USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=37 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 1RGHOBF : A 130 1RG OBF : A 130 1RG CBE :(short bond) USER MOD NoAdj-H: A 130 1RGHOAU : A 130 1RG OAU : A 130 1RG CAM :(short bond) 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 -102:sc= -2.9! (180deg=-4.5!) USER MOD Set 1.2: A 450 MET CE :methyl -166:sc= -5.17! (180deg=-6.51!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -5.81 X(o=-7.6,f=-8) USER MOD Set 2.2: A 444 ASN : amide:sc= -1.82 X(o=-7.6,f=-7.9) USER MOD Set 3.1: A 130 1RG OAG : rot -69:sc= 0.0566 USER MOD Set 3.2: A 403 TYR OH : rot 30:sc= -3.23! USER MOD Set 4.1: A 397 ASN : amide:sc= 0.61 X(o=0.031,f=-0.44) USER MOD Set 4.2: A 440 HIS : no HE2:sc= -0.578 K(o=0.031,f=-0.98) USER MOD Set 5.1: A 370 SER OG : rot -42:sc= -2.6! USER MOD Set 5.2: A 377 THR OG1 : rot 72:sc= 1.26 USER MOD Set 6.1: A 356 TYR OH : rot -31:sc= -0.368 USER MOD Set 6.2: A 358 LYS NZ :NH3+ -175:sc= 1.27 (180deg=0.0492) USER MOD Single : A 339 HIS : no HD1:sc= -4.75! C(o=-4.8!,f=-5!) USER MOD Single : A 340 MET CE :methyl 177:sc= -4.81! (180deg=-4.92!) USER MOD Single : A 343 THR OG1 : rot -6:sc= 1.02 USER MOD Single : A 344 TYR OH : rot 90:sc= 0.182 USER MOD Single : A 351 ASN : amide:sc= -1.79! X(o=-1.8!,f=-1.4) USER MOD Single : A 352 GLN : amide:sc= -2.38! C(o=-2.4!,f=-4.7!) USER MOD Single : A 353 HIS : no HE2:sc= -6.47! C(o=-6.5!,f=-6.4!) USER MOD Single : A 354 MET CE :methyl -126:sc= -5! (180deg=-6.45!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.63! USER MOD Single : A 372 LYS NZ :NH3+ 156:sc= 0.42 (180deg=0.198) USER MOD Single : A 374 THR OG1 : rot 110:sc= -2.32 USER MOD Single : A 375 THR OG1 : rot -64:sc= 0.574 USER MOD Single : A 383 TYR OH : rot -90:sc= 1.15 USER MOD Single : A 386 ASN : amide:sc= -2.11! K(o=-2.1!,f=-1.5) USER MOD Single : A 387 LYS NZ :NH3+ 136:sc= 0.0436 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 401 THR OG1 : rot 44:sc= -0.675 USER MOD Single : A 405 SER OG : rot 72:sc= 0.132 USER MOD Single : A 408 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 THR OG1 : rot -65:sc= 0.63 USER MOD Single : A 423 SER OG : rot 62:sc= -0.578! USER MOD Single : A 426 GLN : amide:sc= -9.04! C(o=-9!,f=-4.7!) USER MOD Single : A 429 TYR OH : rot -127:sc= -4.23! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 108:sc= -1.78! USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 445 THR OG1 : rot -134:sc= 1.03 USER MOD Single : A 448 SER OG : rot 180:sc= -0.018 USER MOD Single : A 451 LYS NZ :NH3+ -120:sc= 0.635 (180deg=-0.128) USER MOD Single : A 456 MET CE :methyl -107:sc= -20.8! (180deg=-29.3!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= -0.0668 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 12.536 3.206 14.898 1.00 1.87 N ATOM 2 CA GLY A 338 13.454 2.754 13.824 1.00 1.09 C ATOM 3 C GLY A 338 12.993 1.463 13.190 1.00 1.10 C ATOM 4 O GLY A 338 12.364 0.634 13.848 1.00 1.67 O ATOM 0 HA2 GLY A 338 13.526 3.528 13.059 1.00 1.09 H new ATOM 0 HA3 GLY A 338 14.454 2.619 14.236 1.00 1.09 H new ATOM 10 N HIS A 339 13.283 1.288 11.910 1.00 0.72 N ATOM 11 CA HIS A 339 12.945 0.050 11.224 1.00 0.65 C ATOM 12 C HIS A 339 14.078 -0.433 10.353 1.00 0.55 C ATOM 13 O HIS A 339 14.303 0.099 9.264 1.00 0.84 O ATOM 14 CB HIS A 339 11.681 0.161 10.360 1.00 0.81 C ATOM 15 CG HIS A 339 11.467 1.480 9.674 1.00 0.45 C ATOM 16 ND1 HIS A 339 11.246 2.671 10.337 1.00 0.51 N ATOM 17 CD2 HIS A 339 11.398 1.770 8.365 1.00 0.32 C ATOM 18 CE1 HIS A 339 11.056 3.636 9.453 1.00 0.38 C ATOM 19 NE2 HIS A 339 11.155 3.115 8.251 1.00 0.47 N ATOM 0 H HIS A 339 13.749 1.983 11.327 1.00 0.72 H new ATOM 0 HA HIS A 339 12.754 -0.669 12.021 1.00 0.65 H new ATOM 0 HB2 HIS A 339 11.714 -0.620 9.600 1.00 0.81 H new ATOM 0 HB3 HIS A 339 10.815 -0.043 10.990 1.00 0.81 H new ATOM 0 HD2 HIS A 339 11.513 1.071 7.550 1.00 0.32 H new ATOM 0 HE1 HIS A 339 10.854 4.673 9.680 1.00 0.38 H new ATOM 0 HE2 HIS A 339 11.066 3.628 7.374 1.00 0.47 H new ATOM 28 N MET A 340 14.788 -1.441 10.850 1.00 0.43 N ATOM 29 CA MET A 340 15.734 -2.192 10.038 1.00 0.31 C ATOM 30 C MET A 340 16.869 -1.320 9.509 1.00 0.33 C ATOM 31 O MET A 340 17.107 -0.214 10.001 1.00 0.43 O ATOM 32 CB MET A 340 14.985 -2.820 8.863 1.00 0.26 C ATOM 33 CG MET A 340 14.733 -4.297 8.998 1.00 0.67 C ATOM 34 SD MET A 340 14.934 -5.169 7.433 1.00 0.61 S ATOM 35 CE MET A 340 13.866 -4.194 6.381 1.00 0.17 C ATOM 0 H MET A 340 14.724 -1.757 11.818 1.00 0.43 H new ATOM 0 HA MET A 340 16.183 -2.959 10.670 1.00 0.31 H new ATOM 0 HB2 MET A 340 14.028 -2.311 8.745 1.00 0.26 H new ATOM 0 HB3 MET A 340 15.554 -2.644 7.950 1.00 0.26 H new ATOM 0 HG2 MET A 340 15.419 -4.715 9.735 1.00 0.67 H new ATOM 0 HG3 MET A 340 13.723 -4.458 9.375 1.00 0.67 H new ATOM 0 HE1 MET A 340 13.919 -4.571 5.360 1.00 0.17 H new ATOM 0 HE2 MET A 340 12.839 -4.263 6.741 1.00 0.17 H new ATOM 0 HE3 MET A 340 14.188 -3.153 6.401 1.00 0.17 H new ATOM 45 N GLU A 341 17.590 -1.850 8.528 1.00 0.29 N ATOM 46 CA GLU A 341 18.472 -1.050 7.701 1.00 0.35 C ATOM 47 C GLU A 341 17.594 -0.105 6.894 1.00 0.30 C ATOM 48 O GLU A 341 16.364 -0.211 6.926 1.00 0.36 O ATOM 49 CB GLU A 341 19.275 -1.957 6.763 1.00 0.43 C ATOM 50 CG GLU A 341 18.455 -2.569 5.659 1.00 1.31 C ATOM 51 CD GLU A 341 19.298 -3.351 4.676 1.00 1.61 C ATOM 52 OE1 GLU A 341 19.596 -4.530 4.953 1.00 1.82 O ATOM 53 OE2 GLU A 341 19.659 -2.795 3.619 1.00 1.85 O1- ATOM 0 H GLU A 341 17.577 -2.841 8.288 1.00 0.29 H new ATOM 0 HA GLU A 341 19.180 -0.491 8.313 1.00 0.35 H new ATOM 0 HB2 GLU A 341 20.087 -1.379 6.322 1.00 0.43 H new ATOM 0 HB3 GLU A 341 19.732 -2.755 7.348 1.00 0.43 H new ATOM 0 HG2 GLU A 341 17.703 -3.228 6.092 1.00 1.31 H new ATOM 0 HG3 GLU A 341 17.921 -1.781 5.128 1.00 1.31 H new ATOM 60 N ASP A 342 18.196 0.823 6.170 1.00 0.24 N ATOM 61 CA ASP A 342 17.397 1.795 5.464 1.00 0.20 C ATOM 62 C ASP A 342 16.913 1.197 4.169 1.00 0.17 C ATOM 63 O ASP A 342 17.498 1.409 3.108 1.00 0.19 O ATOM 64 CB ASP A 342 18.187 3.069 5.166 1.00 0.22 C ATOM 65 CG ASP A 342 18.783 3.709 6.401 1.00 0.31 C ATOM 66 OD1 ASP A 342 19.747 3.144 6.959 1.00 0.43 O1- ATOM 67 OD2 ASP A 342 18.281 4.769 6.833 1.00 0.39 O ATOM 0 H ASP A 342 19.205 0.920 6.060 1.00 0.24 H new ATOM 0 HA ASP A 342 16.553 2.062 6.100 1.00 0.20 H new ATOM 0 HB2 ASP A 342 18.988 2.835 4.464 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.531 3.787 4.674 1.00 0.22 H new ATOM 72 N THR A 343 15.831 0.454 4.279 1.00 0.13 N ATOM 73 CA THR A 343 15.075 -0.022 3.148 1.00 0.10 C ATOM 74 C THR A 343 13.673 -0.363 3.598 1.00 0.08 C ATOM 75 O THR A 343 13.497 -0.990 4.644 1.00 0.10 O ATOM 76 CB THR A 343 15.678 -1.260 2.481 1.00 0.11 C ATOM 77 OG1 THR A 343 16.987 -0.964 1.971 1.00 0.14 O ATOM 78 CG2 THR A 343 14.757 -1.696 1.357 1.00 0.08 C ATOM 0 H THR A 343 15.448 0.160 5.178 1.00 0.13 H new ATOM 0 HA THR A 343 15.085 0.781 2.411 1.00 0.10 H new ATOM 0 HB THR A 343 15.777 -2.064 3.210 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.170 -0.007 2.076 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.171 -2.578 0.869 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.774 -1.934 1.764 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.663 -0.890 0.630 1.00 0.08 H new ATOM 86 N TYR A 344 12.689 0.038 2.814 1.00 0.07 N ATOM 87 CA TYR A 344 11.298 -0.162 3.185 1.00 0.06 C ATOM 88 C TYR A 344 10.376 0.487 2.196 1.00 0.06 C ATOM 89 O TYR A 344 10.768 1.386 1.482 1.00 0.06 O ATOM 90 CB TYR A 344 11.028 0.459 4.543 1.00 0.08 C ATOM 91 CG TYR A 344 11.445 1.918 4.667 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.754 2.227 4.992 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.550 2.972 4.483 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.170 3.535 5.136 1.00 0.13 C ATOM 95 CE2 TYR A 344 10.959 4.280 4.624 1.00 0.11 C ATOM 96 CZ TYR A 344 12.267 4.558 4.951 1.00 0.13 C ATOM 97 OH TYR A 344 12.670 5.866 5.097 1.00 0.15 O ATOM 0 H TYR A 344 12.826 0.504 1.917 1.00 0.07 H new ATOM 0 HA TYR A 344 11.118 -1.237 3.207 1.00 0.06 H new ATOM 0 HB2 TYR A 344 9.963 0.380 4.759 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.551 -0.121 5.303 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.465 1.427 5.136 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.523 2.760 4.227 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.196 3.755 5.392 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.255 5.086 4.478 1.00 0.11 H new ATOM 0 HH TYR A 344 12.985 6.209 4.235 1.00 0.15 H new ATOM 107 N ILE A 345 9.149 0.018 2.138 1.00 0.06 N ATOM 108 CA ILE A 345 8.124 0.770 1.480 1.00 0.06 C ATOM 109 C ILE A 345 7.705 1.879 2.375 1.00 0.07 C ATOM 110 O ILE A 345 7.767 1.756 3.593 1.00 0.08 O ATOM 111 CB ILE A 345 6.855 -0.009 1.158 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.141 -1.490 1.109 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.341 0.458 -0.180 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.230 -1.805 0.175 1.00 0.05 C ATOM 0 H ILE A 345 8.847 -0.871 2.536 1.00 0.06 H new ATOM 0 HA ILE A 345 8.566 1.091 0.537 1.00 0.06 H new ATOM 0 HB ILE A 345 6.109 0.166 1.933 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.404 -1.842 2.106 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.239 -2.025 0.810 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.431 -0.088 -0.431 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.123 1.525 -0.134 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.096 0.275 -0.944 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.405 -2.881 0.169 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.956 -1.476 -0.828 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.139 -1.292 0.489 1.00 0.05 H new ATOM 126 N GLU A 346 7.256 2.933 1.781 1.00 0.09 N ATOM 127 CA GLU A 346 6.955 4.109 2.519 1.00 0.12 C ATOM 128 C GLU A 346 5.828 4.865 1.847 1.00 0.17 C ATOM 129 O GLU A 346 5.679 4.800 0.645 1.00 0.21 O ATOM 130 CB GLU A 346 8.228 4.922 2.549 1.00 0.15 C ATOM 131 CG GLU A 346 8.135 6.107 3.431 1.00 0.13 C ATOM 132 CD GLU A 346 7.592 5.736 4.696 1.00 1.24 C ATOM 133 OE1 GLU A 346 6.345 5.629 4.776 1.00 1.53 O ATOM 134 OE2 GLU A 346 8.400 5.517 5.614 1.00 2.01 O1- ATOM 0 H GLU A 346 7.089 3.002 0.777 1.00 0.09 H new ATOM 0 HA GLU A 346 6.622 3.884 3.532 1.00 0.12 H new ATOM 0 HB2 GLU A 346 9.049 4.289 2.885 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.469 5.247 1.537 1.00 0.15 H new ATOM 0 HG2 GLU A 346 9.123 6.548 3.566 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.507 6.867 2.966 1.00 0.13 H new ATOM 141 N VAL A 347 4.990 5.515 2.628 1.00 0.17 N ATOM 142 CA VAL A 347 3.897 6.283 2.082 1.00 0.17 C ATOM 143 C VAL A 347 3.652 7.550 2.876 1.00 0.20 C ATOM 144 O VAL A 347 4.075 7.679 4.013 1.00 0.45 O ATOM 145 CB VAL A 347 2.573 5.511 2.056 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.640 6.170 1.066 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.765 4.038 1.723 1.00 0.15 C ATOM 0 H VAL A 347 5.048 5.525 3.646 1.00 0.17 H new ATOM 0 HA VAL A 347 4.206 6.513 1.062 1.00 0.17 H new ATOM 0 HB VAL A 347 2.138 5.544 3.055 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.695 5.628 1.040 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.458 7.201 1.368 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.093 6.157 0.075 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.797 3.537 1.718 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.228 3.944 0.740 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.408 3.576 2.472 1.00 0.15 H new ATOM 157 N ASP A 348 2.976 8.477 2.233 1.00 0.10 N ATOM 158 CA ASP A 348 2.531 9.713 2.824 1.00 0.09 C ATOM 159 C ASP A 348 1.146 10.006 2.274 1.00 0.08 C ATOM 160 O ASP A 348 0.985 10.356 1.119 1.00 0.10 O ATOM 161 CB ASP A 348 3.508 10.825 2.438 1.00 0.12 C ATOM 162 CG ASP A 348 3.323 12.070 3.269 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.163 12.416 3.578 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.337 12.721 3.605 1.00 0.24 O ATOM 0 H ASP A 348 2.714 8.385 1.252 1.00 0.10 H new ATOM 0 HA ASP A 348 2.493 9.647 3.911 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.530 10.463 2.554 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.375 11.072 1.385 1.00 0.12 H new ATOM 169 N LEU A 349 0.161 9.814 3.123 1.00 0.08 N ATOM 170 CA LEU A 349 -1.258 9.784 2.741 1.00 0.09 C ATOM 171 C LEU A 349 -1.797 11.165 2.640 1.00 0.12 C ATOM 172 O LEU A 349 -2.702 11.467 1.875 1.00 0.16 O ATOM 173 CB LEU A 349 -2.049 9.059 3.808 1.00 0.10 C ATOM 174 CG LEU A 349 -1.420 7.773 4.259 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.735 7.111 3.097 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.443 8.057 5.355 1.00 0.08 C ATOM 0 H LEU A 349 0.313 9.670 4.121 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.344 9.279 1.779 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.167 9.717 4.669 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.049 8.850 3.427 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.188 7.099 4.638 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.279 6.178 3.427 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.465 6.902 2.315 1.00 0.07 H new ATOM 0 HD13 LEU A 349 0.037 7.773 2.705 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.015 7.125 5.684 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.330 8.731 4.987 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.962 8.522 6.193 1.00 0.08 H new ATOM 188 N GLU A 350 -1.245 11.948 3.533 1.00 0.13 N ATOM 189 CA GLU A 350 -1.498 13.365 3.660 1.00 0.15 C ATOM 190 C GLU A 350 -1.167 14.010 2.360 1.00 0.14 C ATOM 191 O GLU A 350 -1.840 14.908 1.867 1.00 0.17 O ATOM 192 CB GLU A 350 -0.557 13.895 4.703 1.00 0.18 C ATOM 193 CG GLU A 350 -0.411 12.971 5.844 1.00 0.19 C ATOM 194 CD GLU A 350 -0.594 13.629 7.192 1.00 0.28 C ATOM 195 OE1 GLU A 350 0.087 14.637 7.469 1.00 0.57 O ATOM 196 OE2 GLU A 350 -1.420 13.132 7.987 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.578 11.602 4.222 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.536 13.562 3.930 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.420 14.071 4.253 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.920 14.858 5.062 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.138 12.166 5.742 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.578 12.514 5.805 1.00 0.19 H new ATOM 203 N ASN A 351 -0.037 13.552 1.882 1.00 0.12 N ATOM 204 CA ASN A 351 0.586 14.073 0.675 1.00 0.11 C ATOM 205 C ASN A 351 0.317 13.169 -0.509 1.00 0.09 C ATOM 206 O ASN A 351 0.833 13.373 -1.610 1.00 0.10 O ATOM 207 CB ASN A 351 2.081 14.214 0.917 1.00 0.13 C ATOM 208 CG ASN A 351 2.353 15.291 1.928 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.639 16.439 1.581 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.232 14.936 3.187 1.00 0.18 N ATOM 0 H ASN A 351 0.489 12.796 2.321 1.00 0.12 H new ATOM 0 HA ASN A 351 0.160 15.049 0.441 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.489 13.266 1.268 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.586 14.451 -0.020 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.376 15.623 3.927 1.00 0.18 H new ATOM 0 HD22 ASN A 351 1.994 13.973 3.425 1.00 0.18 H new ATOM 217 N GLN A 352 -0.513 12.169 -0.216 1.00 0.08 N ATOM 218 CA GLN A 352 -0.889 11.088 -1.123 1.00 0.08 C ATOM 219 C GLN A 352 0.235 10.659 -2.046 1.00 0.07 C ATOM 220 O GLN A 352 0.113 10.712 -3.267 1.00 0.08 O ATOM 221 CB GLN A 352 -2.139 11.407 -1.931 1.00 0.12 C ATOM 222 CG GLN A 352 -3.347 11.699 -1.076 1.00 0.21 C ATOM 223 CD GLN A 352 -3.458 13.163 -0.695 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.027 14.049 -1.430 1.00 2.15 O ATOM 225 NE2 GLN A 352 -4.024 13.423 0.469 1.00 1.89 N ATOM 0 H GLN A 352 -0.960 12.087 0.697 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.113 10.246 -0.468 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -1.940 12.267 -2.571 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.363 10.566 -2.588 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.247 11.399 -1.612 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.300 11.095 -0.170 