USER MOD reduce.3.24.130724 H: found=0, std=0, add=979, 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 1RG HAA : A 130 1RG CAA : A 442 CYS SG :(H bumps) USER MOD Set 1.1: A 411 MET CE :methyl -100:sc= -3.16! (180deg=-4.82!) USER MOD Set 1.2: A 450 MET CE :methyl -166:sc= -5.26! (180deg=-6.63!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -4.84 K(o=-8.2,f=-9.2) USER MOD Set 2.2: A 423 SER OG : rot 98:sc= -0.588! USER MOD Set 2.3: A 444 ASN : amide:sc= -2.73 X(o=-8.2,f=-7.7!) USER MOD Set 3.1: A 130 1RG OAG : rot 130:sc= 0 USER MOD Set 3.2: A 403 TYR OH : rot 100:sc= -0.181 USER MOD Set 4.1: A 397 ASN : amide:sc= 0.369 X(o=-1.4,f=-1.6) USER MOD Set 4.2: A 401 THR OG1 : rot 43:sc= -1.05! USER MOD Set 4.3: A 440 HIS : no HD1:sc= -0.695 X(o=-1.4,f=-0.98) USER MOD Set 5.1: A 370 SER OG : rot -50:sc= -3.06! USER MOD Set 5.2: A 377 THR OG1 : rot 64:sc= 1.31 USER MOD Set 6.1: A 356 TYR OH : rot -29:sc= -0.908 USER MOD Set 6.2: A 358 LYS NZ :NH3+ -176:sc= 1.27 (180deg=0.0631) USER MOD Single : A 130 1RG OAU : rot 14:sc= -1.91! USER MOD Single : A 130 1RG OBF : rot 180:sc= 0 USER MOD Single : A 339 HIS : no HE2:sc= -8.46! C(o=-8.5!,f=-11!) USER MOD Single : A 340 MET CE :methyl -160:sc= -3.38! (180deg=-4.15!) USER MOD Single : A 343 THR OG1 : rot -0:sc= 0.638 USER MOD Single : A 344 TYR OH : rot 177:sc= 0.282 USER MOD Single : A 351 ASN : amide:sc= -2.46! K(o=-2.5!,f=-1.5) USER MOD Single : A 352 GLN : amide:sc= -13.8! C(o=-14!,f=-13!) USER MOD Single : A 353 HIS : no HE2:sc= -6.21! C(o=-6.2!,f=-6.7!) USER MOD Single : A 354 MET CE :methyl -126:sc= -5.19! (180deg=-6.13!) USER MOD Single : A 357 TYR OH : rot 40:sc= 0.255 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.76! USER MOD Single : A 372 LYS NZ :NH3+ 151:sc= 0.0572 (180deg=0) USER MOD Single : A 374 THR OG1 : rot -151:sc= -2.69! USER MOD Single : A 375 THR OG1 : rot 155:sc= 1.22 USER MOD Single : A 383 TYR OH : rot -31:sc= -0.715! USER MOD Single : A 386 ASN : amide:sc= -0.96! C(o=-0.96!,f=-3.5!) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 405 SER OG : rot 180:sc=-0.00443 USER MOD Single : A 408 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc=-0.00799 USER MOD Single : A 416 THR OG1 : rot -62:sc= 0.814 USER MOD Single : A 426 GLN : amide:sc= -3.68! C(o=-3.7!,f=-2.5!) USER MOD Single : A 429 TYR OH : rot -146:sc= -1.45! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 445 THR OG1 : rot -135:sc= 0.622 USER MOD Single : A 448 SER OG : rot 180:sc= -0.297 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -108:sc= -21.1! (180deg=-29.5!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= 0.447 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 14.732 4.754 13.379 1.00 1.87 N ATOM 2 CA GLY A 338 15.075 4.399 11.984 1.00 1.09 C ATOM 3 C GLY A 338 14.453 3.085 11.579 1.00 1.10 C ATOM 4 O GLY A 338 13.622 2.540 12.305 1.00 1.67 O ATOM 0 HA2 GLY A 338 14.733 5.187 11.312 1.00 1.09 H new ATOM 0 HA3 GLY A 338 16.158 4.338 11.879 1.00 1.09 H new ATOM 10 N HIS A 339 14.829 2.580 10.416 1.00 0.72 N ATOM 11 CA HIS A 339 14.327 1.298 9.945 1.00 0.65 C ATOM 12 C HIS A 339 15.443 0.438 9.430 1.00 0.55 C ATOM 13 O HIS A 339 16.051 0.778 8.418 1.00 0.84 O ATOM 14 CB HIS A 339 13.326 1.444 8.811 1.00 0.81 C ATOM 15 CG HIS A 339 12.012 2.025 9.181 1.00 0.45 C ATOM 16 ND1 HIS A 339 11.847 3.274 9.735 1.00 0.51 N ATOM 17 CD2 HIS A 339 10.790 1.515 9.034 1.00 0.32 C ATOM 18 CE1 HIS A 339 10.564 3.501 9.919 1.00 0.38 C ATOM 19 NE2 HIS A 339 9.898 2.440 9.509 1.00 0.47 N ATOM 0 H HIS A 339 15.481 3.038 9.779 1.00 0.72 H new ATOM 0 HA HIS A 339 13.842 0.843 10.808 1.00 0.65 H new ATOM 0 HB2 HIS A 339 13.772 2.067 8.036 1.00 0.81 H new ATOM 0 HB3 HIS A 339 13.157 0.461 8.372 1.00 0.81 H new ATOM 0 HD1 HIS A 339 12.600 3.922 9.966 1.00 0.51 H new ATOM 0 HD2 HIS A 339 10.547 0.549 8.617 1.00 0.32 H new ATOM 0 HE1 HIS A 339 10.132 4.400 10.334 1.00 0.38 H new ATOM 28 N MET A 340 15.705 -0.660 10.137 1.00 0.43 N ATOM 29 CA MET A 340 16.549 -1.735 9.620 1.00 0.31 C ATOM 30 C MET A 340 17.839 -1.187 9.031 1.00 0.33 C ATOM 31 O MET A 340 18.384 -0.187 9.510 1.00 0.43 O ATOM 32 CB MET A 340 15.755 -2.468 8.537 1.00 0.26 C ATOM 33 CG MET A 340 15.136 -3.768 8.978 1.00 0.67 C ATOM 34 SD MET A 340 14.889 -4.912 7.602 1.00 0.61 S ATOM 35 CE MET A 340 14.188 -3.817 6.365 1.00 0.17 C ATOM 0 H MET A 340 15.342 -0.829 11.075 1.00 0.43 H new ATOM 0 HA MET A 340 16.820 -2.410 10.431 1.00 0.31 H new ATOM 0 HB2 MET A 340 14.965 -1.809 8.177 1.00 0.26 H new ATOM 0 HB3 MET A 340 16.415 -2.664 7.692 1.00 0.26 H new ATOM 0 HG2 MET A 340 15.775 -4.236 9.727 1.00 0.67 H new ATOM 0 HG3 MET A 340 14.178 -3.567 9.457 1.00 0.67 H new ATOM 0 HE1 MET A 340 13.662 -4.406 5.614 1.00 0.17 H new ATOM 0 HE2 MET A 340 13.489 -3.130 6.842 1.00 0.17 H new ATOM 0 HE3 MET A 340 14.986 -3.249 5.887 1.00 0.17 H new ATOM 45 N GLU A 341 18.353 -1.874 8.027 1.00 0.29 N ATOM 46 CA GLU A 341 19.159 -1.210 7.037 1.00 0.35 C ATOM 47 C GLU A 341 18.178 -0.314 6.298 1.00 0.30 C ATOM 48 O GLU A 341 16.988 -0.634 6.267 1.00 0.36 O ATOM 49 CB GLU A 341 19.821 -2.205 6.079 1.00 0.43 C ATOM 50 CG GLU A 341 18.903 -2.686 4.986 1.00 1.31 C ATOM 51 CD GLU A 341 19.542 -3.718 4.082 1.00 1.61 C ATOM 52 OE1 GLU A 341 19.644 -4.896 4.497 1.00 1.82 O ATOM 53 OE2 GLU A 341 19.938 -3.362 2.954 1.00 1.85 O1- ATOM 0 H GLU A 341 18.226 -2.876 7.882 1.00 0.29 H new ATOM 0 HA GLU A 341 19.982 -0.655 7.488 1.00 0.35 H new ATOM 0 HB2 GLU A 341 20.696 -1.736 5.628 1.00 0.43 H new ATOM 0 HB3 GLU A 341 20.177 -3.064 6.648 1.00 0.43 H new ATOM 0 HG2 GLU A 341 18.006 -3.112 5.435 1.00 1.31 H new ATOM 0 HG3 GLU A 341 18.585 -1.833 4.386 1.00 1.31 H new ATOM 60 N ASP A 342 18.616 0.777 5.712 1.00 0.24 N ATOM 61 CA ASP A 342 17.649 1.737 5.202 1.00 0.20 C ATOM 62 C ASP A 342 17.005 1.211 3.940 1.00 0.17 C ATOM 63 O ASP A 342 17.445 1.488 2.830 1.00 0.19 O ATOM 64 CB ASP A 342 18.305 3.090 4.938 1.00 0.22 C ATOM 65 CG ASP A 342 18.873 3.725 6.189 1.00 0.31 C ATOM 66 OD1 ASP A 342 18.116 4.400 6.917 1.00 0.39 O ATOM 67 OD2 