLU A 388 3.057 -10.312 -4.071 1.00 0.10 C ATOM 795 C GLU A 388 3.000 -9.933 -5.534 1.00 0.10 C ATOM 796 O GLU A 388 3.292 -8.808 -5.923 1.00 0.10 O ATOM 797 CB GLU A 388 1.655 -10.218 -3.525 1.00 0.09 C ATOM 798 CG GLU A 388 1.356 -11.239 -2.512 1.00 0.15 C ATOM 799 CD GLU A 388 1.493 -12.649 -3.037 1.00 0.38 C ATOM 800 OE1 GLU A 388 1.110 -12.891 -4.200 1.00 0.69 O ATOM 801 OE2 GLU A 388 1.961 -13.529 -2.282 1.00 0.71 O1- ATOM 0 H GLU A 388 3.751 -8.475 -3.335 1.00 0.09 H new ATOM 0 HA GLU A 388 3.476 -11.317 -4.020 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.508 -9.230 -3.089 1.00 0.09 H new ATOM 0 HB3 GLU A 388 0.945 -10.313 -4.347 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.026 -11.107 -1.662 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.341 -11.091 -2.144 1.00 0.15 H new ATOM 808 N GLU A 389 2.565 -10.913 -6.306 1.00 0.10 N ATOM 809 CA GLU A 389 2.316 -10.798 -7.720 1.00 0.11 C ATOM 810 C GLU A 389 1.046 -11.541 -8.046 1.00 0.16 C ATOM 811 O GLU A 389 0.901 -12.713 -7.689 1.00 0.28 O ATOM 812 CB GLU A 389 3.437 -11.404 -8.534 1.00 0.14 C ATOM 813 CG GLU A 389 4.677 -10.566 -8.576 1.00 0.16 C ATOM 814 CD GLU A 389 5.794 -11.226 -9.359 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.166 -12.371 -9.025 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.296 -10.616 -10.326 1.00 0.38 O ATOM 0 H GLU A 389 2.370 -11.846 -5.944 1.00 0.10 H new ATOM 0 HA GLU A 389 2.238 -9.739 -7.967 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.685 -12.382 -8.122 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.086 -11.567 -9.553 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.444 -9.600 -9.024 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.016 -10.372 -7.558 1.00 0.16 H new ATOM 823 N ASP A 390 0.139 -10.855 -8.717 1.00 0.12 N ATOM 824 CA ASP A 390 -1.148 -11.428 -9.089 1.00 0.15 C ATOM 825 C ASP A 390 -1.834 -11.962 -7.825 1.00 0.16 C ATOM 826 O ASP A 390 -2.332 -13.085 -7.740 1.00 0.25 O ATOM 827 CB ASP A 390 -0.898 -12.483 -10.160 1.00 0.19 C ATOM 828 CG ASP A 390 -2.137 -13.246 -10.585 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.003 -12.649 -11.259 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.259 -14.442 -10.235 1.00 0.36 O1- ATOM 0 H ASP A 390 0.269 -9.890 -9.020 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.830 -10.693 -9.517 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.465 -11.999 -11.036 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.158 -13.192 -9.789 1.00 0.19 H new ATOM 835 N ALA A 391 -1.781 -11.091 -6.828 1.00 0.12 N ATOM 836 CA ALA A 391 -2.349 -11.296 -5.511 1.00 0.11 C ATOM 837 C ALA A 391 -3.825 -11.005 -5.544 1.00 0.10 C ATOM 838 O ALA A 391 -4.321 -10.457 -6.511 1.00 0.11 O ATOM 839 CB ALA A 391 -1.691 -10.330 -4.565 1.00 0.10 C ATOM 0 H ALA A 391 -1.321 -10.186 -6.922 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.190 -12.326 -5.193 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.102 -10.464 -3.564 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.617 -10.515 -4.544 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.877 -9.309 -4.900 1.00 0.10 H new ATOM 845 N THR A 392 -4.532 -11.369 -4.510 1.00 0.11 N ATOM 846 CA THR A 392 -5.906 -10.946 -4.395 1.00 0.11 C ATOM 847 C THR A 392 -6.213 -10.400 -3.023 1.00 0.11 C ATOM 848 O THR A 392 -6.128 -11.094 -2.011 1.00 0.14 O ATOM 849 CB THR A 392 -6.899 -12.058 -4.750 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.512 -12.688 -5.977 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.294 -11.477 -4.892 1.00 0.15 C ATOM 0 H THR A 392 -4.189 -11.949 -3.744 1.00 0.11 H new ATOM 0 HA THR A 392 -6.029 -10.145 -5.124 1.00 0.11 H new ATOM 0 HB THR A 392 -6.898 -12.801 -3.952 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.151 -13.398 -6.196 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.995 -12.272 -5.144 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.593 -11.014 -3.951 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.297 -10.726 -5.682 1.00 0.15 H new ATOM 859 N LEU A 393 -6.587 -9.148 -3.021 1.00 0.10 N ATOM 860 CA LEU A 393 -6.914 -8.428 -1.806 1.00 0.12 C ATOM 861 C LEU A 393 -8.277 -8.782 -1.296 1.00 0.15 C ATOM 862 O LEU A 393 -9.281 -8.148 -1.611 1.00 0.16 O ATOM 863 CB LEU A 393 -6.828 -6.954 -2.087 1.00 0.11 C ATOM 864 CG LEU A 393 -5.450 -6.329 -1.999 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.423 -7.271 -2.556 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.430 -5.054 -2.794 1.00 0.51 C ATOM 0 H LEU A 393 -6.676 -8.588 -3.869 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.203 -8.709 -1.030 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.221 -6.774 -3.087 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.484 -6.434 -1.388 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.219 -6.120 -0.954 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.436 -6.814 -2.489 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.433 -8.199 -1.985 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.654 -7.485 -3.600 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.440 -4.602 -2.732 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.666 -5.271 -3.836 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.170 -4.362 -2.391 1.00 0.51 H new ATOM 878 N LYS A 394 -8.279 -9.805 -0.518 1.00 0.18 N ATOM 879 CA LYS A 394 -9.461 -10.297 0.125 1.00 0.23 C ATOM 880 C LYS A 394 -9.563 -9.901 1.565 1.00 0.29 C ATOM 881 O LYS A 394 -8.695 -9.213 2.115 1.00 0.29 O ATOM 882 CB LYS A 394 -9.396 -11.760 0.005 1.00 0.25 C ATOM 883 CG LYS A 394 -9.404 -12.141 -1.402 1.00 0.23 C ATOM 884 CD LYS A 394 -9.863 -13.500 -1.518 1.00 0.27 C ATOM 885 CE LYS A 394 -9.269 -14.013 -2.756 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.565 -15.444 -3.020 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.440 -10.343 -0.300 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.344 -9.870 -0.351 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.493 -12.134 0.487 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.243 -12.214 0.519 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.054 -11.475 -1.969 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.404 -12.044 -1.824 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.551 -14.094 -0.659 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -10.951 -13.544 -1.558 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.630 -13.417 -3.594 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.188 -13.878 -2.711 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.112 -15.734 -3.910 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.197 -16.024 -2.240 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.594 -15.578 -3.095 1.00 0.33 H new ATOM 1015 N GLU A 404 -12.952 -9.063 -2.459 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.728 -9.402 -3.146 1.00 0.21 C ATOM 1017 C GLU A 404 -11.297 -8.278 -4.065 1.00 0.20 C ATOM 1018 O GLU A 404 -12.124 -7.528 -4.587 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.907 -10.661 -3.975 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.011 -11.923 -3.148 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.334 -12.637 -3.314 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.473 -13.434 -4.264 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.246 -12.394 -2.503 1.00 0.53 O ATOM 0 HA GLU A 404 -10.964 -9.568 -2.386 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.806 -10.560 -4.583 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.066 -10.756 -4.662 