USER MOD reduce.3.24.130724 H: found=0, std=0, add=979, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 980 hydrogens (25 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 NoAdj-H: A 130 1RG HAA : A 130 1RG CAA : A 442 CYS SG :(H bumps) USER MOD Set 1.1: A 411 MET CE :methyl -99:sc= -4.61! (180deg=-7!) USER MOD Set 1.2: A 450 MET CE :methyl -167:sc= -5.41! (180deg=-6.46!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.7! C(o=-13!,f=-9.9!) USER MOD Set 2.2: A 426 GLN : amide:sc= -6.56! C(o=-13!,f=-7.8!) USER MOD Set 2.3: A 444 ASN : amide:sc= -2.68 K(o=-13,f=-7.8) USER MOD Set 3.1: A 130 1RG OAG : rot 130:sc= 0 USER MOD Set 3.2: A 403 TYR OH : rot 90:sc= -0.417 USER MOD Set 4.1: A 397 ASN : amide:sc= 0.368 X(o=-0.85,f=-1.2) USER MOD Set 4.2: A 401 THR OG1 : rot 43:sc= -0.83 USER MOD Set 4.3: A 440 HIS : no HD1:sc= -0.389 X(o=-0.85,f=-0.99) USER MOD Set 5.1: A 370 SER OG : rot -59:sc= -5.18! USER MOD Set 5.2: A 377 THR OG1 : rot -30:sc= 1.94 USER MOD Set 6.1: A 356 TYR OH : rot 24:sc= -7.26! USER MOD Set 6.2: A 358 LYS NZ :NH3+ -173:sc= 0.921 (180deg=0.16) USER MOD Single : A 130 1RG OAU : rot 30:sc= -1.47! USER MOD Single : A 130 1RG OBF : rot 180:sc= 0 USER MOD Single : A 339 HIS : no HD1:sc= -7.07! C(o=-7.1!,f=-7.5!) USER MOD Single : A 340 MET CE :methyl 177:sc= -4.52! (180deg=-4.6!) USER MOD Single : A 343 THR OG1 : rot -5:sc= 1.04 USER MOD Single : A 344 TYR OH : rot 92:sc= 0.531 USER MOD Single : A 351 ASN : amide:sc= -2.21! K(o=-2.2!,f=-1.5) USER MOD Single : A 352 GLN : amide:sc= -13.4! C(o=-13!,f=-13!) USER MOD Single : A 353 HIS : no HE2:sc= -6.33! C(o=-6.3!,f=-7.3!) USER MOD Single : A 354 MET CE :methyl -127:sc= -5.01! (180deg=-6!) USER MOD Single : A 357 TYR OH : rot 38:sc= 0.774 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.49! USER MOD Single : A 372 LYS NZ :NH3+ -129:sc= 0.00247 (180deg=0) USER MOD Single : A 374 THR OG1 : rot 150:sc= -2.94! USER MOD Single : A 375 THR OG1 : rot -161:sc= 1.26 USER MOD Single : A 383 TYR OH : rot -64:sc= 1.19 USER MOD Single : A 386 ASN : amide:sc= -3.3! C(o=-3.3!,f=-4!) USER MOD Single : A 387 LYS NZ :NH3+ -114:sc= 1.2 (180deg=-0.393) 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 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 408 ASN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 SER OG : rot 103:sc= 0.712 USER MOD Single : A 429 TYR OH : rot -124:sc= -2.56! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 445 THR OG1 : rot -133:sc= 0.924 USER MOD Single : A 448 SER OG : rot 180:sc= -0.14 USER MOD Single : A 451 LYS NZ :NH3+ -121:sc= 0.455 (180deg=-0.134) USER MOD Single : A 456 MET CE :methyl -107:sc= -20.2! (180deg=-28.4!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= -1.42! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 12.189 1.676 15.843 1.00 1.87 N ATOM 2 CA GLY A 338 12.716 1.808 14.466 1.00 1.09 C ATOM 3 C GLY A 338 12.345 0.622 13.604 1.00 1.10 C ATOM 4 O GLY A 338 11.721 -0.327 14.081 1.00 1.67 O ATOM 0 HA2 GLY A 338 12.327 2.721 14.014 1.00 1.09 H new ATOM 0 HA3 GLY A 338 13.801 1.907 14.500 1.00 1.09 H new ATOM 10 N HIS A 339 12.704 0.677 12.329 1.00 0.72 N ATOM 11 CA HIS A 339 12.504 -0.454 11.432 1.00 0.65 C ATOM 12 C HIS A 339 13.754 -0.743 10.636 1.00 0.55 C ATOM 13 O HIS A 339 14.095 0.007 9.726 1.00 0.84 O ATOM 14 CB HIS A 339 11.335 -0.262 10.448 1.00 0.81 C ATOM 15 CG HIS A 339 11.115 1.135 9.948 1.00 0.45 C ATOM 16 ND1 HIS A 339 10.701 2.186 10.742 1.00 0.51 N ATOM 17 CD2 HIS A 339 11.208 1.626 8.706 1.00 0.32 C ATOM 18 CE1 HIS A 339 10.551 3.263 9.990 1.00 0.38 C ATOM 19 NE2 HIS A 339 10.866 2.952 8.751 1.00 0.47 N ATOM 0 H HIS A 339 13.135 1.492 11.892 1.00 0.72 H new ATOM 0 HA HIS A 339 12.260 -1.293 12.083 1.00 0.65 H new ATOM 0 HB2 HIS A 339 11.500 -0.912 9.589 1.00 0.81 H new ATOM 0 HB3 HIS A 339 10.419 -0.601 10.933 1.00 0.81 H new ATOM 0 HD2 HIS A 339 11.501 1.075 7.825 1.00 0.32 H new ATOM 0 HE1 HIS A 339 10.225 4.233 10.334 1.00 0.38 H new ATOM 0 HE2 HIS A 339 10.857 3.591 7.956 1.00 0.47 H new ATOM 28 N MET A 340 14.440 -1.825 11.012 1.00 0.43 N ATOM 29 CA MET A 340 15.509 -2.388 10.195 1.00 0.31 C ATOM 30 C MET A 340 16.591 -1.353 9.890 1.00 0.33 C ATOM 31 O MET A 340 16.715 -0.353 10.599 1.00 0.43 O ATOM 32 CB MET A 340 14.890 -2.927 8.906 1.00 0.26 C ATOM 33 CG MET A 340 14.657 -4.419 8.920 1.00 0.67 C ATOM 34 SD MET A 340 14.922 -5.186 7.308 1.00 0.61 S ATOM 35 CE MET A 340 13.902 -4.138 6.285 1.00 0.17 C ATOM 0 H MET A 340 14.270 -2.329 11.883 1.00 0.43 H new ATOM 0 HA MET A 340 15.997 -3.194 10.743 1.00 0.31 H new ATOM 0 HB2 MET A 340 13.940 -2.422 8.731 1.00 0.26 H new ATOM 0 HB3 MET A 340 15.542 -2.678 8.069 1.00 0.26 H new ATOM 0 HG2 MET A 340 15.324 -4.879 9.650 1.00 0.67 H new ATOM 0 HG3 MET A 340 13.637 -4.619 9.249 1.00 0.67 H new ATOM 0 HE1 MET A 340 13.996 -4.444 5.243 1.00 0.17 H new ATOM 0 HE2 MET A 340 12.861 -4.226 6.597 1.00 0.17 H new ATOM 0 HE3 MET A 340 14.225 -3.102 6.389 1.00 0.17 H new ATOM 45 N GLU A 341 17.420 -1.622 8.882 1.00 0.29 N ATOM 46 CA GLU A 341 18.267 -0.601 8.330 1.00 0.35 C ATOM 47 C GLU A 341 17.495 0.281 7.371 1.00 0.30 C ATOM 48 O GLU A 341 16.276 0.420 7.500 1.00 0.36 O ATOM 49 CB GLU A 341 19.546 -1.176 7.710 1.00 0.43 C ATOM 50 CG GLU A 341 19.401 -2.314 6.701 1.00 1.31 C ATOM 51 CD GLU A 341 18.153 -2.296 5.845 1.00 1.61 C ATOM 52 OE1 GLU A 341 18.175 -1.646 4.779 1.00 1.85 O1- ATOM 53 OE2 GLU A 341 17.138 -2.887 6.259 1.00 1.82 O ATOM 0 H GLU A 341 17.513 -2.538 8.442 1.00 0.29 H new ATOM 0 HA GLU A 341 18.601 0.032 9.152 1.00 0.35 H new ATOM 0 HB2 GLU A 341 20.076 -0.360 7.220 1.00 0.43 H new ATOM 0 HB3 GLU A 341 20.183 -1.528 8.522 1.00 0.43 H new ATOM 0 HG2 GLU A 341 20.269 -2.299 6.041 1.00 1.31 H new ATOM 0 HG3 GLU A 341 19.430 -3.259 7.244 1.00 1.31 H new ATOM 60 N ASP A 342 18.155 0.876 6.416 1.00 0.24 N ATOM 61 CA ASP A 342 17.425 1.744 5.514 1.00 0.20 C ATOM 62 C ASP A 342 17.007 1.017 4.243 1.00 0.17 C ATOM 63 O ASP A 342 17.664 1.101 3.207 1.00 0.19 O ATOM 64 CB ASP A 342 18.231 2.993 5.153 1.00 0.22 C ATOM 65 CG ASP A 342 18.623 3.815 6.365 1.00 0.31 C ATOM 66 OD1 ASP A 342 17.735 4.449 6.973 1.00 0.39 O ATOM 67 OD2 ASP A 342 19.822 3.834 6.710 1.00 0.43 O1- ATOM 0 H ASP A 342 19.156 0.787 6.240 1.00 0.24 H new ATOM 0 HA ASP A 342 16.526 2.053 6.047 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.132 2.695 4.616 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.646 3.613 4.474 1.00 0.22 H new ATOM 72 N THR A 343 15.889 0.321 4.334 1.00 0.13 N ATOM 73 CA THR A 343 15.145 -0.146 3.178 1.00 0.10 C ATOM 74 C THR A 343 13.721 -0.436 3.593 1.00 0.08 C ATOM 75 O THR A 343 13.506 -1.085 4.618 1.00 0.10 O ATOM 76 CB THR A 343 15.705 -1.416 2.524 1.00 0.11 C ATOM 77 OG1 THR A 343 17.044 -1.204 2.059 1.00 0.14 O ATOM 78 CG2 THR A 343 14.798 -1.790 1.364 1.00 0.08 C ATOM 0 H THR A 343 15.466 0.060 5.225 1.00 0.13 H new ATOM 0 HA THR A 343 15.219 0.653 2.440 1.00 0.10 H new ATOM 0 HB THR A 343 15.736 -2.223 3.256 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.290 -0.264 2.189 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.176 -2.692 0.882 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.789 -1.973 1.735 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.777 -0.974 0.641 1.00 0.08 H new ATOM 86 N TYR A 344 12.757 0.017 2.803 1.00 0.07 N ATOM 87 CA TYR A 344 11.356 -0.140 3.169 1.00 0.06 C ATOM 88 C TYR A 344 10.444 0.558 2.197 1.00 0.06 C ATOM 89 O TYR A 344 10.857 1.451 1.488 1.00 0.06 O ATOM 90 CB TYR A 344 11.111 0.473 4.533 1.00 0.08 C ATOM 91 CG TYR A 344 11.518 1.931 4.625 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.831 2.265 4.900 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.604 2.961 4.440 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.233 3.582 4.991 1.00 0.13 C ATOM 95 CE2 TYR A 344 10.995 4.280 4.530 1.00 0.11 C ATOM 96 CZ TYR A 344 12.308 4.588 4.808 1.00 0.13 C ATOM 97 OH TYR A 344 12.696 5.906 4.888 1.00 0.15 O ATOM 0 H TYR A 344 12.916 0.491 1.914 1.00 0.07 H new ATOM 0 HA TYR A 344 11.143 -1.209 3.166 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.053 0.384 4.777 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.660 -0.097 5.282 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.557 1.479 5.047 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.573 2.725 4.223 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.264 3.823 5.204 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.273 5.070 4.383 1.00 0.11 H new ATOM 0 HH TYR A 344 12.936 6.231 3.995 1.00 0.15 H new ATOM 107 N ILE A 345 9.203 0.129 2.153 1.00 0.06 N ATOM 108 CA ILE A 345 8.174 0.915 1.528 1.00 0.06 C ATOM 109 C ILE A 345 7.762 2.018 2.455 1.00 0.07 C ATOM 110 O ILE A 345 7.839 1.875 3.669 1.00 0.08 O ATOM 111 CB ILE A 345 6.906 0.128 1.195 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.180 -1.363 1.208 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.410 0.541 -0.167 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.239 -1.757 0.256 1.00 0.05 C ATOM 0 H ILE A 345 8.886 -0.759 2.543 1.00 0.06 H new ATOM 0 HA ILE A 345 8.607 1.278 0.596 1.00 0.06 H new ATOM 0 HB ILE A 345 6.149 0.345 1.948 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.471 -1.666 2.214 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.262 -1.899 0.966 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.506 -0.017 -0.410 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.188 1.608 -0.165 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.177 0.331 -0.913 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.393 -2.835 0.308 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.940 -1.482 -0.755 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.167 -1.245 0.512 1.00 0.05 H new ATOM 126 N GLU A 346 7.294 3.090 1.885 1.00 0.09 N ATOM 127 CA GLU A 346 6.931 4.254 2.652 1.00 0.12 C ATOM 128 C GLU A 346 5.821 4.995 1.945 1.00 0.17 C ATOM 129 O GLU A 346 5.770 5.011 0.734 1.00 0.21 O ATOM 130 CB GLU A 346 8.147 5.152 2.779 1.00 0.15 C ATOM 131 CG GLU A 346 7.883 6.351 3.650 1.00 0.13 C ATOM 132 CD GLU A 346 9.002 7.378 3.673 1.00 1.24 C ATOM 133 OE1 GLU A 346 9.949 7.219 4.476 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 8.933 8.365 2.909 1.00 1.53 O ATOM 0 H GLU A 346 7.152 3.186 0.879 1.00 0.09 H new ATOM 0 HA GLU A 346 6.587 3.957 3.643 1.00 0.12 H new ATOM 0 HB2 GLU A 346 8.977 4.580 3.194 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.454 5.486 1.788 1.00 0.15 H new ATOM 0 HG2 GLU A 346 6.969 6.837 3.308 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.701 6.010 4.669 1.00 0.13 H new ATOM 141 N VAL A 347 4.894 5.548 2.691 1.00 0.17 N ATOM 142 CA VAL A 347 3.841 6.327 2.095 1.00 0.17 C ATOM 143 C VAL A 347 3.616 7.618 2.849 1.00 0.20 C ATOM 144 O VAL A 347 4.074 7.783 3.967 1.00 0.45 O ATOM 145 CB VAL A 347 2.507 5.579 2.035 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.623 6.225 0.994 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.701 4.100 1.744 1.00 0.15 C ATOM 0 H VAL A 347 4.849 5.472 3.707 1.00 0.17 H new ATOM 0 HA VAL A 347 4.177 6.532 1.078 1.00 0.17 H new ATOM 0 HB VAL A 347 2.027 5.645 3.011 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.671 5.696 0.946 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.447 7.267 1.262 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.113 6.179 0.021 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.730 3.606 1.710 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.203 3.981 0.784 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.309 3.651 2.529 1.00 0.15 H new ATOM 157 N ASP A 348 2.950 8.530 2.183 1.00 0.10 N ATOM 158 CA ASP A 348 2.510 9.777 2.748 1.00 0.09 C ATOM 159 C ASP A 348 1.123 10.053 2.208 1.00 0.08 C ATOM 160 O ASP A 348 0.947 10.364 1.049 1.00 0.10 O ATOM 161 CB ASP A 348 3.467 10.891 2.315 1.00 0.12 C ATOM 162 CG ASP A 348 3.244 12.172 3.074 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.076 12.513 3.338 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.242 12.849 3.408 1.00 0.24 O ATOM 0 H ASP A 348 2.693 8.419 1.202 1.00 0.10 H new ATOM 0 HA ASP A 348 2.494 9.732 3.837 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.495 10.560 2.462 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.342 11.078 1.248 1.00 0.12 H new ATOM 169 N LEU A 349 0.151 9.876 3.073 1.00 0.08 N ATOM 170 CA LEU A 349 -1.269 9.869 2.717 1.00 0.09 C ATOM 171 C LEU A 349 -1.784 11.262 2.645 1.00 0.12 C ATOM 172 O LEU A 349 -2.682 11.607 1.896 1.00 0.16 O ATOM 173 CB LEU A 349 -2.054 9.137 3.784 1.00 0.10 C ATOM 174 CG LEU A 349 -1.447 7.826 4.192 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.775 7.177 3.013 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.465 8.062 5.286 1.00 0.08 C ATOM 0 H LEU A 349 0.318 9.729 4.068 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.382 9.377 1.751 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.138 9.777 4.663 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.066 8.960 3.420 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.229 7.157 4.550 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.338 6.227 3.321 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.509 7.001 2.227 1.00 0.07 H new ATOM 0 HD13 LEU A 349 0.010 7.832 2.636 1.00 0.07 H new ATOM 0 HD21 LEU A 349 -0.021 7.113 5.587 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.318 8.734 4.934 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.972 8.512 6.139 1.00 0.08 H new ATOM 188 N GLU A 350 -1.205 12.016 3.543 1.00 0.13 N ATOM 189 CA GLU A 350 -1.429 13.433 3.681 1.00 0.15 C ATOM 190 C GLU A 350 -1.152 14.065 2.363 1.00 0.14 C ATOM 191 O GLU A 350 -1.858 14.941 1.884 1.00 0.17 O ATOM 192 CB GLU A 350 -0.436 13.956 4.676 1.00 0.18 C ATOM 193 CG GLU A 350 -0.259 13.045 5.823 1.00 0.19 C ATOM 194 CD GLU A 350 -0.471 13.704 7.168 1.00 0.28 C ATOM 195 OE1 GLU A 350 -1.619 13.705 7.655 1.00 0.60 O1- ATOM 196 OE2 GLU A 350 0.505 14.218 7.751 1.00 0.57 O ATOM 0 H GLU A 350 -0.540 11.647 4.223 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.448 13.646 4.004 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.524 14.106 4.183 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.765 14.931 5.036 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -0.955 12.212 5.724 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.747 12.626 5.789 1.00 0.19 H new ATOM 203 N ASN A 351 -0.044 13.600 1.837 1.00 0.12 N ATOM 204 CA ASN A 351 0.527 14.110 0.598 1.00 0.11 C ATOM 205 C ASN A 351 0.266 13.172 -0.563 1.00 0.09 C ATOM 206 O ASN A 351 0.773 13.355 -1.670 1.00 0.10 O ATOM 207 CB ASN A 351 2.025 14.311 0.796 1.00 0.13 C ATOM 208 CG ASN A 351 2.282 15.408 1.792 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.506 16.563 1.428 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.213 15.059 3.057 1.00 0.18 N ATOM 0 H ASN A 351 0.499 12.846 2.258 1.00 0.12 H new ATOM 0 HA ASN A 351 0.052 15.060 0.355 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.480 13.383 1.143 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.494 14.559 -0.156 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.348 15.758 3.787 1.00 0.18 H new ATOM 0 HD22 ASN A 351 2.025 14.089 3.309 1.00 0.18 H new ATOM 217 N GLN A 352 -0.545 12.163 -0.240 1.00 0.08 N ATOM 218 CA GLN A 352 -0.904 11.047 -1.120 1.00 0.08 C ATOM 219 C GLN A 352 0.202 10.645 -2.071 1.00 0.07 C ATOM 220 O GLN A 352 0.042 10.669 -3.289 1.00 0.08 O ATOM 221 CB GLN A 352 -2.179 11.314 -1.885 1.00 0.12 C ATOM 222 CG GLN A 352 -3.384 11.429 -0.997 1.00 0.21 C ATOM 223 CD GLN A 352 -3.979 10.095 -0.624 1.00 1.28 C ATOM 224 OE1 GLN A 352 -4.879 9.603 -1.294 1.00 2.15 O ATOM 225 NE2 GLN A 352 -3.508 9.520 0.466 1.00 1.89 N ATOM 0 H GLN A 352 -0.987 12.097 0.677 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.069 10.204 -0.449 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.067 12.235 -2.457 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.340 10.510 -2.604 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -3.107 11.963 -0.088 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -4.142 12.029 -1.501 