ASP A 342 20.080 3.549 6.456 1.00 0.43 O1- ATOM 0 H ASP A 342 19.597 1.022 5.577 1.00 0.24 H new ATOM 0 HA ASP A 342 16.878 1.877 5.960 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.103 2.964 4.206 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.571 3.764 4.496 1.00 0.22 H new ATOM 72 N THR A 343 15.954 0.443 4.134 1.00 0.13 N ATOM 73 CA THR A 343 15.138 -0.038 3.053 1.00 0.10 C ATOM 74 C THR A 343 13.755 -0.394 3.550 1.00 0.08 C ATOM 75 O THR A 343 13.612 -1.063 4.577 1.00 0.10 O ATOM 76 CB THR A 343 15.718 -1.276 2.364 1.00 0.11 C ATOM 77 OG1 THR A 343 17.000 -0.991 1.792 1.00 0.14 O ATOM 78 CG2 THR A 343 14.758 -1.718 1.288 1.00 0.08 C ATOM 0 H THR A 343 15.644 0.136 5.056 1.00 0.13 H new ATOM 0 HA THR A 343 15.101 0.776 2.329 1.00 0.10 H new ATOM 0 HB THR A 343 15.852 -2.069 3.100 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.234 -0.055 1.963 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.155 -2.600 0.786 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.794 -1.959 1.737 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.629 -0.915 0.563 1.00 0.08 H new ATOM 86 N TYR A 344 12.746 0.038 2.808 1.00 0.07 N ATOM 87 CA TYR A 344 11.357 -0.195 3.185 1.00 0.06 C ATOM 88 C TYR A 344 10.419 0.529 2.256 1.00 0.06 C ATOM 89 O TYR A 344 10.812 1.458 1.580 1.00 0.06 O ATOM 90 CB TYR A 344 11.103 0.313 4.590 1.00 0.08 C ATOM 91 CG TYR A 344 11.510 1.746 4.798 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.806 2.048 5.176 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.612 2.791 4.628 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.203 3.344 5.378 1.00 0.13 C ATOM 95 CE2 TYR A 344 10.996 4.091 4.829 1.00 0.11 C ATOM 96 CZ TYR A 344 12.295 4.370 5.208 1.00 0.13 C ATOM 97 OH TYR A 344 12.689 5.675 5.401 1.00 0.15 O ATOM 0 H TYR A 344 12.863 0.555 1.936 1.00 0.07 H new ATOM 0 HA TYR A 344 11.179 -1.269 3.128 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.042 0.209 4.818 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.644 -0.315 5.297 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.518 1.248 5.314 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.596 2.576 4.333 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.220 3.561 5.668 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.287 4.894 4.692 1.00 0.11 H new ATOM 0 HH TYR A 344 11.943 6.276 5.194 1.00 0.15 H new ATOM 107 N ILE A 345 9.181 0.084 2.209 1.00 0.06 N ATOM 108 CA ILE A 345 8.151 0.870 1.585 1.00 0.06 C ATOM 109 C ILE A 345 7.739 1.966 2.510 1.00 0.07 C ATOM 110 O ILE A 345 7.797 1.815 3.724 1.00 0.08 O ATOM 111 CB ILE A 345 6.880 0.088 1.242 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.161 -1.398 1.221 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.387 0.523 -0.113 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.228 -1.740 0.267 1.00 0.05 C ATOM 0 H ILE A 345 8.871 -0.809 2.592 1.00 0.06 H new ATOM 0 HA ILE A 345 8.588 1.232 0.654 1.00 0.06 H new ATOM 0 HB ILE A 345 6.123 0.289 2.000 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.447 -1.728 2.220 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.251 -1.936 0.956 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.482 -0.029 -0.365 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.168 1.591 -0.095 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.154 0.323 -0.861 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.399 -2.816 0.283 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.931 -1.434 -0.736 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.146 -1.223 0.547 1.00 0.05 H new ATOM 126 N GLU A 346 7.297 3.045 1.936 1.00 0.09 N ATOM 127 CA GLU A 346 6.934 4.206 2.702 1.00 0.12 C ATOM 128 C GLU A 346 5.836 4.962 1.993 1.00 0.17 C ATOM 129 O GLU A 346 5.811 5.015 0.787 1.00 0.21 O ATOM 130 CB GLU A 346 8.159 5.093 2.844 1.00 0.15 C ATOM 131 CG GLU A 346 7.898 6.276 3.733 1.00 0.13 C ATOM 132 CD GLU A 346 9.063 7.240 3.879 1.00 1.24 C ATOM 133 OE1 GLU A 346 10.015 6.921 4.624 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 9.016 8.340 3.285 1.00 1.53 O ATOM 0 H GLU A 346 7.177 3.148 0.928 1.00 0.09 H new ATOM 0 HA GLU A 346 6.575 3.906 3.686 1.00 0.12 H new ATOM 0 HB2 GLU A 346 8.984 4.509 3.251 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.470 5.441 1.859 1.00 0.15 H new ATOM 0 HG2 GLU A 346 7.040 6.823 3.342 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.620 5.913 4.723 1.00 0.13 H new ATOM 141 N VAL A 347 4.886 5.487 2.735 1.00 0.17 N ATOM 142 CA VAL A 347 3.844 6.286 2.139 1.00 0.17 C ATOM 143 C VAL A 347 3.624 7.566 2.911 1.00 0.20 C ATOM 144 O VAL A 347 4.061 7.702 4.039 1.00 0.45 O ATOM 145 CB VAL A 347 2.502 5.551 2.059 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.626 6.224 1.028 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.684 4.077 1.739 1.00 0.15 C ATOM 0 H VAL A 347 4.815 5.375 3.746 1.00 0.17 H new ATOM 0 HA VAL A 347 4.190 6.502 1.128 1.00 0.17 H new ATOM 0 HB VAL A 347 2.019 5.603 3.035 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.670 5.704 0.968 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.457 7.262 1.316 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.118 6.192 0.056 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.709 3.592 1.691 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.189 3.973 0.778 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.285 3.607 2.517 1.00 0.15 H new ATOM 157 N ASP A 348 2.981 8.501 2.250 1.00 0.10 N ATOM 158 CA ASP A 348 2.542 9.745 2.830 1.00 0.09 C ATOM 159 C ASP A 348 1.168 10.052 2.266 1.00 0.08 C ATOM 160 O ASP A 348 1.018 10.380 1.105 1.00 0.10 O ATOM 161 CB ASP A 348 3.517 10.860 2.444 1.00 0.12 C ATOM 162 CG ASP A 348 3.268 12.137 3.205 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.091 12.478 3.430 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.253 12.821 3.563 1.00 0.24 O ATOM 0 H ASP A 348 2.743 8.412 1.262 1.00 0.10 H new ATOM 0 HA ASP A 348 2.504 9.673 3.917 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.538 10.525 2.628 