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.203 -12.600 -3.426 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -11.870 -11.673 -2.096 1.00 0.24 H new ATOM 1030 N SER A 405 -9.996 -8.141 -4.226 1.00 0.16 N ATOM 1031 CA SER A 405 -9.445 -7.251 -5.214 1.00 0.15 C ATOM 1032 C SER A 405 -8.187 -7.865 -5.754 1.00 0.13 C ATOM 1033 O SER A 405 -7.122 -7.748 -5.152 1.00 0.11 O ATOM 1034 CB SER A 405 -9.089 -5.905 -4.608 1.00 0.15 C ATOM 1035 OG SER A 405 -9.848 -5.644 -3.437 1.00 0.19 O ATOM 0 H SER A 405 -9.299 -8.643 -3.676 1.00 0.16 H new ATOM 0 HA SER A 405 -10.189 -7.099 -5.996 1.00 0.15 H new ATOM 0 HB2 SER A 405 -8.026 -5.883 -4.366 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.265 -5.117 -5.340 1.00 0.15 H new ATOM 0 HG SER A 405 -9.594 -4.771 -3.070 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.284 -8.526 -6.891 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.153 -9.180 -7.490 1.00 0.14 C ATOM 1043 C PRO A 406 -6.163 -8.159 -7.969 1.00 0.13 C ATOM 1044 O PRO A 406 -6.393 -7.426 -8.933 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.756 -10.010 -8.620 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.205 -10.037 -8.304 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.488 -8.720 -7.674 1.00 0.18 C ATOM 0 HA PRO A 406 -6.594 -9.814 -6.802 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.567 -9.558 -9.594 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.334 -11.015 -8.648 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.802 -10.180 -9.204 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.446 -10.857 -7.628 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.631 -7.931 -8.413 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.384 -8.743 -7.054 1.00 0.18 H new ATOM 1055 N VAL A 407 -5.059 -8.146 -7.278 1.00 0.10 N ATOM 1056 CA VAL A 407 -4.089 -7.114 -7.366 1.00 0.09 C ATOM 1057 C VAL A 407 -2.846 -7.679 -8.020 1.00 0.11 C ATOM 1058 O VAL A 407 -2.591 -8.870 -7.970 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.836 -6.618 -5.929 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.569 -7.130 -5.321 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.994 -5.130 -5.778 1.00 0.08 C ATOM 0 H VAL A 407 -4.809 -8.883 -6.618 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.416 -6.271 -7.975 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.635 -7.068 -5.340 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.465 -6.735 -4.310 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.597 -8.219 -5.284 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.720 -6.809 -5.925 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.802 -4.847 -4.743 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.285 -4.621 -6.431 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -5.009 -4.842 -6.051 1.00 0.08 H new ATOM 1071 N ASN A 408 -2.097 -6.833 -8.671 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.947 -7.285 -9.432 1.00 0.12 C ATOM 1073 C ASN A 408 0.221 -7.509 -8.507 1.00 0.10 C ATOM 1074 O ASN A 408 1.110 -8.303 -8.803 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.604 -6.242 -10.493 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.659 -6.119 -11.585 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.357 -5.736 -12.714 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.902 -6.452 -11.260 1.00 0.38 N ATOM 0 H ASN A 408 -2.255 -5.826 -8.695 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.178 -8.228 -9.927 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.476 -5.273 -10.011 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.352 -6.500 -10.949 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.644 -6.394 -11.957 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -3.115 -6.766 -10.313 1.00 0.38 H new ATOM 1085 N TYR A 409 0.183 -6.843 -7.365 1.00 0.08 N ATOM 1086 CA TYR A 409 1.315 -6.794 -6.446 1.00 0.06 C ATOM 1087 C TYR A 409 0.790 -6.369 -5.096 1.00 0.06 C ATOM 1088 O TYR A 409 0.047 -5.395 -5.000 1.00 0.06 O ATOM 1089 CB TYR A 409 2.432 -5.835 -6.908 1.00 0.06 C ATOM 1090 CG TYR A 409 3.070 -6.227 -8.223 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.545 -5.786 -9.428 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.224 -6.998 -8.255 1.00 0.11 C ATOM 1093 CE1 TYR A 409 3.147 -6.108 -10.625 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.839 -7.315 -9.445 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.185 -7.022 -10.638 1.00 0.17 C ATOM 1096 OH TYR A 409 4.899 -7.181 -11.826 1.00 0.27 O ATOM 0 H TYR A 409 -0.632 -6.320 -7.046 1.00 0.08 H new ATOM 0 HA TYR A 409 1.770 -7.784 -6.406 1.00 0.06 H new ATOM 0 HB2 TYR A 409 2.020 -4.830 -7.000 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.203 -5.794 -6.139 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.650 -5.181 -9.429 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.647 -7.356 -7.328 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.811 -5.651 -11.544 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.812 -7.783 -9.453 1.00 0.17 H new ATOM 0 HH TYR A 409 5.601 -7.852 -11.698 1.00 0.27 H new ATOM 1106 N TRP A 410 1.180 -7.083 -4.070 1.00 0.06 N ATOM 1107 CA TRP A 410 0.534 -6.976 -2.781 1.00 0.06 C ATOM 1108 C TRP A 410 1.514 -7.176 -1.656 1.00 0.06 C ATOM 1109 O TRP A 410 2.322 -8.090 -1.660 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.557 -8.027 -2.740 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.212 -8.237 -1.435 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.399 -9.421 -0.854 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.777 -7.258 -0.582 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.088 -9.263 0.327 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.328 -7.917 0.520 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.865 -5.891 -0.666 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.978 -7.215 1.549 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.491 -5.191 0.327 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.050 -5.846 1.431 1.00 0.07 C ATOM 0 H TRP A 410 1.949 -7.752 -4.101 1.00 0.06 H new ATOM 0 HA TRP A 410 0.115 -5.978 -2.651 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.322 -7.755 -3.467 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.131 -8.976 -3.066 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -1.060 -10.366 -1.251 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.374 -10.015 0.955 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.442 -5.371 -1.513 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.404 -7.729 2.398 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.556 -4.115 0.259 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.544 -5.270 2.199 1.00 0.07 H new ATOM 1130 N MET A 411 1.463 -6.286 -0.708 1.00 0.08 N ATOM 1131 CA MET A 411 2.220 -6.448 0.496 1.00 0.09 C ATOM 1132 C MET A 411 1.237 -6.625 1.640 1.00 0.12 C ATOM 1133 O MET A 411 0.734 -5.633 2.171 1.00 0.14 O ATOM 1134 CB MET A 411 3.099 -5.227 0.746 1.00 0.10 C ATOM 1135 CG MET A 411 3.862 -4.723 -0.469 1.00 0.09 C ATOM 1136 SD MET A 411 4.996 -5.940 -1.149 1.00 0.06 S ATOM 1137 CE MET A 411 5.933 -4.937 -2.297 1.00 0.06 C ATOM 0 H MET A 411 0.901 -5.436 -0.748 1.00 0.08 H new ATOM 0 HA MET A 411 2.873 -7.316 0.413 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.473 -4.419 1.124 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.815 -5.469 1.531 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.150 -4.429 -1.240 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.421 -3.829 -0.193 1.00 0.09 H new ATOM 0 HE1 MET A 411 