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -2.757 9.965 0.994 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -3.895 8.630 0.781 1.00 1.89 H new ATOM 234 N HIS A 353 1.295 10.212 -1.502 1.00 0.05 N ATOM 235 CA HIS A 353 2.424 9.762 -2.278 1.00 0.05 C ATOM 236 C HIS A 353 3.049 8.560 -1.608 1.00 0.06 C ATOM 237 O HIS A 353 3.207 8.528 -0.401 1.00 0.07 O ATOM 238 CB HIS A 353 3.439 10.889 -2.431 1.00 0.06 C ATOM 239 CG HIS A 353 4.494 10.584 -3.436 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.450 10.983 -4.759 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.597 9.847 -3.307 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.496 10.476 -5.393 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.208 9.791 -4.524 1.00 0.07 N ATOM 0 H HIS A 353 1.430 10.160 -0.492 1.00 0.05 H new ATOM 0 HA HIS A 353 2.089 9.473 -3.274 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.920 11.802 -2.722 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.908 11.083 -1.466 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.730 11.571 -5.178 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.945 9.377 -2.399 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.725 10.603 -6.441 1.00 0.09 H new ATOM 252 N MET A 354 3.359 7.559 -2.398 1.00 0.05 N ATOM 253 CA MET A 354 3.942 6.351 -1.894 1.00 0.06 C ATOM 254 C MET A 354 5.375 6.206 -2.391 1.00 0.05 C ATOM 255 O MET A 354 5.746 6.764 -3.420 1.00 0.06 O ATOM 256 CB MET A 354 3.129 5.146 -2.308 1.00 0.07 C ATOM 257 CG MET A 354 3.454 3.905 -1.509 1.00 0.07 C ATOM 258 SD MET A 354 3.729 2.459 -2.538 1.00 0.06 S ATOM 259 CE MET A 354 4.956 3.104 -3.666 1.00 0.05 C ATOM 0 H MET A 354 3.212 7.565 -3.407 1.00 0.05 H new ATOM 0 HA MET A 354 3.947 6.407 -0.805 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.069 5.375 -2.196 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.302 4.945 -3.365 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.344 4.090 -0.907 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.637 3.701 -0.817 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.630 2.937 -4.693 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.082 4.173 -3.494 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.906 2.596 -3.500 1.00 0.05 H new ATOM 269 N TRP A 355 6.153 5.436 -1.668 1.00 0.05 N ATOM 270 CA TRP A 355 7.566 5.261 -1.931 1.00 0.07 C ATOM 271 C TRP A 355 7.999 3.844 -1.682 1.00 0.07 C ATOM 272 O TRP A 355 7.387 3.129 -0.904 1.00 0.11 O ATOM 273 CB TRP A 355 8.411 6.109 -0.985 1.00 0.08 C ATOM 274 CG TRP A 355 8.332 7.559 -1.218 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.074 8.291 -2.061 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.469 8.445 -0.558 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.705 9.605 -1.996 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.705 9.725 -1.050 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.508 8.259 0.402 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.979 10.821 -0.578 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.815 9.308 0.857 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.040 10.586 0.375 1.00 0.09 C ATOM 0 H TRP A 355 5.818 4.903 -0.865 1.00 0.05 H new ATOM 0 HA TRP A 355 7.710 5.548 -2.973 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.101 5.903 0.040 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.452 5.798 -1.072 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.852 7.899 -2.700 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.099 10.365 -2.550 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.312 7.270 0.789 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.157 11.817 -0.956 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.063 9.155 1.617 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.459 11.410 0.763 1.00 0.09 H new ATOM 293 N TYR A 356 9.059 3.458 -2.335 1.00 0.04 N ATOM 294 CA TYR A 356 9.926 2.446 -1.804 1.00 0.04 C ATOM 295 C TYR A 356 11.201 3.116 -1.450 1.00 0.04 C ATOM 296 O TYR A 356 11.580 4.096 -2.057 1.00 0.05 O ATOM 297 CB TYR A 356 10.251 1.382 -2.784 1.00 0.03 C ATOM 298 CG TYR A 356 11.129 0.290 -2.196 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.619 -0.687 -1.367 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.479 0.280 -2.435 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.436 -1.628 -0.783 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.294 -0.659 -1.870 1.00 0.10 C ATOM 303 CZ TYR A 356 12.676 -1.781 -1.219 1.00 0.05 C ATOM 304 OH TYR A 356 13.605 -2.506 -0.428 1.00 0.26 O ATOM 0 H TYR A 356 9.344 3.832 -3.240 1.00 0.04 H new ATOM 0 HA TYR A 356 9.420 1.978 -0.960 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.326 0.939 -3.153 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.756 1.826 -3.642 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.557 -0.714 -1.172 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.907 1.030 -3.084 1.00 0.05 H new ATOM 0 HE1 TYR A 356 11.067 -2.239 0.028 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.369 -0.561 -1.911 1.00 0.10 H new ATOM 0 HH TYR A 356 13.122 -3.120 0.163 1.00 0.26 H new ATOM 314 N TYR A 357 11.864 2.552 -0.522 1.00 0.05 N ATOM 315 CA TYR A 357 13.115 3.081 -0.057 1.00 0.06 C ATOM 316 C TYR A 357 14.167 2.015 -0.089 1.00 0.06 C ATOM 317 O TYR A 357 14.042 0.988 0.564 1.00 0.07 O ATOM 318 CB TYR A 357 13.017 3.649 1.348 1.00 0.07 C ATOM 319 CG TYR A 357 12.577 5.082 1.410 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.249 5.434 1.224 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.500 6.084 1.667 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.848 6.753 1.292 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.111 7.402 1.735 1.00 0.11 C ATOM 324 CZ TYR A 357 11.780 7.734 1.547 1.00 0.11 C ATOM 325 OH TYR A 357 11.368 9.044 1.626 1.00 0.14 O ATOM 0 H TYR A 357 11.565 1.700 -0.047 1.00 0.05 H new ATOM 0 HA TYR A 357 13.385 3.897 -0.727 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.318 3.042 1.924 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.990 3.560 1.831 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.518 4.665 1.023 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.538 5.827 1.816 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.810 7.014 1.146 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.840 8.174 1.934 1.00 0.11 H new ATOM 0 HH TYR A 357 10.497 9.087 2.074 1.00 0.14 H new ATOM 335 N LYS A 358 15.183 2.266 -0.860 1.00 0.07 N ATOM 336 CA LYS A 358 16.336 1.417 -0.898 1.00 0.09 C ATOM 337 C LYS A 358 17.549 2.243 -0.572 1.00 0.13 C ATOM 338 O LYS A 358 17.893 3.114 -1.352 1.00 0.25 O ATOM 339 CB LYS A 358 16.514 0.806 -2.262 1.00 0.11 C ATOM 340 CG LYS A 358 17.516 -0.304 -2.237 1.00 0.12 C ATOM 341 CD LYS A 358 16.947 -1.429 -1.472 1.00 0.09 C ATOM 342 CE LYS A 358 16.343 -2.401 -2.422 1.00 0.09 C ATOM 343 NZ LYS A 358 15.890 -3.649 -1.755 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.235 3.071 -1.484 1.00 0.07 H new ATOM 0 HA LYS A 358 16.205 0.613 -0.174 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.557 0.426 -2.620 1.00 0.11 H new ATOM 0 HB3 LYS A 358 16.836 1.573 -2.967 1.00 0.11 H new ATOM 0 HG2 LYS A 358 17.758 -0.620 -3.252 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.445 0.034 -1.779 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.724 -1.913 -0.880 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.193 -1.067 -0.773 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.496 -1.934 -2.924 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.072 -2.650 -3.193 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.588 -4.337 -2.474 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.673 -4.050 -1.200 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.092 -3.435 -1.123 1.00 0.10 H new ATOM 357 N ASP A 359 18.166 1.985 0.553 1.00 0.13 N ATOM 358 CA ASP A 359 19.328 2.769 1.011 1.00 0.16 C ATOM 359 C ASP A 359 18.938 4.120 1.564 1.00 0.16 C ATOM 360 O ASP A 359 19.599 5.127 1.282 1.00 0.28 O ATOM 361 CB ASP A 359 20.315 3.025 -0.097 1.00 0.19 C ATOM 362 CG ASP A 359 21.675 2.414 0.164 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.493 3.064 0.849 1.00 0.39 O1- ATOM 364 OD2 ASP A 359 21.937 1.289 -0.313 1.00 0.43 O ATOM 0 H ASP A 359 17.894 1.234 1.187 1.00 0.13 H new ATOM 0 HA ASP A 359 19.777 2.157 1.793 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.917 2.625 -1.029 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.427 4.101 -0.234 1.00 0.19 H new ATOM 369 N GLY A 360 17.865 4.156 2.325 1.00 0.15 N ATOM 370 CA GLY A 360 17.423 5.415 2.914 1.00 0.15 C ATOM 371 C GLY A 360 17.116 6.467 1.896 1.00 0.14 C ATOM 372 O GLY A 360 17.036 7.659 2.185 1.00 0.18 O ATOM 0 H GLY A 360 17.287 3.347 2.551 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.534 5.233 3.519 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.196 5.785 3.587 1.00 0.15 H new ATOM 376 N LYS A 361 16.961 5.997 0.708 1.00 0.13 N ATOM 377 CA LYS A 361 16.620 6.799 -0.415 1.00 0.13 C ATOM 378 C LYS A 361 15.646 5.964 -1.192 1.00 0.09 C ATOM 379 O LYS A 361 15.500 4.790 -0.894 1.00 0.12 O ATOM 380 CB LYS A 361 17.881 7.047 -1.201 1.00 0.16 C ATOM 381 CG LYS A 361 18.374 5.800 -1.876 1.00 0.17 C ATOM 382 CD LYS A 361 19.352 6.093 -2.965 1.00 0.23 C ATOM 383 CE LYS A 361 18.690 6.923 -4.044 1.00 0.26 C ATOM 384 NZ LYS A 361 19.372 6.791 -5.356 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.072 5.008 0.483 1.00 0.13 H new ATOM 0 HA LYS A 361 16.187 7.767 -0.162 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.696 7.817 -1.950 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.655 7.430 -0.535 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.841 5.150 -1.136 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.526 5.254 -2.290 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.211 6.627 -2.560 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.727 5.161 -3.389 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.649 6.618 -4.146 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.687 7.971 -3.743 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.883 7.377 -6.062 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.359 7.107 -5.268 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.353 5.796 -5.659 1.00 0.37 H new ATOM 398 N VAL A 362 14.963 6.512 -2.150 1.00 0.09 N ATOM 399 CA VAL A 362 13.907 5.740 -2.746 1.00 0.07 C ATOM 400 C VAL A 362 14.235 5.066 -4.022 1.00 0.07 C ATOM 401 O VAL A 362 15.128 5.441 -4.781 1.00 0.10 O ATOM 402 CB VAL A 362 12.617 6.493 -2.926 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.192 7.043 -1.614 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.715 7.559 -3.947 1.00 0.09 C ATOM 0 H VAL A 362 15.104 7.450 -2.526 1.00 0.09 H new ATOM 0 HA VAL A 362 13.775 4.965 -1.991 1.00 0.07 H new ATOM 0 HB VAL A 362 11.865 5.796 -3.296 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.257 7.591 -1.735 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.045 6.226 -0.907 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.961 7.716 -1.235 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.755 8.069 -4.034 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.481 8.276 -3.652 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.981 7.119 -4.908 1.00 0.09 H new ATOM 414 N ALA A 363 13.430 4.057 -4.223 1.00 0.05 N ATOM 415 CA ALA A 363 13.487 3.226 -5.358 1.00 0.05 C ATOM 416 C ALA A 363 12.269 3.532 -6.159 1.00 0.05 C ATOM 417 O ALA A 363 12.212 3.391 -7.379 1.00 0.07 O ATOM 418 CB ALA A 363 13.472 1.777 -4.921 1.00 0.05 C ATOM 0 H ALA A 363 12.695 3.796 -3.566 1.00 0.05 H new ATOM 0 HA ALA A 363 14.393 3.395 -5.940 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.516 1.132 -5.798 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.333 1.581 -4.283 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.556 1.574 -4.367 1.00 0.05 H new ATOM 424 N LEU A 364 11.289 3.961 -5.401 1.00 0.04 N ATOM 425 CA LEU A 364 9.993 4.247 -5.901 1.00 0.04 C ATOM 426 C LEU A 364 9.476 5.533 -5.386 1.00 0.05 C ATOM 427 O LEU A 364 9.685 5.911 -4.238 1.00 0.06 O ATOM 428 CB LEU A 364 9.070 3.142 -5.486 1.00 0.04 C ATOM 429 CG LEU A 364 8.384 2.463 -6.621 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.396 2.143 -7.676 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.752 1.214 -6.130 1.00 0.05 C ATOM 0 H LEU A 364 11.387 4.120 -4.398 1.00 0.04 H new ATOM 0 HA LEU A 364 10.051 4.324 -6.987 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.638 2.401 -4.923 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.317 3.547 -4.810 1.00 0.04 H new ATOM 0 HG LEU A 364 7.615 3.112 -7.040 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.905 1.645 -8.512 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.862 3.065 -8.025 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.160 1.486 -7.260 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.248 0.712 -6.956 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.518 0.556 -5.719 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.025 1.455 -5.354 1.00 0.05 H new ATOM 443 N GLU A 365 8.775 6.166 -6.263 1.00 0.05 N ATOM 444 CA GLU A 365 8.104 7.368 -5.978 1.00 0.06 C ATOM 445 C GLU A 365 6.823 7.256 -6.711 1.00 0.05 C ATOM 446 O GLU A 365 6.824 7.119 -7.935 1.00 0.07 O ATOM 447 CB GLU A 365 8.930 8.511 -6.511 1.00 0.10 C ATOM 448 CG GLU A 365 9.143 9.643 -5.524 1.00 0.16 C ATOM 449 CD GLU A 365 10.252 10.585 -5.942 1.00 0.27 C ATOM 450 OE1 GLU A 365 11.436 10.206 -5.840 1.00 0.48 O ATOM 451 OE2 GLU A 365 9.942 11.714 -6.375 1.00 0.45 O1- ATOM 0 H GLU A 365 8.655 5.844 -7.224 1.00 0.05 H new ATOM 0 HA GLU A 365 7.942 7.543 -4.914 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.902 8.127 -6.821 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.445 8.909 -7.403 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.215 10.206 -5.418 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.377 9.226 -4.545 1.00 0.16 H new ATOM 458 N THR A 366 5.738 7.279 -6.008 1.00 0.05 N ATOM 459 CA THR A 366 4.512 7.169 -6.682 1.00 0.06 C ATOM 460 C THR A 366 3.408 7.883 -5.966 1.00 0.06 C ATOM 461 O THR A 366 3.522 8.263 -4.819 1.00 0.07 O ATOM 462 CB THR A 366 4.172 5.689 -6.886 1.00 0.06 C ATOM 463 OG1 THR A 366 3.613 5.473 -8.167 1.00 0.07 O ATOM 464 CG2 THR A 366 3.195 5.216 -5.847 1.00 0.07 C ATOM 0 H THR A 366 5.686 7.371 -4.993 1.00 0.05 H new ATOM 0 HA THR A 366 4.613 7.652 -7.654 1.00 0.06 H new ATOM 0 HB THR A 366 5.101 5.127 -6.794 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.087 6.020 -8.827 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.969 4.163 -6.013 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.629 5.342 -4.855 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.277 5.799 -5.918 1.00 0.07 H new ATOM 472 N ASP A 367 2.352 8.061 -6.673 1.00 0.07 N ATOM 473 CA ASP A 367 1.200 8.730 -6.195 1.00 0.09 C ATOM 474 C ASP A 367 0.134 7.710 -5.823 1.00 0.09 C ATOM 475 O ASP A 367 -0.064 6.735 -6.529 1.00 0.11 O ATOM 476 CB ASP A 367 0.780 9.671 -7.312 1.00 0.13 C ATOM 477 CG ASP A 367 0.629 9.010 -8.684 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.533 8.246 -9.097 1.00 1.65 O ATOM 479 OD2 ASP A 367 -0.357 9.301 -9.384 1.00 1.80 O1- ATOM 0 H ASP A 367 2.264 7.733 -7.635 1.00 0.07 H new ATOM 0 HA ASP A 367 1.379 9.305 -5.286 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.169 10.134 -7.041 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.515 10.472 -7.389 1.00 0.13 H new ATOM 484 N ILE A 368 -0.499 7.909 -4.669 1.00 0.09 N ATOM 485 CA ILE A 368 -1.398 6.904 -4.102 1.00 0.08 C ATOM 486 C ILE A 368 -2.641 7.499 -3.529 1.00 0.07 C ATOM 487 O ILE A 368 -2.893 8.696 -3.616 1.00 0.08 O ATOM 488 CB ILE A 368 -0.750 6.113 -2.967 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.006 7.029 -2.033 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.145 5.055 -3.527 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.850 7.686 -0.957 1.00 0.08 C ATOM 0 H ILE A 368 -0.407 8.756 -4.108 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.633 6.256 -4.946 