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.369 12.659 1.050 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.116 14.388 0.787 1.00 1.89 H new ATOM 234 N HIS A 353 1.306 10.185 -1.458 1.00 0.05 N ATOM 235 CA HIS A 353 2.438 9.727 -2.227 1.00 0.05 C ATOM 236 C HIS A 353 3.042 8.511 -1.567 1.00 0.06 C ATOM 237 O HIS A 353 3.182 8.458 -0.359 1.00 0.07 O ATOM 238 CB HIS A 353 3.462 10.846 -2.365 1.00 0.06 C ATOM 239 CG HIS A 353 4.517 10.551 -3.372 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.468 10.947 -4.693 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.631 9.835 -3.243 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.523 10.461 -5.325 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.250 9.788 -4.457 1.00 0.07 N ATOM 0 H HIS A 353 1.418 10.106 -0.447 1.00 0.05 H new ATOM 0 HA HIS A 353 2.110 9.446 -3.228 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.950 11.767 -2.644 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.931 11.022 -1.397 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.737 11.521 -5.113 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.984 9.371 -2.334 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.750 10.593 -6.373 1.00 0.09 H new ATOM 252 N MET A 354 3.352 7.520 -2.369 1.00 0.05 N ATOM 253 CA MET A 354 3.935 6.309 -1.882 1.00 0.06 C ATOM 254 C MET A 354 5.365 6.183 -2.389 1.00 0.05 C ATOM 255 O MET A 354 5.731 6.777 -3.396 1.00 0.06 O ATOM 256 CB MET A 354 3.125 5.101 -2.306 1.00 0.07 C ATOM 257 CG MET A 354 3.457 3.859 -1.515 1.00 0.07 C ATOM 258 SD MET A 354 3.749 2.415 -2.541 1.00 0.06 S ATOM 259 CE MET A 354 4.956 3.067 -3.688 1.00 0.05 C ATOM 0 H MET A 354 3.204 7.538 -3.378 1.00 0.05 H new ATOM 0 HA MET A 354 3.939 6.347 -0.793 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.064 5.324 -2.193 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.299 4.908 -3.365 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.343 4.050 -0.909 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.639 3.647 -0.826 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.613 2.903 -4.710 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.082 4.136 -3.515 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.910 2.561 -3.539 1.00 0.05 H new ATOM 269 N TRP A 355 6.147 5.394 -1.697 1.00 0.05 N ATOM 270 CA TRP A 355 7.553 5.217 -1.984 1.00 0.07 C ATOM 271 C TRP A 355 7.969 3.790 -1.746 1.00 0.07 C ATOM 272 O TRP A 355 7.319 3.058 -1.018 1.00 0.11 O ATOM 273 CB TRP A 355 8.429 6.058 -1.053 1.00 0.08 C ATOM 274 CG TRP A 355 8.335 7.516 -1.237 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.072 8.279 -2.053 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.472 8.377 -0.538 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.701 9.587 -1.939 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.707 9.673 -0.988 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.513 8.164 0.423 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.989 10.753 -0.479 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.823 9.203 0.914 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.055 10.493 0.472 1.00 0.09 C ATOM 0 H TRP A 355 5.820 4.845 -0.902 1.00 0.05 H new ATOM 0 HA TRP A 355 7.686 5.514 -3.024 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.164 5.822 -0.022 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.468 5.758 -1.192 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.849 7.912 -2.708 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.092 10.367 -2.467 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.316 7.164 0.781 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.168 11.759 -0.828 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.071 9.030 1.670 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.483 11.308 0.891 1.00 0.09 H new ATOM 293 N TYR A 356 9.050 3.415 -2.363 1.00 0.04 N ATOM 294 CA TYR A 356 9.901 2.402 -1.815 1.00 0.04 C ATOM 295 C TYR A 356 11.160 3.084 -1.430 1.00 0.04 C ATOM 296 O TYR A 356 11.536 4.072 -2.021 1.00 0.05 O ATOM 297 CB TYR A 356 10.251 1.348 -2.796 1.00 0.03 C ATOM 298 CG TYR A 356 11.148 0.265 -2.212 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.620 -0.760 -1.467 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.506 0.242 -2.457 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.404 -1.779 -1.004 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.308 -0.774 -1.978 1.00 0.10 C ATOM 303 CZ TYR A 356 12.743 -1.789 -1.260 1.00 0.05 C ATOM 304 OH TYR A 356 13.512 -2.840 -0.829 1.00 0.26 O ATOM 0 H TYR A 356 9.365 3.799 -3.254 1.00 0.04 H new ATOM 0 HA TYR A 356 9.382 1.920 -0.986 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.336 0.890 -3.171 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.752 1.806 -3.649 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.564 -0.761 -1.242 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.951 1.037 -3.037 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.960 -2.581 -0.432 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.371 -0.766 -2.169 1.00 0.10 H new ATOM 0 HH TYR A 356 13.134 -3.204 -0.001 1.00 0.26 H new ATOM 314 N TYR A 357 11.806 2.531 -0.491 1.00 0.05 N ATOM 315 CA TYR A 357 13.026 3.096 0.020 1.00 0.06 C ATOM 316 C TYR A 357 14.111 2.066 0.019 1.00 0.06 C ATOM 317 O TYR A 357 14.013 1.054 0.690 1.00 0.07 O ATOM 318 CB TYR A 357 12.868 3.643 1.433 1.00 0.07 C ATOM 319 CG TYR A 357 12.515 5.105 1.507 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.209 5.545 1.332 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.502 6.043 1.756 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.893 6.894 1.402 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.204 7.383 1.828 1.00 0.11 C ATOM 324 CZ TYR A 357 11.898 7.811 1.650 1.00 0.11 C ATOM 325 OH TYR A 357 11.601 9.155 1.714 1.00 0.14 O ATOM 0 H TYR A 357 11.519 1.665 -0.036 1.00 0.05 H new ATOM 0 HA TYR A 357 13.286 3.926 -0.637 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.095 3.070 1.945 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.798 3.480 1.977 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.427 4.825 1.138 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.522 5.717 1.896 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.874 7.224 1.264 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.987 8.101 2.023 1.00 0.11 H new ATOM 0 HH TYR A 357 12.419 9.662 1.897 1.00 0.14 H new ATOM 335 N LYS A 358 15.117 2.327 -0.760 1.00 0.07 N ATOM 336 CA LYS A 358 16.340 1.577 -0.706 1.00 0.09 C ATOM 337 C LYS A 358 17.417 2.556 -0.318 1.00 0.13 C ATOM 338 O LYS A 358 17.422 3.665 -0.785 1.00 0.25 O ATOM 339 CB LYS A 358 16.681 0.962 -2.048 1.00 0.11 C ATOM 340 CG LYS A 358 17.686 -0.140 -1.931 1.00 0.12 C ATOM 341 CD LYS A 358 17.031 -1.300 -1.300 1.00 0.09 C ATOM 342 CE LYS A 358 16.502 -2.201 -2.360 1.00 0.09 C ATOM 343 NZ LYS A 358 15.992 -3.484 -1.814 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.114 3.072 -1.457 1.00 0.07 H new ATOM 0 HA LYS A 358 16.246 0.757 0.006 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.772 0.574 -2.508 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.069 1.735 -2.711 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.070 -0.410 -2.915 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.538 0.185 -1.335 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.742 -1.837 -0.672 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.221 -0.967 -0.652 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.700 -1.694 -2.896 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.290 -2.406 -3.085 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.714 -4.109 -2.598 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.738 -3.943 -1.253 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.167 -3.300 -1.208 1.00 0.10 H new ATOM 357 N ASP A 359 18.308 2.132 0.546 1.00 0.13 N ATOM 358 CA ASP A 359 19.496 2.913 0.897 1.00 0.16 C ATOM 359 C ASP A 359 19.177 4.167 1.674 1.00 0.16 C ATOM 360 O ASP A 359 20.021 5.051 1.810 1.00 0.28 O ATOM 361 CB ASP A 359 20.281 3.312 -0.334 1.00 0.19 C ATOM 362 CG ASP A 359 21.744 2.933 -0.246 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.092 1.787 -0.598 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.556 3.779 0.181 1.00 0.39 O1- ATOM 0 H ASP A 359 18.241 1.238 1.032 1.00 0.13 H new ATOM 0 HA ASP A 359 20.089 2.253 1.530 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.840 2.837 -1.210 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.198 4.389 -0.479 1.00 0.19 H new ATOM 369 N GLY A 360 17.975 4.212 2.226 1.00 0.15 N ATOM 370 CA GLY A 360 17.508 5.413 2.892 1.00 0.15 C ATOM 371 C GLY A 360 17.045 6.460 1.942 1.00 0.14 C ATOM 372 O GLY A 360 16.711 7.580 2.327 1.00 0.18 O ATOM 0 H GLY A 360 17.312 3.437 2.226 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.691 5.154 3.566 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.312 5.817 3.507 1.00 0.15 H new ATOM 376 N LYS A 361 16.993 6.062 0.717 1.00 0.13 N ATOM 377 CA LYS A 361 16.551 6.887 -0.360 1.00 0.13 C ATOM 378 C LYS A 361 15.510 6.060 -1.065 1.00 0.09 C ATOM 379 O LYS A 361 15.221 4.958 -0.626 1.00 0.12 O ATOM 380 CB LYS A 361 17.758 7.163 -1.227 1.00 0.16 C ATOM 381 CG LYS A 361 18.233 5.941 -1.973 1.00 0.17 C ATOM 382 CD LYS A 361 19.253 6.265 -3.014 1.00 0.23 C ATOM 383 CE LYS A 361 18.658 7.169 -4.066 1.00 0.26 C ATOM 384 NZ LYS A 361 19.445 7.154 -5.328 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.265 5.123 0.426 1.00 0.13 H new ATOM 0 HA LYS A 361 16.127 7.848 -0.068 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.514 7.948 -1.943 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.569 7.541 -0.604 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.656 5.229 -1.264 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.380 5.453 -2.445 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.113 6.750 -2.552 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.615 5.347 -3.476 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.634 6.857 -4.274 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.609 8.188 -3.682 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 19.000 7.788 -6.022 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.415 7.476 -5.136 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.471 6.187 -5.710 1.00 0.37 H new ATOM 398 N VAL A 362 14.886 6.558 -2.091 1.00 0.09 N ATOM 399 CA VAL A 362 13.853 5.757 -2.686 1.00 0.07 C ATOM 400 C VAL A 362 14.186 5.106 -3.973 1.00 0.07 C ATOM 401 O VAL A 362 15.063 5.516 -4.733 1.00 0.10 O ATOM 402 CB VAL A 362 12.538 6.464 -2.841 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.123 7.002 -1.524 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.579 7.530 -3.864 1.00 0.09 C ATOM 0 H VAL A 362 15.059 7.468 -2.518 1.00 0.09 H new ATOM 0 HA VAL A 362 13.762 4.969 -1.939 1.00 0.07 H new ATOM 0 HB VAL A 362 11.803 5.741 -3.194 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.168 7.518 -1.626 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.019 6.183 -0.813 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.877 7.702 -1.163 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.601 8.006 -3.933 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.326 8.273 -3.585 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.840 7.098 -4.830 1.00 0.09 H new ATOM 414 N ALA A 363 13.403 4.077 -4.186 1.00 0.05 N ATOM 415 CA ALA A 363 13.490 3.252 -5.327 1.00 0.05 C ATOM 416 C ALA A 363 12.284 3.541 -6.149 1.00 0.05 C ATOM 417 O ALA A 363 12.246 3.382 -7.368 1.00 0.07 O ATOM 418 CB ALA A 363 13.491 1.804 -4.899 1.00 0.05 C ATOM 0 H ALA A 363 12.668 3.796 -3.537 1.00 0.05 H new ATOM 0 HA ALA A 363 14.403 3.440 -5.892 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.558 1.164 -5.779 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.346 1.617 -4.249 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.570 1.583 -4.360 1.00 0.05 H new ATOM 424 N LEU A 364 11.289 3.962 -5.409 1.00 0.04 N ATOM 425 CA LEU A 364 9.999 4.241 -5.927 1.00 0.04 C ATOM 426 C LEU A 364 9.477 5.522 -5.413 1.00 0.05 C ATOM 427 O LEU A 364 9.677 5.897 -4.260 1.00 0.06 O ATOM 428 CB LEU A 364 9.077 3.133 -5.513 1.00 0.04 C ATOM 429 CG LEU A 364 8.391 2.454 -6.649 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.410 2.131 -7.696 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.745 1.207 -6.161 1.00 0.05 C ATOM 0 H LEU A 364 11.369 4.120 -4.405 1.00 0.04 H new ATOM 0 HA LEU A 364 10.063 4.315 -7.013 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.646 2.392 -4.952 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.323 3.536 -4.836 1.00 0.04 H new ATOM 0 HG LEU A 364 7.625 3.103 -7.072 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.924 1.633 -8.535 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.880 3.051 -8.043 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.169 1.473 -7.274 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.243 0.709 -6.990 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.503 0.544 -5.745 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.015 1.453 -5.390 1.00 0.05 H new ATOM 443 N GLU A 365 8.777 6.156 -6.285 1.00 0.05 N ATOM 444 CA GLU A 365 8.120 7.361 -5.990 1.00 0.06 C ATOM 445 C GLU A 365 6.830 7.261 -6.707 1.00 0.05 C ATOM 446 O GLU A 365 6.812 7.170 -7.931 1.00 0.07 O ATOM 447 CB GLU A 365 8.942 8.494 -6.544 1.00 0.10 C ATOM 448 CG GLU A 365 9.130 9.655 -5.594 1.00 0.16 C ATOM 449 CD GLU A 365 10.267 10.559 -6.009 1.00 0.27 C ATOM 450 OE1 GLU A 365 10.136 11.248 -7.042 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.309 10.568 -5.323 1.00 0.48 O ATOM 0 H GLU A 365 8.647 5.836 -7.245 1.00 0.05 H new ATOM 0 HA GLU A 365 7.978 7.535 -4.923 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.922 8.110 -6.827 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.467 8.859 -7.455 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.208 10.234 -5.545 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.320 9.273 -4.591 1.00 0.16 H new ATOM 458 N THR A 366 5.754 7.274 -5.995 1.00 0.05 N ATOM 459 CA THR A 366 4.527 7.178 -6.661 1.00 0.06 C ATOM 460 C THR A 366 3.450 7.898 -5.920 1.00 0.06 C ATOM 461 O THR A 366 3.583 8.230 -4.762 1.00 0.07 O ATOM 462 CB THR A 366 4.164 5.704 -6.871 1.00 0.06 C ATOM 463 OG1 THR A 366 3.586 5.509 -8.144 1.00 0.07 O ATOM 464 CG2 THR A 366 3.193 5.238 -5.820 1.00 0.07 C ATOM 0 H THR A 366 5.710 7.349 -4.979 1.00 0.05 H new ATOM 0 HA THR A 366 4.622 7.657 -7.635 1.00 0.06 H new ATOM 0 HB THR A 366 5.085 5.125 -6.796 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.059 6.056 -8.805 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.950 4.189 -5.989 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.642 5.352 -4.833 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.283 5.835 -5.875 1.00 0.07 H new ATOM 472 N ASP A 367 2.397 8.142 -6.603 1.00 0.07 N ATOM 473 CA ASP A 367 1.296 8.842 -6.065 1.00 0.09 C ATOM 474 C ASP A 367 0.186 7.862 -5.734 1.00 0.09 C ATOM 475 O ASP A 367 -0.058 6.920 -6.474 1.00 0.11 O ATOM 476 CB ASP A 367 0.912 9.883 -7.095 1.00 0.13 C ATOM 477 CG ASP A 367 0.602 9.341 -8.487 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.149 8.288 -8.880 1.00 1.65 O ATOM 479 OD2 ASP A 367 -0.156 10.010 -9.221 1.00 1.80 O1- ATOM 0 H ASP A 367 2.274 7.854 -7.574 1.00 0.07 H new ATOM 0 HA ASP A 367 1.524 9.347 -5.127 1.00 0.09 H new ATOM 0 HB2 ASP A 367 0.039 10.425 -6.732 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.724 10.606 -7.177 1.00 0.13 H new ATOM 484 N ILE A 368 -0.424 8.042 -4.569 1.00 0.09 N ATOM 485 CA ILE A 368 -1.364 7.064 -4.043 1.00 0.08 C ATOM 486 C ILE A 368 -2.589 7.695 -3.479 1.00 0.07 C ATOM 487 O ILE A 368 -2.792 8.903 -3.533 1.00 0.08 O ATOM 488 CB ILE A 368 -0.761 6.206 -2.931 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.035 7.047 -1.971 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.090 5.134 -3.523 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.789 7.674 -0.864 1.00 0.08 C ATOM 0 H ILE A 368 -0.284 8.857 -3.972 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.616 