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.434 11.056 1.375 1.00 0.12 H new ATOM 169 N LEU A 349 0.178 9.881 3.114 1.00 0.08 N ATOM 170 CA LEU A 349 -1.239 9.898 2.739 1.00 0.09 C ATOM 171 C LEU A 349 -1.731 11.301 2.656 1.00 0.12 C ATOM 172 O LEU A 349 -2.620 11.656 1.897 1.00 0.16 O ATOM 173 CB LEU A 349 -2.052 9.182 3.799 1.00 0.10 C ATOM 174 CG LEU A 349 -1.470 7.861 4.217 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.816 7.191 3.041 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.479 8.083 5.314 1.00 0.08 C ATOM 0 H LEU A 349 0.328 9.722 4.110 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.346 9.406 1.772 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.137 9.825 4.675 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.062 9.021 3.422 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.265 7.210 4.582 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.397 6.235 3.354 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.557 7.024 2.259 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.019 7.828 2.656 1.00 0.07 H new ATOM 0 HD21 LEU A 349 -0.055 7.127 5.620 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.318 8.736 4.958 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.976 8.548 6.165 1.00 0.08 H new ATOM 188 N GLU A 350 -1.147 12.053 3.550 1.00 0.13 N ATOM 189 CA GLU A 350 -1.350 13.477 3.679 1.00 0.15 C ATOM 190 C GLU A 350 -1.058 14.105 2.361 1.00 0.14 C ATOM 191 O GLU A 350 -1.728 15.018 1.891 1.00 0.17 O ATOM 192 CB GLU A 350 -0.349 13.985 4.675 1.00 0.18 C ATOM 193 CG GLU A 350 -0.184 13.068 5.819 1.00 0.19 C ATOM 194 CD GLU A 350 -0.254 13.750 7.163 1.00 0.28 C ATOM 195 OE1 GLU A 350 -1.305 14.344 7.482 1.00 0.60 O1- ATOM 196 OE2 GLU A 350 0.754 13.724 7.894 1.00 0.57 O ATOM 0 H GLU A 350 -0.491 11.679 4.236 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.368 13.706 3.994 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.613 14.124 4.182 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.665 14.963 5.038 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -0.956 12.300 5.771 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.776 12.560 5.730 1.00 0.19 H new ATOM 203 N ASN A 351 0.034 13.606 1.834 1.00 0.12 N ATOM 204 CA ASN A 351 0.615 14.097 0.593 1.00 0.11 C ATOM 205 C ASN A 351 0.316 13.170 -0.563 1.00 0.09 C ATOM 206 O ASN A 351 0.797 13.356 -1.682 1.00 0.10 O ATOM 207 CB ASN A 351 2.118 14.244 0.777 1.00 0.13 C ATOM 208 CG ASN A 351 2.429 15.333 1.759 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.725 16.469 1.385 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.334 15.002 3.026 1.00 0.18 N ATOM 0 H ASN A 351 0.556 12.837 2.255 1.00 0.12 H new ATOM 0 HA ASN A 351 0.172 15.064 0.356 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.540 13.302 1.126 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.586 14.468 -0.182 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.508 15.699 3.750 1.00 0.18 H new ATOM 0 HD22 ASN A 351 2.086 14.048 3.287 1.00 0.18 H new ATOM 217 N GLN A 352 -0.493 12.163 -0.226 1.00 0.08 N ATOM 218 CA GLN A 352 -0.871 11.056 -1.105 1.00 0.08 C ATOM 219 C GLN A 352 0.233 10.631 -2.044 1.00 0.07 C ATOM 220 O GLN A 352 0.080 10.636 -3.264 1.00 0.08 O ATOM 221 CB GLN A 352 -2.133 11.351 -1.879 1.00 0.12 C ATOM 222 CG GLN A 352 -3.342 11.469 -1.000 1.00 0.21 C ATOM 223 CD GLN A 352 -3.930 10.135 -0.624 1.00 1.28 C ATOM 224 OE1 GLN A 352 -4.826 9.639 -1.291 1.00 2.15 O ATOM 225 NE2 GLN A 352 -3.454 9.563 0.466 1.00 1.89 N ATOM 0 H GLN A 352 -0.917 12.094 0.699 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.063 10.216 -0.437 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.003 12.279 -2.436 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.298 10.560 -2.611 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -3.073 12.010 -0.093 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -4.100 12.062 -1.512 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -2.705 10.013 0.992 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -3.835 8.671 0.782 1.00 1.89 H new ATOM 234 N HIS A 353 1.315 10.191 -1.463 1.00 0.05 N ATOM 235 CA HIS A 353 2.447 9.737 -2.226 1.00 0.05 C ATOM 236 C HIS A 353 3.064 8.533 -1.552 1.00 0.06 C ATOM 237 O HIS A 353 3.219 8.498 -0.345 1.00 0.07 O ATOM 238 CB HIS A 353 3.458 10.865 -2.361 1.00 0.06 C ATOM 239 CG HIS A 353 4.519 10.573 -3.359 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.482 10.977 -4.676 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.629 9.850 -3.223 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.540 10.490 -5.304 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.257 9.807 -4.433 1.00 0.07 N ATOM 0 H HIS A 353 1.438 10.137 -0.452 1.00 0.05 H new ATOM 0 HA HIS A 353 2.125 9.443 -3.225 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.939 11.780 -2.647 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.919 11.051 -1.391 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.757 11.557 -5.098 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.972 9.380 -2.313 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.776 10.628 -6.349 1.00 0.09 H new ATOM 252 N MET A 354 3.368 7.532 -2.345 1.00 0.05 N ATOM 253 CA MET A 354 3.941 6.321 -1.842 1.00 0.06 C ATOM 254 C MET A 354 5.371 6.175 -2.344 1.00 0.05 C ATOM 255 O MET A 354 5.732 6.714 -3.386 1.00 0.06 O ATOM 256 CB MET A 354 3.126 5.118 -2.263 1.00 0.07 C ATOM 257 CG MET A 354 3.446 3.875 -1.465 1.00 0.07 C ATOM 258 SD MET A 354 3.739 2.431 -2.489 1.00 0.06 S ATOM 259 CE MET A 354 4.957 3.083 -3.622 1.00 0.05 C ATOM 0 H MET A 354 3.222 7.541 -3.355 1.00 0.05 H new ATOM 0 HA MET A 354 3.941 6.372 -0.753 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.066 5.349 -2.155 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.303 4.919 -3.320 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.328 4.062 -0.852 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.622 3.667 -0.783 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.623 2.923 -4.647 