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.535 5.629 -2.386 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.799 6.459 -1.550 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.488 7.809 -2.622 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.603 4.496 -2.711 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.439 4.376 -4.149 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.925 5.520 -4.130 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.224 8.325 -0.334 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.628 8.288 -1.428 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.311 6.916 -0.339 1.00 0.08 H new ATOM 503 N VAL A 369 -3.381 6.621 -2.892 1.00 0.07 N ATOM 504 CA VAL A 369 -4.528 6.991 -2.119 1.00 0.08 C ATOM 505 C VAL A 369 -4.754 5.961 -1.022 1.00 0.09 C ATOM 506 O VAL A 369 -4.862 4.763 -1.270 1.00 0.10 O ATOM 507 CB VAL A 369 -5.805 7.239 -2.982 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.583 6.914 -4.466 1.00 0.10 C ATOM 509 CG2 VAL A 369 -7.012 6.492 -2.422 1.00 0.09 C ATOM 0 H VAL A 369 -3.195 5.618 -2.901 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.322 7.956 -1.657 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.018 8.306 -2.924 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.502 7.104 -5.021 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.784 7.542 -4.860 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.305 5.865 -4.571 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.883 6.687 -3.047 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.805 5.422 -2.412 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.211 6.832 -1.406 1.00 0.09 H new ATOM 519 N SER A 370 -4.723 6.463 0.195 1.00 0.09 N ATOM 520 CA SER A 370 -4.950 5.674 1.401 1.00 0.08 C ATOM 521 C SER A 370 -6.444 5.412 1.602 1.00 0.08 C ATOM 522 O SER A 370 -7.231 5.634 0.684 1.00 0.10 O ATOM 523 CB SER A 370 -4.301 6.314 2.641 1.00 0.13 C ATOM 524 OG SER A 370 -3.205 5.563 3.077 1.00 1.26 O ATOM 0 H SER A 370 -4.536 7.448 0.384 1.00 0.09 H new ATOM 0 HA SER A 370 -4.460 4.710 1.265 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.980 7.329 2.405 1.00 0.13 H new ATOM 0 HB3 SER A 370 -5.036 6.390 3.442 1.00 0.13 H new ATOM 0 HG SER A 370 -3.498 4.654 3.295 1.00 1.26 H new ATOM 530 N GLY A 371 -6.848 4.907 2.753 1.00 0.09 N ATOM 531 CA GLY A 371 -8.241 4.551 2.914 1.00 0.12 C ATOM 532 C GLY A 371 -9.088 5.729 3.364 1.00 0.12 C ATOM 533 O GLY A 371 -8.568 6.807 3.652 1.00 0.14 O ATOM 0 H GLY A 371 -6.253 4.739 3.564 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.627 4.168 1.969 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.326 3.745 3.643 1.00 0.12 H new ATOM 537 N LYS A 372 -10.398 5.519 3.401 1.00 0.16 N ATOM 538 CA LYS A 372 -11.360 6.606 3.536 1.00 0.16 C ATOM 539 C LYS A 372 -11.467 7.098 4.981 1.00 0.18 C ATOM 540 O LYS A 372 -11.126 6.398 5.923 1.00 0.21 O ATOM 541 CB LYS A 372 -12.704 6.102 3.029 1.00 0.19 C ATOM 542 CG LYS A 372 -13.558 5.420 4.066 1.00 0.27 C ATOM 543 CD LYS A 372 -14.667 4.666 3.397 1.00 0.47 C ATOM 544 CE LYS A 372 -14.147 3.417 2.738 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.205 2.702 1.979 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.823 4.594 3.339 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.028 7.462 2.948 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.260 6.945 2.618 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.529 5.406 2.209 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.949 4.738 4.660 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -13.971 6.159 4.753 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -15.429 4.404 4.131 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -15.147 5.302 2.653 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -13.331 3.677 2.064 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -13.734 2.752 3.497 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -15.219 1.701 2.261 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -16.130 3.132 2.183 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.008 2.772 0.960 1.00 0.79 H new ATOM 559 N PRO A 373 -11.957 8.352 5.136 1.00 0.19 N ATOM 560 CA PRO A 373 -12.004 9.098 6.410 1.00 0.21 C ATOM 561 C PRO A 373 -12.747 8.375 7.491 1.00 0.24 C ATOM 562 O PRO A 373 -12.536 8.595 8.680 1.00 0.28 O ATOM 563 CB PRO A 373 -12.839 10.306 6.047 1.00 0.23 C ATOM 564 CG PRO A 373 -12.557 10.528 4.630 1.00 0.21 C ATOM 565 CD PRO A 373 -12.530 9.157 4.048 1.00 0.19 C ATOM 0 HA PRO A 373 -10.998 9.285 6.787 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.900 10.122 6.217 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.566 11.174 6.648 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.324 11.145 4.162 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.606 11.041 4.488 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.528 8.814 3.774 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.919 9.112 3.147 1.00 0.19 H new ATOM 573 N THR A 374 -13.685 7.586 7.036 1.00 0.25 N ATOM 574 CA THR A 374 -14.575 6.850 7.909 1.00 0.28 C ATOM 575 C THR A 374 -13.805 5.758 8.628 1.00 0.30 C ATOM 576 O THR A 374 -14.072 5.424 9.784 1.00 0.33 O ATOM 577 CB THR A 374 -15.721 6.207 7.110 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.255 5.071 6.387 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.298 7.205 6.137 1.00 0.29 C ATOM 0 H THR A 374 -13.858 7.432 6.043 1.00 0.25 H new ATOM 0 HA THR A 374 -14.995 7.551 8.631 1.00 0.28 H new ATOM 0 HB THR A 374 -16.490 5.892 7.816 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.983 4.422 6.292 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.109 6.740 5.576 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.683 8.066 6.684 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.520 7.532 5.447 1.00 0.29 H new ATOM 587 N THR A 375 -12.836 5.227 7.908 1.00 0.28 N ATOM 588 CA THR A 375 -11.982 4.158 8.378 1.00 0.31 C ATOM 589 C THR A 375 -10.566 4.418 7.901 1.00 0.29 C ATOM 590 O THR A 375 -10.005 3.758 7.024 1.00 0.29 O ATOM 591 CB THR A 375 -12.517 2.807 7.928 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.560 1.759 8.149 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.928 2.873 6.465 1.00 0.31 C ATOM 0 H THR A 375 -12.617 5.534 6.960 1.00 0.28 H new ATOM 0 HA THR A 375 -11.972 4.132 9.468 1.00 0.31 H new ATOM 0 HB THR A 375 -13.395 2.570 8.529 1.00 0.34 H new ATOM 0 HG1 THR A 375 -11.786 0.986 7.591 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.310 1.902 6.150 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.705 3.627 6.339 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.064 3.138 5.856 1.00 0.31 H new ATOM 601 N PRO A 376 -10.021 5.436 8.520 1.00 0.28 N ATOM 602 CA PRO A 376 -8.773 6.088 8.175 1.00 0.26 C ATOM 603 C PRO A 376 -7.567 5.197 8.146 1.00 0.26 C ATOM 604 O PRO A 376 -7.499 4.167 8.823 1.00 0.38 O ATOM 605 CB PRO A 376 -8.641 7.124 9.280 1.00 0.29 C ATOM 606 CG PRO A 376 -10.021 7.411 9.630 1.00 0.32 C ATOM 607 CD PRO A 376 -10.646 6.076 9.653 1.00 0.32 C ATOM 0 HA PRO A 376 -8.805 6.478 7.158 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.082 6.736 10.131 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.119 8.016 8.935 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.096 7.908 10.597 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.495 8.065 8.898 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.444 5.546 10.584 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.729 6.130 9.545 1.00 0.32 H new ATOM 615 N THR A 377 -6.608 5.620 7.361 1.00 0.17 N ATOM 616 CA THR A 377 -5.347 5.004 7.328 1.00 0.21 C ATOM 617 C THR A 377 -4.520 5.516 8.517 1.00 0.17 C ATOM 618 O THR A 377 -4.461 6.721 8.768 1.00 0.21 O ATOM 619 CB THR A 377 -4.702 5.327 5.976 1.00 0.33 C ATOM 620 OG1 THR A 377 -5.235 4.469 4.962 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.212 5.210 6.023 1.00 0.22 C ATOM 0 H THR A 377 -6.703 6.413 6.727 1.00 0.17 H new ATOM 0 HA THR A 377 -5.414 3.920 7.421 1.00 0.21 H new ATOM 0 HB THR A 377 -4.939 6.364 5.737 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.482 3.608 5.359 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.797 5.448 5.043 1.00 0.22 H new ATOM 0 HG22 THR A 377 -2.816 5.905 6.763 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.935 4.192 6.297 1.00 0.22 H new ATOM 629 N PRO A 378 -3.905 4.602 9.287 1.00 0.14 N ATOM 630 CA PRO A 378 -3.249 4.922 10.562 1.00 0.15 C ATOM 631 C PRO A 378 -1.963 5.687 10.354 1.00 0.13 C ATOM 632 O PRO A 378 -1.691 6.672 11.038 1.00 0.16 O ATOM 633 CB PRO A 378 -2.926 3.529 11.127 1.00 0.17 C ATOM 634 CG PRO A 378 -3.783 2.602 10.352 1.00 0.19 C ATOM 635 CD PRO A 378 -3.749 3.178 8.989 1.00 0.17 C ATOM 0 HA PRO A 378 -3.870 5.545 11.206 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.870 3.287 11.006 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.145 3.473 12.193 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.395 1.584 10.370 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.798 2.563 10.749 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.813 2.964 8.474 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.553 2.797 8.360 1.00 0.17 H new ATOM 643 N ALA A 379 -1.201 5.218 9.386 1.00 0.11 N ATOM 644 CA ALA A 379 0.130 5.712 9.097 1.00 0.10 C ATOM 645 C ALA A 379 1.093 5.582 10.266 1.00 0.10 C ATOM 646 O ALA A 379 0.788 5.852 11.431 1.00 0.13 O ATOM 647 CB ALA A 379 0.117 7.119 8.546 1.00 0.11 C ATOM 0 H ALA A 379 -1.497 4.465 8.764 1.00 0.11 H new ATOM 0 HA ALA A 379 0.511 5.057 8.313 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.139 7.441 8.347 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.458 7.142 7.620 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.340 7.790 9.273 1.00 0.11 H new ATOM 653 N GLY A 380 2.270 5.168 9.891 1.00 0.10 N ATOM 654 CA GLY A 380 3.342 4.910 10.800 1.00 0.11 C ATOM 655 C GLY A 380 4.276 3.906 10.196 1.00 0.12 C ATOM 656 O GLY A 380 4.786 4.099 9.097 1.00 0.20 O ATOM 0 H GLY A 380 2.514 4.997 8.915 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.877 5.834 11.021 1.00 0.11 H new ATOM 0 HA3 GLY A 380 2.950 4.535 11.745 1.00 0.11 H new ATOM 660 N VAL A 381 4.452 2.813 10.895 1.00 0.12 N ATOM 661 CA VAL A 381 5.293 1.735 10.437 1.00 0.13 C ATOM 662 C VAL A 381 4.519 0.420 10.418 1.00 0.15 C ATOM 663 O VAL A 381 4.142 -0.117 11.461 1.00 0.25 O ATOM 664 CB VAL A 381 6.512 1.614 11.351 1.00 0.17 C ATOM 665 CG1 VAL A 381 7.335 0.383 11.000 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.352 2.871 11.265 1.00 0.82 C ATOM 0 H VAL A 381 4.015 2.645 11.801 1.00 0.12 H new ATOM 0 HA VAL A 381 5.622 1.952 9.421 1.00 0.13 H new ATOM 0 HB VAL A 381 6.166 1.498 12.378 1.00 0.17 H new ATOM 0 HG11 VAL A 381 8.197 0.320 11.665 1.00 0.79 H new ATOM 0 HG12 VAL A 381 6.721 -0.510 11.116 1.00 0.79 H new ATOM 0 HG13 VAL A 381 7.678 0.457 9.968 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.218 2.775 11.920 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.688 3.015 10.238 1.00 0.82 H new ATOM 0 HG23 VAL A 381 6.756 3.729 11.575 1.00 0.82 H new ATOM 676 N PHE A 382 4.258 -0.068 9.221 1.00 0.09 N ATOM 677 CA PHE A 382 3.631 -1.361 9.017 1.00 0.09 C ATOM 678 C PHE A 382 4.692 -2.297 8.422 1.00 0.09 C ATOM 679 O PHE A 382 5.859 -1.915 8.343 1.00 0.10 O ATOM 680 CB PHE A 382 2.380 -1.266 8.133 1.00 0.10 C ATOM 681 CG PHE A 382 1.481 -0.092 8.438 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.119 0.202 9.749 1.00 0.18 C ATOM 683 CD2 PHE A 382 0.991 0.716 7.420 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.295 1.266 10.028 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.160 1.784 7.703 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.157 2.085 8.991 1.00 0.18 C ATOM 0 H PHE A 382 4.477 0.425 8.355 1.00 0.09 H new ATOM 0 HA PHE A 382 3.275 -1.757 9.968 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.692 -1.206 7.090 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.804 -2.185 8.241 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.490 -0.413 10.556 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.262 0.508 6.396 1.00 0.12 H new ATOM 0 HE1 PHE A 382 -0.002 1.468 11.046 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.239 2.382 6.897 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.757 2.956 9.211 1.00 0.18 H new ATOM 696 N TYR A 383 4.348 -3.509 8.026 1.00 0.11 N ATOM 697 CA TYR A 383 5.389 -4.450 7.617 1.00 0.11 C ATOM 698 C TYR A 383 4.980 -5.301 6.417 1.00 0.11 C ATOM 699 O TYR A 383 3.986 -6.016 6.470 1.00 0.13 O ATOM 700 CB TYR A 383 5.655 -5.353 8.812 1.00 0.13 C ATOM 701 CG TYR A 383 7.082 -5.812 8.944 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.106 -4.902 9.156 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.403 -7.155 8.828 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.417 -5.315 9.242 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.708 -7.586 8.924 1.00 0.49 C ATOM 706 CZ TYR A 383 9.710 -6.652 9.250 1.00 0.50 C ATOM 707 OH TYR A 383 11.029 -7.081 9.191 1.00 0.65 O ATOM 0 H TYR A 383 3.392 -3.862 7.977 1.00 0.11 H new ATOM 0 HA TYR A 383 6.274 -3.893 7.310 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.372 -4.823 9.721 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.010 -6.229 8.740 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.872 -3.852 9.255 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.617 -7.876 8.659 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.212 -4.586 9.303 1.00 0.39 H new ATOM 0 HE2 TYR A 383 8.958 -8.622 8.752 1.00 0.49 H new ATOM 0 HH TYR A 383 11.422 -6.814 8.334 1.00 0.65 H new ATOM 717 N VAL A 384 5.765 -5.232 5.330 1.00 0.09 N ATOM 718 CA VAL A 384 5.576 -6.154 4.216 1.00 0.09 C ATOM 719 C VAL A 384 6.281 -7.440 4.527 1.00 0.13 C ATOM 720 O VAL A 384 7.475 -7.629 4.269 1.00 0.16 O ATOM 721 CB VAL A 384 6.013 -5.622 2.828 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.337 -4.919 2.898 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.072 -6.749 1.786 1.00 0.08 C ATOM 0 H VAL A 384 6.521 -4.558 5.206 1.00 0.09 H new ATOM 0 HA VAL A 384 4.499 -6.298 4.124 1.00 0.09 H new ATOM 0 HB VAL A 384 5.257 -4.902 2.515 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.611 -4.560 1.906 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.265 -4.074 3.583 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.098 -5.612 3.256 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.382 -6.340 0.824 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.789 -7.504 2.107 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.087 -7.204 1.686 1.00 0.08 H new ATOM 733 N TRP A 385 5.513 -8.320 5.099 1.00 0.18 N ATOM 734 CA TRP A 385 6.012 -9.606 5.498 1.00 0.23 C ATOM 735 C TRP A 385 5.964 -10.522 4.282 1.00 0.12 C ATOM 736 O TRP A 385 6.358 -11.685 4.337 1.00 0.21 O ATOM 737 CB TRP A 385 5.201 -10.138 6.695 1.00 0.48 C ATOM 738 CG TRP A 385 3.792 -10.576 6.384 1.00 0.45 C ATOM 739 CD1 TRP A 385 2.646 -9.810 6.396 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.373 -11.903 6.044 1.00 1.08 C ATOM 741 NE1 TRP A 385 1.565 -10.586 6.067 1.00 1.17 N ATOM 742 CE2 TRP A 385 1.982 -11.866 5.851 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.042 -13.121 5.879 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.249 -12.988 5.500 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.310 -14.240 5.531 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.926 -14.168 5.345 1.00 2.55 C ATOM 0 H TRP A 385 4.525 -8.169 5.302 1.00 0.18 H new ATOM 0 HA TRP A 385 7.045 -9.548 5.840 1.00 0.23 H new ATOM 0 HB2 TRP A 385 5.738 -10.982 7.128 1.00 0.48 H new ATOM 0 HB3 TRP A 385 5.161 -9.361 7.458 1.00 0.48 H new ATOM 0 HD1 TRP A 385 2.606 -8.756 6.630 1.00 0.57 H new ATOM 0 HE1 TRP A 385 0.602 -10.258 5.995 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.111 -13.185 6.021 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.180 -12.934 5.354 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.815 -15.186 5.401 1.00 2.11 H new ATOM 0 HH2 TRP A 385 1.381 -15.060 5.074 1.00 2.55 H new