6.991 -5.187 -2.219 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.588 -5.129 -3.313 1.00 0.06 H new ATOM 0 HE3 MET A 411 5.791 -3.883 -2.059 1.00 0.06 H new ATOM 1147 N PRO A 412 0.894 -7.880 1.992 1.00 0.13 N ATOM 1148 CA PRO A 412 -0.032 -8.160 3.084 1.00 0.19 C ATOM 1149 C PRO A 412 0.549 -7.763 4.423 1.00 0.25 C ATOM 1150 O PRO A 412 0.998 -8.606 5.202 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.262 -9.670 3.016 1.00 0.24 C ATOM 1152 CG PRO A 412 0.927 -10.199 2.295 1.00 0.23 C ATOM 1153 CD PRO A 412 1.364 -9.114 1.347 1.00 0.16 C ATOM 0 HA PRO A 412 -0.957 -7.592 2.986 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.346 -10.103 4.013 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.185 -9.907 2.486 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.725 -10.450 2.993 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.679 -11.112 1.753 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.446 -9.110 1.214 1.00 0.16 H new ATOM 0 HD3 PRO A 412 0.922 -9.243 0.359 1.00 0.16 H new ATOM 1237 N VAL A 418 -3.831 -2.103 7.417 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.399 -1.565 6.125 1.00 0.26 C ATOM 1239 C VAL A 418 -2.784 -2.644 5.223 1.00 0.24 C ATOM 1240 O VAL A 418 -2.597 -3.787 5.634 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.369 -0.438 6.367 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -1.963 0.285 5.082 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -2.929 0.551 7.361 1.00 0.75 C ATOM 0 HA VAL A 418 -4.278 -1.176 5.611 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.467 -0.904 6.763 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.238 1.065 5.317 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.517 -0.428 4.389 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.844 0.734 4.623 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.203 1.346 7.532 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -3.851 0.980 6.968 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.138 0.042 8.302 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.497 -2.268 3.984 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.738 -3.105 3.092 1.00 0.18 C ATOM 1255 C GLY A 419 -1.483 -2.396 1.797 1.00 0.14 C ATOM 1256 O GLY A 419 -2.409 -2.021 1.091 1.00 0.15 O ATOM 0 H GLY A 419 -2.786 -1.377 3.580 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.791 -3.377 3.557 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.279 -4.032 2.905 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.227 -2.207 1.486 1.00 0.10 N ATOM 1261 CA ILE A 420 0.147 -1.507 0.284 1.00 0.08 C ATOM 1262 C ILE A 420 0.093 -2.454 -0.910 1.00 0.08 C ATOM 1263 O ILE A 420 0.431 -3.634 -0.787 1.00 0.09 O ATOM 1264 CB ILE A 420 1.577 -0.949 0.401 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.633 0.320 1.258 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.144 -0.683 -0.973 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.807 0.059 2.735 1.00 0.29 C ATOM 0 H ILE A 420 0.558 -2.530 2.051 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.554 -0.684 0.143 1.00 0.08 H new ATOM 0 HB ILE A 420 2.184 -1.703 0.902 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.456 0.944 0.911 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.716 0.889 1.106 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.156 -0.289 -0.879 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.168 -1.612 -1.543 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.518 0.044 -1.491 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.837 1.008 3.271 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.971 -0.538 3.100 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.739 -0.482 2.902 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.332 -1.940 -2.064 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.548 -2.796 -3.218 1.00 0.06 C ATOM 1281 C HIS A 421 -0.549 -2.027 -4.530 1.00 0.07 C ATOM 1282 O HIS A 421 -0.812 -0.832 -4.542 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.880 -3.496 -3.054 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.060 -2.585 -3.003 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.598 -1.923 -4.085 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.806 -2.243 -1.939 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.640 -1.209 -3.646 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.813 -1.369 -2.346 1.00 0.08 N ATOM 0 H HIS A 421 -0.529 -0.951 -2.219 1.00 0.07 H new ATOM 0 HA HIS A 421 0.276 -3.508 -3.263 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -2.012 -4.194 -3.880 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.854 -4.087 -2.138 1.00 0.06 H new ATOM 0 HD2 HIS A 421 -3.650 -2.590 -0.928 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.259 -0.584 -4.272 1.00 0.09 H new ATOM 0 HE2 HIS A 421 -5.533 -0.942 -1.762 1.00 0.08 H new ATOM 1296 N ASP A 422 -0.311 -2.727 -5.636 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.445 -2.110 -6.950 1.00 0.07 C ATOM 1298 C ASP A 422 -1.872 -2.283 -7.449 1.00 0.11 C ATOM 1299 O ASP A 422 -2.418 -3.381 -7.440 1.00 0.20 O ATOM 1300 CB ASP A 422 0.541 -2.672 -7.975 1.00 0.09 C ATOM 1301 CG ASP A 422 1.654 -1.718 -8.262 1.00 0.65 C ATOM 1302 OD1 ASP A 422 1.637 -0.612 -7.698 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 2.571 -2.082 -9.023 1.00 0.80 O ATOM 0 H ASP A 422 -0.029 -3.707 -5.649 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.210 -1.052 -6.837 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.954 -3.610 -7.604 1.00 0.09 H new ATOM 0 HB3 ASP A 422 0.012 -2.900 -8.900 1.00 0.09 H new ATOM 1308 N SER A 423 -2.449 -1.200 -7.923 1.00 0.09 N ATOM 1309 CA SER A 423 -3.888 -1.106 -8.120 1.00 0.11 C ATOM 1310 C SER A 423 -4.178 -0.836 -9.569 1.00 0.14 C ATOM 1311 O SER A 423 -4.170 0.301 -10.025 1.00 0.17 O ATOM 1312 CB SER A 423 -4.468 0.009 -7.234 1.00 0.14 C ATOM 1313 OG SER A 423 -5.870 0.043 -7.315 1.00 0.23 O ATOM 0 H SER A 423 -1.938 -0.357 -8.184 1.00 0.09 H new ATOM 0 HA SER A 423 -4.357 -2.048 -7.836 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.164 -0.150 -6.199 1.00 0.14 H new ATOM 0 HB3 SER A 423 -4.060 0.972 -7.542 1.00 0.14 H new ATOM 0 HG SER A 423 -6.214 0.759 -6.741 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.482 -1.902 -10.274 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.640 -1.844 -11.708 1.00 0.21 C ATOM 1321 C ASP A 424 -6.041 -1.379 -12.057 1.00 0.24 C ATOM 1322 O ASP A 424 -6.322 -0.927 -13.166 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.335 -3.218 -12.289 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.716 -3.366 -13.746 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.905 -2.996 -14.618 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.843 -3.820 -14.025 1.00 0.37 O ATOM 0 H ASP A 424 -4.626 -2.828 -9.872 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.945 -1.124 -12.140 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.269 -3.419 -12.180 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.863 -3.973 -11.707 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.819 6.512 -11.014 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.416 7.729 -10.366 1.00 0.22 C ATOM 1388 C GLU A 428 -5.439 7.517 -9.237 1.00 0.21 C ATOM 1389 O GLU A 428 -5.451 6.500 -8.539 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.604 8.426 -9.765 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.413 7.521 -8.881 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.508 6.779 -9.619 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.933 7.251 -10.693 