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.084 4.151 -3.444 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.908 2.574 -3.467 1.00 0.05 H new ATOM 269 N TRP A 355 6.153 5.427 -1.609 1.00 0.05 N ATOM 270 CA TRP A 355 7.564 5.249 -1.874 1.00 0.07 C ATOM 271 C TRP A 355 7.990 3.832 -1.624 1.00 0.07 C ATOM 272 O TRP A 355 7.388 3.126 -0.830 1.00 0.11 O ATOM 273 CB TRP A 355 8.420 6.096 -0.931 1.00 0.08 C ATOM 274 CG TRP A 355 8.332 7.546 -1.150 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.063 8.286 -1.992 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.474 8.425 -0.472 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.691 9.599 -1.913 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.704 9.709 -0.957 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.524 8.234 0.497 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.986 10.802 -0.470 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.836 9.282 0.966 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.059 10.562 0.492 1.00 0.09 C ATOM 0 H TRP A 355 5.823 4.913 -0.792 1.00 0.05 H new ATOM 0 HA TRP A 355 7.706 5.537 -2.916 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.126 5.880 0.096 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.461 5.790 -1.035 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.836 7.901 -2.641 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.077 10.365 -2.466 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.331 7.243 0.880 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.161 11.800 -0.844 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.090 9.125 1.731 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.486 11.384 0.894 1.00 0.09 H new ATOM 293 N TYR A 356 9.036 3.434 -2.291 1.00 0.04 N ATOM 294 CA TYR A 356 9.900 2.419 -1.768 1.00 0.04 C ATOM 295 C TYR A 356 11.164 3.095 -1.398 1.00 0.04 C ATOM 296 O TYR A 356 11.535 4.082 -1.990 1.00 0.05 O ATOM 297 CB TYR A 356 10.237 1.372 -2.761 1.00 0.03 C ATOM 298 CG TYR A 356 11.134 0.285 -2.192 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.611 -0.722 -1.423 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.482 0.240 -2.473 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.389 -1.745 -0.974 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.281 -0.781 -2.007 1.00 0.10 C ATOM 303 CZ TYR A 356 12.719 -1.779 -1.266 1.00 0.05 C ATOM 304 OH TYR A 356 13.482 -2.839 -0.851 1.00 0.26 O ATOM 0 H TYR A 356 9.310 3.800 -3.203 1.00 0.04 H new ATOM 0 HA TYR A 356 9.393 1.932 -0.935 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.317 0.920 -3.132 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.732 1.834 -3.615 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.562 -0.704 -1.168 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.922 1.023 -3.072 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.949 -2.534 -0.383 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.339 -0.791 -2.226 1.00 0.10 H new ATOM 0 HH TYR A 356 13.103 -3.213 -0.028 1.00 0.26 H new ATOM 314 N TYR A 357 11.830 2.530 -0.478 1.00 0.05 N ATOM 315 CA TYR A 357 13.066 3.083 0.000 1.00 0.06 C ATOM 316 C TYR A 357 14.147 2.055 -0.060 1.00 0.06 C ATOM 317 O TYR A 357 14.047 1.007 0.555 1.00 0.07 O ATOM 318 CB TYR A 357 12.953 3.608 1.423 1.00 0.07 C ATOM 319 CG TYR A 357 12.558 5.052 1.512 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.238 5.449 1.354 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.520 6.021 1.745 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.887 6.784 1.428 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.181 7.349 1.821 1.00 0.11 C ATOM 324 CZ TYR A 357 11.863 7.729 1.663 1.00 0.11 C ATOM 325 OH TYR A 357 11.518 9.056 1.743 1.00 0.14 O ATOM 0 H TYR A 357 11.548 1.664 -0.019 1.00 0.05 H new ATOM 0 HA TYR A 357 13.310 3.924 -0.649 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.221 3.008 1.963 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.910 3.472 1.926 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.476 4.706 1.171 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.552 5.727 1.869 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.857 7.084 1.303 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.942 8.093 2.004 1.00 0.11 H new ATOM 0 HH TYR A 357 10.673 9.145 2.232 1.00 0.14 H new ATOM 335 N LYS A 358 15.146 2.356 -0.830 1.00 0.07 N ATOM 336 CA LYS A 358 16.369 1.610 -0.818 1.00 0.09 C ATOM 337 C LYS A 358 17.462 2.592 -0.485 1.00 0.13 C ATOM 338 O LYS A 358 17.479 3.681 -1.004 1.00 0.25 O ATOM 339 CB LYS A 358 16.654 0.969 -2.159 1.00 0.11 C ATOM 340 CG LYS A 358 17.653 -0.137 -2.059 1.00 0.12 C ATOM 341 CD LYS A 358 17.015 -1.280 -1.383 1.00 0.09 C ATOM 342 CE LYS A 358 16.466 -2.212 -2.404 1.00 0.09 C ATOM 343 NZ LYS A 358 15.958 -3.472 -1.802 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.137 3.133 -1.491 1.00 0.07 H new ATOM 0 HA LYS A 358 16.304 0.801 -0.091 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.726 0.580 -2.578 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.023 1.727 -2.850 1.00 0.11 H new ATOM 0 HG2 LYS A 358 17.998 -0.428 -3.051 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.529 0.193 -1.501 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.741 -1.797 -0.755 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.218 -0.930 -0.727 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.659 -1.719 -2.946 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.242 -2.447 -3.133 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.648 -4.117 -2.557 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.715 -3.923 -1.250 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.154 -3.259 -1.177 1.00 0.10 H new ATOM 357 N ASP A 359 18.355 2.192 0.392 1.00 0.13 N ATOM 358 CA ASP A 359 19.535 2.986 0.745 1.00 0.16 C ATOM 359 C ASP A 359 19.201 4.220 1.554 1.00 0.16 C ATOM 360 O ASP A 359 20.038 5.103 1.721 1.00 0.28 O ATOM 361 CB ASP A 359 20.307 3.431 -0.481 1.00 0.19 C ATOM 362 CG ASP A 359 21.794 3.164 -0.369 