ATOM 757 N ASN A 386 5.498 -9.949 3.168 1.00 0.10 N ATOM 758 CA ASN A 386 5.433 -10.655 1.898 1.00 0.14 C ATOM 759 C ASN A 386 5.089 -9.693 0.764 1.00 0.11 C ATOM 760 O ASN A 386 4.127 -8.946 0.840 1.00 0.12 O ATOM 761 CB ASN A 386 4.378 -11.759 1.971 1.00 0.27 C ATOM 762 CG ASN A 386 4.281 -12.565 0.689 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.943 -13.590 0.531 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.453 -12.112 -0.232 1.00 0.31 N ATOM 0 H ASN A 386 5.159 -8.988 3.128 1.00 0.10 H new ATOM 0 HA ASN A 386 6.409 -11.096 1.698 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.615 -12.428 2.798 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.407 -11.314 2.189 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.344 -12.616 -1.112 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.921 -11.258 -0.064 1.00 0.31 H new ATOM 771 N LYS A 387 5.901 -9.730 -0.275 1.00 0.11 N ATOM 772 CA LYS A 387 5.623 -9.046 -1.543 1.00 0.09 C ATOM 773 C LYS A 387 4.987 -10.032 -2.511 1.00 0.08 C ATOM 774 O LYS A 387 5.371 -11.201 -2.555 1.00 0.13 O ATOM 775 CB LYS A 387 6.912 -8.468 -2.155 1.00 0.13 C ATOM 776 CG LYS A 387 8.198 -8.880 -1.458 1.00 0.38 C ATOM 777 CD LYS A 387 8.448 -10.355 -1.622 1.00 0.20 C ATOM 778 CE LYS A 387 9.031 -10.695 -2.969 1.00 0.40 C ATOM 779 NZ LYS A 387 10.322 -10.000 -3.231 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.785 -10.239 -0.272 1.00 0.11 H new ATOM 0 HA LYS A 387 4.941 -8.218 -1.353 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.969 -8.775 -3.199 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.844 -7.380 -2.145 1.00 0.13 H new ATOM 0 HG2 LYS A 387 9.036 -8.317 -1.869 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.137 -8.633 -0.398 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.127 -10.694 -0.840 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.511 -10.896 -1.488 1.00 0.20 H new ATOM 0 HE2 LYS A 387 9.184 -11.772 -3.032 1.00 0.40 H new ATOM 0 HE3 LYS A 387 8.316 -10.429 -3.747 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 10.201 -9.327 -4.015 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.620 -9.487 -2.377 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 11.048 -10.700 -3.485 1.00 1.12 H new ATOM 793 N GLU A 388 4.023 -9.548 -3.288 1.00 0.09 N ATOM 794 CA GLU A 388 3.153 -10.419 -4.072 1.00 0.10 C ATOM 795 C GLU A 388 3.084 -10.086 -5.546 1.00 0.10 C ATOM 796 O GLU A 388 3.359 -8.971 -5.972 1.00 0.10 O ATOM 797 CB GLU A 388 1.752 -10.320 -3.522 1.00 0.09 C ATOM 798 CG GLU A 388 1.466 -11.289 -2.452 1.00 0.15 C ATOM 799 CD GLU A 388 1.586 -12.732 -2.894 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.592 -13.289 -3.406 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.671 -13.323 -2.716 1.00 0.71 O1- ATOM 0 H GLU A 388 3.824 -8.553 -3.392 1.00 0.09 H new ATOM 0 HA GLU A 388 3.581 -11.418 -3.990 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.592 -9.312 -3.139 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.041 -10.469 -4.335 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.150 -11.114 -1.622 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.458 -11.115 -2.076 1.00 0.15 H new ATOM 808 N GLU A 389 2.656 -11.094 -6.285 1.00 0.10 N ATOM 809 CA GLU A 389 2.391 -11.015 -7.699 1.00 0.11 C ATOM 810 C GLU A 389 1.107 -11.747 -7.996 1.00 0.16 C ATOM 811 O GLU A 389 0.952 -12.905 -7.603 1.00 0.28 O ATOM 812 CB GLU A 389 3.493 -11.656 -8.506 1.00 0.14 C ATOM 813 CG GLU A 389 4.726 -10.816 -8.624 1.00 0.16 C ATOM 814 CD GLU A 389 5.794 -11.504 -9.446 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.136 -12.664 -9.134 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.316 -10.877 -10.391 1.00 0.38 O ATOM 0 H GLU A 389 2.479 -12.021 -5.897 1.00 0.10 H new ATOM 0 HA GLU A 389 2.323 -9.962 -7.971 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.757 -12.609 -8.049 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.118 -11.875 -9.506 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.473 -9.860 -9.083 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.115 -10.599 -7.629 1.00 0.16 H new ATOM 823 N ASP A 390 0.208 -11.075 -8.685 1.00 0.12 N ATOM 824 CA ASP A 390 -1.083 -11.641 -9.036 1.00 0.15 C ATOM 825 C ASP A 390 -1.767 -12.144 -7.761 1.00 0.16 C ATOM 826 O ASP A 390 -2.314 -13.245 -7.674 1.00 0.25 O ATOM 827 CB ASP A 390 -0.856 -12.730 -10.074 1.00 0.19 C ATOM 828 CG ASP A 390 -2.137 -13.365 -10.580 1.00 0.28 C ATOM 829 OD1 ASP A 390 -2.989 -12.638 -11.135 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.287 -14.598 -10.453 1.00 0.36 O1- ATOM 0 H ASP A 390 0.349 -10.121 -9.018 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.751 -10.902 -9.478 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.312 -12.307 -10.919 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.222 -13.505 -9.642 1.00 0.19 H new ATOM 835 N ALA A 391 -1.681 -11.266 -6.768 1.00 0.12 N ATOM 836 CA ALA A 391 -2.231 -11.455 -5.442 1.00 0.11 C ATOM 837 C ALA A 391 -3.703 -11.156 -5.463 1.00 0.10 C ATOM 838 O ALA A 391 -4.205 -10.613 -6.430 1.00 0.11 O ATOM 839 CB ALA A 391 -1.567 -10.482 -4.506 1.00 0.10 C ATOM 0 H ALA A 391 -1.206 -10.370 -6.875 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.064 -12.482 -5.118 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -1.970 -10.611 -3.501 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.493 -10.666 -4.492 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.757 -9.464 -4.845 1.00 0.10 H new ATOM 845 N THR A 392 -4.402 -11.510 -4.421 1.00 0.11 N ATOM 846 CA THR A 392 -5.775 -11.083 -4.309 1.00 0.11 C ATOM 847 C THR A 392 -6.079 -10.515 -2.942 1.00 0.11 C ATOM 848 O THR A 392 -5.964 -11.185 -1.916 1.00 0.14 O ATOM 849 CB THR A 392 -6.774 -12.196 -4.658 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.405 -12.818 -5.898 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.171 -11.616 -4.781 1.00 0.15 C ATOM 0 H THR A 392 -4.056 -12.081 -3.650 1.00 0.11 H new ATOM 0 HA THR A 392 -5.898 -10.290 -5.046 1.00 0.11 H new ATOM 0 HB THR A 392 -6.760 -12.942 -3.863 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.047 -13.527 -6.112 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.874 -12.411 -5.029 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.459 -11.158 -3.835 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.184 -10.862 -5.568 1.00 0.15 H new ATOM 859 N LEU A 393 -6.465 -9.267 -2.966 1.00 0.10 N ATOM 860 CA LEU A 393 -6.807 -8.516 -1.770 1.00 0.12 C ATOM 861 C LEU A 393 -8.179 -8.851 -1.266 1.00 0.15 C ATOM 862 O LEU A 393 -9.177 -8.232 -1.628 1.00 0.16 O ATOM 863 CB LEU A 393 -6.725 -7.053 -2.094 1.00 0.11 C ATOM 864 CG LEU A 393 -5.353 -6.414 -2.021 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.314 -7.349 -2.569 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.359 -5.151 -2.833 1.00 0.51 C ATOM 0 H LEU A 393 -6.555 -8.728 -3.827 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.104 -8.780 -0.980 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.116 -6.905 -3.101 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.386 -6.517 -1.414 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.116 -6.192 -0.980 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.333 -6.877 -2.511 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.309 -8.270 -1.986 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.544 -7.580 -3.609 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.375 -4.684 -2.786 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.600 -5.386 -3.870 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.106 -4.465 -2.433 1.00 0.51 H new ATOM 878 N LYS A 394 -8.200 -9.840 -0.446 1.00 0.18 N ATOM 879 CA LYS A 394 -9.402 -10.302 0.185 1.00 0.23 C ATOM 880 C LYS A 394 -9.543 -9.865 1.610 1.00 0.29 C ATOM 881 O LYS A 394 -8.680 -9.183 2.171 1.00 0.29 O ATOM 882 CB LYS A 394 -9.344 -11.766 0.121 1.00 0.25 C ATOM 883 CG LYS A 394 -9.320 -12.202 -1.267 1.00 0.23 C ATOM 884 CD LYS A 394 -9.772 -13.565 -1.335 1.00 0.27 C ATOM 885 CE LYS A 394 -9.143 -14.131 -2.527 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.422 -15.578 -2.721 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.368 -10.368 -0.184 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.264 -9.879 -0.330 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.455 -12.126 0.639 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.206 -12.195 0.631 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -9.960 -11.562 -1.874 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.311 -12.119 -1.671 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.485 -14.118 -0.441 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -10.859 -13.614 -1.405 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.488 -13.583 -3.404 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.065 -13.983 -2.463 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -8.945 -15.911 -3.583 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.069 -16.113 -1.902 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.447 -15.724 -2.814 1.00 0.33 H new ATOM 900 N GLY A 395 -10.662 -10.247 2.177 1.00 0.34 N ATOM 901 CA GLY A 395 -10.947 -9.871 3.527 1.00 0.41 C ATOM 902 C GLY A 395 -12.382 -9.480 3.694 1.00 0.46 C ATOM 903 O GLY A 395 -13.220 -9.809 2.851 1.00 0.43 O ATOM 0 H GLY A 395 -11.380 -10.813 1.724 1.00 0.34 H new ATOM 0 HA2 GLY A 395 -10.715 -10.701 4.194 1.00 0.41 H new ATOM 0 HA3 GLY A 395 -10.306 -9.039 3.818 1.00 0.41 H new ATOM 907 N THR A 396 -12.677 -8.759 4.755 1.00 0.53 N ATOM 908 CA THR A 396 -13.982 -8.182 4.897 1.00 0.58 C ATOM 909 C THR A 396 -13.907 -6.672 4.885 1.00 0.61 C ATOM 910 O THR A 396 -12.932 -6.083 5.341 1.00 0.66 O ATOM 911 CB THR A 396 -14.702 -8.623 6.180 1.00 0.67 C ATOM 912 OG1 THR A 396 -14.396 -9.988 6.489 1.00 0.69 O ATOM 913 CG2 THR A 396 -16.186 -8.475 5.985 1.00 0.71 C ATOM 0 H THR A 396 -12.033 -8.564 5.521 1.00 0.53 H new ATOM 0 HA THR A 396 -14.557 -8.544 4.044 1.00 0.58 H new ATOM 0 HB THR A 396 -14.366 -7.997 7.007 1.00 0.67 H new ATOM 0 HG1 THR A 396 -14.862 -10.250 7.310 1.00 0.69 H new ATOM 0 HG21 THR A 396 -16.705 -8.786 6.892 1.00 0.71 H new ATOM 0 HG22 THR A 396 -16.423 -7.433 5.771 1.00 0.71 H new ATOM 0 HG23 THR A 396 -16.507 -9.099 5.151 1.00 0.71 H new ATOM 921 N ASN A 397 -14.914 -6.061 4.293 1.00 0.62 N ATOM 922 CA ASN A 397 -15.143 -4.649 4.447 1.00 0.71 C ATOM 923 C ASN A 397 -15.370 -4.337 5.901 1.00 0.84 C ATOM 924 O ASN A 397 -15.857 -5.178 6.657 1.00 0.84 O ATOM 925 CB ASN A 397 -16.366 -4.258 3.642 1.00 0.72 C ATOM 926 CG ASN A 397 -15.983 -3.737 2.282 1.00 0.69 C ATOM 927 OD1 ASN A 397 -15.823 -2.534 2.086 1.00 0.77 O ATOM 928 ND2 ASN A 397 -15.807 -4.644 1.335 1.00 0.59 N ATOM 0 H ASN A 397 -15.592 -6.533 3.694 1.00 0.62 H new ATOM 0 HA ASN A 397 -14.278 -4.090 4.091 1.00 0.71 H new ATOM 0 HB2 ASN A 397 -17.022 -5.121 3.531 1.00 0.72 H new ATOM 0 HB3 ASN A 397 -16.930 -3.496 4.180 1.00 0.72 H new ATOM 0 HD21 ASN A 397 -15.527 -4.355 0.398 1.00 0.59 H new ATOM 0 HD22 ASN A 397 -15.951 -5.632 1.542 1.00 0.59 H new ATOM 935 N ASP A 398 -15.027 -3.118 6.272 1.00 0.97 N ATOM 936 CA ASP A 398 -15.229 -2.616 7.623 1.00 1.13 C ATOM 937 C ASP A 398 -16.687 -2.651 8.034 1.00 1.15 C ATOM 938 O ASP A 398 -17.033 -2.283 9.156 1.00 1.25 O ATOM 939 CB ASP A 398 -14.751 -1.192 7.713 1.00 1.29 C ATOM 940 CG ASP A 398 -13.309 -1.084 8.153 1.00 1.90 C ATOM 941 OD1 ASP A 398 -13.000 -1.471 9.300 1.00 2.27 O1- ATOM 942 OD2 ASP A 398 -12.475 -0.611 7.353 1.00 2.28 O ATOM 0 H ASP A 398 -14.597 -2.441 5.642 1.00 0.97 H new ATOM 0 HA ASP A 398 -14.662 -3.264 8.292 1.00 1.13 H new ATOM 0 HB2 ASP A 398 -14.866 -0.713 6.741 1.00 1.29 H new ATOM 0 HB3 ASP A 398 -15.382 -0.646 8.414 1.00 1.29 H new ATOM 947 N ASP A 399 -17.540 -3.068 7.118 1.00 1.06 N ATOM 948 CA ASP A 399 -18.956 -3.100 7.372 1.00 1.09 C ATOM 949 C ASP A 399 -19.460 -4.518 7.378 1.00 1.01 C ATOM 950 O ASP A 399 -20.653 -4.775 7.548 1.00 1.05 O ATOM 951 CB ASP A 399 -19.734 -2.338 6.324 1.00 1.09 C ATOM 952 CG ASP A 399 -19.275 -0.907 6.139 1.00 1.65 C ATOM 953 OD1 ASP A 399 -19.766 -0.021 6.868 1.00 2.15 O ATOM 954 OD2 ASP A 399 -18.437 -0.655 5.248 1.00 2.27 O1- ATOM 0 H ASP A 399 -17.269 -3.390 6.189 1.00 1.06 H new ATOM 0 HA ASP A 399 -19.107 -2.633 8.345 1.00 1.09 H new ATOM 0 HB2 ASP A 399 -19.651 -2.862 5.372 1.00 1.09 H new ATOM 0 HB3 ASP A 399 -20.789 -2.338 6.597 1.00 1.09 H new ATOM 959 N GLY A 400 -18.532 -5.440 7.175 1.00 0.94 N ATOM 960 CA GLY A 400 -18.847 -6.824 7.326 1.00 0.92 C ATOM 961 C GLY A 400 -19.152 -7.502 6.031 1.00 0.84 C ATOM 962 O GLY A 400 -19.714 -8.593 6.003 1.00 0.90 O ATOM 0 H GLY A 400 -17.567 -5.243 6.908 1.00 0.94 H new ATOM 0 HA2 GLY A 400 -18.009 -7.331 7.806 1.00 0.92 H new ATOM 0 HA3 GLY A 400 -19.704 -6.924 7.992 1.00 0.92 H new ATOM 966 N THR A 401 -18.739 -6.869 4.969 1.00 0.76 N ATOM 967 CA THR A 401 -19.038 -7.336 3.637 1.00 0.68 C ATOM 968 C THR A 401 -17.752 -7.803 2.947 1.00 0.60 C ATOM 969 O THR A 401 -16.932 -6.999 2.499 1.00 0.57 O ATOM 970 CB THR A 401 -19.756 -6.224 2.842 1.00 0.70 C ATOM 971 OG1 THR A 401 -18.840 -5.224 2.391 1.00 0.69 O ATOM 972 CG2 THR A 401 -20.785 -5.559 3.733 1.00 0.81 C ATOM 0 H THR A 401 -18.185 -6.013 4.998 1.00 0.76 H new ATOM 0 HA THR A 401 -19.711 -8.192 3.686 1.00 0.68 H new ATOM 0 HB THR A 401 -20.226 -6.685 1.974 1.00 0.70 H new ATOM 0 HG1 THR A 401 -18.028 -5.654 2.049 1.00 0.69 H new ATOM 0 HG21 THR A 401 -21.295 -4.773 3.176 1.00 0.81 H new ATOM 0 HG22 THR A 401 -21.513 -6.300 4.064 1.00 0.81 H new ATOM 0 HG23 THR A 401 -20.289 -5.125 4.601 1.00 0.81 H new ATOM 980 N PRO A 402 -17.525 -9.121 2.918 1.00 0.57 N ATOM 981 CA PRO A 402 -16.308 -9.704 2.357 1.00 0.50 C ATOM 982 C PRO A 402 -16.092 -9.355 0.911 1.00 0.44 C ATOM 983 O PRO A 402 -17.034 -9.084 0.162 1.00 0.46 O ATOM 984 CB PRO A 402 -16.526 -11.191 2.512 1.00 0.53 C ATOM 985 CG PRO A 402 -17.980 -11.367 2.701 1.00 0.60 C ATOM 986 CD PRO A 402 -18.427 -10.159 3.433 1.00 0.63 C ATOM 0 HA PRO A 402 -15.420 -9.328 2.864 1.00 0.50 H new ATOM 0 HB2 PRO A 402 -16.178 -11.731 1.632 1.00 0.53 H new ATOM 0 HB3 PRO A 402 -15.971 -11.581 3.365 1.00 0.53 H new ATOM 0 HG2 PRO A 402 -18.493 -11.459 1.744 1.00 0.60 H new ATOM 0 HG3 PRO A 402 -18.196 -12.273 3.267 1.00 0.60 H new ATOM 0 HD2 PRO A 402 -19.472 -9.925 3.230 1.00 0.63 H new ATOM 0 HD3 PRO A 402 -18.332 -10.280 4.512 1.00 0.63 H new ATOM 994 N TYR A 403 -14.834 -9.353 0.533 1.00 0.37 N ATOM 995 CA TYR A 403 -14.453 -8.848 -0.770 1.00 0.33 C ATOM 996 C TYR A 403 -13.195 -9.491 -1.292 1.00 0.27 C ATOM 997 O TYR A 403 -12.498 -10.213 -0.577 1.00 0.27 O ATOM 998 CB TYR A 403 -14.221 -7.342 -0.719 1.00 0.35 C ATOM 999 CG TYR A 403 -13.038 -6.950 0.144 1.00 0.35 C ATOM 1000 CD1 TYR A 403 -13.126 -6.949 1.532 1.00 0.40 C ATOM 1001 CD2 TYR A 403 -11.824 -6.581 -0.437 1.00 0.32 C ATOM 1002 CE1 TYR A 403 -12.035 -6.589 2.307 1.00 0.42 C ATOM 1003 CE2 TYR A 403 -10.739 -6.222 0.336 1.00 0.33 C ATOM 1004 CZ TYR A 403 -10.850 -6.225 1.705 1.00 0.37 C ATOM 1005 OH TYR A 403 -9.768 -5.871 2.476 1.00 0.41 O ATOM 0 H TYR A 403 -14.060 -9.693 1.104 1.00 0.37 H new ATOM 0 HA TYR A 403 -15.279 -9.090 -1.439 1.00 0.33 H new ATOM 0 HB2 TYR A 403 -14.063 -6.971 -1.732 1.00 0.35 H new ATOM 0 HB3 TYR A 403 -15.118 -6.855 -0.337 1.00 0.35 H new ATOM 0 HD1 TYR A 403 -14.052 -7.231 2.010 1.00 0.40 H new ATOM 0 HD2 TYR A 403 -11.732 -6.576 -1.513 1.00 0.32 H new ATOM 0 HE1 TYR A 403 -12.114 -6.594 3.384 1.00 0.42 H new ATOM 0 HE2 TYR A 403 -9.808 -5.940 -0.133 1.00 0.33 H new ATOM 0 HH TYR A 403 -9.233 -6.668 2.675 1.00 0.41 H new ATOM 1015 N GLU A 404 -12.899 -9.161 -2.531 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.656 -9.541 -3.164 1.00 0.21 C ATOM 1017 C GLU A 404 -11.202 -8.456 -4.113 1.00 0.20 C ATOM 1018 O GLU A 404 -12.016 -7.753 -4.708 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.808 -10.835 -3.949 1.00 0.22 C ATOM 1020 CG GLU A 404 -11.881 -12.074 -3.086 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.159 -12.861 -3.268 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.378 -13.395 -4.374 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -13.943 -12.958 -2.303 1.00 0.53 O ATOM 0 H GLU A 404 -13.519 -8.617 -3.131 1.00 0.25 H new ATOM 0 HA GLU A 404 -10.919 -9.686 -2.374 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.711 -10.775 -4.557 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -10.967 -10.932 -4.636 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.032 -12.717 -3.315 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -11.788 -11.784 -2.039 1.00 0.24 H new ATOM 1030 N SER A 405 -9.901 -8.305 -4.233 1.00 0.16 N ATOM 1031 CA SER A 405 -9.342 -7.421 -5.218 1.00 0.15 C ATOM 1032 C SER A 405 -8.077 -8.031 -5.736 1.00 0.13 C ATOM 1033 O SER A 405 -7.018 -7.906 -5.125 1.00 0.11 O ATOM 1034 CB SER A 405 -9.004 -6.069 -4.614 1.00 0.15 C ATOM 1035 OG SER A 405 -9.766 -5.820 -3.440 1.00 0.19 O ATOM 0 H SER A 405 -9.212 -8.788 -3.656 1.00 0.16 H new ATOM 0 HA SER A 405 -10.074 -7.278 -6.013 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.941 -6.031 -4.375 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.194 -5.284 -5.346 1.00 0.15 H new ATOM 0 HG SER A 405 -9.525 -4.944 -3.074 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.169 -8.701 -6.864 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.037 -9.349 -7.460 1.00 0.14 C ATOM 1043 C PRO A 406 -6.057 -8.327 -7.962 1.00 0.13 C ATOM 1044 O PRO A 406 -6.310 -7.582 -8.911 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.640 -10.208 -8.567 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.084 -10.244 -8.241 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.375 -8.915 -7.639 1.00 0.18 C ATOM 0 HA PRO A 406 -6.463 -9.962 -6.765 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.463 -9.774 -9.551 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.207 -11.208 -8.577 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.686 -10.414 -9.134 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.312 -11.051 -7.545 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.524 -8.143 -8.394 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.270 -8.930 -7.017 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.949 -8.313 -7.282 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.963 -7.301 -7.401 1.00 0.09 C ATOM 1057 C VAL A 407 -2.735 -7.924 -8.045 1.00 0.11 C ATOM 1058 O VAL A 407 -2.549 -9.130 -7.991 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.710 -6.788 -5.971 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.432 -7.251 -5.365 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.915 -5.308 -5.824 1.00 0.08 C ATOM 0 H VAL A 407 -4.706 -9.037 -6.606 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.258 -6.459 -8.028 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.490 -7.266 -5.379 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.337 -6.842 -4.359 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.426 -8.340 -5.316 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.596 -6.911 -5.975 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.720 -5.014 -4.793 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.231 -4.778 -6.487 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.943 -5.055 -6.085 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.931 -7.125 -8.687 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.804 -7.642 -9.440 1.00 0.12 C ATOM 1073 C ASN A 408 0.378 -7.788 -8.527 1.00 0.10 C ATOM 1074 O ASN A 408 1.293 -8.559 -8.800 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.494 -6.695 -10.582 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.608 -6.684 -11.601 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.542 -7.361 -12.626 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.654 -5.941 -11.305 1.00 0.38 N ATOM 0 H ASN A 408 -2.028 -6.110 -8.709 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.043 -8.622 -9.854 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.344 -5.688 -10.192 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.438 -6.993 -11.062 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.454 -5.911 -11.938 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.665 -5.396 -10.443 1.00 0.38 H new ATOM 1085 N TYR A 409 0.320 -7.066 -7.425 1.00 0.08 N ATOM 1086 CA TYR A 409 1.440 -6.926 -6.513 1.00 0.06 C ATOM 1087 C TYR A 409 0.904 -6.472 -5.173 1.00 0.06 C ATOM 1088 O TYR A 409 0.194 -5.471 -5.088 1.00 0.06 O ATOM 1089 CB TYR A 409 2.496 -5.930 -7.027 1.00 0.06 C ATOM 1090 CG TYR A 409 3.144 -6.344 -8.332 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.618 -5.950 -9.554 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.310 -7.094 -8.332 1.00 0.11 C ATOM 1093 CE1 TYR A 409 3.235 -6.302 -10.741 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.936 -7.440 -9.509 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.268 -7.163 -10.737 1.00 0.17 C ATOM 1096 OH TYR A 409 5.016 -7.389 -11.890 1.00 0.27 O ATOM 0 H TYR A 409 -0.513 -6.555 -7.134 1.00 0.08 H new ATOM 0 HA TYR A 409 1.940 -7.891 -6.426 1.00 0.06 H new ATOM 0 HB2 TYR A 409 2.028 -4.954 -7.158 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.270 -5.813 -6.269 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.714 -5.360 -9.579 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.735 -7.413 -7.392 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.886 -5.884 -11.674 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.909 -7.909 -9.502 1.00 0.17 H new ATOM 0 HH TYR A 409 5.722 -8.041 -11.699 1.00 0.27 H new ATOM 1106 N TRP A 410 1.264 -7.187 -4.137 1.00 0.06 N ATOM 1107 CA TRP A 410 0.619 -7.041 -2.850 1.00 0.06 C ATOM 1108 C TRP A 410 1.613 -7.182 -1.727 1.00 0.06 C ATOM 1109 O TRP A 410 2.432 -8.089 -1.707 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.465 -8.099 -2.762 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.106 -8.286 -1.442 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.289 -9.465 -0.842 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.667 -7.297 -0.594 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -1.963 -9.292 0.346 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.205 -7.945 0.522 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.763 -5.931 -0.689 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.846 -7.236 1.552 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.381 -5.224 0.304 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -2.924 -5.869 1.421 1.00 0.07 C ATOM 0 H TRP A 410 2.008 -7.884 -4.158 1.00 0.06 H new ATOM 0 HA TRP A 410 0.183 -6.047 -2.754 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.242 -7.851 -3.485 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.036 -9.052 -3.070 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.957 -10.416 -1.232 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.237 -10.035 0.988 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.352 -5.417 -1.545 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.260 -7.743 2.411 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.452 -4.149 0.225 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.410 -5.286 2.189 1.00 0.07 H new ATOM 1130 N MET A 411 1.563 -6.250 -0.817 1.00 0.08 N ATOM 1131 CA MET A 411 2.373 -6.313 0.364 1.00 0.09 C ATOM 1132 C MET A 411 1.460 -6.425 1.558 1.00 0.12 C ATOM 1133 O MET A 411 1.059 -5.405 2.123 1.00 0.14 O ATOM 1134 CB MET A 411 3.208 -5.053 0.504 1.00 0.10 C ATOM 1135 CG MET A 411 3.944 -4.641 -0.747 1.00 0.09 C ATOM 1136 SD MET A 411 5.068 -5.904 -1.334 1.00 0.06 S ATOM 1137 CE MET A 411 5.999 -4.960 -2.519 1.00 0.06 C ATOM 0 H MET A 411 0.961 -5.428 -0.874 1.00 0.08 H new ATOM 0 HA MET A 411 3.040 -7.172 0.299 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.557 -4.235 0.812 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.934 -5.202 1.304 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.221 -4.411 -1.530 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.503 -3.726 -0.550 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.613 -5.151 -3.520 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.907 -3.898 -2.291 1.00 0.06 H new ATOM 0 HE3 MET A 411 7.048 -5.251 -2.473 1.00 0.06 H new ATOM 1147 N PRO A 412 1.055 -7.649 1.932 1.00 0.13 N ATOM 1148 CA PRO A 412 0.274 -7.837 3.124 1.00 0.19 C ATOM 1149 C PRO A 412 1.045 -7.326 4.312 1.00 0.25 C ATOM 1150 O PRO A 412 2.149 -7.780 4.590 1.00 0.50 O ATOM 1151 CB PRO A 412 0.031 -9.347 3.216 1.00 0.24 C ATOM 1152 CG PRO A 412 1.031 -9.954 2.293 1.00 0.23 C ATOM 1153 CD PRO A 412 1.320 -8.917 1.242 1.00 0.16 C ATOM 0 HA PRO A 412 -0.671 -7.294 3.103 1.00 0.19 H new ATOM 0 HB2 PRO A 412 0.165 -9.707 4.236 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -0.986 -9.602 2.919 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.940 -10.227 2.830 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.640 -10.866 1.842 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.351 -8.976 0.892 1.00 0.16 H new ATOM 0 HD3 PRO A 412 0.679 -9.041 0.369 1.00 0.16 H new ATOM 1161 N ILE A 413 0.489 -6.342 4.965 1.00 0.17 N ATOM 1162 CA ILE A 413 1.069 -5.805 6.168 1.00 0.22 C ATOM 1163 C ILE A 413 0.042 -6.001 7.270 1.00 0.37 C ATOM 1164 O ILE A 413 -0.133 -5.199 8.189 1.00 0.88 O ATOM 1165 CB ILE A 413 1.458 -4.323 5.960 1.00 0.18 C ATOM 1166 CG1 ILE A 413 0.232 -3.424 5.942 1.00 0.18 C ATOM 1167 CG2 ILE A 413 2.199 -4.159 4.642 1.00 0.15 C ATOM 1168 CD1 ILE A 413 0.522 -2.038 5.409 1.00 0.16 C ATOM 0 H ILE A 413 -0.379 -5.889 4.679 1.00 0.17 H new ATOM 0 HA ILE A 413 1.993 -6.315 6.441 1.00 0.22 H new ATOM 0 HB ILE A 413 2.097 -4.032 6.794 1.00 0.18 H new ATOM 0 HG12 ILE A 413 -0.542 -3.887 5.331 1.00 0.18 H new ATOM 0 HG13 ILE A 413 -0.166 -3.342 6.953 1.00 0.18 H new ATOM 0 HG21 ILE A 413 2.469 -3.112 4.504 1.00 0.15 H new ATOM 0 HG22 ILE A 413 3.103 -4.768 4.655 1.00 0.15 H new ATOM 0 HG23 ILE A 413 1.557 -4.479 3.821 1.00 0.15 H new ATOM 0 HD11 ILE A 413 -0.392 -1.445 5.421 1.00 0.16 H new ATOM 0 HD12 ILE A 413 1.275 -1.558 6.034 1.00 0.16 H new ATOM 0 HD13 ILE A 413 0.893 -2.112 4.387 1.00 0.16 H new ATOM 1180 N ASP A 414 -0.581 -7.159 7.175 1.00 0.65 N ATOM 1181 CA ASP A 414 -1.864 -7.411 7.790 1.00 0.84 C ATOM 1182 C ASP A 414 -1.732 -8.000 9.184 1.00 0.90 C ATOM 1183 O ASP A 414 -1.110 -9.044 9.383 1.00 1.48 O ATOM 1184 CB ASP A 414 -2.633 -8.369 6.885 1.00 1.53 C ATOM 1185 CG ASP A 414 -4.018 -8.704 7.408 1.00 2.06 C ATOM 1186 OD1 ASP A 414 -4.858 -7.787 7.518 1.00 2.33 O ATOM 1187 OD2 ASP A 414 -4.268 -9.888 7.720 1.00 2.49 O1- ATOM 0 H ASP A 414 -0.205 -7.957 6.663 1.00 0.65 H new ATOM 0 HA ASP A 414 -2.393 -6.465 7.904 1.00 0.84 H new ATOM 0 HB2 ASP A 414 -2.724 -7.927 5.893 1.00 1.53 H new ATOM 0 HB3 ASP A 414 -2.061 -9.290 6.773 1.00 1.53 H new ATOM 1192 N TRP A 415 -2.382 -7.304 10.109 1.00 0.81 N ATOM 1193 CA TRP A 415 -2.423 -7.593 11.544 1.00 1.12 C ATOM 1194 C TRP A 415 -2.717 -6.275 12.245 1.00 0.88 C ATOM 1195 O TRP A 415 -3.204 -6.228 13.376 1.00 1.14 O ATOM 1196 CB TRP A 415 -1.130 -8.234 12.100 1.00 1.66 C ATOM 1197 CG TRP A 415 0.135 -7.436 11.943 1.00 1.44 C ATOM 1198 CD1 TRP A 415 0.400 -6.189 12.431 1.00 1.66 C ATOM 1199 CD2 TRP A 415 1.334 -7.870 11.290 1.00 1.39 C ATOM 1200 NE1 TRP A 415 1.674 -5.810 12.097 1.00 1.92 N ATOM 1201 CE2 TRP A 415 2.269 -6.828 11.400 1.00 1.61 C ATOM 1202 CE3 TRP A 415 1.705 -9.037 10.613 1.00 1.49 C ATOM 1203 CZ2 TRP A 415 3.546 -6.922 10.863 1.00 1.72 C ATOM 1204 CZ3 TRP A 415 2.969 -9.127 10.084 1.00 1.40 C ATOM 1205 CH2 TRP A 415 3.875 -8.079 10.211 1.00 1.42 C ATOM 0 H TRP A 415 -2.926 -6.476 9.868 1.00 0.81 H new ATOM 0 HA TRP A 415 -3.195 -8.340 11.728 1.00 1.12 H new ATOM 0 HB2 TRP A 415 -1.278 -8.435 13.161 1.00 1.66 H new ATOM 0 HB3 TRP A 415 -0.989 -9.197 11.610 1.00 1.66 H new ATOM 0 HD1 TRP A 415 -0.294 -5.588 12.999 1.00 1.66 H new ATOM 0 HE1 TRP A 415 2.108 -4.917 12.329 1.00 1.92 H new ATOM 0 HE3 TRP A 415 1.008 -9.855 10.508 1.00 1.49 H new ATOM 0 HZ2 TRP A 415 4.254 -6.112 10.957 1.00 1.72 H new ATOM 0 HZ3 TRP A 415 3.264 -10.025 9.561 1.00 1.40 H new ATOM 0 HH2 TRP A 415 4.862 -8.181 9.785 1.00 1.42 H new ATOM 1216 N THR A 416 -2.385 -5.195 11.539 1.00 0.62 N ATOM 1217 CA THR A 416 -2.726 -3.851 11.963 1.00 0.61 C ATOM 1218 C THR A 416 -3.884 -3.318 11.112 1.00 0.52 C ATOM 1219 O THR A 416 -4.669 -2.485 11.568 1.00 0.71 O ATOM 1220 CB THR A 416 -1.499 -2.903 11.881 1.00 0.76 C ATOM 1221 OG1 THR A 416 -1.858 -1.580 12.297 1.00 0.82 O ATOM 1222 CG2 THR A 416 -0.919 -2.856 10.472 1.00 0.95 C ATOM 0 H THR A 416 -1.872 -5.234 10.658 1.00 0.62 H new ATOM 0 HA THR A 416 -3.039 -3.887 13.007 1.00 0.61 H new ATOM 0 HB THR A 416 -0.737 -3.300 12.552 1.00 0.76 H new ATOM 0 HG1 THR A 416 -1.074 -0.995 12.241 1.00 0.82 H new ATOM 0 HG21 THR A 416 -0.062 -2.183 10.454 1.00 0.95 H new ATOM 0 HG22 THR A 416 -0.601 -3.856 10.176 1.00 0.95 H new ATOM 0 HG23 THR A 416 -1.678 -2.496 9.778 1.00 0.95 H new ATOM 1230 N GLY A 417 -3.979 -3.802 9.873 1.00 0.42 N ATOM 1231 CA GLY A 417 -5.135 -3.513 9.044 1.00 0.48 C ATOM 1232 C GLY A 417 -4.752 -3.173 7.621 1.00 0.49 C ATOM 1233 O GLY A 417 -5.186 -3.836 6.681 1.00 0.68 O ATOM 0 H GLY A 417 -3.273 -4.390 9.430 1.00 0.42 H new ATOM 0 HA2 GLY A 417 -5.802 -4.375 9.042 1.00 0.48 H new ATOM 0 HA3 GLY A 417 -5.690 -2.681 9.477 1.00 0.48 H new ATOM 1237 N VAL A 418 -3.922 -2.144 7.488 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.466 -1.614 6.195 1.00 0.26 C ATOM 1239 C VAL A 418 -2.821 -2.693 5.307 1.00 0.24 C ATOM 1240 O VAL A 418 -2.626 -3.832 5.727 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.445 -0.476 6.438 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.053 0.259 5.153 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.000 0.507 7.442 1.00 0.75 C ATOM 0 H VAL A 418 -3.536 -1.641 8.287 1.00 0.32 H new ATOM 0 HA VAL A 418 -4.345 -1.241 5.669 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.539 -0.941 6.827 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.335 1.045 5.388 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.603 -0.446 4.454 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.941 0.702 4.702 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.276 1.305 7.608 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -3.928 0.932 7.060 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.197 -0.006 8.383 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.510 -2.319 4.070 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.731 -3.156 3.193 1.00 0.18 C ATOM 1255 C GLY A 419 -1.496 -2.470 1.879 1.00 0.14 C ATOM 1256 O GLY A 419 -2.433 -2.141 1.166 1.00 0.15 O ATOM 0 H GLY A 419 -2.794 -1.430 3.658 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.776 -3.393 3.661 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.249 -4.101 3.029 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.247 -2.247 1.560 1.00 0.10 N ATOM 1261 CA ILE A 420 0.097 -1.563 0.340 1.00 0.08 C ATOM 1262 C ILE A 420 0.062 -2.513 -0.848 1.00 0.08 C ATOM 1263 O ILE A 420 0.422 -3.685 -0.730 1.00 0.09 O ATOM 1264 CB ILE A 420 1.499 -0.966 0.447 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.460 0.318 1.267 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.076 -0.713 -0.928 1.00 0.08 C ATOM 1267 CD1 ILE A 420 2.445 0.321 2.398 1.00 0.29 C ATOM 0 H ILE A 420 0.550 -2.530 2.130 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.636 -0.771 0.188 1.00 0.08 H new ATOM 0 HB ILE A 420 2.147 -1.680 0.956 1.00 0.07 H new ATOM 0 HG12 ILE A 420 1.663 1.166 0.613 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.456 0.457 1.667 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.075 -0.288 -0.831 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.134 -1.653 -1.477 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.436 -0.016 -1.469 1.00 0.08 H new ATOM 0 HD11 ILE A 420 2.369 1.261 2.944 1.00 0.29 H new ATOM 0 HD12 ILE A 420 2.228 -0.508 3.071 1.00 0.29 H new ATOM 0 HD13 ILE A 420 3.455 0.212 2.002 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.368 -1.999 -1.991 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.549 -2.829 -3.166 1.00 0.06 C