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.938 5.714 -9.136 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.940 8.318 -11.150 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.263 9.285 -9.186 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -8.238 8.811 -10.564 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.748 6.797 -8.409 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.860 8.112 -8.081 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.623 8.540 -9.074 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.708 8.704 -7.965 1.00 0.14 C ATOM 1403 C TYR A 429 -3.339 10.157 -7.962 1.00 0.17 C ATOM 1404 O TYR A 429 -3.010 10.732 -9.002 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.412 7.882 -8.004 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.559 6.497 -8.562 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.775 6.295 -9.912 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.457 5.388 -7.735 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.884 5.023 -10.426 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.570 4.117 -8.238 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.881 3.954 -9.595 1.00 0.25 C ATOM 1412 OH TYR A 429 -2.898 2.670 -10.079 1.00 0.33 O ATOM 0 H TYR A 429 -4.579 9.311 -9.740 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.224 8.343 -7.075 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.675 8.421 -8.599 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -2.014 7.810 -6.992 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.859 7.146 -10.572 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.286 5.528 -6.678 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -2.972 4.877 -11.493 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.422 3.258 -7.600 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.663 2.188 -9.702 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.440 10.754 -6.833 1.00 0.15 N ATOM 1423 CA GLY A 430 -3.133 12.155 -6.736 1.00 0.17 C ATOM 1424 C GLY A 430 -3.579 12.703 -5.433 1.00 0.17 C ATOM 1425 O GLY A 430 -3.690 11.950 -4.466 1.00 0.16 O ATOM 0 H GLY A 430 -3.730 10.310 -5.962 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -2.060 12.305 -6.850 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.619 12.695 -7.548 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.772 14.013 -5.384 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.454 14.606 -4.260 1.00 0.21 C ATOM 1431 C GLY A 431 -5.687 13.834 -3.894 1.00 0.19 C ATOM 1432 O GLY A 431 -6.136 12.951 -4.631 1.00 0.18 O ATOM 0 H GLY A 431 -3.468 14.671 -6.102 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.780 14.645 -3.404 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.725 15.634 -4.499 1.00 0.21 H new ATOM 1436 N ASP A 432 -6.289 14.251 -2.822 1.00 0.21 N ATOM 1437 CA ASP A 432 -7.091 13.372 -2.019 1.00 0.21 C ATOM 1438 C ASP A 432 -8.144 12.604 -2.812 1.00 0.18 C ATOM 1439 O ASP A 432 -9.199 13.100 -3.189 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.733 14.209 -0.928 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.583 15.359 -1.444 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -8.020 16.450 -1.689 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.812 15.197 -1.572 1.00 1.85 O1- ATOM 0 H ASP A 432 -6.240 15.210 -2.477 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.444 12.602 -1.599 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.354 13.563 -0.308 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.950 14.611 -0.285 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.781 11.350 -3.057 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.674 10.346 -3.597 1.00 0.13 C ATOM 1450 C LEU A 433 -9.252 9.533 -2.460 1.00 0.12 C ATOM 1451 O LEU A 433 -10.380 9.099 -2.497 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.939 9.388 -4.546 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.831 9.739 -6.006 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.342 11.104 -6.316 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.434 9.556 -6.461 1.00 1.08 C ATOM 0 H LEU A 433 -6.839 11.002 -2.881 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.457 10.860 -4.154 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.926 9.260 -4.164 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.430 8.417 -4.477 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.476 9.057 -6.560 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -8.237 11.298 -7.383 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.393 11.171 -6.037 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.770 11.843 -5.755 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.359 9.811 -7.518 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.775 10.205 -5.884 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -6.137 8.517 -6.316 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.425 9.317 -1.450 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.737 8.398 -0.358 1.00 0.10 C ATOM 1469 C TRP A 434 -10.058 8.726 0.308 1.00 0.11 C ATOM 1470 O TRP A 434 -10.716 7.857 0.860 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.593 8.407 0.661 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.383 9.731 1.284 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.566 10.723 0.839 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.011 10.207 2.467 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.713 11.829 1.646 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.579 11.520 2.663 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.918 9.650 3.372 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -8.028 12.287 3.729 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.355 10.410 4.422 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.916 11.717 4.593 1.00 0.16 C ATOM 0 H TRP A 434 -7.517 9.772 -1.360 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.841 7.397 -0.778 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.803 7.674 1.440 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.673 8.094 0.168 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.906 10.654 -0.013 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.254 12.729 1.510 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.268 8.636 3.245 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.686 13.302 3.870 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.053 9.987 5.130 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.286 12.294 5.428 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.430 9.996 0.264 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.643 10.445 0.900 1.00 0.14 C ATOM 1493 C LYS A 435 -12.832 10.398 -0.031 1.00 0.17 C ATOM 1494 O LYS A 435 -13.945 10.076 0.370 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.437 11.862 1.405 1.00 0.15 C ATOM 1496 CG LYS A 435 -10.143 12.445 0.919 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.872 13.795 1.496 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.479 13.960 2.864 1.00 0.18 C ATOM 1499 NZ LYS A 435 -10.186 15.287 3.469 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.903 10.730 -0.209 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.860 9.770 1.728 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.265 12.489 1.075 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.450 11.865 2.495 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.325 11.772 1.177 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -10.166 12.516 -0.168 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.795 