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.527 4.047 0.120 1.00 0.39 O1- ATOM 364 OD2 ASP A 359 22.241 2.072 -0.780 1.00 0.43 O ATOM 0 H ASP A 359 18.293 1.304 0.889 1.00 0.13 H new ATOM 0 HA ASP A 359 20.144 2.317 1.352 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.915 2.916 -1.358 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.145 4.497 -0.639 1.00 0.19 H new ATOM 369 N GLY A 360 17.991 4.249 2.096 1.00 0.15 N ATOM 370 CA GLY A 360 17.514 5.438 2.788 1.00 0.15 C ATOM 371 C GLY A 360 17.026 6.489 1.859 1.00 0.14 C ATOM 372 O GLY A 360 16.628 7.582 2.261 1.00 0.18 O ATOM 0 H GLY A 360 17.329 3.473 2.071 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.709 5.159 3.468 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.320 5.845 3.399 1.00 0.15 H new ATOM 376 N LYS A 361 17.018 6.117 0.628 1.00 0.13 N ATOM 377 CA LYS A 361 16.561 6.945 -0.435 1.00 0.13 C ATOM 378 C LYS A 361 15.524 6.109 -1.129 1.00 0.09 C ATOM 379 O LYS A 361 15.278 4.990 -0.702 1.00 0.12 O ATOM 380 CB LYS A 361 17.752 7.240 -1.314 1.00 0.16 C ATOM 381 CG LYS A 361 18.215 6.037 -2.095 1.00 0.17 C ATOM 382 CD LYS A 361 19.184 6.395 -3.175 1.00 0.23 C ATOM 383 CE LYS A 361 18.522 7.307 -4.181 1.00 0.26 C ATOM 384 NZ LYS A 361 19.260 7.361 -5.470 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.339 5.199 0.322 1.00 0.13 H new ATOM 0 HA LYS A 361 16.135 7.902 -0.133 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.496 8.041 -2.008 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.573 7.604 -0.696 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.681 5.324 -1.415 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.351 5.540 -2.536 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.056 6.887 -2.744 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.540 5.491 -3.670 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.503 6.964 -4.363 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.450 8.312 -3.764 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.766 7.999 -6.126 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.224 7.714 -5.304 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.307 6.408 -5.884 1.00 0.37 H new ATOM 398 N VAL A 362 14.865 6.604 -2.133 1.00 0.09 N ATOM 399 CA VAL A 362 13.831 5.784 -2.700 1.00 0.07 C ATOM 400 C VAL A 362 14.140 5.145 -3.996 1.00 0.07 C ATOM 401 O VAL A 362 14.963 5.595 -4.796 1.00 0.10 O ATOM 402 CB VAL A 362 12.501 6.469 -2.822 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.117 7.014 -1.497 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.491 7.524 -3.858 1.00 0.09 C ATOM 0 H VAL A 362 15.009 7.519 -2.560 1.00 0.09 H new ATOM 0 HA VAL A 362 13.774 4.994 -1.951 1.00 0.07 H new ATOM 0 HB VAL A 362 11.768 5.731 -3.146 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.152 7.514 -1.575 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.047 6.200 -0.775 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.870 7.729 -1.166 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.503 7.983 -3.900 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.234 8.283 -3.612 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.728 7.085 -4.827 1.00 0.09 H new ATOM 414 N ALA A 363 13.382 4.094 -4.181 1.00 0.05 N ATOM 415 CA ALA A 363 13.461 3.273 -5.322 1.00 0.05 C ATOM 416 C ALA A 363 12.253 3.566 -6.131 1.00 0.05 C ATOM 417 O ALA A 363 12.214 3.431 -7.351 1.00 0.07 O ATOM 418 CB ALA A 363 13.462 1.822 -4.899 1.00 0.05 C ATOM 0 H ALA A 363 12.676 3.792 -3.509 1.00 0.05 H new ATOM 0 HA ALA A 363 14.371 3.461 -5.892 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.523 1.186 -5.782 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.320 1.632 -4.254 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.544 1.601 -4.355 1.00 0.05 H new ATOM 424 N LEU A 364 11.264 3.976 -5.379 1.00 0.04 N ATOM 425 CA LEU A 364 9.971 4.251 -5.883 1.00 0.04 C ATOM 426 C LEU A 364 9.453 5.534 -5.371 1.00 0.05 C ATOM 427 O LEU A 364 9.638 5.900 -4.214 1.00 0.06 O ATOM 428 CB LEU A 364 9.049 3.147 -5.468 1.00 0.04 C ATOM 429 CG LEU A 364 8.363 2.471 -6.602 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.382 2.135 -7.649 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.708 1.235 -6.106 1.00 0.05 C ATOM 0 H LEU A 364 11.353 4.127 -4.374 1.00 0.04 H new ATOM 0 HA LEU A 364 10.030 4.320 -6.969 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.617 2.405 -4.907 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.297 3.551 -4.791 1.00 0.04 H new ATOM 0 HG LEU A 364 7.605 3.124 -7.034 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.893 1.639 -8.487 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.860 3.050 -7.998 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.135 1.472 -7.224 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.203 0.734 -6.932 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.460 0.569 -5.683 1.00 0.05 H new ATOM 0 HD23 LEU A 364 6.979 1.493 -5.338 1.00 0.05 H new ATOM 443 N GLU A 365 8.774 6.177 -6.253 1.00 0.05 N ATOM 444 CA GLU A 365 8.122 7.383 -5.961 1.00 0.06 C ATOM 445 C GLU A 365 6.835 7.282 -6.677 1.00 0.05 C ATOM 446 O GLU A 365 6.816 7.187 -7.905 1.00 0.07 O ATOM 447 CB GLU A 365 8.949 8.513 -6.511 1.00 0.10 C ATOM 448 CG GLU A 365 9.161 9.659 -5.545 1.00 0.16 C ATOM 449 CD GLU A 365 10.276 10.586 -5.974 1.00 0.27 C ATOM 450 OE1 GLU A 365 11.448 10.299 -5.653 1.00 0.48 O ATOM 451 OE2 GLU A 365 9.993 11.608 -6.629 1.00 0.45 O1- ATOM 0 H GLU A 365 8.660 5.864 -7.217 1.00 0.05 H new ATOM 0 HA GLU A 365 7.978 7.562 -4.895 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.921 8.123 -6.812 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.467 8.896 -7.410 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.236 10.228 -5.454 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.387 9.259 -4.557 1.00 0.16 H new ATOM 458 N THR A 366 5.762 7.296 -5.965 1.00 0.05 N ATOM 459 CA THR A 366 4.539 7.188 -6.631 1.00 0.06 C ATOM 460 C THR A 366 3.453 7.908 -5.905 1.00 0.06 C ATOM 461 O THR A 366 3.569 