ATOM 1281 C HIS A 421 -0.550 -1.997 -4.429 1.00 0.07 C ATOM 1282 O HIS A 421 -0.769 -0.792 -4.383 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.877 -3.547 -3.051 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.062 -2.655 -3.026 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.599 -2.027 -4.124 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.814 -2.297 -1.973 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.645 -1.310 -3.708 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.824 -1.442 -2.403 1.00 0.08 N ATOM 0 H HIS A 421 -0.597 -1.014 -2.127 1.00 0.07 H new ATOM 0 HA HIS A 421 0.276 -3.539 -3.222 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.976 -4.237 -3.889 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.872 -4.148 -2.142 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.260 -2.096 -5.083 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.660 -2.621 -0.954 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.264 -0.702 -4.351 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.328 -2.654 -5.554 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.475 -2.014 -6.842 1.00 0.07 C ATOM 1298 C ASP A 422 -1.943 -2.104 -7.243 1.00 0.11 C ATOM 1299 O ASP A 422 -2.640 -3.019 -6.841 1.00 0.20 O ATOM 1300 CB ASP A 422 0.417 -2.701 -7.877 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.316 -3.752 -8.695 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.794 -4.739 -8.101 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.417 -3.591 -9.926 1.00 0.80 O ATOM 0 H ASP A 422 -0.045 -3.633 -5.598 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.169 -0.969 -6.788 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.829 -1.948 -8.549 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.260 -3.169 -7.368 1.00 0.09 H new ATOM 1308 N SER A 423 -2.420 -1.138 -7.986 1.00 0.09 N ATOM 1309 CA SER A 423 -3.843 -1.038 -8.265 1.00 0.11 C ATOM 1310 C SER A 423 -4.064 -0.791 -9.730 1.00 0.14 C ATOM 1311 O SER A 423 -4.051 0.340 -10.198 1.00 0.17 O ATOM 1312 CB SER A 423 -4.463 0.089 -7.426 1.00 0.14 C ATOM 1313 OG SER A 423 -5.821 0.277 -7.751 1.00 0.23 O ATOM 0 H SER A 423 -1.850 -0.407 -8.412 1.00 0.09 H new ATOM 0 HA SER A 423 -4.328 -1.977 -7.997 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.369 -0.149 -6.366 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.914 1.016 -7.594 1.00 0.14 H new ATOM 0 HG SER A 423 -6.382 -0.128 -7.057 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.324 -1.871 -10.438 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.468 -1.818 -11.878 1.00 0.21 C ATOM 1321 C ASP A 424 -5.874 -1.372 -12.227 1.00 0.24 C ATOM 1322 O ASP A 424 -6.177 -0.968 -13.349 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.142 -3.188 -12.462 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.553 -3.351 -13.912 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.898 -2.763 -14.796 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.527 -4.089 -14.173 1.00 0.37 O ATOM 0 H ASP A 424 -4.440 -2.801 -10.036 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.775 -1.095 -12.308 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.069 -3.363 -12.377 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.638 -3.954 -11.866 1.00 0.24 H new ATOM 1331 N TRP A 425 -6.723 -1.445 -11.211 1.00 0.24 N ATOM 1332 CA TRP A 425 -8.129 -1.127 -11.340 1.00 0.27 C ATOM 1333 C TRP A 425 -8.383 0.359 -11.149 1.00 0.30 C ATOM 1334 O TRP A 425 -9.404 0.874 -11.600 1.00 0.32 O ATOM 1335 CB TRP A 425 -8.944 -1.914 -10.310 1.00 0.25 C ATOM 1336 CG TRP A 425 -8.611 -1.560 -8.889 1.00 0.23 C ATOM 1337 CD1 TRP A 425 -8.941 -0.407 -8.245 1.00 0.25 C ATOM 1338 CD2 TRP A 425 -7.903 -2.362 -7.936 1.00 0.19 C ATOM 1339 NE1 TRP A 425 -8.447 -0.421 -6.966 1.00 0.23 N ATOM 1340 CE2 TRP A 425 -7.829 -1.619 -6.744 1.00 0.19 C ATOM 1341 CE3 TRP A 425 -7.319 -3.631 -7.971 1.00 0.16 C ATOM 1342 CZ2 TRP A 425 -7.203 -2.103 -5.605 1.00 0.17 C ATOM 1343 CZ3 TRP A 425 -6.699 -4.111 -6.839 1.00 0.14 C ATOM 1344 CH2 TRP A 425 -6.650 -3.348 -5.668 1.00 0.15 C ATOM 0 H TRP A 425 -6.449 -1.729 -10.270 1.00 0.24 H new ATOM 0 HA TRP A 425 -8.438 -1.404 -12.348 1.00 0.27 H new ATOM 0 HB2 TRP A 425 -10.005 -1.733 -10.482 1.00 0.25 H new ATOM 0 HB3 TRP A 425 -8.774 -2.980 -10.461 1.00 0.25 H new ATOM 0 HD1 TRP A 425 -9.510 0.402 -8.679 1.00 0.25 H new ATOM 0 HE1 TRP A 425 -8.528 0.339 -6.291 1.00 0.23 H new ATOM 0 HE3 TRP A 425 -7.353 -4.226 -8.872 1.00 0.16 H new ATOM 0 HZ2 TRP A 425 -7.155 -1.515 -4.700 1.00 0.17 H new ATOM 0 HZ3 TRP A 425 -6.244 -5.090 -6.856 1.00 0.14 H new ATOM 0 HH2 TRP A 425 -6.163 -3.754 -4.794 1.00 0.15 H new ATOM 1355 N GLN A 426 -7.477 1.045 -10.460 1.00 0.31 N ATOM 1356 CA GLN A 426 -7.682 2.458 -10.200 1.00 0.33 C ATOM 1357 C GLN A 426 -7.029 3.305 -11.260 1.00 0.36 C ATOM 1358 O GLN A 426 -5.875 3.094 -11.636 1.00 0.39 O ATOM 1359 CB GLN A 426 -7.236 2.890 -8.797 1.00 0.31 C ATOM 1360 CG GLN A 426 -8.180 3.901 -8.174 1.00 0.60 C ATOM 1361 CD GLN A 426 -7.600 4.579 -6.961 1.00 0.72 C ATOM 1362 OE1 GLN A 426 -6.806 4.000 -6.228 1.00 1.74 O ATOM 1363 NE2 GLN A 426 -8.000 5.821 -6.738 1.00 0.53 N ATOM 0 H GLN A 426 -6.615 0.654 -10.081 1.00 0.31 H new ATOM 0 HA GLN A 426 -8.759 2.619 -10.239 1.00 0.33 H new ATOM 0 HB2 GLN A 426 -7.172 2.013 -8.153 1.00 0.31 H new ATOM 0 HB3 GLN A 426 -6.235 3.318 -8.853 1.00 0.31 H new ATOM 0 HG2 GLN A 426 -8.437 4.656 -8.917 1.00 0.60 H new ATOM 0 HG3 GLN A 426 -9.107 3.400 -7.895 1.00 0.60 H new ATOM 0 HE21 GLN A 426 -8.662 6.265 -7.374 1.00 0.53 H new ATOM 0 HE22 GLN A 426 -7.646 6.334 -5.930 1.00 0.53 H new ATOM 1372 N PRO A 427 -7.786 4.242 -11.774 1.00 0.43 N ATOM 1373 CA PRO A 427 -7.311 5.196 -12.755 1.00 0.50 C ATOM 1374 C PRO A 427 -6.634 6.419 -12.134 1.00 0.32 C ATOM 1375 O PRO A 427 -5.733 7.009 -12.741 1.00 0.29 O ATOM 1376 CB PRO A 427 -8.598 5.576 -13.459 1.00 0.73 C ATOM 1377 CG PRO A 427 -9.619 5.524 -12.386 1.00 0.72 C ATOM 1378 CD PRO A 427 -9.211 4.411 -11.479 1.00 0.53 C ATOM 0 HA PRO A 427 -6.539 4.784 -13.405 1.00 0.50 H new ATOM 0 HB2 PRO A 427 -8.533 6.570 -13.901 1.00 0.73 H new ATOM 0 HB3 PRO A 427 -8.831 4.882 -14.267 1.00 0.73 H new ATOM 0 HG2 PRO A 427 -9.665 6.470 -11.846 1.00 0.72 H new ATOM 0 HG3 PRO A 427 -10.611 5.345 -12.801 1.00 0.72 H new ATOM 0 HD2 PRO A 427 -9.378 4.663 -10.432 1.00 0.53 H new ATOM 0 HD3 PRO A 427 -9.775 3.500 -11.681 1.00 0.53 H new ATOM 1386 N GLU A 428 -7.006 6.775 -10.909 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.437 7.941 -10.288 1.00 0.22 C ATOM 1388 C GLU A 428 -5.475 7.619 -9.175 1.00 0.21 C ATOM 1389 O GLU A 428 -5.568 6.599 -8.494 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.528 8.776 -9.669 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.445 7.973 -8.807 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.615 7.385 -9.549 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -10.240 8.103 -10.356 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.929 6.214 -9.303 1.00 2.16 O1- ATOM 0 H GLU A 428 -7.690 6.274 -10.342 1.00 0.31 H new ATOM 0 HA GLU A 428 -5.904 8.462 -11.084 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.079 9.571 -9.074 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -8.105 9.257 -10.459 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.878 7.166 -8.343 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.818 8.605 -8.001 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.550 8.540 -9.040 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.651 8.644 -7.921 1.00 0.14 C ATOM 1403 C TYR A 429 -3.203 10.074 -7.905 1.00 0.17 C ATOM 1404 O TYR A 429 -2.846 10.634 -8.942 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.404 7.769 -7.965 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.590 6.404 -8.555 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.854 6.244 -9.900 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.504 5.275 -7.756 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -3.031 4.986 -10.436 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.676 4.020 -8.280 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.924 3.897 -9.664 1.00 0.25 C ATOM 1412 OH TYR A 429 -3.131 2.627 -10.131 1.00 0.33 O ATOM 0 H TYR A 429 -4.399 9.267 -9.739 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.196 8.303 -7.041 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.636 8.291 -8.537 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -2.025 7.657 -6.949 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.923 7.112 -10.539 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.298 5.386 -6.702 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.258 4.878 -11.486 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.623 3.146 -7.648 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.822 2.189 -9.592 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.258 10.663 -6.766 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.884 12.046 -6.651 1.00 0.17 C ATOM 1424 C GLY A 430 -3.293 12.587 -5.332 1.00 0.17 C ATOM 1425 O GLY A 430 -3.463 11.816 -4.391 1.00 0.16 O ATOM 0 H GLY A 430 -3.556 10.221 -5.896 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.806 12.149 -6.774 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.352 12.623 -7.448 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.399 13.905 -5.237 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.016 14.503 -4.077 1.00 0.21 C ATOM 1431 C GLY A 431 -5.309 13.829 -3.730 1.00 0.19 C ATOM 1432 O GLY A 431 -5.840 13.026 -4.502 1.00 0.18 O ATOM 0 H GLY A 431 -3.070 14.566 -5.941 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.334 14.441 -3.229 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.196 15.561 -4.265 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.872 14.255 -2.638 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.763 13.428 -1.866 1.00 0.21 C ATOM 1438 C ASP A 432 -7.866 12.781 -2.689 1.00 0.18 C ATOM 1439 O ASP A 432 -8.871 13.379 -3.071 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.352 14.299 -0.768 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.133 15.501 -1.288 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.508 16.470 -1.763 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.386 15.470 -1.238 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.728 15.189 -2.253 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.193 12.595 -1.456 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.010 13.690 -0.148 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.546 14.652 -0.125 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.600 11.513 -2.966 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.555 10.583 -3.516 1.00 0.13 C ATOM 1450 C LEU A 433 -9.127 9.773 -2.371 1.00 0.12 C ATOM 1451 O LEU A 433 -10.295 9.446 -2.389 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.863 9.683 -4.543 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.202 10.424 -5.690 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -6.273 9.496 -6.410 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -8.235 10.970 -6.652 1.00 1.08 C ATOM 0 H LEU A 433 -6.682 11.097 -2.806 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.363 11.107 -4.027 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -7.109 9.084 -4.032 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.598 8.989 -4.952 1.00 0.15 H new ATOM 0 HG LEU A 433 -6.641 11.266 -5.284 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -5.797 10.026 -7.235 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -5.509 9.138 -5.720 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -6.836 8.648 -6.800 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -7.734 11.496 -7.464 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -8.822 10.148 -7.061 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -8.894 11.660 -6.125 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.308 9.424 -1.395 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.730 8.509 -0.328 1.00 0.10 C ATOM 1469 C TRP A 434 -10.075 8.903 0.269 1.00 0.11 C ATOM 1470 O TRP A 434 -10.889 8.052 0.607 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.643 8.434 0.746 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.381 9.741 1.394 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.526 10.704 0.964 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -7.994 10.238 2.576 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.607 11.797 1.782 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.494 11.526 2.790 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.931 9.721 3.470 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.905 12.305 3.857 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.333 10.496 4.525 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.825 11.779 4.709 1.00 0.16 C ATOM 0 H TRP A 434 -7.347 9.755 -1.312 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.867 7.519 -0.764 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.939 7.711 1.506 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.721 8.065 0.297 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.878 10.619 0.104 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.092 12.669 1.661 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.332 8.728 3.333 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.508 13.298 4.008 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.056 10.105 5.226 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.169 12.369 5.546 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.320 10.198 0.335 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.514 10.717 0.958 1.00 0.14 C ATOM 1493 C LYS A 435 -12.693 10.721 0.014 1.00 0.17 C ATOM 1494 O LYS A 435 -13.830 10.484 0.413 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.246 12.126 1.456 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.912 12.634 1.004 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.578 13.970 1.587 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.194 14.174 2.946 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.825 15.482 3.555 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.698 10.913 -0.041 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.769 10.063 1.792 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.029 12.793 1.096 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.290 12.141 2.545 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.140 11.917 1.283 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.903 12.704 -0.084 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.495 14.070 1.663 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.923 14.754 0.913 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.279 14.111 2.862 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.878 13.368 3.608 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.276 15.570 4.488 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.792 15.536 3.663 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.149 16.255 2.940 1.00 0.22 H new ATOM 1513 N THR A 436 -12.411 11.011 -1.229 1.00 0.16 N ATOM 1514 CA THR A 436 -13.450 11.156 -2.228 1.00 0.19 C ATOM 1515 C THR A 436 -13.769 9.812 -2.865 1.00 0.19 C ATOM 1516 O THR A 436 -14.930 9.455 -3.081 1.00 0.22 O ATOM 1517 CB THR A 436 -12.983 12.168 -3.288 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.156 11.538 -4.272 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.170 13.236 -2.602 1.00 0.21 C ATOM 0 H THR A 436 -11.464 11.153 -1.581 1.00 0.16 H new ATOM 0 HA THR A 436 -14.362 11.522 -1.757 1.00 0.19 H new ATOM 0 HB THR A 436 -13.860 12.588 -3.781 1.00 0.23 H new ATOM 0 HG1 THR A 436 -11.873 12.202 -4.935 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.830 13.964 -3.339 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.785 13.737 -1.854 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.307 12.781 -2.116 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.716 9.070 -3.137 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.817 7.779 -3.790 