13.953 1.556 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -10.270 14.560 0.829 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.559 13.828 2.796 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -10.103 13.176 3.520 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.628 15.345 4.409 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -9.157 15.407 3.562 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.568 16.038 2.860 1.00 0.22 H new ATOM 1513 N THR A 436 -12.581 10.738 -1.264 1.00 0.16 N ATOM 1514 CA THR A 436 -13.631 10.839 -2.261 1.00 0.19 C ATOM 1515 C THR A 436 -13.881 9.486 -2.908 1.00 0.19 C ATOM 1516 O THR A 436 -15.021 9.058 -3.092 1.00 0.22 O ATOM 1517 CB THR A 436 -13.218 11.878 -3.317 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.382 11.288 -4.317 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.439 12.974 -2.637 1.00 0.21 C ATOM 0 H THR A 436 -11.648 10.954 -1.614 1.00 0.16 H new ATOM 0 HA THR A 436 -14.558 11.157 -1.784 1.00 0.19 H new ATOM 0 HB THR A 436 -14.118 12.268 -3.792 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.134 11.967 -4.978 1.00 0.25 H new ATOM 0 HG21 THR A 436 -12.139 13.719 -3.374 1.00 0.21 H new ATOM 0 HG22 THR A 436 -13.062 13.446 -1.877 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.551 12.551 -2.167 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.789 8.818 -3.216 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.807 7.514 -3.844 1.00 0.20 C ATOM 1529 C ARG A 437 -12.792 6.447 -2.765 1.00 0.20 C ATOM 1530 O ARG A 437 -13.137 5.295 -3.019 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.572 7.414 -4.732 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.201 8.722 -5.311 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.566 8.559 -6.647 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.554 8.354 -7.700 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.755 9.188 -8.723 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -11.083 10.330 -8.807 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.645 8.882 -9.657 1.00 1.47 N ATOM 0 H ARG A 437 -11.850 9.171 -3.034 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.703 7.372 -4.449 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.737 7.025 -4.150 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.759 6.702 -5.535 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -12.089 9.348 -5.402 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.515 9.238 -4.640 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.971 9.443 -6.876 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.881 7.711 -6.622 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.132 7.515 -7.652 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.406 10.577 -8.086 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -11.244 10.960 -9.593 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.173 8.012 -9.592 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.801 9.517 -10.440 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.384 6.854 -1.565 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.703 6.112 -0.361 1.00 0.18 C ATOM 1553 C GLY A 438 -12.342 4.643 -0.394 1.00 0.21 C ATOM 1554 O GLY A 438 -13.193 3.806 -0.094 1.00 0.24 O ATOM 0 H GLY A 438 -11.831 7.696 -1.407 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.189 6.577 0.480 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.772 6.203 -0.170 1.00 0.18 H new ATOM 1558 N SER A 439 -11.124 4.289 -0.767 1.00 0.22 N ATOM 1559 CA SER A 439 -10.824 2.879 -0.926 1.00 0.27 C ATOM 1560 C SER A 439 -10.471 2.230 0.409 1.00 0.27 C ATOM 1561 O SER A 439 -9.414 2.501 0.976 1.00 0.27 O ATOM 1562 CB SER A 439 -9.673 2.692 -1.899 1.00 0.31 C ATOM 1563 OG SER A 439 -9.851 3.475 -3.068 1.00 1.01 O ATOM 0 H SER A 439 -10.355 4.931 -0.959 1.00 0.22 H new ATOM 0 HA SER A 439 -11.718 2.395 -1.319 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.736 2.967 -1.414 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.593 1.640 -2.173 1.00 0.31 H new ATOM 0 HG SER A 439 -8.979 3.658 -3.475 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.371 1.349 0.863 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.228 0.582 2.110 1.00 0.32 C ATOM 1571 C HIS A 440 -10.411 1.304 3.187 1.00 0.28 C ATOM 1572 O HIS A 440 -10.874 2.274 3.791 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.606 -0.789 1.851 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.442 -1.743 1.062 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.700 -2.137 1.451 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -11.170 -2.420 -0.080 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -13.166 -3.017 0.588 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.261 -3.203 -0.355 1.00 0.48 N ATOM 0 H HIS A 440 -12.237 1.144 0.365 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.244 0.467 2.489 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.661 -0.645 1.328 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.372 -1.248 2.811 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.264 -2.355 -0.664 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -14.128 -3.505 0.643 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.358 -3.827 -1.156 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.181 0.830 3.399 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.358 1.344 4.477 1.00 0.22 C ATOM 1589 C GLY A 441 -6.861 1.350 4.180 1.00 0.17 C ATOM 1590 O GLY A 441 -6.079 1.836 5.000 1.00 0.26 O ATOM 0 H GLY A 441 -8.743 0.098 2.840 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -8.675 2.362 4.706 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.536 0.746 5.371 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.438 0.795 3.038 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.021 0.747 2.711 1.00 0.15 C ATOM 1596 C CYS A 442 -4.643 1.727 1.603 1.00 0.13 C ATOM 1597 O CYS A 442 -5.371 2.663 1.307 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.614 -0.661 2.295 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.514 -1.290 0.869 1.00 0.35 S ATOM 0 H CYS A 442 -7.053 0.380 2.338 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.485 1.038 3.614 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.547 -0.669 2.071 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.768 -1.337 3.136 1.00 0.24 H new ATOM 0 HG CYS A 442 -5.099 -2.490 0.589 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.429 1.546 1.078 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.854 2.449 0.085 1.00 0.07 C ATOM 1606 C ILE A 443 -2.943 1.852 -1.303 1.00 0.08 C ATOM 1607 O ILE A 443 -2.552 0.708 -1.531 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.368 2.762 0.396 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.203 3.706 1.593 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.677 3.369 -0.820 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.631 3.147 2.933 1.00 0.11 C ATOM 0 H ILE A 443 -2.819 0.769 1.331 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.431 3.373 0.126 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.902 1.810 0.651 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.155 3.999 1.660 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.775 4.613 1.399 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.365 3.581 -0.579 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.721 2.666 -1.652 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.180 4.295 -1.100 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.472 3.897 3.708 