6.446 -4.904 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.574 5.743 -2.371 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.814 6.429 -1.524 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.537 7.838 -2.528 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.517 4.526 -2.725 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.518 4.505 -4.173 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.894 5.587 -4.104 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.140 8.263 -0.216 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.551 8.320 -1.299 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.269 6.890 -0.279 1.00 0.08 H new ATOM 503 N VAL A 369 -3.374 6.837 -2.898 1.00 0.07 N ATOM 504 CA VAL A 369 -4.538 7.222 -2.156 1.00 0.08 C ATOM 505 C VAL A 369 -4.766 6.179 -1.076 1.00 0.09 C ATOM 506 O VAL A 369 -4.870 4.985 -1.346 1.00 0.10 O ATOM 507 CB VAL A 369 -5.799 7.448 -3.055 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.518 7.188 -4.541 1.00 0.10 C ATOM 509 CG2 VAL A 369 -6.987 6.625 -2.575 1.00 0.09 C ATOM 0 H VAL A 369 -3.220 5.829 -2.927 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.366 8.196 -1.698 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.057 8.503 -2.958 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.426 7.359 -5.119 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.735 7.863 -4.887 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.192 6.156 -4.675 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.843 6.809 -3.224 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.731 5.566 -2.603 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.238 6.910 -1.554 1.00 0.09 H new ATOM 519 N SER A 370 -4.727 6.653 0.150 1.00 0.09 N ATOM 520 CA SER A 370 -4.901 5.813 1.325 1.00 0.08 C ATOM 521 C SER A 370 -6.381 5.533 1.555 1.00 0.08 C ATOM 522 O SER A 370 -7.191 5.782 0.665 1.00 0.10 O ATOM 523 CB SER A 370 -4.214 6.397 2.565 1.00 0.13 C ATOM 524 OG SER A 370 -3.492 5.396 3.231 1.00 1.26 O ATOM 0 H SER A 370 -4.573 7.638 0.366 1.00 0.09 H new ATOM 0 HA SER A 370 -4.405 4.861 1.138 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.545 7.206 2.273 1.00 0.13 H new ATOM 0 HB3 SER A 370 -4.959 6.826 3.235 1.00 0.13 H new ATOM 0 HG SER A 370 -4.022 4.572 3.255 1.00 1.26 H new ATOM 530 N GLY A 371 -6.756 4.985 2.693 1.00 0.09 N ATOM 531 CA GLY A 371 -8.135 4.584 2.841 1.00 0.12 C ATOM 532 C GLY A 371 -9.034 5.730 3.266 1.00 0.12 C ATOM 533 O GLY A 371 -8.566 6.795 3.679 1.00 0.14 O ATOM 0 H GLY A 371 -6.152 4.813 3.497 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.494 4.177 1.896 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.200 3.784 3.578 1.00 0.12 H new ATOM 537 N LYS A 372 -10.332 5.499 3.123 1.00 0.16 N ATOM 538 CA LYS A 372 -11.349 6.544 3.218 1.00 0.16 C ATOM 539 C LYS A 372 -11.461 7.119 4.640 1.00 0.18 C ATOM 540 O LYS A 372 -11.123 6.471 5.620 1.00 0.21 O ATOM 541 CB LYS A 372 -12.689 5.949 2.781 1.00 0.19 C ATOM 542 CG LYS A 372 -13.342 5.125 3.857 1.00 0.27 C ATOM 543 CD LYS A 372 -13.853 3.824 3.307 1.00 0.47 C ATOM 544 CE LYS A 372 -14.999 4.067 2.370 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.498 2.815 1.747 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.715 4.572 2.936 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.063 7.371 2.568 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.361 6.756 2.490 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.535 5.328 1.898 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.626 4.930 4.655 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.166 5.685 4.299 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.051 3.303 2.784 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.173 3.177 4.124 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.812 4.548 2.913 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.685 4.758 1.588 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.487 2.944 1.453 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -14.917 2.585 0.916 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.440 2.038 2.435 1.00 0.79 H new ATOM 559 N PRO A 373 -11.962 8.373 4.729 1.00 0.19 N ATOM 560 CA PRO A 373 -12.040 9.177 5.968 1.00 0.21 C ATOM 561 C PRO A 373 -12.781 8.507 7.080 1.00 0.24 C ATOM 562 O PRO A 373 -12.557 8.776 8.254 1.00 0.28 O ATOM 563 CB PRO A 373 -12.887 10.352 5.540 1.00 0.23 C ATOM 564 CG PRO A 373 -12.576 10.522 4.122 1.00 0.21 C ATOM 565 CD PRO A 373 -12.499 9.130 3.591 1.00 0.19 C ATOM 0 HA PRO A 373 -11.039 9.390 6.344 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.948 10.155 5.694 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.643 11.248 6.111 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.347 11.100 3.612 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.635 11.053 3.982 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.478 8.760 3.285 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.847 9.066 2.720 1.00 0.19 H new ATOM 573 N THR A 374 -13.730 7.707 6.676 1.00 0.25 N ATOM 574 CA THR A 374 -14.605 7.025 7.605 1.00 0.28 C ATOM 575 C THR A 374 -13.814 5.980 8.375 1.00 0.30 C ATOM 576 O THR A 374 -14.099 5.664 9.533 1.00 0.33 O ATOM 577 CB THR A 374 -15.770 6.348 6.861 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.305 5.204 6.141 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.385 7.318 5.882 1.00 0.29 C ATOM 0 H THR A 374 -13.923 7.506 5.695 1.00 0.25 H new ATOM 0 HA THR A 374 -15.017 7.759 8.297 1.00 0.28 H new ATOM 0 HB THR A 374 -16.512 6.038 7.597 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.644 4.389 6.567 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.209 6.833 5.358 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.759 8.189 6.419 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.632 7.633 5.160 1.00 0.29 H new ATOM 587 N THR A 375 -12.813 5.461 7.696 1.00 0.28 N ATOM 588 CA THR A 375 -11.919 4.456 8.237 1.00 0.31 C ATOM 589 C THR A 375 -10.506 4.710 7.762 1.00 0.29 C ATOM 590 O THR A 375 -9.929 3.993 6.939 1.00 0.29 O ATOM 591 CB THR A 375 -12.399 3.065 7.880 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.376 2.087 8.111 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.855 3.038 6.433 1.00 0.31 C ATOM 0 H THR A 375 -12.593 5.729 6.737 1.00 0.28 H new ATOM 0 HA THR A 375 -11.920 4.524 9.325 1.00 0.31 H new ATOM 0 HB THR A 375 -13.242 2.812 8.523 1.00 0.34 H new ATOM 0 HG1 THR A 375 -10.616 2.262 7.517 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.200 2.036 6.179 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.670 3.748 6.295 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.023 3.311 5.784 1.00 0.31 H new ATOM 601 N PRO A 376 -9.972 5.769 8.312 1.00 0.28 N ATOM 602 CA PRO A 376 -8.698 6.360 7.961 1.00 0.26 C ATOM 603 C PRO A 376 -7.540 5.421 8.109 1.00 0.26 C ATOM 604 O PRO A 376 -7.537 4.541 8.975 1.00 0.38 O ATOM 605 CB PRO A 376 -8.595 7.510 8.954 1.00 0.29 C ATOM 606 CG PRO A 376 -9.985 7.831 9.237 1.00 0.32 C ATOM 607 CD PRO A 376 -10.613 6.503 9.370 1.00 0.32 C ATOM 0 HA PRO A 376 -8.656 6.655 6.913 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.058 7.216 9.856 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.063 8.362 8.530 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.086 8.418 10.150 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.437 8.412 8.433 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.427 6.058 10.348 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.694 6.547 9.241 1.00 0.32 H new ATOM 615 N THR A 377 -6.553 5.603 7.267 1.00 0.17 N ATOM 616 CA THR A 377 -5.367 4.826 7.385 1.00 0.21 C ATOM 617 C THR A 377 -4.520 5.398 8.533 1.00 0.17 C ATOM 618 O THR A 377 -4.512 6.608 8.778 1.00 0.21 O ATOM 619 CB THR A 377 -4.598 4.758 6.040 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.397 3.390 5.668 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.257 5.452 6.106 1.00 0.22 C ATOM 0 H THR A 377 -6.556 6.278 6.503 1.00 0.17 H new ATOM 0 HA THR A 377 -5.619 3.793 7.625 1.00 0.21 H new ATOM 0 HB THR A 377 -5.205 5.274 5.297 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.249 3.000 5.381 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.760 5.375 5.139 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.403 6.503 6.357 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.640 4.979 6.870 1.00 0.22 H new ATOM 629 N PRO A 378 -3.833 4.517 9.271 1.00 0.14 N ATOM 630 CA PRO A 378 -3.186 4.834 10.550 1.00 0.15 C ATOM 631 C PRO A 378 -1.915 5.624 10.352 1.00 0.13 C ATOM 632 O PRO A 378 -1.672 6.623 11.029 1.00 0.16 O ATOM 633 CB PRO A 378 -2.836 3.434 11.092 1.00 0.17 C ATOM 634 CG PRO A 378 -3.651 2.503 10.271 1.00 0.19 C ATOM 635 CD PRO A 378 -3.594 3.122 8.928 1.00 0.17 C ATOM 0 HA PRO A 378 -3.817 5.437 11.203 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.771 3.224 10.991 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.079 3.346 12.151 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.237 1.495 10.270 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.674 2.427 10.639 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.629 2.973 8.443 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.354 2.724 8.255 1.00 0.17 H new ATOM 643 N ALA A 379 -1.137 5.162 9.398 1.00 0.11 N ATOM 644 CA ALA A 379 0.195 5.661 9.138 1.00 0.10 C ATOM 645 C ALA A 379 1.134 5.501 10.321 1.00 0.10 C ATOM 646 O ALA A 379 0.788 5.706 11.487 1.00 0.13 O ATOM 647 CB ALA A 379 0.188 7.080 8.623 1.00 0.11 C ATOM 0 H ALA A 379 -1.420 4.412 8.767 1.00 0.11 H new ATOM 0 HA ALA A 379 0.591 5.030 8.342 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.212 7.407 8.444 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.376 7.126 7.691 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.277 7.733 9.362 1.00 0.11 H new ATOM 653 N GLY A 380 2.330 5.123 9.963 1.00 0.10 N ATOM 654 CA GLY A 380 3.387 4.851 10.890 1.00 0.11 C ATOM 655 C GLY A 380 4.322 3.840 10.294 1.00 0.12 C ATOM 656 O GLY A 380 4.903 4.077 9.243 1.00 0.20 O ATOM 0 H GLY A 380 2.601 4.993 8.988 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.926 5.769 11.123 1.00 0.11 H new ATOM 0 HA3 GLY A 380 2.976 4.475 11.827 1.00 0.11 H new ATOM 660 N VAL A 381 4.427 2.696 10.934 1.00 0.12 N ATOM 661 CA VAL A 381 5.260 1.631 10.435 1.00 0.13 C ATOM 662 C VAL A 381 4.483 0.304 10.406 1.00 0.15 C ATOM 663 O VAL A 381 4.032 -0.212 11.432 1.00 0.25 O ATOM 664 CB VAL A 381 6.534 1.536 11.291 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.264 0.951 12.667 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.617 0.758 10.561 1.00 0.82 C ATOM 0 H VAL A 381 3.942 2.482 11.805 1.00 0.12 H new ATOM 0 HA VAL A 381 5.556 1.847 9.408 1.00 0.13 H new ATOM 0 HB VAL A 381 6.892 2.553 11.451 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.195 0.905 13.232 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.549 1.581 13.196 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.854 -0.053 12.561 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.509 0.703 11.185 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.260 -0.250 10.348 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.859 1.262 9.625 1.00 0.82 H new ATOM 676 N PHE A 382 4.264 -0.200 9.208 1.00 0.09 N ATOM 677 CA PHE A 382 3.643 -1.493 9.008 1.00 0.09 C ATOM 678 C PHE A 382 4.709 -2.422 8.397 1.00 0.09 C ATOM 679 O PHE A 382 5.867 -2.022 8.302 1.00 0.10 O ATOM 680 CB PHE A 382 2.379 -1.394 8.138 1.00 0.10 C ATOM 681 CG PHE A 382 1.520 -0.170 8.398 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.240 0.245 9.694 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.006 0.582 7.341 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.469 1.370 9.930 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.244 1.703 7.579 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.027 2.097 8.871 1.00 0.18 C ATOM 0 H PHE A 382 4.513 0.278 8.342 1.00 0.09 H new ATOM 0 HA PHE A 382 3.299 -1.901 9.958 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.676 -1.396 7.089 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.774 -2.286 8.299 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.629 -0.318 10.529 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.209 0.281 6.324 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.257 1.677 10.943 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.143 2.276 6.750 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.628 2.976 9.053 1.00 0.18 H new ATOM 696 N TYR A 383 4.384 -3.644 7.998 1.00 0.11 N ATOM 697 CA TYR A 383 5.449 -4.566 7.585 1.00 0.11 C ATOM 698 C TYR A 383 5.081 -5.418 6.370 1.00 0.11 C ATOM 699 O TYR A 383 4.076 -6.124 6.378 1.00 0.13 O ATOM 700 CB TYR A 383 5.759 -5.479 8.763 1.00 0.13 C ATOM 701 CG TYR A 383 7.221 -5.787 8.922 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.135 -4.782 9.185 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.682 -7.087 8.793 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.478 -5.060 9.311 1.00 0.39 C ATOM 705 CE2 TYR A 383 9.020 -7.381 8.923 1.00 0.49 C ATOM 706 CZ TYR A 383 9.913 -6.346 9.254 1.00 0.50 C ATOM 707 OH TYR A 383 11.254 -6.658 9.292 1.00 0.65 O ATOM 0 H TYR A 383 3.435 -4.015 7.949 1.00 0.11 H new ATOM 0 HA TYR A 383 6.311 -3.968 7.290 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.394 -5.013 9.678 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.211 -6.413 8.641 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.790 -3.764 9.293 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.980 -7.882 8.587 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.185 -4.256 9.455 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.378 -8.389 8.773 1.00 0.49 H new ATOM 0 HH TYR A 383 11.613 -6.672 8.380 1.00 0.65 H new ATOM 717 N VAL A 384 5.906 -5.346 5.316 1.00 0.09 N ATOM 718 CA VAL A 384 5.787 -6.284 4.206 1.00 0.09 C ATOM 719 C VAL A 384 6.649 -7.490 4.471 1.00 0.13 C ATOM 720 O VAL A 384 7.841 -7.548 4.153 1.00 0.16 O ATOM 721 CB VAL A 384 6.123 -5.708 2.816 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.387 -4.899 2.856 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.242 -6.829 1.774 1.00 0.08 C ATOM 0 H VAL A 384 6.651 -4.656 5.215 1.00 0.09 H new ATOM 0 HA VAL A 384 4.730 -6.546 4.163 1.00 0.09 H new ATOM 0 HB VAL A 384 5.305 -5.049 2.525 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.599 -4.506 1.862 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.268 -4.072 3.556 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.214 -5.531 3.180 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.479 -6.398 0.801 1.00 0.08 H new ATOM 0 HG22 VAL A 384 7.034 -7.517 2.069 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.297 -7.369 1.711 1.00 0.08 H new ATOM 733 N TRP A 385 6.019 -8.452 5.060 1.00 0.18 N ATOM 734 CA TRP A 385 6.656 -9.705 5.340 1.00 0.23 C ATOM 735 C TRP A 385 6.372 -10.650 4.184 1.00 0.12 C ATOM 736 O TRP A 385 6.628 -11.852 4.246 1.00 0.21 O ATOM 737 CB TRP A 385 6.209 -10.254 6.698 1.00 0.48 C ATOM 738 CG TRP A 385 4.728 -10.454 6.803 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.773 -9.490 7.012 1.00 0.57 C ATOM 740 CD2 TRP A 385 4.028 -11.698 6.711 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.534 -10.067 7.051 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.661 -11.415 6.864 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.424 -13.024 6.506 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.691 -12.404 6.824 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.455 -14.009 6.466 1.00 2.11 C ATOM 746 CH2 TRP A 385 2.100 -13.693 6.625 1.00 2.55 C ATOM 0 H TRP A 385 5.047 -8.396 5.363 1.00 0.18 H new ATOM 0 HA TRP A 385 7.736 -9.581 5.421 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.710 -11.205 6.879 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.532 -9.569 7.482 1.00 0.48 H new ATOM 0 HD1 TRP A 385 3.971 -8.435 7.128 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.655 -9.571 7.196 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.467 -13.273 6.381 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.645 -12.164 6.946 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.747 -15.037 6.310 1.00 2.11 H new ATOM 0 HH2 TRP A 385 1.364 -14.483 6.590 1.00 2.55 H new ATOM 757 N ASN A 386 5.831 -10.054 3.117 1.00 0.10 N ATOM 758 CA ASN A 386 5.629 -10.738 1.849 1.00 0.14 C ATOM 759 C ASN A 386 5.248 -9.739 0.762 1.00 0.11 C ATOM 760 O ASN A 386 4.324 -8.956 0.913 1.00 0.12 O ATOM 761 CB ASN A 386 4.521 -11.782 1.984 1.00 0.27 C ATOM 762 CG ASN A 386 4.330 -12.589 0.712 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.958 -13.630 0.523 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.464 -12.119 -0.167 1.00 0.31 N ATOM 0 H ASN A 386 5.522 -9.082 3.115 1.00 0.10 H new ATOM 0 HA ASN A 386 6.561 -11.231 1.574 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.759 -12.456 2.807 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.585 -11.284 2.240 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.297 -12.623 -1.038 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.962 -11.252 0.025 1.00 0.31 H new ATOM 771 N LYS A 387 5.997 -9.786 -0.320 1.00 0.11 N ATOM 772 CA LYS A 387 5.681 -9.080 -1.565 1.00 0.09 C ATOM 773 C LYS A 387 5.019 -10.049 -2.533 1.00 0.08 C ATOM 774 O LYS A 387 5.416 -11.210 -2.622 1.00 0.13 O ATOM 775 CB LYS A 387 6.955 -8.489 -2.202 1.00 0.13 C ATOM 776 CG LYS A 387 8.266 -8.980 -1.604 1.00 0.38 C ATOM 777 CD LYS A 387 8.425 -10.465 -1.793 1.00 0.20 C ATOM 778 CE LYS A 387 8.860 -10.821 -3.187 1.00 0.40 C ATOM 779 NZ LYS A 387 9.017 -12.289 -3.362 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.862 -10.324 -0.370 1.00 0.11 H new ATOM 0 HA LYS A 387 5.002 -8.257 -1.341 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.951 -8.721 -3.267 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.917 -7.403 -2.112 1.00 0.13 H new ATOM 0 HG2 LYS A 387 9.101 -8.459 -2.073 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.297 -8.740 -0.541 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.157 -10.843 -1.079 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.479 -10.960 -1.573 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.128 -10.447 -3.902 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.805 -10.326 -3.410 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 8.592 -12.578 -4.266 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.028 -12.533 -3.361 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.541 -12.785 -2.581 1.00 1.12 H new ATOM 793 N GLU A 388 4.019 -9.561 -3.257 1.00 0.09 N ATOM 794 CA GLU A 388 3.139 -10.422 -4.035 1.00 0.10 C ATOM 795 C GLU A 388 3.063 -10.079 -5.501 1.00 0.10 C ATOM 796 O GLU A 388 3.305 -8.953 -5.917 1.00 0.10 O ATOM 797 CB GLU A 388 1.743 -10.322 -3.473 1.00 0.09 C ATOM 798 CG GLU A 388 1.467 -11.319 -2.426 1.00 0.15 C ATOM 799 CD GLU A 388 1.571 -12.749 -2.918 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.647 -13.206 -3.623 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.571 -13.424 -2.600 1.00 0.71 O1- ATOM 0 H GLU A 388 3.797 -8.567 -3.321 1.00 0.09 H new ATOM 0 HA GLU A 388 3.560 -11.425 -3.961 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.594 -9.323 -3.063 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.023 -10.445 -4.282 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.166 -11.174 -1.602 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.466 -11.151 -2.028 1.00 0.15 H new ATOM 808 N GLU A 389 2.680 -11.097 -6.245 1.00 0.10 N ATOM 809 CA GLU A 389 2.396 -11.025 -7.653 1.00 0.11 C ATOM 810 C GLU A 389 1.145 -11.819 -7.927 1.00 0.16 C ATOM 811 O GLU A 389 1.053 -12.984 -7.530 1.00 0.28 O ATOM 812 CB GLU A 389 3.522 -11.598 -8.485 1.00 0.14 C ATOM 813 CG GLU A 389 4.698 -10.677 -8.627 1.00 0.16 C ATOM 814 CD GLU A 389 5.779 -11.253 -9.518 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.284 -12.350 -9.211 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.114 -10.621 -10.544 1.00 0.38 O ATOM 0 H GLU A 389 2.555 -12.034 -5.863 1.00 0.10 H new ATOM 0 HA GLU A 389 2.274 -9.976 -7.924 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.856 -12.532 -8.033 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.141 -11.842 -9.477 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.362 -9.724 -9.037 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.115 -10.470 -7.641 1.00 0.16 H new ATOM 823 N ASP A 390 0.197 -11.191 -8.596 1.00 0.12 N ATOM 824 CA ASP A 390 -1.089 -11.807 -8.886 1.00 0.15 C ATOM 825 C ASP A 390 -1.721 -12.273 -7.577 1.00 0.16 C ATOM 826 O ASP A 390 -2.154 -13.410 -7.403 1.00 0.25 O ATOM 827 CB ASP A 390 -0.876 -12.935 -9.888 1.00 0.19 C ATOM 828 CG ASP A 390 -2.146 -13.701 -10.229 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.031 -13.133 -10.907 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.273 -14.875 -9.817 1.00 0.36 O1- ATOM 0 H ASP A 390 0.294 -10.241 -8.954 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.782 -11.099 -9.340 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.456 -12.520 -10.804 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.140 -13.631 -9.486 1.00 0.19 H new ATOM 835 N ALA A 391 -1.700 -11.339 -6.641 1.00 0.12 N ATOM 836 CA ALA A 391 -2.274 -11.489 -5.320 1.00 0.11 C ATOM 837 C ALA A 391 -3.748 -11.195 -5.386 1.00 0.10 C ATOM 838 O ALA A 391 -4.235 -10.700 -6.390 1.00 0.11 O ATOM 839 CB ALA A 391 -1.624 -10.494 -4.395 1.00 0.10 C ATOM 0 H ALA A 391 -1.268 -10.427 -6.787 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.113 -12.505 -4.958 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.047 -10.596 -3.396 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.551 -10.681 -4.355 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.803 -9.484 -4.763 1.00 0.10 H new ATOM 845 N THR A 392 -4.468 -11.512 -4.347 1.00 0.11 N ATOM 846 CA THR A 392 -5.840 -11.076 -4.260 1.00 0.11 C ATOM 847 C THR A 392 -6.152 -10.476 -2.908 1.00 0.11 C ATOM 848 O THR A 392 -6.045 -11.120 -1.869 1.00 0.14 O ATOM 849 CB THR A 392 -6.849 -12.187 -4.594 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.516 -12.795 -5.848 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.251 -11.613 -4.679 1.00 0.15 C ATOM 0 H THR A 392 -4.137 -12.064 -3.556 1.00 0.11 H new ATOM 0 HA THR A 392 -5.949 -10.302 -5.020 1.00 0.11 H new ATOM 0 HB THR A 392 -6.810 -12.936 -3.803 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.163 -13.502 -6.051 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.956 -12.409 -4.916 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.519 -11.164 -3.723 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.286 -10.853 -5.459 1.00 0.15 H new ATOM 859 N LEU A 393 -6.536 -9.228 -2.962 1.00 0.10 N ATOM 860 CA LEU A 393 -6.884 -8.455 -1.785 1.00 0.12 C ATOM 861 C LEU A 393 -8.279 -8.733 -1.316 1.00 0.15 C ATOM 862 O LEU A 393 -9.246 -8.116 -1.751 1.00 0.16 O ATOM 863 CB LEU A 393 -6.756 -7.002 -2.128 1.00 0.11 C ATOM 864 CG LEU A 393 -5.374 -6.400 -2.023 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.351 -7.353 -2.561 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.341 -5.142 -2.830 1.00 0.51 C ATOM 0 H LEU A 393 -6.619 -8.707 -3.835 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.210 -8.735 -0.976 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.112 -6.860 -3.148 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.423 -6.438 -1.476 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.148 -6.192 -0.977 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.360 -6.907 -2.479 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.380 -8.280 -1.988 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.568 -7.567 -3.608 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.349 -4.694 -2.765 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.568 -5.372 -3.871 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.081 -4.442 -2.443 1.00 0.51 H new ATOM 878 N LYS A 394 -8.359 -9.673 -0.447 1.00 0.18 N ATOM 879 CA LYS A 394 -9.596 -10.049 0.171 1.00 0.23 C ATOM 880 C LYS A 394 -9.743 -9.516 1.559 1.00 0.29 C ATOM 881 O LYS A 394 -8.869 -8.815 2.077 1.00 0.29 O ATOM 882 CB LYS A 394 -9.601 -11.512 0.190 1.00 0.25 C ATOM 883 CG LYS A 394 -9.595 -12.015 -1.176 1.00 0.23 C ATOM 884 CD LYS A 394 -10.092 -13.361 -1.174 1.00 0.27 C ATOM 885 CE LYS A 394 -9.452 -14.022 -2.312 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.755 -15.474 -2.404 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.556 -10.219 -0.133 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.432 -9.631 -0.390 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.729 -11.882 0.729 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.481 -11.876 0.719 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.215 -11.384 -1.813 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.585 -11.986 -1.585 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.848 -13.867 -0.240 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.177 -13.378 -1.272 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.772 -13.534 -3.232 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.373 -13.888 -2.239 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.271 -15.878 -3.231 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.425 -15.953 -1.542 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.781 -15.609 -2.504 1.00 0.33 H new ATOM 900 N GLY A 395 -10.881 -9.815 2.135 1.00 0.34 N ATOM 901 CA GLY A 395 -11.160 -9.327 3.449 1.00 0.41 C ATOM 902 C GLY A 395 -12.571 -8.845 3.567 1.00 0.46 C ATOM 903 O GLY A 395 -13.437 -9.240 2.784 1.00 0.43 O ATOM 0 H GLY A 395 -11.615 -10.386 1.717 1.00 0.34 H new ATOM 0 HA2 GLY A 395 -10.983 -10.118 4.177 1.00 0.41 H new ATOM 0 HA3 GLY A 395 -10.475 -8.514 3.689 1.00 0.41 H new ATOM 907 N THR A 396 -12.813 -7.977 4.523 1.00 0.53 N ATOM 908 CA THR A 396 -14.077 -7.317 4.590 1.00 0.58 C ATOM 909 C THR A 396 -13.914 -5.826 4.426 1.00 0.61 C ATOM 910 O THR A 396 -12.960 -5.237 4.928 1.00 0.66 O ATOM 911 CB THR A 396 -14.821 -7.582 5.898 1.00 0.67 C ATOM 912 OG1 THR A 396 -14.636 -8.941 6.307 1.00 0.69 O ATOM 913 CG2 THR A 396 -16.285 -7.313 5.691 1.00 0.71 C ATOM 0 H THR A 396 -12.151 -7.720 5.255 1.00 0.53 H new ATOM 0 HA THR A 396 -14.668 -7.728 3.772 1.00 0.58 H new ATOM 0 HB THR A 396 -14.428 -6.927 6.675 1.00 0.67 H new ATOM 0 HG1 THR A 396 -15.116 -9.098 7.147 1.00 0.69 H new ATOM 0 HG21 THR A 396 -16.824 -7.500 6.620 1.00 0.71 H new ATOM 0 HG22 THR A 396 -16.425 -6.274 5.392 1.00 0.71 H new ATOM 0 HG23 THR A 396 -16.669 -7.970 4.910 1.00 0.71 H new ATOM 921 N ASN A 397 -14.832 -5.239 3.677 1.00 0.62 N ATOM 922 CA ASN A 397 -14.965 -3.814 3.615 1.00 0.71 C ATOM 923 C ASN A 397 -15.177 -3.277 4.995 1.00 0.84 C ATOM 924 O ASN A 397 -15.705 -3.956 5.878 1.00 0.84 O ATOM 925 CB ASN A 397 -16.164 -3.461 2.753 1.00 0.72 C ATOM 926 CG ASN A 397 -15.756 -3.178 1.331 1.00 0.69 C ATOM 927 OD1 ASN A 397 -15.495 -2.036 0.959 1.00 0.77 O ATOM 928 ND2 ASN A 397 -15.685 -4.223 0.531 1.00 0.59 N ATOM 0 H ASN A 397 -15.501 -5.747 3.099 1.00 0.62 H new ATOM 0 HA ASN A 397 -14.062 -3.380 3.186 1.00 0.71 H new ATOM 0 HB2 ASN A 397 -16.881 -4.282 2.771 1.00 0.72 H new ATOM 0 HB3 ASN A 397 -16.668 -2.589 3.169 1.00 0.72 H new ATOM 0 HD21 ASN A 397 -15.404 -4.102 -0.442 1.00 0.59 H new ATOM 0 HD22 ASN A 397 -15.911 -5.152 0.885 1.00 0.59 H new ATOM 935 N ASP A 398 -14.757 -2.043 5.141 1.00 0.97 N ATOM 936 CA ASP A 398 -14.921 -1.248 6.347 1.00 1.13 C ATOM 937 C ASP A 398 -16.329 -1.253 6.851 1.00 1.15 C ATOM 938 O ASP A 398 -16.610 -0.876 7.988 1.00 1.25 O ATOM 939 CB ASP A 398 -14.590 0.173 6.004 1.00 1.29 C ATOM 940 CG ASP A 398 -15.523 0.767 4.958 1.00 1.90 C ATOM 941 OD1 ASP A 398 -15.345 0.477 3.752 1.00 2.28 O ATOM 942 OD2 ASP A 398 -16.433 1.533 5.334 1.00 2.27 O1- ATOM 0 H ASP A 398 -14.272 -1.541 4.397 1.00 0.97 H new ATOM 0 HA ASP A 398 -14.274 -1.672 7.115 1.00 1.13 H new ATOM 0 HB2 ASP A 398 -14.635 0.779 6.909 1.00 1.29 H new ATOM 0 HB3 ASP A 398 -13.565 0.223 5.638 1.00 1.29 H new ATOM 947 N ASP A 399 -17.197 -1.652 5.979 1.00 1.06 N ATOM 948 CA ASP A 399 -18.608 -1.597 6.248 1.00 1.09 C ATOM 949 C ASP A 399 -19.076 -2.939 6.748 1.00 1.01 C ATOM 950 O ASP A 399 -20.115 -3.048 7.398 1.00 1.05 O ATOM 951 CB ASP A 399 -19.357 -1.197 4.989 1.00 1.09 C ATOM 952 CG ASP A 399 -20.798 -0.817 5.266 1.00 1.65 C ATOM 953 OD1 ASP A 399 -21.033 0.305 5.764 1.00 2.15 O ATOM 954 OD2 ASP A 399 -21.701 -1.629 4.979 1.00 2.27 O1- ATOM 0 H ASP A 399 -16.955 -2.025 5.061 1.00 1.06 H new ATOM 0 HA ASP A 399 -18.808 -0.850 7.016 1.00 1.09 H new ATOM 0 HB2 ASP A 399 -18.847 -0.356 4.519 1.00 1.09 H new ATOM 0 HB3 ASP A 399 -19.333 -2.023 4.278 1.00 1.09 H new ATOM 959 N GLY A 400 -18.304 -3.960 6.472 1.00 0.94 N ATOM 960 CA GLY A 400 -18.731 -5.279 6.806 1.00 0.92 C ATOM 961 C GLY A 400 -19.243 -6.021 5.606 1.00 0.84 C ATOM 962 O GLY A 400 -20.151 -6.847 5.698 1.00 0.90 O ATOM 0 H GLY A 400 -17.390 -3.897 6.023 1.00 0.94 H new ATOM 0 HA2 GLY A 400 -17.899 -5.830 7.246 1.00 0.92 H new ATOM 0 HA3 GLY A 400 -19.514 -5.227 7.562 1.00 0.92 H new ATOM 966 N THR A 401 -18.668 -5.697 4.475 1.00 0.76 N ATOM 967 CA THR A 401 -19.042 -6.310 3.225 1.00 0.68 C ATOM 968 C THR A 401 -17.803 -6.935 2.573 1.00 0.60 C ATOM 969 O THR A 401 -16.942 -6.242 2.033 1.00 0.57 O ATOM 970 CB THR A 401 -19.723 -5.270 2.306 1.00 0.70 C ATOM 971 OG1 THR A 401 -18.766 -4.423 1.663 1.00 0.69 O ATOM 972 CG2 THR A 401 -20.661 -4.407 3.127 1.00 0.81 C ATOM 0 H THR A 401 -17.927 -5.001 4.395 1.00 0.76 H new ATOM 0 HA THR A 401 -19.765 -7.106 3.401 1.00 0.68 H new ATOM 0 HB THR A 401 -20.272 -5.816 1.539 1.00 0.70 H new ATOM 0 HG1 THR A 401 -18.021 -4.965 1.330 1.00 0.69 H new ATOM 0 HG21 THR A 401 -21.141 -3.674 2.479 1.00 0.81 H new ATOM 0 HG22 THR A 401 -21.422 -5.035 3.590 1.00 0.81 H new ATOM 0 HG23 THR A 401 -20.095 -3.891 3.903 1.00 0.81 H new ATOM 980 N PRO A 402 -17.659 -8.255 2.690 1.00 0.57 N ATOM 981 CA PRO A 402 -16.483 -8.972 2.201 1.00 0.50 C ATOM 982 C PRO A 402 -16.242 -8.792 0.725 1.00 0.44 C ATOM 983 O PRO A 402 -17.164 -8.566 -0.062 1.00 0.46 O ATOM 984 CB PRO A 402 -16.796 -10.415 2.516 1.00 0.53 C ATOM 985 CG PRO A 402 -18.260 -10.471 2.705 1.00 0.60 C ATOM 986 CD PRO A 402 -18.621 -9.170 3.313 1.00 0.63 C ATOM 0 HA PRO A 402 -15.571 -8.602 2.669 1.00 0.50 H new ATOM 0 HB2 PRO A 402 -16.480 -11.071 1.705 1.00 0.53 H new ATOM 0 HB3 PRO A 402 -16.272 -10.743 3.414 1.00 0.53 H new ATOM 0 HG2 PRO A 402 -18.775 -10.619 1.756 1.00 0.60 H new ATOM 0 HG3 PRO A 402 -18.542 -11.301 3.353 1.00 0.60 H new ATOM 0 HD2 PRO A 402 -19.651 -8.890 3.092 1.00 0.63 H new ATOM 0 HD3 PRO A 402 -18.522 -9.187 4.398 1.00 0.63 H new ATOM 994 N TYR A 403 -14.983 -8.880 0.365 1.00 0.37 N ATOM 995 CA TYR A 403 -14.574 -8.512 -0.978 1.00 0.33 C ATOM 996 C TYR A 403 -13.334 -9.233 -1.427 1.00 0.27 C ATOM 997 O TYR A 403 -12.680 -9.935 -0.658 1.00 0.27 O ATOM 998 CB TYR A 403 -14.283 -7.017 -1.073 1.00 0.35 C ATOM 999 CG TYR A 403 -13.080 -6.603 -0.245 1.00 0.35 C ATOM 1000 CD1 TYR A 403 -13.155 -6.515 1.146 1.00 0.40 C ATOM 1001 CD2 TYR A 403 -11.873 -6.288 -0.854 1.00 0.32 C ATOM 1002 CE1 TYR A 403 -12.065 -6.127 1.898 1.00 0.42 C ATOM 1003 CE2 TYR A 403 -10.782 -5.898 -0.100 1.00 0.33 C ATOM 1004 CZ TYR A 403 -10.867 -5.868 1.272 1.00 0.37 C ATOM 1005 OH TYR A 403 -9.798 -5.418 2.009 1.00 0.41 O ATOM 0 H TYR A 403 -14.228 -9.199 0.973 1.00 0.37 H new ATOM 0 HA TYR A 403 -15.409 -8.792 -1.620 1.00 0.33 H new ATOM 0 HB2 TYR A 403 -14.111 -6.750 -2.116 1.00 0.35 H new ATOM 0 HB3 TYR A 403 -15.158 -6.458 -0.741 1.00 0.35 H new ATOM 0 HD1 TYR A 403 -14.083 -6.755 1.643 1.00 0.40 H new ATOM 0 HD2 TYR A 403 -11.785 -6.348 -1.929 1.00 0.32 H new ATOM 0 HE1 TYR A 403 -12.151 -6.027 2.970 1.00 0.42 H new ATOM 0 HE2 TYR A 403 -9.861 -5.616 -0.589 1.00 0.33 H new ATOM 0 HH TYR A 403 -9.858 -5.770 2.921 1.00 0.41 H new ATOM 1015 N GLU A 404 -13.000 -8.981 -2.674 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.747 -9.405 -3.250 1.00 0.21 C ATOM 1017 C GLU A 404 -11.252 -8.362 -4.221 1.00 0.20 C ATOM 1018 O GLU A 404 -12.042 -7.662 -4.851 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.897 -10.716 -3.995 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.113 -11.905 -3.091 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.452 -12.571 -3.316 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.565 -13.385 -4.256 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.400 -12.282 -2.565 1.00 0.53 O ATOM 0 H GLU A 404 -13.599 -8.470 -3.322 1.00 0.25 H new ATOM 0 HA GLU A 404 -11.038 -9.538 -2.433 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.737 -10.638 -4.685 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.005 -10.886 -4.597 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.318 -12.632 -3.256 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.041 -11.584 -2.052 1.00 0.24 H new ATOM 1030 N SER A 405 -9.947 -8.240 -4.316 1.00 0.16 N ATOM 1031 CA SER A 405 -9.353 -7.400 -5.317 1.00 0.15 C ATOM 1032 C SER A 405 -8.085 -8.048 -5.782 1.00 0.13 C ATOM 1033 O SER A 405 -7.039 -7.914 -5.156 1.00 0.11 O ATOM 1034 CB SER A 405 -9.013 -6.028 -4.756 1.00 0.15 C ATOM 1035 OG SER A 405 -9.829 -5.703 -3.637 1.00 0.19 O ATOM 0 H SER A 405 -9.280 -8.715 -3.708 1.00 0.16 H new ATOM 0 HA SER A 405 -10.063 -7.275 -6.135 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.964 -6.005 -4.461 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.143 -5.274 -5.533 1.00 0.15 H new ATOM 0 HG SER A 405 -9.561 -6.248 -2.868 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.159 -8.759 -6.890 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.020 -9.446 -7.424 1.00 0.14 C ATOM 1043 C PRO A 406 -6.028 -8.455 -7.957 1.00 0.13 C ATOM 1044 O PRO A 406 -6.236 -7.797 -8.979 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.605 -10.359 -8.500 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.064 -10.336 -8.235 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.340 -8.977 -7.696 1.00 0.18 C ATOM 0 HA PRO A 406 -6.466 -10.028 -6.687 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.375 -9.994 -9.501 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.202 -11.369 -8.429 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.633 -10.521 -9.146 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.347 -11.108 -7.520 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.444 -8.233 -8.486 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.255 -8.945 -7.105 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.950 -8.387 -7.234 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.971 -7.369 -7.370 1.00 0.09 C ATOM 1057 C VAL A 407 -2.733 -7.996 -7.990 1.00 0.11 C ATOM 1058 O VAL A 407 -2.535 -9.202 -7.910 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.729 -6.812 -5.951 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.462 -7.269 -5.316 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.916 -5.323 -5.852 1.00 0.08 C ATOM 0 H VAL A 407 -4.727 -9.068 -6.508 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.272 -6.547 -8.019 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.524 -7.261 -5.355 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.374 -6.829 -4.322 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.468 -8.356 -5.233 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.615 -6.957 -5.927 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.730 -5.000 -4.828 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.217 -4.823 -6.522 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.937 -5.065 -6.134 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.928 -7.201 -8.637 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.785 -7.717 -9.366 1.00 0.12 C ATOM 1073 C ASN A 408 0.384 -7.831 -8.433 1.00 0.10 C ATOM 1074 O ASN A 408 1.311 -8.593 -8.682 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.464 -6.780 -10.518 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.567 -6.772 -11.545 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.496 -7.453 -12.571 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.609 -6.018 -11.258 1.00 0.38 N ATOM 0 H ASN A 408 -2.036 -6.188 -8.679 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.008 -8.705 -9.770 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.313 -5.770 -10.136 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.471 -7.086 -10.988 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.403 -5.980 -11.897 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.622 -5.472 -10.396 1.00 0.38 H new ATOM 1085 N TYR A 409 0.306 -7.079 -7.345 1.00 0.08 N ATOM 1086 CA TYR A 409 1.416 -6.909 -6.421 1.00 0.06 C ATOM 1087 C TYR A 409 0.871 -6.462 -5.081 1.00 0.06 C ATOM 1088 O TYR A 409 0.152 -5.466 -4.992 1.00 0.06 O ATOM 1089 CB TYR A 409 2.455 -5.900 -6.938 1.00 0.06 C ATOM 1090 CG TYR A 409 3.099 -6.313 -8.242 1.00 0.08 C ATOM 1091 CD1 TYR A 409 4.237 -7.101 -8.260 1.00 0.11 C ATOM 1092 CD2 TYR A 409 2.540 -5.943 -9.457 1.00 0.13 C ATOM 1093 CE1 TYR A 409 4.800 -7.512 -9.453 1.00 0.17 C ATOM 1094 CE2 TYR A 409 3.093 -6.348 -10.651 1.00 0.18 C ATOM 1095 CZ TYR A 409 4.224 -7.137 -10.643 1.00 0.17 C ATOM 1096 OH TYR A 409 4.785 -7.547 -11.829 1.00 0.27 O ATOM 0 H TYR A 409 -0.535 -6.567 -7.077 1.00 0.08 H new ATOM 0 HA TYR A 409 1.929 -7.866 -6.322 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.974 -4.931 -7.070 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.231 -5.771 -6.184 1.00 0.06 H new ATOM 0 HD1 TYR A 409 4.692 -7.399 -7.327 1.00 0.11 H new ATOM 0 HD2 TYR A 409 1.654 -5.325 -9.466 1.00 0.13 H new ATOM 0 HE1 TYR A 409 5.689 -8.125 -9.450 1.00 0.17 H new ATOM 0 HE2 TYR A 409 2.644 -6.050 -11.587 1.00 0.18 H new ATOM 0 HH TYR A 409 4.258 -7.199 -12.578 1.00 0.27 H new ATOM 1106 N TRP A 410 1.242 -7.178 -4.047 1.00 0.06 N ATOM 1107 CA TRP A 410 0.601 -7.057 -2.753 1.00 0.06 C ATOM 1108 C TRP A 410 1.595 -7.245 -1.641 1.00 0.06 C ATOM 1109 O TRP A 410 2.473 -8.092 -1.700 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.483 -8.114 -2.688 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.141 -8.304 -1.379 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.298 -9.478 -0.768 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.742 -7.318 -0.549 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.004 -9.313 0.401 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.285 -7.970 0.562 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.868 -5.955 -0.656 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.967 -7.265 1.574 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.525 -5.251 0.320 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.079 -5.901 1.433 1.00 0.07 C ATOM 0 H TRP A 410 1.997 -7.863 -4.076 1.00 0.06 H new ATOM 0 HA TRP A 410 0.174 -6.061 -2.632 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.249 -7.863 -3.422 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.050 -9.066 -2.993 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.925 -10.422 -1.137 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.275 -10.058 1.042 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.450 -5.438 -1.507 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.386 -7.776 2.428 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.618 -4.179 0.231 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.598 -5.326 2.186 1.00 0.07 H new ATOM 1130 N MET A 411 1.486 -6.411 -0.651 1.00 0.08 N ATOM 1131 CA MET A 411 2.269 -6.568 0.535 1.00 0.09 C ATOM 1132 C MET A 411 1.311 -6.744 1.699 1.00 0.12 C ATOM 1133 O MET A 411 0.815 -5.751 2.238 1.00 0.14 O ATOM 1134 CB MET A 411 3.156 -5.347 0.752 1.00 0.10 C ATOM 1135 CG MET A 411 3.856 -4.821 -0.497 1.00 0.09 C ATOM 1136 SD MET A 411 5.010 -5.995 -1.221 1.00 0.06 S ATOM 1137 CE MET A 411 5.902 -4.948 -2.370 1.00 0.06 C ATOM 0 H MET A 411 0.856 -5.609 -0.643 1.00 0.08 H new ATOM 0 HA MET A 411 2.922 -7.437 0.448 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.548 -4.546 1.172 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.913 -5.596 1.496 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.104 -4.557 -1.241 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.391 -3.905 -0.245 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.532 -5.119 -3.381 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.753 -3.902 -2.101 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.965 -5.185 -2.328 1.00 0.06 H new ATOM 1147 N PRO A 412 0.984 -8.000 2.070 1.00 0.13 N ATOM 1148 CA PRO A 412 0.040 -8.275 3.148 1.00 0.19 C ATOM 1149 C PRO A 412 0.577 -7.864 4.506 1.00 0.25 C ATOM 1150 O PRO A 412 0.964 -8.705 5.314 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.173 -9.789 3.086 1.00 0.24 C ATOM 1152 CG PRO A 412 1.051 -10.311 2.420 1.00 0.23 C ATOM 1153 CD PRO A 412 1.491 -9.240 1.459 1.00 0.16 C ATOM 0 HA PRO A 412 -0.882 -7.708 3.024 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.294 -10.214 4.082 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.070 -10.041 2.521 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.832 -10.524 3.150 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.842 -11.243 1.896 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.575 -9.219 1.350 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.074 -9.397 0.464 1.00 0.16 H new ATOM 1161 N ILE A 413 0.603 -6.576 4.755 1.00 0.17 N ATOM 1162 CA ILE A 413 1.056 -6.065 6.026 1.00 0.22 C ATOM 1163 C ILE A 413 -0.017 -6.361 7.079 1.00 0.37 C ATOM 1164 O ILE A 413 -1.091 -6.862 6.736 1.00 0.88 O ATOM 1165 CB ILE A 413 1.395 -4.562 5.905 1.00 0.18 C ATOM 1166 CG1 ILE A 413 0.142 -3.706 5.903 1.00 0.18 C ATOM 1167 CG2 ILE A 413 2.161 -4.327 4.611 1.00 0.15 C ATOM 1168 CD1 ILE A 413 0.432 -2.278 5.504 1.00 0.16 C ATOM 0 H ILE A 413 0.314 -5.859 4.089 1.00 0.17 H new ATOM 0 HA ILE A 413 1.976 -6.557 6.341 1.00 0.22 H new ATOM 0 HB ILE A 413 1.999 -4.279 6.767 1.00 0.18 H new ATOM 0 HG12 ILE A 413 -0.588 -4.133 5.215 1.00 0.18 H new ATOM 0 HG13 ILE A 413 -0.309 -3.721 6.895 1.00 0.18 H new ATOM 0 HG21 ILE A 413 2.404 -3.268 4.519 1.00 0.15 H new ATOM 0 HG22 ILE A 413 3.082 -4.911 4.622 1.00 0.15 H new ATOM 0 HG23 ILE A 413 1.547 -4.634 3.764 1.00 0.15 H new ATOM 0 HD11 ILE A 413 -0.493 -1.702 5.516 1.00 0.16 H new ATOM 0 HD12 ILE A 413 1.141 -1.841 6.207 1.00 0.16 H new ATOM 0 HD13 ILE A 413 0.858 -2.260 4.501 1.00 0.16 H new ATOM 1180 N ASP A 414 0.246 -6.078 8.344 1.00 0.65 N ATOM 1181 CA ASP A 414 -0.594 -6.645 9.404 1.00 0.84 C ATOM 1182 C ASP A 414 -0.795 -5.670 10.568 1.00 0.90 C ATOM 1183 O ASP A 414 -0.326 -4.531 10.520 1.00 1.48 O ATOM 1184 CB ASP A 414 0.017 -7.976 9.883 1.00 1.53 C ATOM 1185 CG ASP A 414 -0.924 -8.800 10.743 1.00 2.06 C ATOM 1186 OD1 ASP A 414 -1.915 -9.335 10.205 1.00 2.49 O1- ATOM 1187 OD2 ASP A 414 -0.690 -8.901 11.965 1.00 2.33 O ATOM 0 H ASP A 414 1.008 -5.479 8.663 1.00 0.65 H new ATOM 0 HA ASP A 414 -1.585 -6.834 8.992 1.00 0.84 H new ATOM 0 HB2 ASP A 414 0.312 -8.565 9.014 1.00 1.53 H new ATOM 0 HB3 ASP A 414 0.925 -7.767 10.449 1.00 1.53 H new ATOM 1192 N TRP A 415 -1.541 -6.155 11.585 1.00 0.81 N ATOM 1193 CA TRP A 415 -1.777 -5.512 12.900 1.00 1.12 C ATOM 1194 C TRP A 415 -2.376 -4.109 12.821 1.00 0.88 C ATOM 1195 O TRP A 415 -2.678 -3.500 13.848 1.00 1.14 O ATOM 1196 CB TRP A 415 -0.524 -5.544 13.810 1.00 1.66 C ATOM 1197 CG TRP A 415 0.724 -4.931 13.261 1.00 1.44 C ATOM 1198 CD1 TRP A 415 1.070 -3.610 13.256 1.00 1.66 C ATOM 1199 CD2 TRP A 415 1.816 -5.635 12.674 1.00 1.39 C ATOM 1200 NE1 TRP A 415 2.305 -3.453 12.676 1.00 1.92 N ATOM 1201 CE2 TRP A 415 2.781 -4.684 12.311 1.00 1.61 C ATOM 1202 CE3 TRP A 415 2.063 -6.982 12.412 1.00 1.49 C ATOM 1203 CZ2 TRP A 415 3.975 -5.044 11.701 1.00 1.72 C ATOM 1204 CZ3 TRP A 415 3.241 -7.338 11.806 1.00 1.40 C ATOM 1205 CH2 TRP A 415 4.183 -6.377 11.458 1.00 1.42 C ATOM 0 H TRP A 415 -2.020 -7.052 11.508 1.00 0.81 H new ATOM 0 HA TRP A 415 -2.544 -6.130 13.367 1.00 1.12 H new ATOM 0 HB2 TRP A 415 -0.769 -5.037 14.743 1.00 1.66 H new ATOM 0 HB3 TRP A 415 -0.311 -6.584 14.058 1.00 1.66 H new ATOM 0 HD1 TRP A 415 0.463 -2.808 13.650 1.00 1.66 H new ATOM 0 HE1 TRP A 415 2.788 -2.565 12.540 1.00 1.92 H new ATOM 0 HE3 TRP A 415 1.337 -7.735 12.682 1.00 1.49 H new ATOM 0 HZ2 TRP A 415 4.711 -4.303 11.428 1.00 1.72 H new ATOM 0 HZ3 TRP A 415 3.439 -8.379 11.596 1.00 1.40 H new ATOM 0 HH2 TRP A 415 5.102 -6.688 10.984 1.00 1.42 H new ATOM 1216 N THR A 416 -2.552 -3.608 11.611 1.00 0.62 N ATOM 1217 CA THR A 416 -3.095 -2.279 11.390 1.00 0.61 C ATOM 1218 C THR A 416 -4.256 -2.320 10.404 1.00 0.52 C ATOM 1219 O THR A 416 -5.017 -1.359 10.275 1.00 0.71 O ATOM 1220 CB THR A 416 -2.001 -1.342 10.851 1.00 0.76 C ATOM 1221 OG1 THR A 416 -1.387 -1.936 9.697 1.00 0.82 O ATOM 1222 CG2 THR A 416 -0.942 -1.082 11.912 1.00 0.95 C ATOM 0 H THR A 416 -2.323 -4.111 10.754 1.00 0.62 H new ATOM 0 HA THR A 416 -3.460 -1.903 12.346 1.00 0.61 H new ATOM 0 HB THR A 416 -2.461 -0.392 10.579 1.00 0.76 H new ATOM 0 HG1 THR A 416 -0.921 -2.757 9.960 1.00 0.82 H new ATOM 0 HG21 THR A 416 -0.178 -0.417 11.509 1.00 0.95 H new ATOM 0 HG22 THR A 416 -1.405 -0.617 12.782 1.00 0.95 H new ATOM 0 HG23 THR A 416 -0.483 -2.026 12.206 1.00 0.95 H new ATOM 1230 N GLY A 417 -4.364 -3.427 9.686 1.00 0.42 N ATOM 1231 CA GLY A 417 -5.444 -3.599 8.740 1.00 0.48 C ATOM 1232 C GLY A 417 -5.006 -3.237 7.347 1.00 0.49 C ATOM 1233 O GLY A 417 -5.419 -3.861 6.374 1.00 0.68 O ATOM 0 H GLY A 417 -3.718 -4.214 9.743 1.00 0.42 H new ATOM 0 HA2 GLY A 417 -5.787 -4.633 8.759 1.00 0.48 H new ATOM 0 HA3 GLY A 417 -6.290 -2.977 9.032 1.00 0.48 H new ATOM 1237 N VAL A 418 -4.126 -2.249 7.282 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.598 -1.706 6.036 1.00 0.26 C ATOM 1239 C VAL A 418 -2.932 -2.786 5.175 1.00 0.24 C ATOM 1240 O VAL A 418 -2.778 -3.937 5.592 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.560 -0.604 6.365 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.058 0.136 5.119 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.143 0.379 7.355 1.00 0.75 C ATOM 0 H VAL A 418 -3.750 -1.791 8.112 1.00 0.32 H new ATOM 0 HA VAL A 418 -4.433 -1.295 5.468 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.696 -1.104 6.804 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.334 0.895 5.414 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.584 -0.574 4.441 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.899 0.613 4.616 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.406 1.150 7.580 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -4.033 0.842 6.927 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.412 -0.145 8.272 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.559 -2.397 3.970 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.747 -3.215 3.117 1.00 0.18 C ATOM 1255 C GLY A 419 -1.457 -2.482 1.847 1.00 0.14 C ATOM 1256 O GLY A 419 -2.364 -2.062 1.147 1.00 0.15 O ATOM 0 H GLY A 419 -2.817 -1.498 3.562 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.815 -3.471 3.622 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.260 -4.152 2.899 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.200 -2.305 1.557 1.00 0.10 N ATOM 1261 CA ILE A 420 0.185 -1.597 0.368 1.00 0.08 C ATOM 1262 C ILE A 420 0.129 -2.533 -0.830 1.00 0.08 C ATOM 1263 O ILE A 420 0.465 -3.715 -0.717 1.00 0.09 O ATOM 1264 CB ILE A 420 1.615 -1.044 0.490 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.662 0.249 1.311 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.206 -0.819 -0.884 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.759 0.040 2.804 1.00 0.29 C ATOM 0 H ILE A 420 0.576 -2.641 2.127 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.508 -0.766 0.235 1.00 0.08 H new ATOM 0 HB ILE A 420 2.211 -1.787 1.020 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.516 0.841 0.984 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.768 0.834 1.096 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.218 -0.427 -0.785 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.234 -1.764 -1.427 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.592 -0.104 -1.431 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.787 1.007 3.306 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.892 -0.523 3.150 