1.00 0.20 C ATOM 1529 C ARG A 437 -12.877 6.677 -2.755 1.00 0.20 C ATOM 1530 O ARG A 437 -13.301 5.560 -3.044 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.588 7.607 -4.658 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.066 8.885 -5.149 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.635 8.746 -6.554 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.775 8.911 -7.442 1.00 0.71 N ATOM 1535 CZ ARG A 437 -12.510 7.922 -7.962 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -12.219 6.651 -7.711 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -13.548 8.215 -8.730 1.00 1.47 N ATOM 0 H ARG A 437 -11.760 9.346 -2.911 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.723 7.727 -4.394 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.812 7.096 -4.087 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.833 6.968 -5.506 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.833 9.656 -5.069 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.227 9.206 -4.532 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.873 9.490 -6.785 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -10.181 7.767 -6.709 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.037 9.865 -7.690 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -11.425 6.418 -7.114 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -12.789 5.908 -8.115 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.782 9.189 -8.921 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -14.114 7.467 -9.130 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.437 7.020 -1.554 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.743 6.237 -0.376 1.00 0.18 C ATOM 1553 C GLY A 438 -12.414 4.761 -0.488 1.00 0.21 C ATOM 1554 O GLY A 438 -13.256 3.925 -0.161 1.00 0.24 O ATOM 0 H GLY A 438 -11.862 7.843 -1.373 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.197 6.653 0.471 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.805 6.342 -0.153 1.00 0.18 H new ATOM 1558 N SER A 439 -11.225 4.408 -0.949 1.00 0.22 N ATOM 1559 CA SER A 439 -10.956 3.005 -1.202 1.00 0.27 C ATOM 1560 C SER A 439 -10.491 2.280 0.060 1.00 0.27 C ATOM 1561 O SER A 439 -9.390 2.513 0.556 1.00 0.27 O ATOM 1562 CB SER A 439 -9.931 2.868 -2.319 1.00 0.31 C ATOM 1563 OG SER A 439 -10.392 3.539 -3.483 1.00 1.01 O ATOM 0 H SER A 439 -10.457 5.048 -1.149 1.00 0.22 H new ATOM 0 HA SER A 439 -11.887 2.532 -1.515 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.976 3.287 -2.001 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.759 1.814 -2.540 1.00 0.31 H new ATOM 0 HG SER A 439 -9.727 3.449 -4.197 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.356 1.382 0.539 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.121 0.561 1.734 1.00 0.32 C ATOM 1571 C HIS A 440 -10.361 1.289 2.851 1.00 0.28 C ATOM 1572 O HIS A 440 -10.798 2.337 3.335 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.403 -0.743 1.382 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.233 -1.747 0.651 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.461 -2.167 1.098 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -10.994 -2.433 -0.493 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.946 -3.063 0.267 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.080 -3.244 -0.712 1.00 0.48 N ATOM 0 H HIS A 440 -12.258 1.200 0.099 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.114 0.338 2.124 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.529 -0.506 0.775 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.037 -1.198 2.303 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.115 -2.356 -1.115 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.896 -3.567 0.369 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.198 -3.880 -1.500 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.214 0.732 3.240 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.458 1.273 4.353 1.00 0.22 C ATOM 1589 C GLY A 441 -6.965 1.395 4.085 1.00 0.17 C ATOM 1590 O GLY A 441 -6.254 2.036 4.862 1.00 0.26 O ATOM 0 H GLY A 441 -8.796 -0.088 2.800 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -8.854 2.257 4.603 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.610 0.637 5.225 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.468 0.774 3.012 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.042 0.791 2.739 1.00 0.15 C ATOM 1596 C CYS A 442 -4.667 1.746 1.614 1.00 0.13 C ATOM 1597 O CYS A 442 -5.426 2.634 1.253 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.534 -0.603 2.391 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.296 -1.309 0.917 1.00 0.35 S ATOM 0 H CYS A 442 -7.029 0.262 2.331 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.569 1.143 3.656 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.455 -0.560 2.245 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.716 -1.267 3.236 1.00 0.24 H new ATOM 1604 N ILE A 443 -3.434 1.598 1.138 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.868 2.481 0.131 1.00 0.07 C ATOM 1606 C ILE A 443 -2.995 1.867 -1.253 1.00 0.08 C ATOM 1607 O ILE A 443 -2.644 0.707 -1.463 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.376 2.776 0.416 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.193 3.738 1.596 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.694 3.357 -0.818 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.612 3.194 2.945 1.00 0.11 C ATOM 0 H ILE A 443 -2.800 0.859 1.443 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.428 3.416 0.170 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.913 1.824 0.677 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.143 4.026 1.649 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.763 4.645 1.396 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.354 3.557 -0.594 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.760 2.644 -1.640 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.188 4.286 -1.103 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.443 3.951 3.711 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.670 2.934 2.920 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.025 2.305 3.177 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.485 2.659 -2.188 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.675 2.201 -3.555 1.00 0.08 C ATOM 1625 C ASN A 444 -2.568 2.737 -4.448 1.00 0.07 C ATOM 1626 O ASN A 444 -2.633 3.859 -4.943 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.043 2.623 -4.084 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.185 1.763 -3.566 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.191 1.582 -4.249 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.039 1.211 -2.370 1.00 0.15 N ATOM 0 H ASN A 444 -3.760 3.628 -2.026 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.632 1.112 -3.562 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.226 3.661 -3.808 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.032 2.580 -5.173 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.775 0.615 -1.990 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.191 1.382 -1.829 1.00 0.15 H new ATOM 1637 N THR A 445 -1.540 1.933 -4.600 1.00 0.08 N ATOM 1638 CA THR A 445 -0.375 2.262 -5.375 1.00 0.08 C ATOM 1639 C THR A 445 -0.514 1.862 -6.839 1.00 0.08 C ATOM 1640 O THR A 445 -1.140 0.875 -7.165 1.00 0.10 O ATOM 1641 CB THR A 445 0.804 1.536 -4.741 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.706 1.597 -3.312 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.088 2.153 -5.162 1.00 0.06 C ATOM 0 H THR A 445 -1.494 1.007 -4.174 1.00 0.08 H new ATOM 0 HA THR A 445 -0.233 3.343 -5.369 1.00 0.08 H new ATOM 0 HB THR A 445 0.780 0.497 -5.071 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.574 1.852 -2.935 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.917 1.619 -4.698 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.181 2.096 -6.247 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.109 3.197 -4.851 1.00 0.06 H new ATOM 1651 N PRO A 446 0.044 2.685 -7.731 1.00 0.08 N ATOM 1652 CA PRO A 446 0.119 2.408 -9.171 1.00 0.10 C ATOM 1653 C PRO A 446 0.714 1.061 -9.487 1.00 0.14 C ATOM 1654 O PRO A 446 1.621 0.578 -8.804 1.00 0.24 O ATOM 1655 CB PRO A 446 1.021 3.523 -9.689 1.00 0.10 C ATOM 1656 CG PRO A 446 0.837 4.634 -8.729 1.00 0.08 C ATOM 1657 CD PRO A 446 0.609 3.995 -7.399 1.00 0.07 C ATOM 0 HA PRO A 446 -0.871 2.381 -9.627 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.062 3.203 -9.729 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.740 3.822 -10.699 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.715 5.280 -8.706 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.010 5.258 -9.012 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.538 3.899 -6.837 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.075 4.582 -6.786 1.00 0.07 H new ATOM 1665 N PRO A 447 0.212 0.446 -10.551 1.00 0.12 N ATOM 1666 CA PRO A 447 0.615 -0.886 -10.956 1.00 0.12 C ATOM 1667 C PRO A 447 2.076 -0.948 -11.393 1.00 0.14 C ATOM 1668 O PRO A 447 2.736 -1.981 -11.275 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.294 -1.185 -12.136 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.427 -0.258 -11.977 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.813 0.985 -11.458 1.00 0.13 C ATOM 0 HA PRO A 447 0.530 -1.599 -10.136 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.220 -1.023 -13.083 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.627 -2.223 -12.127 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -1.935 -0.085 -12.926 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.170 -0.653 -11.285 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.380 1.592 -12.253 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.535 1.612 -10.935 1.00 0.13 H new ATOM 1679 N SER A 448 2.577 0.176 -11.869 1.00 0.12 N ATOM 1680 CA SER A 448 3.920 0.261 -12.407 1.00 0.11 C ATOM 1681 C SER A 448 4.973 0.269 -11.313 1.00 0.09 C ATOM 1682 O SER A 448 6.132 -0.057 -11.529 1.00 0.09 O ATOM 1683 CB SER A 448 4.032 1.540 -13.209 1.00 0.14 C ATOM 1684 OG SER A 448 3.663 2.662 -12.422 1.00 1.10 O ATOM 0 H SER A 448 2.063 1.057 -11.893 1.00 0.12 H new ATOM 0 HA SER A 448 4.096 -0.616 -13.030 1.00 0.11 H new ATOM 0 HB2 SER A 448 5.054 1.662 -13.567 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.391 1.480 -14.089 1.00 0.14 H new ATOM 0 HG SER A 448 3.744 3.478 -12.958 1.00 1.10 H new ATOM 1690 N VAL A 449 4.571 0.707 -10.144 1.00 0.07 N ATOM 1691 CA VAL A 449 5.510 0.948 -9.070 1.00 0.06 C ATOM 1692 C VAL A 449 5.556 -0.173 -8.076 1.00 0.05 C ATOM 1693 O VAL A 449 6.614 -0.683 -7.770 1.00 0.05 O ATOM 1694 CB VAL A 449 5.182 2.263 -8.389 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.274 3.362 -9.408 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.813 2.204 -7.781 1.00 0.06 C ATOM 0 H VAL A 449 3.598 0.905 -9.910 1.00 0.07 H new ATOM 0 HA VAL A 449 6.505 1.005 -9.511 1.00 0.06 H new ATOM 0 HB VAL A 449 5.891 2.457 -7.584 1.00 0.06 H new ATOM 0 HG11 VAL A 449 5.041 4.316 -8.936 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.284 3.396 -9.816 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.564 3.172 -10.213 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.589 3.154 -7.295 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.076 2.013 -8.561 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.777 1.402 -7.044 1.00 0.06 H new ATOM 1706 N MET A 450 4.427 -0.593 -7.590 1.00 0.05 N ATOM 1707 CA MET A 450 4.419 -1.641 -6.595 1.00 0.05 C ATOM 1708 C MET A 450 4.911 -2.945 -7.197 1.00 0.05 C ATOM 1709 O MET A 450 5.061 -3.944 -6.498 1.00 0.06 O ATOM 1710 CB MET A 450 3.050 -1.778 -5.944 1.00 0.07 C ATOM 1711 CG MET A 450 2.986 -1.290 -4.501 1.00 0.06 C ATOM 1712 SD MET A 450 3.262 -2.596 -3.285 1.00 0.06 S ATOM 1713 CE MET A 450 2.967 -4.056 -4.256 1.00 0.05 C ATOM 0 H MET A 450 3.509 -0.238 -7.856 1.00 0.05 H new ATOM 0 HA MET A 450 5.110 -1.370 -5.797 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.323 -1.221 -6.535 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.750 -2.826 -5.974 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.731 -0.508 -4.357 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.010 -0.838 -4.322 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.873 -4.919 -3.596 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.046 -3.934 -4.827 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.800 -4.212 -4.941 1.00 0.05 H new ATOM 1723 N LYS A 451 5.210 -2.929 -8.476 1.00 0.05 N ATOM 1724 CA LYS A 451 5.805 -4.082 -9.096 1.00 0.05 C ATOM 1725 C LYS A 451 7.292 -4.061 -8.798 1.00 0.05 C ATOM 1726 O LYS A 451 7.917 -5.076 -8.477 1.00 0.06 O ATOM 1727 CB LYS A 451 5.571 -4.048 -10.585 1.00 0.06 C ATOM 1728 CG LYS A 451 6.329 -2.966 -11.215 1.00 0.06 C ATOM 1729 CD LYS A 451 6.109 -2.922 -12.677 1.00 0.08 C ATOM 1730 CE LYS A 451 7.196 -2.118 -13.307 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.467 -2.880 -13.441 1.00 0.92 N1+ ATOM 0 H LYS A 451 5.052 -2.137 -9.099 1.00 0.05 H new ATOM 0 HA LYS A 451 5.357 -4.995 -8.704 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.862 -5.003 -11.023 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.508 -3.916 -10.786 1.00 0.06 H new ATOM 0 HG2 LYS A 451 6.037 -2.013 -10.774 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.391 -3.099 -11.011 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.101 -3.932 -13.087 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.137 -2.481 -12.899 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.871 -1.784 -14.292 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.374 -1.224 -12.710 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.224 -2.387 -12.925 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.343 -3.834 -13.045 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.724 -2.953 -14.446 1.00 0.92 H new ATOM 1745 N GLU A 452 7.806 -2.829 -8.849 1.00 0.05 N ATOM 1746 CA GLU A 452 9.179 -2.509 -8.659 1.00 0.05 C ATOM 1747 C GLU A 452 9.523 -2.930 -7.291 1.00 0.05 C ATOM 1748 O GLU A 452 10.557 -3.503 -7.003 1.00 0.06 O ATOM 1749 CB GLU A 452 9.283 -1.012 -8.715 1.00 0.05 C ATOM 1750 CG GLU A 452 8.873 -0.432 -10.023 1.00 0.07 C ATOM 1751 CD GLU A 452 10.034 -0.191 -10.960 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.709 0.849 -10.818 1.00 0.25 O1- ATOM 1753 OE2 GLU A 452 10.274 -1.033 -11.849 1.00 0.24 O ATOM 0 H GLU A 452 7.231 -2.007 -9.034 1.00 0.05 H new ATOM 0 HA GLU A 452 9.825 -2.983 -9.398 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.663 -0.584 -7.927 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.312 -0.720 -8.505 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.161 -1.103 -10.503 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.354 0.511 -9.848 1.00 0.07 H new ATOM 1760 N LEU A 453 8.602 -2.526 -6.462 1.00 0.04 N ATOM 1761 CA LEU A 453 8.522 -2.869 -5.104 1.00 0.04 C ATOM 1762 C LEU A 453 8.700 -4.321 -4.871 1.00 0.05 C ATOM 1763 O LEU A 453 9.668 -4.719 -4.257 1.00 0.05 O ATOM 1764 CB LEU A 453 7.152 -2.467 -4.639 1.00 0.04 C ATOM 1765 CG LEU A 453 7.138 -1.858 -3.299 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.324 -1.008 -3.145 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.935 -1.031 -3.093 1.00 0.05 C ATOM 0 H LEU A 453 7.845 -1.908 -6.755 1.00 0.04 H new ATOM 0 HA LEU A 453 9.319 -2.362 -4.561 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.728 -1.762 -5.354 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.506 -3.345 -4.636 1.00 0.04 H new ATOM 0 HG LEU A 453 7.136 -2.662 -2.563 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.320 -0.554 -2.154 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.223 -1.613 -3.263 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.311 -0.225 -3.903 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.958 -0.597 -2.093 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.911 -0.232 -3.834 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.045 -1.651 -3.199 1.00 0.05 H new ATOM 1779 N PHE A 454 7.764 -5.101 -5.340 1.00 0.05 N ATOM 1780 CA PHE A 454 7.882 -6.558 -5.240 1.00 0.06 