8.250 -4.748 1.00 0.07 O ATOM 462 CB THR A 366 4.183 5.710 -6.834 1.00 0.06 C ATOM 463 OG1 THR A 366 3.603 5.505 -8.106 1.00 0.07 O ATOM 464 CG2 THR A 366 3.213 5.246 -5.784 1.00 0.07 C ATOM 0 H THR A 366 5.718 7.379 -4.949 1.00 0.05 H new ATOM 0 HA THR A 366 4.638 7.662 -7.607 1.00 0.06 H new ATOM 0 HB THR A 366 5.108 5.138 -6.756 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.072 6.051 -8.771 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.975 4.195 -5.948 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.660 5.367 -4.797 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.300 5.839 -5.845 1.00 0.07 H new ATOM 472 N ASP A 367 2.422 8.144 -6.617 1.00 0.07 N ATOM 473 CA ASP A 367 1.289 8.827 -6.128 1.00 0.09 C ATOM 474 C ASP A 367 0.197 7.824 -5.802 1.00 0.09 C ATOM 475 O ASP A 367 -0.016 6.873 -6.539 1.00 0.11 O ATOM 476 CB ASP A 367 0.910 9.829 -7.205 1.00 0.13 C ATOM 477 CG ASP A 367 0.763 9.250 -8.612 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.465 8.276 -8.961 1.00 1.80 O1- ATOM 479 OD2 ASP A 367 -0.018 9.813 -9.403 1.00 1.65 O ATOM 0 H ASP A 367 2.339 7.857 -7.592 1.00 0.07 H new ATOM 0 HA ASP A 367 1.472 9.364 -5.197 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.031 10.301 -6.924 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.666 10.614 -7.230 1.00 0.13 H new ATOM 484 N ILE A 368 -0.434 8.007 -4.651 1.00 0.09 N ATOM 485 CA ILE A 368 -1.346 7.006 -4.103 1.00 0.08 C ATOM 486 C ILE A 368 -2.584 7.609 -3.546 1.00 0.07 C ATOM 487 O ILE A 368 -2.815 8.811 -3.613 1.00 0.08 O ATOM 488 CB ILE A 368 -0.733 6.191 -2.964 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.021 7.073 -2.003 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.147 5.123 -3.516 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.847 7.709 -0.930 1.00 0.08 C ATOM 0 H ILE A 368 -0.332 8.842 -4.074 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.566 6.366 -4.957 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.541 5.720 -2.404 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.801 6.483 -1.521 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.520 7.862 -2.566 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.579 4.548 -2.697 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.440 4.462 -4.154 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.946 5.577 -4.102 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.228 8.328 -0.280 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.611 8.328 -1.400 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.326 6.928 -0.339 1.00 0.08 H new ATOM 503 N VAL A 369 -3.347 6.733 -2.947 1.00 0.07 N ATOM 504 CA VAL A 369 -4.513 7.103 -2.210 1.00 0.08 C ATOM 505 C VAL A 369 -4.764 6.077 -1.120 1.00 0.09 C ATOM 506 O VAL A 369 -4.852 4.877 -1.364 1.00 0.10 O ATOM 507 CB VAL A 369 -5.749 7.341 -3.121 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.433 7.015 -4.581 1.00 0.10 C ATOM 509 CG2 VAL A 369 -6.985 6.590 -2.627 1.00 0.09 C ATOM 0 H VAL A 369 -3.168 5.729 -2.961 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.335 8.068 -1.736 1.00 0.08 H new ATOM 0 HB VAL A 369 -5.988 8.403 -3.065 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.318 7.192 -5.193 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.619 7.651 -4.928 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.137 5.969 -4.664 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.822 6.788 -3.296 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.778 5.520 -2.611 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.237 6.926 -1.621 1.00 0.09 H new ATOM 519 N SER A 370 -4.773 6.584 0.093 1.00 0.09 N ATOM 520 CA SER A 370 -4.959 5.782 1.291 1.00 0.08 C ATOM 521 C SER A 370 -6.441 5.510 1.521 1.00 0.08 C ATOM 522 O SER A 370 -7.247 5.739 0.621 1.00 0.10 O ATOM 523 CB SER A 370 -4.286 6.411 2.520 1.00 0.13 C ATOM 524 OG SER A 370 -3.494 5.460 3.176 1.00 1.26 O ATOM 0 H SER A 370 -4.650 7.579 0.282 1.00 0.09 H new ATOM 0 HA SER A 370 -4.462 4.824 1.136 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.672 7.258 2.214 1.00 0.13 H new ATOM 0 HB3 SER A 370 -5.044 6.797 3.202 1.00 0.13 H new ATOM 0 HG SER A 370 -4.018 4.645 3.325 1.00 1.26 H new ATOM 530 N GLY A 371 -6.817 4.995 2.673 1.00 0.09 N ATOM 531 CA GLY A 371 -8.200 4.617 2.844 1.00 0.12 C ATOM 532 C GLY A 371 -9.068 5.785 3.267 1.00 0.12 C ATOM 533 O GLY A 371 -8.571 6.855 3.626 1.00 0.14 O ATOM 0 H GLY A 371 -6.209 4.834 3.476 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.580 4.205 1.909 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.269 3.827 3.592 1.00 0.12 H new ATOM 537 N LYS A 372 -10.371 5.569 3.187 1.00 0.16 N ATOM 538 CA LYS A 372 -11.364 6.636 3.279 1.00 0.16 C ATOM 539 C LYS A 372 -11.496 7.175 4.711 1.00 0.18 C ATOM 540 O LYS A 372 -11.176 6.503 5.677 1.00 0.21 O ATOM 541 CB LYS A 372 -12.701 6.075 2.801 1.00 0.19 C ATOM 542 CG LYS A 372 -13.380 5.208 3.829 1.00 0.27 C ATOM 543 CD LYS A 372 -13.941 3.966 3.199 1.00 0.47 C ATOM 544 CE LYS A 372 -15.035 4.330 2.241 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.543 3.162 1.477 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.776 4.642 3.055 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.048 7.473 2.656 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.362 6.901 2.538 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.540 5.494 1.893 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.668 4.935 4.608 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.180 5.769 4.312 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.153 3.425 2.676 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.328 3.299 3.970 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.859 4.784 2.792 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.666 5.082 1.544 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.541 3.317 1.228 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -14.983 3.046 0.608 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.461 2.304 2.059 1.00 0.79 H new ATOM 559 N PRO