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.668 -0.515 3.035 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.302 -2.003 -1.968 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.510 -2.830 -3.146 1.00 0.06 C ATOM 1281 C HIS A 421 -0.518 -2.004 -4.414 1.00 0.07 C ATOM 1282 O HIS A 421 -0.711 -0.794 -4.373 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.845 -3.530 -3.021 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.023 -2.624 -2.962 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.565 -1.970 -4.041 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.764 -2.276 -1.894 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.598 -1.254 -3.600 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.767 -1.405 -2.300 1.00 0.08 N ATOM 0 H HIS A 421 -0.512 -1.013 -2.098 1.00 0.07 H new ATOM 0 HA HIS A 421 0.309 -3.547 -3.206 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.966 -4.205 -3.868 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.833 -4.146 -2.122 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.236 -2.023 -5.005 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.604 -2.619 -0.882 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.218 -0.630 -4.226 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.339 -2.673 -5.544 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.499 -2.035 -6.830 1.00 0.07 C ATOM 1298 C ASP A 422 -1.976 -2.103 -7.205 1.00 0.11 C ATOM 1299 O ASP A 422 -2.655 -3.057 -6.876 1.00 0.20 O ATOM 1300 CB ASP A 422 0.374 -2.724 -7.883 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.364 -3.788 -8.681 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.844 -4.764 -8.070 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.474 -3.649 -9.915 1.00 0.80 O ATOM 0 H ASP A 422 -0.082 -3.659 -5.590 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.179 -0.994 -6.782 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.764 -1.972 -8.569 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.232 -3.181 -7.390 1.00 0.09 H new ATOM 1308 N SER A 423 -2.488 -1.082 -7.844 1.00 0.09 N ATOM 1309 CA SER A 423 -3.924 -0.967 -8.034 1.00 0.11 C ATOM 1310 C SER A 423 -4.243 -0.597 -9.451 1.00 0.14 C ATOM 1311 O SER A 423 -4.202 0.565 -9.842 1.00 0.17 O ATOM 1312 CB SER A 423 -4.518 0.075 -7.074 1.00 0.14 C ATOM 1313 OG SER A 423 -5.876 0.326 -7.376 1.00 0.23 O ATOM 0 H SER A 423 -1.941 -0.319 -8.242 1.00 0.09 H new ATOM 0 HA SER A 423 -4.370 -1.937 -7.816 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.430 -0.279 -6.047 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.949 1.002 -7.141 1.00 0.14 H new ATOM 0 HG SER A 423 -6.393 -0.500 -7.270 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.596 -1.617 -10.208 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.875 -1.467 -11.613 1.00 0.21 C ATOM 1321 C ASP A 424 -6.286 -0.920 -11.797 1.00 0.24 C ATOM 1322 O ASP A 424 -6.677 -0.478 -12.877 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.700 -2.814 -12.305 1.00 0.24 C ATOM 1324 CG ASP A 424 -5.172 -2.821 -13.748 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -4.638 -2.026 -14.551 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -6.084 -3.604 -14.083 1.00 0.37 O ATOM 0 H ASP A 424 -4.696 -2.571 -9.862 1.00 0.16 H new ATOM 0 HA ASP A 424 -4.180 -0.759 -12.064 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.647 -3.095 -12.274 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -5.249 -3.573 -11.748 1.00 0.24 H new ATOM 1331 N TRP A 425 -7.045 -0.967 -10.698 1.00 0.24 N ATOM 1332 CA TRP A 425 -8.448 -0.583 -10.699 1.00 0.27 C ATOM 1333 C TRP A 425 -8.634 0.886 -10.342 1.00 0.30 C ATOM 1334 O TRP A 425 -9.637 1.492 -10.717 1.00 0.32 O ATOM 1335 CB TRP A 425 -9.247 -1.440 -9.712 1.00 0.25 C ATOM 1336 CG TRP A 425 -8.818 -1.236 -8.292 1.00 0.23 C ATOM 1337 CD1 TRP A 425 -9.092 -0.150 -7.517 1.00 0.25 C ATOM 1338 CD2 TRP A 425 -8.046 -2.126 -7.477 1.00 0.19 C ATOM 1339 NE1 TRP A 425 -8.504 -0.283 -6.291 1.00 0.23 N ATOM 1340 CE2 TRP A 425 -7.885 -1.496 -6.230 1.00 0.19 C ATOM 1341 CE3 TRP A 425 -7.471 -3.390 -7.673 1.00 0.16 C ATOM 1342 CZ2 TRP A 425 -7.184 -2.079 -5.194 1.00 0.17 C ATOM 1343 CZ3 TRP A 425 -6.773 -3.966 -6.634 1.00 0.14 C ATOM 1344 CH2 TRP A 425 -6.641 -3.308 -5.408 1.00 0.15 C ATOM 0 H TRP A 425 -6.699 -1.272 -9.788 1.00 0.24 H new ATOM 0 HA TRP A 425 -8.817 -0.745 -11.712 1.00 0.27 H new ATOM 0 HB2 TRP A 425 -10.307 -1.202 -9.805 1.00 0.25 H new ATOM 0 HB3 TRP A 425 -9.132 -2.492 -9.975 1.00 0.25 H new ATOM 0 HD1 TRP A 425 -9.689 0.695 -7.827 1.00 0.25 H new ATOM 0 HE1 TRP A 425 -8.525 0.411 -5.544 1.00 0.23 H new ATOM 0 HE3 TRP A 425 -7.573 -3.901 -8.619 1.00 0.16 H new ATOM 0 HZ2 TRP A 425 -7.070 -1.576 -4.245 1.00 0.17 H new ATOM 0 HZ3 TRP A 425 -6.322 -4.938 -6.769 1.00 0.14 H new ATOM 0 HH2 TRP A 425 -6.094 -3.788 -4.610 1.00 0.15 H new ATOM 1355 N GLN A 426 -7.698 1.443 -9.578 1.00 0.31 N ATOM 1356 CA GLN A 426 -7.725 2.852 -9.251 1.00 0.33 C ATOM 1357 C GLN A 426 -6.918 3.597 -10.283 1.00 0.36 C ATOM 1358 O GLN A 426 -5.698 3.518 -10.350 1.00 0.39 O ATOM 1359 CB GLN A 426 -7.177 3.082 -7.843 1.00 0.31 C ATOM 1360 CG GLN A 426 -8.167 3.660 -6.827 1.00 0.60 C ATOM 1361 CD GLN A 426 -8.969 4.839 -7.350 1.00 0.72 C ATOM 1362 OE1 GLN A 426 -10.033 4.646 -7.934 1.00 1.74 O ATOM 1363 NE2 GLN A 426 -8.514 6.068 -7.099 1.00 0.53 N ATOM 0 H GLN A 426 -6.912 0.932 -9.176 1.00 0.31 H new ATOM 0 HA GLN A 426 -8.750 3.222 -9.263 1.00 0.33 H new ATOM 0 HB2 GLN A 426 -6.805 2.132 -7.459 1.00 0.31 H new ATOM 0 HB3 GLN A 426 -6.322 3.755 -7.912 1.00 0.31 H new ATOM 0 HG2 GLN A 426 -8.856 2.874 -6.518 1.00 0.60 H new ATOM 0 HG3 GLN A 426 -7.619 3.972 -5.938 1.00 0.60 H new ATOM 0 HE21 GLN A 426 -7.627 6.194 -6.612 1.00 0.53 H new ATOM 0 HE22 GLN A 426 -9.054 6.882 -7.394 1.00 0.53 H new ATOM 1372 N PRO A 427 -7.642 4.287 -11.131 1.00 0.43 N ATOM 1373 CA PRO A 427 -7.111 4.955 -12.302 1.00 0.50 C ATOM 1374 C PRO A 427 -6.526 6.313 -11.993 1.00 0.32 C ATOM 1375 O PRO A 427 -5.763 6.870 -12.783 1.00 0.29 O ATOM 1376 CB PRO A 427 -8.343 5.101 -13.166 1.00 0.73 C ATOM 1377 CG PRO A 427 -9.430 5.319 -12.179 1.00 0.72 C ATOM 1378 CD PRO A 427 -9.085 4.464 -11.002 1.00 0.53 C ATOM 0 HA PRO A 427 -6.290 4.402 -12.758 1.00 0.50 H new ATOM 0 HB2 PRO A 427 -8.253 5.940 -13.856 1.00 0.73 H new ATOM 0 HB3 PRO A 427 -8.520 4.210 -13.768 1.00 0.73 H new ATOM 0 HG2 PRO A 427 -9.496 6.369 -11.894 1.00 0.72 H new ATOM 0 HG3 PRO A 427 -10.398 5.040 -12.595 1.00 0.72 H new ATOM 0 HD2 PRO A 427 -9.349 4.948 -10.062 1.00 0.53 H new ATOM 0 HD3 PRO A 427 -9.612 3.510 -11.029 1.00 0.53 H new ATOM 1386 N GLU A 428 -6.871 6.836 -10.840 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.300 8.060 -10.384 1.00 0.22 C ATOM 1388 C GLU A 428 -5.376 7.838 -9.222 1.00 0.21 C ATOM 1389 O GLU A 428 -5.510 6.886 -8.451 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.387 8.982 -9.899 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.435 8.277 -9.121 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.578 7.796 -9.986 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.760 8.345 -11.083 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -10.292 6.857 -9.573 1.00 2.16 O1- ATOM 0 H GLU A 428 -7.551 6.421 -10.203 1.00 0.31 H new ATOM 0 HA GLU A 428 -5.752 8.486 -11.224 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -6.945 9.763 -9.280 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -7.847 9.476 -10.755 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.989 7.425 -8.608 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.823 8.945 -8.352 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.440 8.746 -9.127 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.580 8.884 -7.994 1.00 0.14 C ATOM 1403 C TYR A 429 -3.155 10.321 -7.996 1.00 0.17 C ATOM 1404 O TYR A 429 -2.791 10.872 -9.036 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.324 8.012 -7.987 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.506 6.625 -8.534 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.725 6.419 -9.882 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.451 5.521 -7.697 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.886 5.147 -10.384 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.612 4.251 -8.186 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.850 4.079 -9.555 1.00 0.25 C ATOM 1412 OH TYR A 429 -3.000 2.796 -10.011 1.00 0.33 O ATOM 0 H TYR A 429 -4.254 9.428 -9.862 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.139 8.559 -7.117 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.549 8.515 -8.565 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.959 7.936 -6.963 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.771 7.266 -10.551 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.278 5.665 -6.641 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.041 5.002 -11.443 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.556 3.397 -7.527 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.707 2.348 -9.501 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.241 10.928 -6.867 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.916 12.324 -6.772 1.00 0.17 C ATOM 1424 C GLY A 430 -3.344 12.867 -5.461 1.00 0.17 C ATOM 1425 O GLY A 430 -3.452 12.110 -4.495 1.00 0.16 O ATOM 0 H GLY A 430 -3.532 10.490 -5.993 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.842 12.463 -6.897 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.404 12.873 -7.577 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.519 14.177 -5.397 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.166 14.765 -4.250 1.00 0.21 C ATOM 1431 C GLY A 431 -5.417 14.030 -3.890 1.00 0.19 C ATOM 1432 O GLY A 431 -5.914 13.193 -4.648 1.00 0.18 O ATOM 0 H GLY A 431 -3.226 14.839 -6.116 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.482 14.758 -3.402 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.403 15.808 -4.460 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.984 14.434 -2.796 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.826 13.571 -2.016 1.00 0.21 C ATOM 1438 C ASP A 432 -7.938 12.911 -2.814 1.00 0.18 C ATOM 1439 O ASP A 432 -8.969 13.488 -3.140 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.392 14.396 -0.882 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.123 15.648 -1.341 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.443 16.623 -1.728 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.367 15.681 -1.283 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.878 15.374 -2.415 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.222 12.743 -1.646 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.078 13.778 -0.302 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.580 14.684 -0.214 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.655 11.654 -3.122 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.595 10.738 -3.724 1.00 0.13 C ATOM 1450 C LEU A 433 -9.216 9.876 -2.647 1.00 0.12 C ATOM 1451 O LEU A 433 -10.364 9.506 -2.710 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.864 9.869 -4.742 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.183 10.634 -5.862 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -6.232 9.725 -6.576 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -8.200 11.184 -6.833 1.00 1.08 C ATOM 0 H LEU A 433 -6.739 11.238 -2.953 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.385 11.293 -4.230 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -7.115 9.275 -4.219 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.577 9.170 -5.180 1.00 0.15 H new ATOM 0 HG LEU A 433 -6.636 11.473 -5.433 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -5.741 10.272 -7.381 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -5.481 9.360 -5.875 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -6.780 8.880 -6.993 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -7.688 11.728 -7.627 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -8.771 10.363 -7.266 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -8.876 11.859 -6.308 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.409 9.564 -1.645 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.777 8.625 -0.587 1.00 0.10 C ATOM 1469 C TRP A 434 -10.086 9.000 0.074 1.00 0.11 C ATOM 1470 O TRP A 434 -10.782 8.157 0.622 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.649 8.556 0.447 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.382 9.861 1.094 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.517 10.827 0.684 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.009 10.342 2.270 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.629 11.921 1.514 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.527 11.631 2.503 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.951 9.805 3.139 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.964 12.396 3.569 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.378 10.563 4.197 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.890 11.851 4.402 1.00 0.16 C ATOM 0 H TRP A 434 -7.473 9.956 -1.539 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.920 7.643 -1.038 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.907 7.823 1.211 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.739 8.203 -0.038 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.847 10.749 -0.160 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.125 12.802 1.408 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.339 8.809 2.983 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.583 13.393 3.734 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.105 10.155 4.883 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.254 12.428 5.239 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.401 10.283 0.031 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.603 10.785 0.640 1.00 0.14 C ATOM 1493 C LYS A 435 -12.769 10.800 -0.320 1.00 0.17 C ATOM 1494 O LYS A 435 -13.907 10.559 0.058 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.343 12.182 1.162 1.00 0.15 C ATOM 1496 CG LYS A 435 -10.007 12.696 0.722 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.685 14.024 1.315 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.333 14.221 2.657 1.00 0.18 C ATOM 1499 NZ LYS A 435 -10.040 15.554 3.239 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.830 10.995 -0.425 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.873 10.117 1.458 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.126 12.854 0.810 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.392 12.179 2.251 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.235 11.979 1.002 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.991 12.773 -0.365 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.604 14.121 1.418 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -10.013 14.812 0.637 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.412 14.101 2.557 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.988 13.446 3.341 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.509 15.640 4.163 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -9.013 15.661 3.361 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.392 16.296 2.601 1.00 0.22 H new ATOM 1513 N THR A 436 -12.467 11.100 -1.556 1.00 0.16 N ATOM 1514 CA THR A 436 -13.490 11.258 -2.571 1.00 0.19 C ATOM 1515 C THR A 436 -13.799 9.923 -3.222 1.00 0.19 C ATOM 1516 O THR A 436 -14.954 9.576 -3.475 1.00 0.22 O ATOM 1517 CB THR A 436 -13.007 12.275 -3.619 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.190 11.647 -4.613 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.177 13.322 -2.920 1.00 0.21 C ATOM 0 H THR A 436 -11.514 11.242 -1.892 1.00 0.16 H new ATOM 0 HA THR A 436 -14.407 11.626 -2.110 1.00 0.19 H new ATOM 0 HB THR A 436 -13.879 12.713 -4.106 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.685 11.592 -5.457 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.825 14.053 -3.648 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.784 13.824 -2.166 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.321 