C ATOM 1781 C PHE A 454 9.289 -6.988 -5.662 1.00 0.07 C ATOM 1782 O PHE A 454 9.813 -8.010 -5.212 1.00 0.09 O ATOM 1783 CB PHE A 454 6.814 -7.269 -6.095 1.00 0.07 C ATOM 1784 CG PHE A 454 6.976 -8.776 -6.173 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.892 -9.329 -7.059 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.233 -9.643 -5.368 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.074 -10.694 -7.140 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.413 -11.011 -5.455 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.334 -11.536 -6.336 1.00 0.12 C ATOM 0 H PHE A 454 6.912 -4.771 -5.794 1.00 0.05 H new ATOM 0 HA PHE A 454 7.713 -6.849 -4.203 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.829 -7.042 -5.687 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.843 -6.860 -7.105 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.472 -8.678 -7.696 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.512 -9.241 -4.672 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.795 -11.103 -7.832 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.830 -11.671 -4.830 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.476 -12.605 -6.397 1.00 0.12 H new ATOM 1799 N GLY A 455 9.917 -6.132 -6.463 1.00 0.06 N ATOM 1800 CA GLY A 455 11.213 -6.435 -7.011 1.00 0.08 C ATOM 1801 C GLY A 455 12.333 -5.974 -6.104 1.00 0.08 C ATOM 1802 O GLY A 455 13.438 -6.508 -6.162 1.00 0.13 O ATOM 0 H GLY A 455 9.540 -5.226 -6.741 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.296 -7.510 -7.173 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.315 -5.957 -7.985 1.00 0.08 H new ATOM 1806 N MET A 456 12.064 -4.957 -5.280 1.00 0.06 N ATOM 1807 CA MET A 456 13.052 -4.489 -4.335 1.00 0.05 C ATOM 1808 C MET A 456 12.791 -4.931 -2.927 1.00 0.05 C ATOM 1809 O MET A 456 13.710 -5.346 -2.223 1.00 0.06 O ATOM 1810 CB MET A 456 13.176 -2.992 -4.355 1.00 0.05 C ATOM 1811 CG MET A 456 11.891 -2.284 -4.500 1.00 0.04 C ATOM 1812 SD MET A 456 11.942 -1.084 -5.819 1.00 0.05 S ATOM 1813 CE MET A 456 10.483 -0.217 -5.356 1.00 0.04 C ATOM 0 H MET A 456 11.177 -4.454 -5.256 1.00 0.06 H new ATOM 0 HA MET A 456 13.986 -4.944 -4.663 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.657 -2.666 -3.433 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.832 -2.703 -5.176 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.098 -3.006 -4.696 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.643 -1.785 -3.563 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.683 -0.450 -6.058 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.184 -0.518 -4.352 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.677 0.855 -5.370 1.00 0.04 H new ATOM 1823 N VAL A 457 11.566 -4.824 -2.495 1.00 0.05 N ATOM 1824 CA VAL A 457 11.241 -5.238 -1.157 1.00 0.05 C ATOM 1825 C VAL A 457 11.281 -6.723 -1.032 1.00 0.07 C ATOM 1826 O VAL A 457 10.973 -7.477 -1.960 1.00 0.08 O ATOM 1827 CB VAL A 457 9.910 -4.689 -0.629 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.172 -3.901 -1.676 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.045 -5.794 -0.050 1.00 0.05 C ATOM 0 H VAL A 457 10.785 -4.459 -3.040 1.00 0.05 H new ATOM 0 HA VAL A 457 12.013 -4.798 -0.526 1.00 0.05 H new ATOM 0 HB VAL A 457 10.147 -3.999 0.181 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.235 -3.531 -1.260 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.785 -3.058 -1.996 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.960 -4.542 -2.532 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.109 -5.370 0.315 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.832 -6.532 -0.823 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.572 -6.274 0.775 1.00 0.05 H new ATOM 1839 N GLU A 458 11.691 -7.120 0.131 1.00 0.08 N ATOM 1840 CA GLU A 458 11.796 -8.489 0.461 1.00 0.10 C ATOM 1841 C GLU A 458 10.807 -8.799 1.545 1.00 0.09 C ATOM 1842 O GLU A 458 10.360 -7.906 2.257 1.00 0.10 O ATOM 1843 CB GLU A 458 13.202 -8.773 0.946 1.00 0.13 C ATOM 1844 CG GLU A 458 13.988 -7.513 1.168 1.00 0.20 C ATOM 1845 CD GLU A 458 15.243 -7.721 1.985 1.00 0.27 C ATOM 1846 OE1 GLU A 458 15.131 -8.035 3.187 1.00 0.46 O ATOM 1847 OE2 GLU A 458 16.352 -7.560 1.429 1.00 0.48 O1- ATOM 0 H GLU A 458 11.964 -6.486 0.882 1.00 0.08 H new ATOM 0 HA GLU A 458 11.586 -9.109 -0.411 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.157 -9.340 1.876 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.717 -9.398 0.216 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.259 -7.088 0.201 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.354 -6.782 1.670 1.00 0.20 H new ATOM 1854 N LYS A 459 10.424 -10.050 1.632 1.00 0.11 N ATOM 1855 CA LYS A 459 9.656 -10.507 2.754 1.00 0.13 C ATOM 1856 C LYS A 459 10.433 -10.273 4.011 1.00 0.15 C ATOM 1857 O LYS A 459 11.378 -10.997 4.335 1.00 0.18 O ATOM 1858 CB LYS A 459 9.289 -11.951 2.607 1.00 0.16 C ATOM 1859 CG LYS A 459 8.664 -12.192 1.284 1.00 0.22 C ATOM 1860 CD LYS A 459 7.976 -13.512 1.270 1.00 0.70 C ATOM 1861 CE LYS A 459 8.938 -14.646 0.963 1.00 0.40 C ATOM 1862 NZ LYS A 459 8.228 -15.932 0.741 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.634 -10.766 0.937 1.00 0.11 H new ATOM 0 HA LYS A 459 8.724 -9.944 2.800 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.178 -12.572 2.715 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.600 -12.241 3.400 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.949 -11.399 1.062 1.00 0.22 H new ATOM 0 HG3 LYS A 459 9.425 -12.163 0.504 1.00 0.22 H new ATOM 0 HD2 LYS A 459 7.505 -13.687 2.237 1.00 0.70 H new ATOM 0 HD3 LYS A 459 7.180 -13.499 0.526 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.522 -14.396 0.077 1.00 0.40 H new ATOM 0 HE3 LYS A 459 9.642 -14.758 1.788 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 8.921 -16.680 0.534 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 7.691 -16.184 1.595 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 7.575 -15.834 -0.062 1.00 0.99 H new ATOM 1876 N GLY A 460 10.019 -9.246 4.696 1.00 0.15 N ATOM 1877 CA GLY A 460 10.718 -8.813 5.876 1.00 0.19 C ATOM 1878 C GLY A 460 11.048 -7.340 5.812 1.00 0.15 C ATOM 1879 O GLY A 460 11.498 -6.747 6.786 1.00 0.17 O ATOM 0 H GLY A 460 9.198 -8.690 4.458 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.107 -9.013 6.756 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.637 -9.389 5.988 1.00 0.19 H new ATOM 1883 N THR A 461 10.845 -6.759 4.643 1.00 0.12 N ATOM 1884 CA THR A 461 10.904 -5.332 4.479 1.00 0.07 C ATOM 1885 C THR A 461 9.731 -4.724 5.224 1.00 0.08 C ATOM 1886 O THR A 461 8.705 -5.374 5.400 1.00 0.13 O ATOM 1887 CB THR A 461 10.858 -4.983 2.970 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.119 -5.279 2.357 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.489 -3.534 2.727 1.00 0.05 C ATOM 0 H THR A 461 10.635 -7.270 3.786 1.00 0.12 H new ATOM 0 HA THR A 461 11.832 -4.929 4.884 1.00 0.07 H new ATOM 0 HB THR A 461 10.079 -5.597 2.519 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.344 -4.574 1.714 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.470 -3.338 1.655 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.505 -3.333 3.150 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.227 -2.886 3.201 1.00 0.05 H new ATOM 1897 N PRO A 462 9.859 -3.510 5.740 1.00 0.09 N ATOM 1898 CA PRO A 462 8.793 -2.866 6.413 1.00 0.14 C ATOM 1899 C PRO A 462 8.052 -1.979 5.451 1.00 0.13 C ATOM 1900 O PRO A 462 8.525 -1.713 4.344 1.00 0.18 O ATOM 1901 CB PRO A 462 9.518 -2.054 7.492 1.00 0.18 C ATOM 1902 CG PRO A 462 10.970 -2.139 7.135 1.00 0.13 C ATOM 1903 CD PRO A 462 11.014 -2.631 5.737 1.00 0.09 C ATOM 0 HA PRO A 462 8.047 -3.542 6.831 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.175 -1.019 7.504 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.332 -2.463 8.485 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.452 -1.165 7.222 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.498 -2.817 7.805 1.00 0.13 H new ATOM 0 HD2 PRO A 462 10.922 -1.825 5.009 1.00 0.09 H new ATOM 0 HD3 PRO A 462 11.940 -3.161 5.511 1.00 0.09 H new ATOM 1911 N VAL A 463 6.910 -1.519 5.838 1.00 0.09 N ATOM 1912 CA VAL A 463 6.249 -0.522 5.052 1.00 0.09 C ATOM 1913 C VAL A 463 5.887 0.611 5.950 1.00 0.08 C ATOM 1914 O VAL A 463 5.771 0.459 7.159 1.00 0.10 O ATOM 1915 CB VAL A 463 4.977 -1.006 4.343 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.182 -2.369 3.712 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.824 -1.001 5.316 1.00 0.54 C ATOM 0 H VAL A 463 6.417 -1.810 6.682 1.00 0.09 H new ATOM 0 HA VAL A 463 6.946 -0.235 4.264 1.00 0.09 H new ATOM 0 HB VAL A 463 4.741 -0.321 3.528 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.263 -2.683 3.218 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.987 -2.313 2.979 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.444 -3.092 4.485 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.921 -1.345 4.812 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.049 -1.665 6.150 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.668 0.011 5.690 1.00 0.54 H new ATOM 1927 N LEU A 464 5.779 1.751 5.388 1.00 0.07 N ATOM 1928 CA LEU A 464 5.316 2.870 6.107 1.00 0.07 C ATOM 1929 C LEU A 464 4.314 3.579 5.283 1.00 0.07 C ATOM 1930 O LEU A 464 4.315 3.461 4.074 1.00 0.09 O ATOM 1931 CB LEU A 464 6.468 3.784 6.429 1.00 0.10 C ATOM 1932 CG LEU A 464 7.451 3.224 7.415 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.506 2.425 6.716 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.056 4.354 8.208 1.00 0.13 C ATOM 0 H LEU A 464 6.010 1.936 4.412 1.00 0.07 H new ATOM 0 HA LEU A 464 4.860 2.550 7.044 1.00 0.07 H new ATOM 0 HB2 LEU A 464 6.995 4.022 5.505 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.073 4.721 6.821 1.00 0.10 H new ATOM 0 HG LEU A 464 6.935 2.550 8.099 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.208 2.028 7.450 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.040 1.600 6.177 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.039 3.064 6.012 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.771 3.953 8.926 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.567 5.040 7.532 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.268 4.888 8.740 1.00 0.13 H new ATOM 1946 N VAL A 465 3.410 4.221 5.952 1.00 0.06 N ATOM 1947 CA VAL A 465 2.558 5.199 5.344 1.00 0.05 C ATOM 1948 C VAL A 465 2.446 6.302 6.353 1.00 0.08 C ATOM 1949 O VAL A 465 2.451 6.002 7.528 1.00 0.10 O ATOM 1950 CB VAL A 465 1.173 4.622 4.938 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.260 3.125 4.752 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.105 4.987 5.913 1.00 0.08 C ATOM 0 H VAL A 465 3.239 4.081 6.948 1.00 0.06 H new ATOM 0 HA VAL A 465 2.975 5.557 4.403 1.00 0.05 H new ATOM 0 HB VAL A 465 0.893 5.073 3.986 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.282 2.736 4.468 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.983 2.897 3.968 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.578 2.660 5.685 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.845 4.562 5.588 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.361 4.594 6.897 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.017 6.072 5.967 1.00 0.08 H new ATOM 1962 N PHE A 466 2.476 7.546 5.914 1.00 0.10 N ATOM 1963 CA PHE A 466 2.420 8.692 6.809 1.00 0.15 C ATOM 1964 C PHE A 466 2.470 9.998 6.034 1.00 0.21 C ATOM 1965 O PHE A 466 3.551 10.601 5.924 1.00 1.09 O ATOM 1966 CB PHE A 466 3.523 8.627 7.886 1.00 0.17 C ATOM 1967 CG PHE A 466 4.939 8.441 7.398 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.351 7.207 6.964 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.854 9.484 7.409 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.656 6.998 6.537 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.157 9.285 6.981 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.555 8.036 6.545 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.402 10.421 5.548 1.00 1.06 O ATOM 0 H PHE A 466 2.540 7.793 4.927 1.00 0.10 H new ATOM 0 HA PHE A 466 1.463 8.656 7.329 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.483 9.547 8.470 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.287 7.808 8.565 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.650 6.385 6.954 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.548 10.460 7.754 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.964 6.020 6.199 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.860 10.105 6.988 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.570 7.876 6.212 1.00 0.30 H new TER 1983 PHE A 466 HETATM 1984 C 1RG A 130 -11.460 -6.698 8.591 1.00 2.42 C HETATM 1985 N 1RG A 130 -10.065 -7.278 6.655 1.00 2.70 N HETATM 1986 O 1RG A 130 -12.156 -5.990 7.868 1.00 2.05 O HETATM 1987 CA 1RG A 130 -10.066 -7.119 8.122 1.00 2.68 C HETATM 1988 CB 1RG A 130 -9.065 -5.986 8.380 1.00 2.20 C HETATM 1989 CD 1RG A 130 -9.908 -5.915 6.180 1.00 2.17 C HETATM 1990 CG 1RG A 130 -8.725 -5.451 7.001 1.00 1.53 C HETATM 1991 CAA 1RG A 130 -6.708 -2.078 1.600 1.00 0.28 C HETATM 1992 CAB 1RG A 130 -6.516 -3.562 2.062 1.00 0.19 C HETATM 1993 OAC 1RG A 130 -7.776 -1.505 1.732 1.00 0.43 O HETATM 1994 CAD 1RG A 130 -7.565 -3.903 3.190 1.00 0.25 C HETATM 1995 CAE 1RG A 130 -6.529 -4.547 0.907 1.00 0.15 C HETATM 1996 CAF 1RG A 130 -6.362 -5.978 1.402 1.00 0.11 C HETATM 1997 OAG 1RG A 130 -7.763 -4.432 0.187 1.00 0.20 O HETATM 1998 CAH 1RG A 130 -7.143 -3.496 4.587 1.00 0.33 C HETATM 1999 CAI 1RG A 130 -8.371 -3.445 5.228 1.00 0.37 C HETATM 2000 NAJ 1RG A 130 -8.843 -3.195 3.059 1.00 0.34 N HETATM 2001 SAK 1RG A 130 -8.584 -3.683 6.955 1.00 0.71 S HETATM 2002 CAL 1RG A 130 -9.341 -3.299 4.297 1.00 0.33 C HETATM 2003 CAM 1RG A 130 -10.644 -3.238 4.614 1.00 0.53 C HETATM 2004 CAS 1RG A 130 -6.463 -2.135 4.648 1.00 0.41 C HETATM 2005 OAT 1RG A 130 -11.490 -3.105 3.703 1.00 0.66 O HETATM 2006 OAU 1RG A 130 -11.033 -3.309 5.797 1.00 0.67 O HETATM 2007 NAX 1RG A 130 -11.795 -7.161 9.828 1.00 2.87 N HETATM 2008 CAY 1RG A 130 -13.017 -6.886 10.351 1.00 2.84 C HETATM 2009 CAZ 1RG A 130 -13.315 -7.377 11.619 1.00 3.47 C HETATM 2010 CBA 1RG A 130 -14.554 -7.121 12.196 1.00 3.58 C HETATM 2011 CBB 1RG A 130 -15.500 -6.367 11.508 1.00 3.10 C HETATM 2012 CBC 1RG A 130 -15.212 -5.874 10.248 1.00 2.54 C HETATM 2013 CBD 1RG A 130 -13.982 -6.127 9.672 1.00 2.37 C HETATM 2014 CBE 1RG A 130 -14.844 -7.619 13.462 1.00 4.28 C HETATM 2015 OBF 1RG A 130 -15.956 -7.416 13.994 1.00 4.45 O HETATM 2016 OBG 1RG A 130 -14.005 -8.290 14.099 1.00 4.82 O HETATM 0 HOBF 1RG A 130 -15.981 -7.846 14.874 1.00 4.45 H new HETATM 0 HOAU 1RG A 130 -10.343 -2.946 6.391 1.00 0.67 H new HETATM 0 HOAG 1RG A 130 -7.576 -4.342 -0.771 1.00 0.20 H new HETATM 0 HNAX 1RG A 130 -11.126 -7.715 10.362 1.00 2.87 H new HETATM 0 HNAJ 1RG A 130 -9.247 -2.742 2.239 1.00 0.34 H new HETATM 0 HASB 1RG A 130 -5.566 -2.148 4.029 1.00 0.41 H new HETATM 0 HASA 1RG A 130 -7.146 -1.370 4.280 1.00 0.41 H new HETATM 0 HAFB 1RG A 130 -5.412 -6.072 1.929 1.00 0.11 H new HETATM 0 HAFA 1RG A 130 -7.179 -6.226 2.080 1.00 0.11 H new HETATM 0 HN 1RG A 130 -10.153 -8.135 6.109 1.00 2.70 H new HETATM 0 HG 1RG A 130 -7.757 -5.804 6.646 1.00 1.53 H new HETATM 0 HDA 1RG A 130 -9.707 -5.873 5.109 1.00 2.17 H new HETATM 0 HD 1RG A 130 -10.797 -5.311 6.362 1.00 2.17 H new HETATM 0 HBD 1RG A 130 -13.759 -5.733 8.680 1.00 2.37 H new HETATM 0 HBC 1RG A 130 -15.955 -5.286 9.710 1.00 2.54 H new HETATM 0 HBB 1RG A 130 -16.470 -6.165 11.963 1.00 3.10 H new HETATM 0 HBA 1RG A 130 -9.499 -5.210 9.010 1.00 2.20 H new HETATM 0 HB 1RG A 130 -8.176 -6.352 8.893 1.00 2.20 H new HETATM 0 HAZ 1RG A 130 -12.574 -7.964 12.162 1.00 3.47 H new HETATM 0 HAS 1RG A 130 -6.189 -1.911 5.679 1.00 0.41 H new HETATM 0 HAH 1RG A 130 -6.407 -4.175 5.017 1.00 0.33 H new HETATM 0 HAF 1RG A 130 -6.375 -6.661 0.552 1.00 0.11 H new HETATM 0 HAE 1RG A 130 -5.692 -4.310 0.250 1.00 0.15 H new HETATM 0 HAD 1RG A 130 -7.646 -4.982 3.059 1.00 0.25 H new HETATM 0 HAB 1RG A 130 -5.519 -3.665 2.489 1.00 0.19 H new HETATM 0 HA 1RG A 130 -9.805 -8.037 8.648 1.00 2.68 H new