A 373 -11.992 8.433 4.823 1.00 0.19 N ATOM 560 CA PRO A 373 -12.087 9.208 6.081 1.00 0.21 C ATOM 561 C PRO A 373 -12.856 8.510 7.158 1.00 0.24 C ATOM 562 O PRO A 373 -12.684 8.767 8.346 1.00 0.28 O ATOM 563 CB PRO A 373 -12.921 10.399 5.664 1.00 0.23 C ATOM 564 CG PRO A 373 -12.580 10.601 4.257 1.00 0.21 C ATOM 565 CD PRO A 373 -12.508 9.221 3.696 1.00 0.19 C ATOM 0 HA PRO A 373 -11.094 9.409 6.483 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.986 10.204 5.792 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.685 11.279 6.261 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.334 11.200 3.746 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.630 11.125 4.149 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.486 8.866 3.370 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.846 9.171 2.832 1.00 0.19 H new ATOM 573 N THR A 374 -13.773 7.702 6.698 1.00 0.25 N ATOM 574 CA THR A 374 -14.679 6.996 7.572 1.00 0.28 C ATOM 575 C THR A 374 -13.917 5.926 8.330 1.00 0.30 C ATOM 576 O THR A 374 -14.202 5.619 9.485 1.00 0.33 O ATOM 577 CB THR A 374 -15.820 6.342 6.774 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.345 5.191 6.076 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.370 7.321 5.766 1.00 0.29 C ATOM 0 H THR A 374 -13.915 7.513 5.706 1.00 0.25 H new ATOM 0 HA THR A 374 -15.113 7.712 8.270 1.00 0.28 H new ATOM 0 HB THR A 374 -16.601 6.048 7.476 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.877 5.059 5.263 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.177 6.851 5.205 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.753 8.200 6.284 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.578 7.620 5.080 1.00 0.29 H new ATOM 587 N THR A 375 -12.940 5.372 7.640 1.00 0.28 N ATOM 588 CA THR A 375 -12.086 4.331 8.174 1.00 0.31 C ATOM 589 C THR A 375 -10.663 4.543 7.682 1.00 0.29 C ATOM 590 O THR A 375 -10.109 3.812 6.857 1.00 0.29 O ATOM 591 CB THR A 375 -12.648 2.967 7.808 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.737 1.907 8.134 1.00 0.39 O ATOM 593 CG2 THR A 375 -13.026 2.940 6.334 1.00 0.31 C ATOM 0 H THR A 375 -12.714 5.636 6.681 1.00 0.28 H new ATOM 0 HA THR A 375 -12.059 4.377 9.263 1.00 0.31 H new ATOM 0 HB THR A 375 -13.546 2.799 8.403 1.00 0.34 H new ATOM 0 HG1 THR A 375 -12.238 1.076 8.271 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.428 1.959 6.079 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.779 3.703 6.137 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.142 3.138 5.728 1.00 0.31 H new ATOM 601 N PRO A 376 -10.102 5.599 8.226 1.00 0.28 N ATOM 602 CA PRO A 376 -8.828 6.191 7.850 1.00 0.26 C ATOM 603 C PRO A 376 -7.654 5.266 7.958 1.00 0.26 C ATOM 604 O PRO A 376 -7.662 4.311 8.735 1.00 0.38 O ATOM 605 CB PRO A 376 -8.699 7.327 8.855 1.00 0.29 C ATOM 606 CG PRO A 376 -10.080 7.661 9.160 1.00 0.32 C ATOM 607 CD PRO A 376 -10.724 6.341 9.295 1.00 0.32 C ATOM 0 HA PRO A 376 -8.820 6.486 6.801 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.154 7.016 9.746 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.163 8.178 8.434 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.160 8.244 10.078 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.536 8.252 8.366 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.534 5.891 10.269 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.806 6.400 9.176 1.00 0.32 H new ATOM 615 N THR A 377 -6.634 5.561 7.188 1.00 0.17 N ATOM 616 CA THR A 377 -5.422 4.826 7.311 1.00 0.21 C ATOM 617 C THR A 377 -4.586 5.440 8.447 1.00 0.17 C ATOM 618 O THR A 377 -4.576 6.660 8.646 1.00 0.21 O ATOM 619 CB THR A 377 -4.652 4.763 5.966 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.426 3.395 5.604 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.324 5.483 6.034 1.00 0.22 C ATOM 0 H THR A 377 -6.629 6.297 6.482 1.00 0.17 H new ATOM 0 HA THR A 377 -5.645 3.790 7.566 1.00 0.21 H new ATOM 0 HB THR A 377 -5.266 5.261 5.216 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.286 2.952 5.448 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.822 5.412 5.069 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.491 6.532 6.280 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.701 5.025 6.802 1.00 0.22 H new ATOM 629 N PRO A 378 -3.910 4.583 9.223 1.00 0.14 N ATOM 630 CA PRO A 378 -3.274 4.932 10.503 1.00 0.15 C ATOM 631 C PRO A 378 -1.988 5.700 10.311 1.00 0.13 C ATOM 632 O PRO A 378 -1.732 6.689 10.993 1.00 0.16 O ATOM 633 CB PRO A 378 -2.947 3.543 11.084 1.00 0.17 C ATOM 634 CG PRO A 378 -3.761 2.600 10.280 1.00 0.19 C ATOM 635 CD PRO A 378 -3.673 3.180 8.922 1.00 0.17 C ATOM 0 HA PRO A 378 -3.908 5.564 11.125 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.884 3.319 11.001 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.203 3.485 12.142 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.361 1.587 10.315 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.791 2.549 10.634 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.700 3.013 8.461 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.421 2.768 8.245 1.00 0.17 H new ATOM 643 N ALA A 379 -1.210 5.228 9.363 1.00 0.11 N ATOM 644 CA ALA A 379 0.132 5.709 9.110 1.00 0.10 C ATOM 645 C ALA A 379 1.071 5.550 10.297 1.00 0.10 C ATOM 646 O ALA A 379 0.752 5.831 11.456 1.00 0.13 O ATOM 647 CB ALA A 379 0.145 7.123 8.581 1.00 0.11 C ATOM 0 H ALA A 379 -1.499 4.481 8.731 1.00 0.11 H new ATOM 0 HA ALA A 379 0.523 5.060 8.326 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.174 7.437 8.407 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.410 7.166 7.644 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.319 7.788 9.309 1.00 0.11 H new ATOM 653 N GLY A 380 2.243 5.098 9.940 1.00 0.10 N ATOM 654 CA GLY A 380 3.305 4.816 10.864 1.00 0.11 C ATOM 655 C GLY A 380 4.195 3.749 10.297 1.00 0.12 C ATOM 656 O GLY A 380 4.753 3.913 9.214 1.00 0.20 O ATOM 0 H GLY A 380 2.491 4.911 8.969 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.882 5.720 11.057 1.00 0.11 H new ATOM 0 HA3 GLY A 380 2.893 4.490 