12.847 -2.440 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.742 9.178 -3.464 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.825 7.875 -4.088 1.00 0.20 C ATOM 1529 C ARG A 437 -12.912 6.802 -3.021 1.00 0.20 C ATOM 1530 O ARG A 437 -13.361 5.689 -3.295 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.570 7.697 -4.936 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.082 8.990 -5.449 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.531 8.863 -6.820 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.593 8.825 -7.816 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.917 9.844 -8.613 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -11.272 11.001 -8.515 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.895 9.704 -9.500 1.00 1.47 N ATOM 0 H ARG A 437 -11.791 9.463 -3.231 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.714 7.793 -4.714 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.790 7.222 -4.340 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.784 7.030 -5.771 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.898 9.713 -5.450 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.313 9.379 -4.782 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.866 9.702 -7.026 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.931 7.956 -6.890 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.125 7.960 -7.910 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.526 11.112 -7.828 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -11.523 11.778 -9.126 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.397 8.819 -9.571 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -13.145 10.482 -10.111 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.475 7.159 -1.813 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.746 6.367 -0.637 1.00 0.18 C ATOM 1553 C GLY A 438 -12.397 4.905 -0.785 1.00 0.21 C ATOM 1554 O GLY A 438 -13.191 4.044 -0.409 1.00 0.24 O ATOM 0 H GLY A 438 -11.928 8.001 -1.634 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.187 6.780 0.203 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.804 6.454 -0.389 1.00 0.18 H new ATOM 1558 N SER A 439 -11.234 4.588 -1.323 1.00 0.22 N ATOM 1559 CA SER A 439 -10.978 3.205 -1.655 1.00 0.27 C ATOM 1560 C SER A 439 -10.460 2.432 -0.450 1.00 0.27 C ATOM 1561 O SER A 439 -9.325 2.619 -0.014 1.00 0.27 O ATOM 1562 CB SER A 439 -9.991 3.108 -2.813 1.00 0.31 C ATOM 1563 OG SER A 439 -10.448 3.861 -3.928 1.00 1.01 O ATOM 0 H SER A 439 -10.480 5.242 -1.532 1.00 0.22 H new ATOM 0 HA SER A 439 -11.923 2.755 -1.960 1.00 0.27 H new ATOM 0 HB2 SER A 439 -9.014 3.474 -2.496 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.862 2.065 -3.101 1.00 0.31 H new ATOM 0 HG SER A 439 -9.800 3.788 -4.660 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.315 1.538 0.045 1.00 0.29 N ATOM 1570 CA HIS A 440 -10.994 0.623 1.141 1.00 0.32 C ATOM 1571 C HIS A 440 -10.290 1.305 2.328 1.00 0.28 C ATOM 1572 O HIS A 440 -10.602 2.451 2.662 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.191 -0.570 0.620 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.008 -1.550 -0.161 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.271 -1.936 0.219 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -10.740 -2.223 -1.305 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.745 -2.800 -0.650 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -11.839 -2.995 -1.592 1.00 0.48 N ATOM 0 H HIS A 440 -12.265 1.427 -0.309 1.00 0.29 H new ATOM 0 HA HIS A 440 -11.944 0.264 1.537 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.380 -0.204 -0.009 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -9.732 -1.084 1.464 1.00 0.36 H new ATOM 0 HD1 HIS A 440 -12.764 -1.603 1.048 1.00 0.45 H new ATOM 0 HD2 HIS A 440 -9.831 -2.164 -1.884 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.715 -3.273 -0.602 1.00 0.50 H new ATOM 1587 N GLY A 441 -9.370 0.601 2.982 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.694 1.164 4.133 1.00 0.22 C ATOM 1589 C GLY A 441 -7.227 1.470 3.886 1.00 0.17 C ATOM 1590 O GLY A 441 -6.645 2.322 4.566 1.00 0.26 O ATOM 0 H GLY A 441 -9.083 -0.346 2.735 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -9.203 2.081 4.430 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.776 0.469 4.968 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.617 0.796 2.913 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.184 0.882 2.740 1.00 0.15 C ATOM 1596 C CYS A 442 -4.760 1.808 1.608 1.00 0.13 C ATOM 1597 O CYS A 442 -5.529 2.647 1.153 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.562 -0.497 2.535 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.068 -1.318 1.009 1.00 0.35 S ATOM 0 H CYS A 442 -7.094 0.193 2.243 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.811 1.316 3.668 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.477 -0.398 2.538 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.826 -1.132 3.381 1.00 0.24 H new ATOM 1604 N ILE A 443 -3.500 1.692 1.216 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.920 2.552 0.196 1.00 0.07 C ATOM 1606 C ILE A 443 -3.100 1.940 -1.187 1.00 0.08 C ATOM 1607 O ILE A 443 -2.860 0.753 -1.389 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.413 2.809 0.459 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.181 3.736 1.664 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.741 3.408 -0.776 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.583 3.164 3.009 1.00 0.11 C ATOM 0 H ILE A 443 -2.853 1.001 1.595 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.445 3.507 0.239 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.968 1.840 0.686 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.124 3.999 1.701 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.734 4.661 1.501 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.315 3.580 -0.568 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.838 2.718 -1.614 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.220 4.354 -1.028 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.379 3.895 3.791 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.647 2.929 3.001 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.012 2.256 3.204 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.540 2.755 -2.129 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.729 2.296 -3.498 1.00 0.08 C ATOM 1625 C ASN A 444 -2.604 2.804 -4.384 1.00 0.07 C ATOM 1626 O ASN A 444 -2.663 3.907 -4.924 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.087 2.734 -4.044 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.227 1.802 -3.652 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.191 1.641 -4.403 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.126 1.163 -2.494 1.00 0.15 N ATOM 0 H ASN A 444 -3.773 3.736 -1.974 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.707 1.206 -3.498 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.308 3.738 -3.683 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.032 2.791 -5.131 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.859 0.516 -2.203 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.315 1.318 -1.895 1.00 0.15 H new ATOM 1637 N THR A 445 -1.566 2.002 -4.483 1.00 0.08 N ATOM 1638 CA THR A 445 -0.400 2.306 -5.265 1.00 0.08 C ATOM 1639 C THR A 445 -0.554 1.899 -6.723 1.00 0.08 C ATOM 1640 O THR A 445 -1.173 0.904 -7.036 1.00 0.10 O ATOM 1641 CB THR A 445 0.778 1.572 -4.642 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.703 1.645 -3.210 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.056 2.174 -5.093 1.00 0.06 C ATOM 0 H THR A 445 -1.514 1.101 -4.009 1.00 0.08 H new ATOM 0 HA THR A 445 -0.244 3.385 -5.260 1.00 0.08 H new ATOM 0 HB THR A 445 0.739 0.529 -4.957 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.584 1.877 -2.848 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.890 1.639 -4.639 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.128 2.105 -6.178 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.091 3.221 -4.793 1.00 0.06 H new ATOM 1651 N PRO A 446 -0.016 2.725 -7.627 1.00 0.08 N ATOM 1652 CA PRO A 446 0.021 2.449 -9.068 1.00 0.10 C ATOM 1653 C PRO A 446 0.547 1.076 -9.406 1.00 0.14 C ATOM 1654 O PRO A 446 1.450 0.553 -8.750 1.00 0.24 O ATOM 1655 CB PRO A 446 0.954 3.531 -9.600 1.00 0.10 C ATOM 1656 CG PRO A 446 0.800 4.656 -8.651 1.00 0.08 C ATOM 1657 CD PRO A 446 0.561 4.037 -7.312 1.00 0.07 C ATOM 0 HA PRO A 446 -0.978 2.462 -9.504 1.00 0.10 H new ATOM 0 HB2 PRO A 446 1.986 3.182 -9.637 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.681 3.827 -10.613 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.693 5.280 -8.638 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.033 5.297 -8.938 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.487 3.940 -6.746 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.120 4.639 -6.710 1.00 0.07 H new ATOM 1665 N PRO A 447 -0.004 0.489 -10.467 1.00 0.12 N ATOM 1666 CA PRO A 447 0.330 -0.861 -10.881 1.00 0.12 C ATOM 1667 C PRO A 447 1.772 -0.970 -11.369 1.00 0.14 C ATOM 1668 O PRO A 447 2.378 -2.045 -11.361 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.640 -1.127 -12.023 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.705 -0.123 -11.856 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.998 1.083 -11.368 1.00 0.13 C ATOM 0 HA PRO A 447 0.249 -1.575 -10.062 1.00 0.12 H new ATOM 0 HB2 PRO A 447 -0.149 -1.025 -12.991 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -1.040 -2.140 -11.974 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.220 0.071 -12.797 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.459 -0.458 -11.143 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.534 1.644 -12.179 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.666 1.769 -10.848 1.00 0.13 H new ATOM 1679 N SER A 448 2.323 0.163 -11.748 1.00 0.12 N ATOM 1680 CA SER A 448 3.640 0.222 -12.342 1.00 0.11 C ATOM 1681 C SER A 448 4.746 0.233 -11.295 1.00 0.09 C ATOM 1682 O SER A 448 5.891 -0.093 -11.564 1.00 0.09 O ATOM 1683 CB SER A 448 3.723 1.484 -13.169 1.00 0.14 C ATOM 1684 OG SER A 448 3.351 2.615 -12.399 1.00 1.10 O ATOM 0 H SER A 448 1.869 1.071 -11.652 1.00 0.12 H new ATOM 0 HA SER A 448 3.784 -0.668 -12.954 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.738 1.612 -13.545 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.070 1.399 -14.038 1.00 0.14 H new ATOM 0 HG SER A 448 3.413 3.422 -12.952 1.00 1.10 H new ATOM 1690 N VAL A 449 4.401 0.674 -10.111 1.00 0.07 N ATOM 1691 CA VAL A 449 5.392 0.912 -9.080 1.00 0.06 C ATOM 1692 C VAL A 449 5.480 -0.207 -8.083 1.00 0.05 C ATOM 1693 O VAL A 449 6.555 -0.691 -7.788 1.00 0.05 O ATOM 1694 CB VAL A 449 5.097 2.232 -8.392 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.144 3.332 -9.416 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.758 2.168 -7.721 1.00 0.06 C ATOM 0 H VAL A 449 3.441 0.877 -9.833 1.00 0.07 H new ATOM 0 HA VAL A 449 6.368 0.959 -9.564 1.00 0.06 H new ATOM 0 HB VAL A 449 5.844 2.434 -7.624 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.933 4.287 -8.934 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.135 3.365 -9.869 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.398 3.143 -10.188 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.552 3.118 -7.229 1.00 0.06 H new ATOM 0 HG22 VAL A 449 2.987 1.970 -8.466 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.760 1.369 -6.980 1.00 0.06 H new ATOM 1706 N MET A 450 4.371 -0.652 -7.581 1.00 0.05 N ATOM 1707 CA MET A 450 4.402 -1.705 -6.596 1.00 0.05 C ATOM 1708 C MET A 450 4.911 -2.997 -7.215 1.00 0.05 C ATOM 1709 O MET A 450 5.088 -3.999 -6.525 1.00 0.06 O ATOM 1710 CB MET A 450 3.046 -1.864 -5.929 1.00 0.07 C ATOM 1711 CG MET A 450 2.984 -1.346 -4.499 1.00 0.06 C ATOM 1712 SD MET A 450 3.279 -2.628 -3.261 1.00 0.06 S ATOM 1713 CE MET A 450 2.997 -4.109 -4.205 1.00 0.05 C ATOM 0 H MET A 450 3.441 -0.313 -7.828 1.00 0.05 H new ATOM 0 HA MET A 450 5.103 -1.433 -5.807 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.298 -1.341 -6.525 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.775 -2.920 -5.932 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.722 -0.554 -4.375 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.005 -0.900 -4.324 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.898 -4.958 -3.529 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.082 -4.000 -4.788 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.838 -4.277 -4.878 1.00 0.05 H new ATOM 1723 N LYS A 451 5.195 -2.967 -8.499 1.00 0.05 N ATOM 1724 CA LYS A 451 5.809 -4.106 -9.134 1.00 0.05 C ATOM 1725 C LYS A 451 7.300 -4.058 -8.861 1.00 0.05 C ATOM 1726 O LYS A 451 7.959 -5.063 -8.579 1.00 0.06 O ATOM 1727 CB LYS A 451 5.558 -4.071 -10.623 1.00 0.06 C ATOM 1728 CG LYS A 451 6.279 -2.965 -11.256 1.00 0.06 C ATOM 1729 CD LYS A 451 6.043 -2.909 -12.719 1.00 0.08 C ATOM 1730 CE LYS A 451 7.063 -2.013 -13.338 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.384 -2.673 -13.486 1.00 0.92 N1+ ATOM 0 H LYS A 451 5.012 -2.175 -9.115 1.00 0.05 H new ATOM 0 HA LYS A 451 5.383 -5.027 -8.736 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.871 -5.015 -11.069 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.490 -3.967 -10.812 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.968 -2.024 -10.803 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.347 -3.073 -11.065 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.107 -3.908 -13.150 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.039 -2.537 -12.925 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.711 -1.689 -14.317 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.174 -1.118 -12.727 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.099 -2.142 -12.950 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.329 -3.645 -13.121 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.650 -2.695 -14.491 1.00 0.92 H new ATOM 1745 N GLU A 452 7.782 -2.814 -8.899 1.00 0.05 N ATOM 1746 CA GLU A 452 9.149 -2.467 -8.731 1.00 0.05 C ATOM 1747 C GLU A 452 9.519 -2.888 -7.367 1.00 0.05 C ATOM 1748 O GLU A 452 10.567 -3.448 -7.099 1.00 0.06 O ATOM 1749 CB GLU A 452 9.227 -0.969 -8.784 1.00 0.05 C ATOM 1750 CG GLU A 452 8.766 -0.383 -10.076 1.00 0.07 C ATOM 1751 CD GLU A 452 9.880 -0.074 -11.052 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.421 1.050 -11.008 1.00 0.25 O1- ATOM 1753 OE2 GLU A 452 10.215 -0.951 -11.873 1.00 0.24 O ATOM 0 H GLU A 452 7.184 -2.003 -9.056 1.00 0.05 H new ATOM 0 HA GLU A 452 9.792 -2.924 -9.483 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.626 -0.555 -7.974 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.258 -0.662 -8.605 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.068 -1.075 -10.547 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.215 0.534 -9.869 1.00 0.07 H new ATOM 1760 N LEU A 453 8.602 -2.506 -6.522 1.00 0.04 N ATOM 1761 CA LEU A 453 8.542 -2.859 -5.162 1.00 0.04 C ATOM 1762 C LEU A 453 8.740 -4.310 -4.932 1.00 0.05 C ATOM 1763 O LEU A 453 9.721 -4.695 -4.328 1.00 0.05 O ATOM 1764 CB LEU A 453 7.171 -2.483 -4.679 1.00 0.04 C ATOM 1765 CG LEU A 453 7.160 -1.913 -3.325 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.329 -1.040 -3.169 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.945 -1.115 -3.083 1.00 0.05 C ATOM 0 H LEU A 453 7.832 -1.899 -6.802 1.00 0.04 H new ATOM 0 HA LEU A 453 9.341 -2.342 -4.631 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.736 -1.762 -5.371 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.533 -3.367 -4.697 1.00 0.04 H new ATOM 0 HG LEU A 453 7.182 -2.735 -2.610 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.331 -0.611 -2.167 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.239 -1.621 -3.317 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.286 -0.239 -3.907 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.972 -0.709 -2.072 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.898 -0.296 -3.801 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.065 -1.748 -3.197 1.00 0.05 H