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.688 2.882 2.896 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.042 2.259 3.161 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.431 2.659 -2.222 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.648 2.232 -3.589 1.00 0.08 C ATOM 1625 C ASN A 444 -2.515 2.727 -4.479 1.00 0.07 C ATOM 1626 O ASN A 444 -2.506 3.884 -4.893 1.00 0.11 O ATOM 1627 CB ASN A 444 -4.963 2.793 -4.097 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.157 2.493 -3.208 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.106 3.273 -3.171 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.127 1.383 -2.485 1.00 0.15 N ATOM 0 H ASN A 444 -3.688 3.630 -2.043 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.678 1.143 -3.616 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -4.867 3.874 -4.203 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.156 2.391 -5.092 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.909 1.152 -1.872 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.322 0.759 -2.542 1.00 0.15 H new ATOM 1637 N THR A 445 -1.563 1.860 -4.745 1.00 0.08 N ATOM 1638 CA THR A 445 -0.382 2.199 -5.491 1.00 0.08 C ATOM 1639 C THR A 445 -0.474 1.841 -6.991 1.00 0.08 C ATOM 1640 O THR A 445 -1.071 0.849 -7.377 1.00 0.10 O ATOM 1641 CB THR A 445 0.793 1.495 -4.809 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.612 1.509 -3.384 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.060 2.190 -5.127 1.00 0.06 C ATOM 0 H THR A 445 -1.593 0.886 -4.442 1.00 0.08 H new ATOM 0 HA THR A 445 -0.250 3.281 -5.484 1.00 0.08 H new ATOM 0 HB THR A 445 0.834 0.468 -5.171 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.454 1.760 -2.950 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.888 1.679 -4.636 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.218 2.183 -6.205 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.008 3.220 -4.774 1.00 0.06 H new ATOM 1651 N PRO A 446 0.059 2.738 -7.842 1.00 0.08 N ATOM 1652 CA PRO A 446 0.135 2.586 -9.319 1.00 0.10 C ATOM 1653 C PRO A 446 0.802 1.331 -9.791 1.00 0.14 C ATOM 1654 O PRO A 446 1.947 1.088 -9.474 1.00 0.24 O ATOM 1655 CB PRO A 446 1.030 3.747 -9.721 1.00 0.10 C ATOM 1656 CG PRO A 446 0.821 4.775 -8.685 1.00 0.08 C ATOM 1657 CD PRO A 446 0.603 4.031 -7.410 1.00 0.07 C ATOM 0 HA PRO A 446 -0.869 2.557 -9.742 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.075 3.441 -9.766 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.765 4.124 -10.709 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.685 5.435 -8.609 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.039 5.401 -8.924 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.533 3.907 -6.856 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.091 4.557 -6.754 1.00 0.07 H new ATOM 1665 N PRO A 447 0.117 0.596 -10.678 1.00 0.12 N ATOM 1666 CA PRO A 447 0.452 -0.786 -11.028 1.00 0.12 C ATOM 1667 C PRO A 447 1.857 -0.971 -11.577 1.00 0.14 C ATOM 1668 O PRO A 447 2.306 -2.095 -11.820 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.531 -1.111 -12.122 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.665 -0.206 -11.879 1.00 0.14 C ATOM 1671 CD PRO A 447 -1.035 1.067 -11.457 1.00 0.13 C ATOM 0 HA PRO A 447 0.407 -1.419 -10.142 1.00 0.12 H new ATOM 0 HB2 PRO A 447 -0.096 -0.947 -13.108 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.841 -2.155 -12.080 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.267 -0.073 -12.778 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.327 -0.597 -11.107 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.730 1.673 -12.310 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.711 1.677 -10.857 1.00 0.13 H new ATOM 1679 N SER A 448 2.508 0.145 -11.819 1.00 0.12 N ATOM 1680 CA SER A 448 3.819 0.170 -12.392 1.00 0.11 C ATOM 1681 C SER A 448 4.889 0.209 -11.310 1.00 0.09 C ATOM 1682 O SER A 448 6.064 -0.023 -11.563 1.00 0.09 O ATOM 1683 CB SER A 448 3.930 1.411 -13.257 1.00 0.14 C ATOM 1684 OG SER A 448 3.704 2.588 -12.497 1.00 1.10 O ATOM 0 H SER A 448 2.129 1.070 -11.617 1.00 0.12 H new ATOM 0 HA SER A 448 3.972 -0.733 -12.983 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.920 1.453 -13.712 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.207 1.356 -14.071 1.00 0.14 H new ATOM 0 HG SER A 448 3.783 3.373 -13.078 1.00 1.10 H new ATOM 1690 N VAL A 449 4.478 0.615 -10.119 1.00 0.07 N ATOM 1691 CA VAL A 449 5.418 0.858 -9.036 1.00 0.06 C ATOM 1692 C VAL A 449 5.501 -0.250 -8.013 1.00 0.05 C ATOM 1693 O VAL A 449 6.584 -0.698 -7.693 1.00 0.05 O ATOM 1694 CB VAL A 449 5.117 2.182 -8.362 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.112 3.259 -9.403 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.812 2.119 -7.641 1.00 0.06 C ATOM 0 H VAL A 449 3.501 0.783 -9.878 1.00 0.07 H new ATOM 0 HA VAL A 449 6.401 0.892 -9.506 1.00 0.06 H new ATOM 0 HB VAL A 449 5.884 2.404 -7.620 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.897 4.218 -8.933 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.088 3.303 -9.886 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.348 3.041 -10.149 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.613 3.079 -7.164 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.015 1.895 -8.350 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.853 1.338 -6.882 1.00 0.06 H new ATOM 1706 N MET A 450 4.399 -0.723 -7.495 1.00 0.05 N ATOM 1707 CA MET A 450 4.486 -1.745 -6.465 1.00 0.05 C ATOM 1708 C MET A 450 4.987 -3.039 -7.076 1.00 0.05 C ATOM 1709 O MET A 450 5.216 -4.027 -6.373 1.00 0.06 O ATOM 1710 CB MET A 450 3.164 -1.937 -5.732 1.00 0.07 C ATOM 1711 CG MET A 450 3.123 -1.404 -4.313 1.00 0.06 C ATOM 1712 SD MET A 450 3.338 -2.700 -3.075 1.00 0.06 S ATOM 1713 CE MET A 450 3.010 -4.147 -4.052 1.00 0.05 C ATOM 0 H MET A 450 3.455 -0.434 -7.753 1.00 0.05 H new ATOM 0 HA MET A 450 5.200 -1.414 -5.711 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.375 -1.452 -6.307 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.932 -3.002 -5.709 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.905 -0.655 -4.188 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.170 -0.902 -4.145 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.857 -5.003 -3.395 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.114 -3.986 -4.652 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.857 -4.342 -4.710 1.00 0.05 H new ATOM 1723 N LYS A 451 5.197 -3.026 -8.373 1.00 0.05 N ATOM 1724 CA LYS A 451 5.808 -4.145 -9.025 1.00 0.05 C ATOM 1725 C LYS A 451 7.294 -4.095 -8.751 1.00 0.05 C ATOM 1726 O LYS A 451 7.952 -5.101 -8.473 1.00 0.06 O ATOM 1727 CB LYS A 451 5.556 -4.087 -10.514 1.00 0.06 C ATOM 1728 CG LYS A 451 6.289 -2.985 -11.141 1.00 0.06 C ATOM 1729 CD LYS A 451 6.064 -2.941 -12.608 1.00 0.08 C ATOM 1730 CE LYS A 451 7.107 -2.086 -13.245 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.391 -2.806 -13.466 1.00 0.92 N1+ ATOM 0 H LYS A 451 4.952 -2.251 -8.990 1.00 0.05 H new ATOM 0 HA LYS A 451 5.384 -5.074 -8.645 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.854 -5.030 -10.971 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.489 -3.967 -10.699 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.976 -2.040 -10.696 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.354 -3.095 -10.939 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.101 -3.948 -13.023 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.072 -2.544 -12.823 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.734 -1.718 -14.201 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.289 -1.214 -12.616 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.143 -2.355 -12.906 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.288 -3.798 -13.172 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.641 -2.769 -14.475 1.00 0.92 H new ATOM 1745 N GLU A 452 7.774 -2.855 -8.782 1.00 0.05 N ATOM 1746 CA GLU A 452 9.140 -2.512 -8.614 1.00 0.05 C ATOM 1747 C GLU A 452 9.516 -2.926 -7.252 1.00 0.05 C ATOM 1748 O GLU A 452 10.561 -3.491 -6.985 1.00 0.06 O ATOM 1749 CB GLU A 452 9.215 -1.016 -8.682 1.00 0.05 C ATOM 1750 CG GLU A 452 8.719 -0.457 -9.970 1.00 0.07 C ATOM 1751 CD GLU A 452 9.806 -0.208 -10.985 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.163 -1.151 -11.726 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.306 0.929 -11.054 1.00 0.25 O1- ATOM 0 H GLU A 452 7.176 -2.042 -8.933 1.00 0.05 H new ATOM 0 HA GLU A 452 9.784 -2.977 -9.360 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.634 -0.593 -7.863 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.249 -0.704 -8.533 1.00 0.05 H new ATOM 0 HG2 GLU A 452 7.988 -1.144 -10.396 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.198 0.480 -9.772 1.00 0.07 H new ATOM 1760 N LEU A 453 8.608 -2.537 -6.403 1.00 0.04 N ATOM 1761 CA LEU A 453 8.560 -2.886 -5.043 1.00 0.04 C ATOM 1762 C LEU A 453 8.748 -4.338 -4.818 1.00 0.05 C ATOM 1763 O LEU A 453 9.724 -4.734 -4.215 1.00 0.05 O ATOM 1764 CB LEU A 453 7.201 -2.497 -4.548 1.00 0.04 C ATOM 1765 CG LEU A 453 7.208 -1.902 -3.205 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.380 -1.026 -3.084 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.997 -1.100 -2.960 1.00 0.05 C ATOM 0 H LEU A 453 7.838 -1.927 -6.678 1.00 0.04 H new ATOM 0 HA LEU A 453 9.367 -2.375 -4.518 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.759 -1.787 -5.247 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.561 -3.379 -4.541 1.00 0.04 H new ATOM 0 HG LEU A 453 7.239 -2.710 -2.474 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.398 -0.577 -2.091 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.288 -1.610 -3.235 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.326 -0.239 -3.837 1.00 0.03 H new ATOM 0 HD21 LEU A 453 6.038 -0.676 -1.957 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.940 -0.295 -3.692 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.116 -1.735 -3.050 1.00 0.05 H new ATOM 1779 N PHE A 454 7.810 -5.120 -5.276 1.00 0.05 N ATOM 1780 CA PHE A 454 7.938 -6.576 -5.191 1.00 0.06 C ATOM 1781 C PHE A 454 9.344 -6.993 -5.644 1.00 0.07 C ATOM 1782 O PHE A 454 9.881 -8.019 -5.222 1.00 0.09 O ATOM 1783 CB PHE A 454 6.854 -7.281 -6.032 1.00 0.07 C ATOM 1784 CG PHE A 454 6.982 -8.792 -6.082 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.925 -9.428 -6.892 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.140 -9.585 -5.314 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.009 -10.807 -6.923 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.227 -10.961 -5.347 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.275 -11.561 -6.196 1.00 0.12 C ATOM 0 H PHE A 454 6.948 -4.791 -5.712 1.00 0.05 H new ATOM 0 HA PHE A 454 7.793 -6.882 -4.155 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.875 -7.025 -5.628 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.891 -6.892 -7.049 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.594 -8.837 -7.499 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.403 -9.116 -4.679 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.724 -11.267 -7.589 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.552 -11.578 -4.772 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.421 -12.631 -6.203 1.00 0.12 H new ATOM 1799 N GLY A 455 9.959 -6.125 -6.443 1.00 0.06 N ATOM 1800 CA GLY A 455 11.250 -6.417 -7.008 1.00 0.08 C ATOM 1801 C GLY A 455 12.378 -5.966 -6.104 1.00 0.08 C ATOM 1802 O GLY A 455 13.493 -6.476 -6.199 1.00 0.13 O ATOM 0 H GLY A 455 9.575 -5.218 -6.707 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.334 -7.489 -7.186 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.342 -5.925 -7.976 1.00 0.08 H new ATOM 1806 N MET A 456 12.102 -4.984 -5.241 1.00 0.06 N ATOM 1807 CA MET A 456 13.091 -4.526 -4.290 1.00 0.05 C ATOM 1808 C MET A 456 12.836 -4.983 -2.883 1.00 0.05 C ATOM 1809 O MET A 456 13.763 -5.375 -2.176 1.00 0.06 O ATOM 1810 CB MET A 456 13.218 -3.029 -4.294 1.00 0.05 C ATOM 1811 CG MET A 456 11.936 -2.317 -4.448 1.00 0.04 C ATOM 1812 SD MET A 456 11.999 -1.120 -5.771 1.00 0.05 S ATOM 1813 CE MET A 456 10.537 -0.251 -5.325 1.00 0.04 C ATOM 0 H MET A 456 11.205 -4.500 -5.189 1.00 0.06 H new ATOM 0 HA MET A 456 14.023 -4.981 -4.626 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.688 -2.712 -3.363 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.885 -2.734 -5.104 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.142 -3.037 -4.646 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.685 -1.814 -3.514 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.743 -0.486 -6.034 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.228 -0.549 -4.323 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.732 0.821 -5.341 1.00 0.04 H new ATOM 1823 N VAL A 457 11.608 -4.902 -2.450 1.00 0.05 N ATOM 1824 CA VAL A 457 11.289 -5.316 -1.109 1.00 0.05 C ATOM 1825 C VAL A 457 11.305 -6.806 -0.988 1.00 0.07 C ATOM 1826 O VAL A 457 11.054 -7.549 -1.939 1.00 0.08 O ATOM 1827 CB VAL A 457 9.972 -4.738 -0.569 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.233 -3.941 -1.612 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.094 -5.823 0.027 1.00 0.05 C ATOM 0 H VAL A 457 10.819 -4.558 -2.997 1.00 0.05 H new ATOM 0 HA VAL A 457 12.075 -4.897 -0.481 1.00 0.05 H new ATOM 0 HB VAL A 457 10.233 -4.046 0.232 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.309 -3.552 -1.185 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.856 -3.111 -1.945 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.999 -4.582 -2.462 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.170 -5.380 0.400 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.859 -6.562 -0.739 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.621 -6.307 0.849 1.00 0.05 H new ATOM 1839 N GLU A 458 11.633 -7.221 0.200 1.00 0.08 N ATOM 1840 CA GLU A 458 11.742 -8.597 0.513 1.00 0.10 C ATOM 1841 C GLU A 458 10.801 -8.901 1.653 1.00 0.09 C ATOM 1842 O GLU A 458 10.390 -7.999 2.378 1.00 0.10 O ATOM 1843 CB GLU A 458 13.182 -8.883 0.913 1.00 0.13 C ATOM 1844 CG GLU A 458 14.054 -7.653 0.845 1.00 0.20 C ATOM 1845 CD GLU A 458 15.392 -7.822 1.530 1.00 0.27 C ATOM 1846 OE1 GLU A 458 15.452 -7.703 2.771 1.00 0.46 O ATOM 1847 OE2 GLU A 458 16.397 -8.063 0.833 1.00 0.48 O1- ATOM 0 H GLU A 458 11.833 -6.598 0.982 1.00 0.08 H new ATOM 0 HA GLU A 458 11.479 -9.221 -0.341 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.202 -9.283 1.927 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.592 -9.652 0.258 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.220 -7.393 -0.200 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.525 -6.817 1.301 1.00 0.20 H new ATOM 1854 N LYS A 459 10.411 -10.159 1.772 1.00 0.11 N ATOM 1855 CA LYS A 459 9.635 -10.591 2.910 1.00 0.13 C ATOM 1856 C LYS A 459 10.406 -10.323 4.170 1.00 0.15 C ATOM 1857 O LYS A 459 11.303 -11.077 4.545 1.00 0.18 O ATOM 1858 CB LYS A 459 9.275 -12.059 2.836 1.00 0.16 C ATOM 1859 CG LYS A 459 8.427 -12.373 1.637 1.00 0.22 C ATOM 1860 CD LYS A 459 9.197 -13.143 0.596 1.00 0.70 C ATOM 1861 CE LYS A 459 9.508 -14.554 1.075 1.00 0.40 C ATOM 1862 NZ LYS A 459 10.172 -15.372 0.028 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.621 -10.892 1.095 1.00 0.11 H new ATOM 0 HA LYS A 459 8.703 -10.027 2.908 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.187 -12.654 2.800 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.742 -12.347 3.742 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.557 -12.951 1.948 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.054 -11.446 1.202 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.620 -13.188 -0.328 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.126 -12.621 0.366 1.00 0.70 H new ATOM 0 HE2 LYS A 459 10.150 -14.503 1.955 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.584 -15.043 1.383 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 10.364 -16.324 0.401 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.550 -15.444 -0.803 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 11.068 -14.922 -0.248 1.00 0.99 H new ATOM 1876 N GLY A 460 10.014 -9.261 4.819 1.00 0.15 N ATOM 1877 CA GLY A 460 10.708 -8.815 6.002 1.00 0.19 C ATOM 1878 C GLY A 460 11.018 -7.340 5.936 1.00 0.15 C ATOM 1879 O GLY A 460 11.401 -6.731 6.932 1.00 0.17 O ATOM 0 H GLY A 460 9.216 -8.685 4.550 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.099 -9.021 6.882 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.634 -9.378 6.116 1.00 0.19 H new ATOM 1883 N THR A 461 10.859 -6.771 4.752 1.00 0.12 N ATOM 1884 CA THR A 461 10.931 -5.345 4.567 1.00 0.07 C ATOM 1885 C THR A 461 9.765 -4.698 5.300 1.00 0.08 C ATOM 1886 O THR A 461 8.722 -5.317 5.482 1.00 0.13 O ATOM 1887 CB THR A 461 10.890 -5.020 3.053 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.135 -5.372 2.430 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.575 -3.560 2.795 1.00 0.05 C ATOM 0 H THR A 461 10.676 -7.293 3.895 1.00 0.12 H new ATOM 0 HA THR A 461 11.863 -4.952 4.973 1.00 0.07 H new ATOM 0 HB THR A 461 10.088 -5.615 2.616 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.299 -4.778 1.668 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.556 -3.376 1.721 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.602 -3.317 3.222 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.340 -2.936 3.257 1.00 0.05 H new ATOM 1897 N PRO A 462 9.923 -3.480 5.795 1.00 0.09 N ATOM 1898 CA PRO A 462 8.865 -2.787 6.447 1.00 0.14 C ATOM 1899 C PRO A 462 8.140 -1.909 5.461 1.00 0.13 C ATOM 1900 O PRO A 462 8.663 -1.588 4.394 1.00 0.18 O ATOM 1901 CB PRO A 462 9.608 -1.950 7.494 1.00 0.18 C ATOM 1902 CG PRO A 462 11.064 -2.117 7.178 1.00 0.13 C ATOM 1903 CD PRO A 462 11.114 -2.649 5.797 1.00 0.09 C ATOM 0 HA PRO A 462 8.107 -3.438 6.883 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.312 -0.902 7.441 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.383 -2.294 8.504 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.592 -1.166 7.251 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.541 -2.802 7.879 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.071 -1.860 5.046 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.021 -3.222 5.605 1.00 0.09 H new ATOM 1911 N VAL A 463 6.949 -1.531 5.792 1.00 0.09 N ATOM 1912 CA VAL A 463 6.263 -0.550 5.001 1.00 0.09 C ATOM 1913 C VAL A 463 5.879 0.570 5.913 1.00 0.08 C ATOM 1914 O VAL A 463 5.720 0.388 7.110 1.00 0.10 O ATOM 1915 CB VAL A 463 4.996 -1.060 4.302 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.225 -2.419 3.673 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.849 -1.076 5.281 1.00 0.54 C ATOM 0 H VAL A 463 6.430 -1.880 6.597 1.00 0.09 H new ATOM 0 HA VAL A 463 6.945 -0.249 4.205 1.00 0.09 H new ATOM 0 HB VAL A 463 4.741 -0.381 3.488 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.309 -2.753 3.186 1.00 0.57 H new ATOM 0 HG12 VAL A 463 6.024 -2.348 2.935 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.507 -3.135 4.445 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.950 -1.439 4.782 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.092 -1.734 6.115 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.675 -0.067 5.654 1.00 0.54 H new ATOM 1927 N LEU A 464 5.799 1.725 5.381 1.00 0.07 N ATOM 1928 CA LEU A 464 5.346 2.834 6.131 1.00 0.07 C ATOM 1929 C LEU A 464 4.368 3.575 5.306 1.00 0.07 C ATOM 1930 O LEU A 464 4.406 3.498 4.096 1.00 0.09 O ATOM 1931 CB LEU A 464 6.510 3.718 6.500 1.00 0.10 C ATOM 1932 CG LEU A 464 7.487 3.097 7.458 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.531 2.347 6.704 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.104 4.169 8.319 1.00 0.13 C ATOM 0 H LEU A 464 6.045 1.933 4.413 1.00 0.07 H new ATOM 0 HA LEU A 464 4.874 2.502 7.056 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.041 3.997 5.590 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.126 4.639 6.939 1.00 0.10 H new ATOM 0 HG LEU A 464 6.966 2.393 8.107 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.236 1.900 7.405 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.059 1.562 6.113 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.063 3.030 6.042 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.812 3.716 9.013 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.625 4.888 7.687 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.322 4.679 8.881 1.00 0.13 H new ATOM 1946 N VAL A 465 3.442 4.189 5.963 1.00 0.06 N ATOM 1947 CA VAL A 465 2.606 5.182 5.353 1.00 0.05 C ATOM 1948 C VAL A 465 2.498 6.284 6.364 1.00 0.08 C ATOM 1949 O VAL A 465 2.507 5.981 7.538 1.00 0.10 O ATOM 1950 CB VAL A 465 1.221 4.620 4.937 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.309 3.132 4.686 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.161 4.949 5.938 1.00 0.08 C ATOM 0 H VAL A 465 3.238 4.018 6.948 1.00 0.06 H new ATOM 0 HA VAL A 465 3.035 5.541 4.418 1.00 0.05 H new ATOM 0 HB VAL A 465 0.929 5.105 4.006 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.329 2.753 4.395 1.00 0.09 H new ATOM 0 HG12 VAL A 465 2.024 2.940 3.886 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.637 2.628 5.595 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.792 4.537 5.607 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.427 4.519 6.904 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.074 6.031 6.034 1.00 0.08 H new ATOM 1962 N PHE A 466 2.524 7.531 5.925 1.00 0.10 N ATOM 1963 CA PHE A 466 2.499 8.684 6.820 1.00 0.15 C ATOM 1964 C PHE A 466 2.621 9.980 6.036 1.00 0.21 C ATOM 1965 O PHE A 466 3.750 10.378 5.695 1.00 1.09 O ATOM 1966 CB PHE A 466 3.585 8.588 7.912 1.00 0.17 C ATOM 1967 CG PHE A 466 4.996 8.379 7.428 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.367 7.160 6.928 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.941 9.392 7.489 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.658 6.930 6.483 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.236 9.175 7.048 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.592 7.939 6.542 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.568 10.584 5.754 1.00 1.06 O ATOM 0 H PHE A 466 2.563 7.777 4.936 1.00 0.10 H new ATOM 0 HA PHE A 466 1.534 8.683 7.327 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.558 9.503 8.504 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.327 7.767 8.581 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.640 6.363 6.880 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.665 10.359 7.884 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.931 5.962 6.091 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.966 9.970 7.099 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.600 7.766 6.194 1.00 0.30 H new