new ATOM 1779 N PHE A 454 7.810 -5.105 -5.385 1.00 0.05 N ATOM 1780 CA PHE A 454 7.947 -6.562 -5.281 1.00 0.06 C ATOM 1781 C PHE A 454 9.356 -6.975 -5.730 1.00 0.07 C ATOM 1782 O PHE A 454 9.898 -8.001 -5.312 1.00 0.09 O ATOM 1783 CB PHE A 454 6.867 -7.277 -6.118 1.00 0.07 C ATOM 1784 CG PHE A 454 7.003 -8.789 -6.179 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.931 -9.421 -7.017 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.192 -9.588 -5.384 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.023 -10.800 -7.046 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.289 -10.962 -5.420 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.304 -11.556 -6.331 1.00 0.12 C ATOM 0 H PHE A 454 6.949 -4.788 -5.830 1.00 0.05 H new ATOM 0 HA PHE A 454 7.805 -6.861 -4.242 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.888 -7.031 -5.707 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.895 -6.883 -7.134 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.579 -8.827 -7.645 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.472 -9.124 -4.726 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.743 -11.253 -7.711 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.652 -11.585 -4.809 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.426 -12.628 -6.382 1.00 0.12 H new ATOM 1799 N GLY A 455 9.963 -6.101 -6.527 1.00 0.06 N ATOM 1800 CA GLY A 455 11.259 -6.377 -7.088 1.00 0.08 C ATOM 1801 C GLY A 455 12.380 -5.917 -6.180 1.00 0.08 C ATOM 1802 O GLY A 455 13.494 -6.433 -6.257 1.00 0.13 O ATOM 0 H GLY A 455 9.569 -5.198 -6.792 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.355 -7.448 -7.269 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.349 -5.881 -8.055 1.00 0.08 H new ATOM 1806 N MET A 456 12.102 -4.924 -5.333 1.00 0.06 N ATOM 1807 CA MET A 456 13.084 -4.460 -4.379 1.00 0.05 C ATOM 1808 C MET A 456 12.836 -4.937 -2.977 1.00 0.05 C ATOM 1809 O MET A 456 13.767 -5.320 -2.273 1.00 0.06 O ATOM 1810 CB MET A 456 13.189 -2.961 -4.366 1.00 0.05 C ATOM 1811 CG MET A 456 11.897 -2.270 -4.518 1.00 0.04 C ATOM 1812 SD MET A 456 11.943 -1.066 -5.834 1.00 0.05 S ATOM 1813 CE MET A 456 10.480 -0.208 -5.374 1.00 0.04 C ATOM 0 H MET A 456 11.208 -4.435 -5.296 1.00 0.06 H new ATOM 0 HA MET A 456 14.023 -4.895 -4.721 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.650 -2.647 -3.429 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.855 -2.646 -5.170 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.115 -3.001 -4.721 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.636 -1.776 -3.582 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.683 -0.444 -6.079 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.180 -0.512 -4.371 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.669 0.865 -5.386 1.00 0.04 H new ATOM 1823 N VAL A 457 11.605 -4.883 -2.547 1.00 0.05 N ATOM 1824 CA VAL A 457 11.295 -5.306 -1.208 1.00 0.05 C ATOM 1825 C VAL A 457 11.342 -6.794 -1.085 1.00 0.07 C ATOM 1826 O VAL A 457 11.109 -7.544 -2.036 1.00 0.08 O ATOM 1827 CB VAL A 457 9.967 -4.750 -0.668 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.208 -3.978 -1.720 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.115 -5.849 -0.061 1.00 0.05 C ATOM 0 H VAL A 457 10.810 -4.555 -3.095 1.00 0.05 H new ATOM 0 HA VAL A 457 12.074 -4.876 -0.579 1.00 0.05 H new ATOM 0 HB VAL A 457 10.213 -4.046 0.127 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.277 -3.603 -1.295 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.813 -3.139 -2.063 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.985 -4.633 -2.562 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.183 -5.423 0.312 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.893 -6.599 -0.820 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.656 -6.316 0.763 1.00 0.05 H new ATOM 1839 N GLU A 458 11.689 -7.194 0.100 1.00 0.08 N ATOM 1840 CA GLU A 458 11.837 -8.562 0.420 1.00 0.10 C ATOM 1841 C GLU A 458 10.906 -8.894 1.556 1.00 0.09 C ATOM 1842 O GLU A 458 10.480 -8.009 2.292 1.00 0.10 O ATOM 1843 CB GLU A 458 13.281 -8.805 0.833 1.00 0.13 C ATOM 1844 CG GLU A 458 14.102 -7.539 0.836 1.00 0.20 C ATOM 1845 CD GLU A 458 15.409 -7.662 1.589 1.00 0.27 C ATOM 1846 OE1 GLU A 458 15.384 -7.658 2.835 1.00 0.46 O ATOM 1847 OE2 GLU A 458 16.473 -7.734 0.938 1.00 0.48 O1- ATOM 0 H GLU A 458 11.878 -6.561 0.877 1.00 0.08 H new ATOM 0 HA GLU A 458 11.595 -9.192 -0.436 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.301 -9.250 1.828 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.734 -9.526 0.153 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.312 -7.251 -0.194 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.513 -6.736 1.278 1.00 0.20 H new ATOM 1854 N LYS A 459 10.551 -10.158 1.669 1.00 0.11 N ATOM 1855 CA LYS A 459 9.816 -10.614 2.820 1.00 0.13 C ATOM 1856 C LYS A 459 10.620 -10.324 4.052 1.00 0.15 C ATOM 1857 O LYS A 459 11.597 -11.008 4.362 1.00 0.18 O ATOM 1858 CB LYS A 459 9.484 -12.087 2.746 1.00 0.16 C ATOM 1859 CG LYS A 459 8.638 -12.405 1.547 1.00 0.22 C ATOM 1860 CD LYS A 459 9.422 -13.158 0.504 1.00 0.70 C ATOM 1861 CE LYS A 459 9.611 -14.611 0.909 1.00 0.40 C ATOM 1862 NZ LYS A 459 10.430 -15.373 -0.073 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.760 -10.880 0.980 1.00 0.11 H new ATOM 0 HA LYS A 459 8.866 -10.081 2.851 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.406 -12.666 2.705 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.959 -12.388 3.652 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.777 -12.998 1.855 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.252 -11.481 1.117 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.903 -13.108 -0.453 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.395 -12.686 0.364 1.00 0.70 H new ATOM 0 HE2 LYS A 459 10.090 -14.653 1.887 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.636 -15.087 1.011 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 10.530 -16.357 0.248 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.962 -15.357 -1.002 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 11.371 -14.937 -0.152 1.00 0.99 H new ATOM 1876 N GLY A 460 10.198 -9.289 4.729 1.00 0.15 N ATOM 1877 CA GLY A 460 10.904 -8.823 5.898 1.00 0.19 C ATOM 1878 C GLY A 460 11.170 -7.339 5.832 1.00 0.15 C ATOM 1879 O GLY A 460 11.633 -6.737 6.798 1.00 0.17 O ATOM 0 H GLY A 460 9.366 -8.749 4.492 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.320 -9.049 6.790 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.849 -9.359 5.991 1.00 0.19 H new ATOM 1883 N THR A 461 10.898 -6.758 4.675 1.00 0.12 N ATOM 1884 CA THR A 461 10.921 -5.330 4.498 1.00 0.07 C ATOM 1885 C THR A 461 9.755 -4.717 5.264 1.00 0.08 C ATOM 1886 O THR A 461 8.738 -5.368 5.480 1.00 0.13 O ATOM 1887 CB THR A 461 10.829 -5.003 2.985 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.045 -5.366 2.314 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.525 -3.543 2.743 1.00 0.05 C ATOM 0 H THR A 461 10.654 -7.275 3.830 1.00 0.12 H new ATOM 0 HA THR A 461 11.850 -4.911 4.885 1.00 0.07 H new ATOM 0 HB THR A 461 10.005 -5.590 2.578 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.270 -4.681 1.650 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.469 -3.356 1.671 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.572 -3.288 3.206 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.315 -2.930 3.177 1.00 0.05 H new ATOM 1897 N PRO A 462 9.889 -3.490 5.748 1.00 0.09 N ATOM 1898 CA PRO A 462 8.829 -2.815 6.415 1.00 0.14 C ATOM 1899 C PRO A 462 8.066 -1.961 5.434 1.00 0.13 C ATOM 1900 O PRO A 462 8.543 -1.680 4.334 1.00 0.18 O ATOM 1901 CB PRO A 462 9.574 -1.956 7.445 1.00 0.18 C ATOM 1902 CG PRO A 462 11.026 -2.097 7.102 1.00 0.13 C ATOM 1903 CD PRO A 462 11.059 -2.631 5.722 1.00 0.09 C ATOM 0 HA PRO A 462 8.093 -3.477 6.870 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.257 -0.915 7.392 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.375 -2.298 8.460 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.538 -1.137 7.163 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.529 -2.771 7.795 1.00 0.13 H new ATOM 0 HD2 PRO A 462 10.981 -1.845 4.971 1.00 0.09 H new ATOM 0 HD3 PRO A 462 11.975 -3.183 5.512 1.00 0.09 H new ATOM 1911 N VAL A 463 6.894 -1.560 5.803 1.00 0.09 N ATOM 1912 CA VAL A 463 6.186 -0.597 5.012 1.00 0.09 C ATOM 1913 C VAL A 463 5.795 0.527 5.916 1.00 0.08 C ATOM 1914 O VAL A 463 5.625 0.348 7.112 1.00 0.10 O ATOM 1915 CB VAL A 463 4.925 -1.140 4.326 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.179 -2.506 3.722 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.786 -1.162 5.315 1.00 0.54 C ATOM 0 H VAL A 463 6.406 -1.879 6.640 1.00 0.09 H new ATOM 0 HA VAL A 463 6.854 -0.287 4.208 1.00 0.09 H new ATOM 0 HB VAL A 463 4.651 -0.481 3.502 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.269 -2.867 3.243 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.975 -2.434 2.981 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.476 -3.202 4.507 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.890 -1.547 4.829 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.047 -1.804 6.156 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.597 -0.151 5.675 1.00 0.54 H new ATOM 1927 N LEU A 464 5.724 1.679 5.381 1.00 0.07 N ATOM 1928 CA LEU A 464 5.311 2.803 6.133 1.00 0.07 C ATOM 1929 C LEU A 464 4.339 3.571 5.329 1.00 0.07 C ATOM 1930 O LEU A 464 4.337 3.486 4.113 1.00 0.09 O ATOM 1931 CB LEU A 464 6.513 3.635 6.448 1.00 0.10 C ATOM 1932 CG LEU A 464 7.441 3.062 7.448 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.565 2.441 6.705 1.00 0.09 C ATOM 1934 CD2 LEU A 464 7.922 4.156 8.351 1.00 0.13 C ATOM 0 H LEU A 464 5.950 1.876 4.406 1.00 0.07 H new ATOM 0 HA LEU A 464 4.839 2.499 7.067 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.065 3.809 5.524 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.176 4.608 6.806 1.00 0.10 H new ATOM 0 HG LEU A 464 6.954 2.308 8.067 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.272 2.006 7.412 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.180 1.660 6.050 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.069 3.200 6.107 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.607 3.742 9.091 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.439 4.913 7.762 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.071 4.610 8.858 1.00 0.13 H new ATOM 1946 N VAL A 465 3.454 4.221 6.012 1.00 0.06 N ATOM 1947 CA VAL A 465 2.626 5.232 5.422 1.00 0.05 C ATOM 1948 C VAL A 465 2.514 6.324 6.457 1.00 0.08 C ATOM 1949 O VAL A 465 2.556 6.009 7.628 1.00 0.10 O ATOM 1950 CB VAL A 465 1.242 4.669 4.983 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.342 3.188 4.699 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.179 4.951 5.990 1.00 0.08 C ATOM 0 H VAL A 465 3.281 4.067 7.005 1.00 0.06 H new ATOM 0 HA VAL A 465 3.061 5.619 4.501 1.00 0.05 H new ATOM 0 HB VAL A 465 0.953 5.181 4.065 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.367 2.809 4.393 1.00 0.09 H new ATOM 0 HG12 VAL A 465 2.064 3.019 3.900 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.668 2.666 5.599 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.769 4.541 5.643 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.447 4.491 6.941 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.081 6.028 6.123 1.00 0.08 H new ATOM 1962 N PHE A 466 2.496 7.583 6.036 1.00 0.10 N ATOM 1963 CA PHE A 466 2.382 8.731 6.942 1.00 0.15 C ATOM 1964 C PHE A 466 2.451 10.029 6.159 1.00 0.21 C ATOM 1965 O PHE A 466 3.564 10.497 5.853 1.00 1.09 O ATOM 1966 CB PHE A 466 3.431 8.703 8.078 1.00 0.17 C ATOM 1967 CG PHE A 466 4.866 8.638 7.647 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.342 7.485 7.108 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.727 9.719 7.784 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.656 7.383 6.702 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.050 9.620 7.374 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.504 8.436 6.829 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.371 10.557 5.833 1.00 1.06 O ATOM 0 H PHE A 466 2.560 7.843 5.052 1.00 0.10 H new ATOM 0 HA PHE A 466 1.408 8.665 7.427 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.297 9.594 8.692 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.224 7.843 8.715 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.682 6.637 6.996 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.365 10.642 8.212 1.00 0.36 H new ATOM 0 HE1 PHE A 466 7.014 6.456 6.279 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.718 10.462 7.481 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.530 8.347 6.505 1.00 0.30 H new TER 1983 PHE A 466 HETATM 1984 C 1RG A 130 -11.024 -5.340 8.465 1.00 2.42 C HETATM 1985 N 1RG A 130 -9.555 -6.438 6.830 1.00 2.70 N HETATM 1986 O 1RG A 130 -11.979 -5.666 7.758 1.00 2.05 O HETATM 1987 CA 1RG A 130 -9.669 -6.013 8.251 1.00 2.68 C HETATM 1988 CB 1RG A 130 -8.533 -5.013 8.462 1.00 2.20 C HETATM 1989 CD 1RG A 130 -8.300 -5.858 6.331 1.00 2.17 C HETATM 1990 CG 1RG A 130 -8.206 -4.544 7.073 1.00 1.53 C HETATM 1991 CAA 1RG A 130 -6.607 -2.000 1.466 1.00 0.28 C HETATM 1992 CAB 1RG A 130 -6.582 -3.492 1.955 1.00 0.19 C HETATM 1993 OAC 1RG A 130 -7.647 -1.366 1.419 1.00 0.43 O HETATM 1994 CAD 1RG A 130 -7.817 -3.742 2.904 1.00 0.25 C HETATM 1995 CAE 1RG A 130 -6.492 -4.484 0.810 1.00 0.15 C HETATM 1996 CAF 1RG A 130 -6.463 -5.916 1.323 1.00 0.11 C HETATM 1997 OAG 1RG A 130 -7.612 -4.316 -0.067 1.00 0.20 O HETATM 1998 CAH 1RG A 130 -7.579 -3.392 4.359 1.00 0.33 C HETATM 1999 CAI 1RG A 130 -8.888 -3.208 4.799 1.00 0.37 C HETATM 2000 NAJ 1RG A 130 -8.989 -2.905 2.587 1.00 0.34 N HETATM 2001 SAK 1RG A 130 -9.432 -3.422 6.455 1.00 0.71 S HETATM 2002 CAL 1RG A 130 -9.663 -2.878 3.746 1.00 0.33 C HETATM 2003 CAM 1RG A 130 -10.959 -2.534 3.883 1.00 0.53 C HETATM 2004 CAS 1RG A 130 -6.776 -2.108 4.541 1.00 0.41 C HETATM 2005 OAT 1RG A 130 -11.629 -2.243 2.872 1.00 0.66 O HETATM 2006 OAU 1RG A 130 -11.509 -2.502 4.999 1.00 0.67 O HETATM 2007 NAX 1RG A 130 -11.037 -4.414 9.468 1.00 2.87 N HETATM 2008 CAY 1RG A 130 -12.158 -3.697 9.723 1.00 2.84 C HETATM 2009 CAZ 1RG A 130 -12.128 -2.782 10.773 1.00 3.47 C HETATM 2010 CBA 1RG A 130 -13.254 -2.022 11.074 1.00 3.58 C HETATM 2011 CBB 1RG A 130 -14.414 -2.170 10.321 1.00 3.10 C HETATM 2012 CBC 1RG A 130 -14.450 -3.074 9.275 1.00 2.54 C HETATM 2013 CBD 1RG A 130 -13.334 -3.833 8.973 1.00 2.37 C HETATM 2014 CBE 1RG A 130 -13.222 -1.115 12.130 1.00 4.28 C HETATM 2015 OBF 1RG A 130 -14.231 -0.453 12.438 1.00 4.45 O HETATM 2016 OBG 1RG A 130 -12.183 -0.939 12.801 1.00 4.82 O HETATM 0 HOAG 1RG A 130 -8.430 -4.608 0.387 1.00 0.20 H new HETATM 0 HNAX 1RG A 130 -10.199 -4.261 10.028 1.00 2.87 H new HETATM 0 HNAJ 1RG A 130 -9.228 -2.456 1.703 1.00 0.34 H new HETATM 0 HASB 1RG A 130 -5.802 -2.217 4.064 1.00 0.41 H new HETATM 0 HASA 1RG A 130 -7.312 -1.276 4.085 1.00 0.41 H new HETATM 0 HAFB 1RG A 130 -5.597 -6.053 1.970 1.00 0.11 H new HETATM 0 HAFA 1RG A 130 -7.373 -6.119 1.887 1.00 0.11 H new HETATM 0 HN 1RG A 130 -10.214 -7.015 6.308 1.00 2.70 H new HETATM 0 HG 1RG A 130 -7.260 -4.010 6.990 1.00 1.53 H new HETATM 0 HDA 1RG A 130 -7.447 -6.502 6.543 1.00 2.17 H new HETATM 0 HD 1RG A 130 -8.326 -5.710 5.251 1.00 2.17 H new HETATM 0 HBD 1RG A 130 -13.369 -4.542 8.146 1.00 2.37 H new HETATM 0 HBC 1RG A 130 -15.361 -3.189 8.687 1.00 2.54 H new HETATM 0 HBB 1RG A 130 -15.295 -1.573 10.555 1.00 3.10 H new HETATM 0 HBA 1RG A 130 -8.842 -4.186 9.101 1.00 2.20 H new HETATM 0 HB 1RG A 130 -7.672 -5.481 8.939 1.00 2.20 H new HETATM 0 HAZ 1RG A 130 -11.218 -2.661 11.361 1.00 3.47 H new HETATM 0 HAS 1RG A 130 -6.639 -1.912 5.604 1.00 0.41 H new HETATM 0 HAH 1RG A 130 -7.000 -4.146 4.892 1.00 0.33 H new HETATM 0 HAF 1RG A 130 -6.398 -6.603 0.480 1.00 0.11 H new HETATM 0 HAE 1RG A 130 -5.565 -4.292 0.270 1.00 0.15 H new HETATM 0 HAD 1RG A 130 -7.979 -4.808 2.744 1.00 0.25 H new HETATM 0 HAB 1RG A 130 -5.670 -3.662 2.527 1.00 0.19 H new HETATM 0 HA 1RG A 130 -9.600 -6.847 8.949 1.00 2.68 H new