11.819 1.00 0.11 H new ATOM 660 N VAL A 381 4.292 2.638 10.997 1.00 0.12 N ATOM 661 CA VAL A 381 5.059 1.516 10.517 1.00 0.13 C ATOM 662 C VAL A 381 4.183 0.270 10.405 1.00 0.15 C ATOM 663 O VAL A 381 3.611 -0.225 11.383 1.00 0.25 O ATOM 664 CB VAL A 381 6.273 1.257 11.425 1.00 0.17 C ATOM 665 CG1 VAL A 381 5.870 0.658 12.762 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.302 0.377 10.718 1.00 0.82 C ATOM 0 H VAL A 381 3.846 2.491 11.903 1.00 0.12 H new ATOM 0 HA VAL A 381 5.430 1.757 9.521 1.00 0.13 H new ATOM 0 HB VAL A 381 6.732 2.223 11.634 1.00 0.17 H new ATOM 0 HG11 VAL A 381 6.760 0.492 13.369 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.199 1.343 13.280 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.362 -0.292 12.597 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.152 0.207 11.379 1.00 0.82 H new ATOM 0 HG22 VAL A 381 6.847 -0.579 10.460 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.643 0.874 9.810 1.00 0.82 H new ATOM 676 N PHE A 382 4.021 -0.187 9.189 1.00 0.09 N ATOM 677 CA PHE A 382 3.381 -1.447 8.931 1.00 0.09 C ATOM 678 C PHE A 382 4.456 -2.358 8.342 1.00 0.09 C ATOM 679 O PHE A 382 5.628 -1.982 8.344 1.00 0.10 O ATOM 680 CB PHE A 382 2.156 -1.310 8.021 1.00 0.10 C ATOM 681 CG PHE A 382 1.324 -0.072 8.268 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.066 0.356 9.564 1.00 0.18 C ATOM 683 CD2 PHE A 382 0.792 0.661 7.216 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.303 1.474 9.796 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.020 1.783 7.452 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.187 2.218 8.700 1.00 0.18 C ATOM 0 H PHE A 382 4.330 0.306 8.351 1.00 0.09 H new ATOM 0 HA PHE A 382 2.979 -1.872 9.851 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.489 -1.307 6.983 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.524 -2.188 8.150 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.470 -0.197 10.399 1.00 0.18 H new ATOM 0 HD2 PHE A 382 0.984 0.350 6.200 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.080 1.781 10.807 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.420 2.314 6.621 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.728 3.137 8.869 1.00 0.18 H new ATOM 696 N TYR A 383 4.137 -3.541 7.869 1.00 0.11 N ATOM 697 CA TYR A 383 5.216 -4.440 7.494 1.00 0.11 C ATOM 698 C TYR A 383 4.906 -5.339 6.301 1.00 0.11 C ATOM 699 O TYR A 383 3.908 -6.050 6.295 1.00 0.13 O ATOM 700 CB TYR A 383 5.513 -5.291 8.700 1.00 0.13 C ATOM 701 CG TYR A 383 6.817 -5.992 8.608 1.00 0.21 C ATOM 702 CD1 TYR A 383 7.991 -5.317 8.864 1.00 0.25 C ATOM 703 CD2 TYR A 383 6.868 -7.323 8.260 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.198 -5.961 8.787 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.054 -7.988 8.170 1.00 0.49 C ATOM 706 CZ TYR A 383 9.230 -7.309 8.437 1.00 0.50 C ATOM 707 OH TYR A 383 10.423 -7.981 8.384 1.00 0.65 O ATOM 0 H TYR A 383 3.190 -3.896 7.737 1.00 0.11 H new ATOM 0 HA TYR A 383 6.064 -3.832 7.180 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.506 -4.663 9.591 1.00 0.13 H new ATOM 0 HB3 TYR A 383 4.719 -6.027 8.823 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.959 -4.270 9.128 1.00 0.25 H new ATOM 0 HD2 TYR A 383 5.949 -7.851 8.054 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.115 -5.429 8.995 1.00 0.39 H new ATOM 0 HE2 TYR A 383 8.076 -9.032 7.894 1.00 0.49 H new ATOM 0 HH TYR A 383 11.136 -7.361 8.125 1.00 0.65 H new ATOM 717 N VAL A 384 5.786 -5.320 5.293 1.00 0.09 N ATOM 718 CA VAL A 384 5.689 -6.282 4.205 1.00 0.09 C ATOM 719 C VAL A 384 6.411 -7.553 4.581 1.00 0.13 C ATOM 720 O VAL A 384 7.614 -7.730 4.374 1.00 0.16 O ATOM 721 CB VAL A 384 6.173 -5.765 2.827 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.455 -4.998 2.938 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.333 -6.916 1.831 1.00 0.08 C ATOM 0 H VAL A 384 6.558 -4.659 5.214 1.00 0.09 H new ATOM 0 HA VAL A 384 4.624 -6.471 4.072 1.00 0.09 H new ATOM 0 HB VAL A 384 5.406 -5.085 2.457 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.760 -4.653 1.950 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.310 -4.139 3.593 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.230 -5.643 3.352 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.674 -6.523 0.873 1.00 0.08 H new ATOM 0 HG22 VAL A 384 7.065 -7.628 2.212 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.374 -7.418 1.697 1.00 0.08 H new ATOM 733 N TRP A 385 5.634 -8.438 5.142 1.00 0.18 N ATOM 734 CA TRP A 385 6.098 -9.756 5.506 1.00 0.23 C ATOM 735 C TRP A 385 6.329 -10.542 4.226 1.00 0.12 C ATOM 736 O TRP A 385 6.978 -11.582 4.229 1.00 0.21 O ATOM 737 CB TRP A 385 5.042 -10.458 6.358 1.00 0.48 C ATOM 738 CG TRP A 385 4.851 -9.906 7.738 1.00 0.45 C ATOM 739 CD1 TRP A 385 4.111 -8.809 8.104 1.00 0.57 C ATOM 740 CD2 TRP A 385 5.379 -10.452 8.950 1.00 1.08 C ATOM 741 NE1 TRP A 385 4.166 -8.641 9.462 1.00 1.17 N ATOM 742 CE2 TRP A 385 4.933 -9.636 10.004 1.00 1.54 C ATOM 743 CE3 TRP A 385 6.191 -11.552 9.248 1.00 1.37 C ATOM 744 CZ2 TRP A 385 5.268 -9.879 11.326 1.00 2.27 C ATOM 745 CZ3 TRP A 385 6.524 -11.793 10.568 1.00 2.11 C ATOM 746 CH2 TRP A 385 6.062 -10.960 11.594 1.00 2.55 C ATOM 0 H TRP A 385 4.653 -8.267 5.363 1.00 0.18 H new ATOM 0 HA TRP A 385 7.021 -9.687 6.082 1.00 0.23 H new ATOM 0 HB2 TRP A 385 4.088 -10.412 5.833 1.00 0.48 H new ATOM 0 HB3 TRP A 385 5.310 -11.511 6.441 1.00 0.48 H new ATOM 0 HD1 TRP A 385 3.566 -8.173 7.422 1.00 0.57 H new ATOM 0 HE1 TRP A 385 3.709 -7.894 9.985 1.00 1.17 H new ATOM 0 HE3 TRP A 385 6.550 -12.200 8.462 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 4.914 -9.236 12.119 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 7.151 -12.638 10.812 1.00 2.11 H new ATOM 0 HH2 TRP A 385 6.338 -11.175 12.616 1.00 2.55 H new ATOM 757 N ASN A 386 5.783 -10.015 3.130 1.00 0.10 N ATOM 758 CA ASN A 386 5.813 -10.693 1.844 1.00 0.14 C ATOM 759 C ASN A 386 5.342 -9.775 0.727 1.00 0.11 C ATOM 760 O ASN A 386 4.320 -9.112 0.849 1.00 0.12 O ATOM 761 CB ASN A 386 4.951 -11.963 1.871 1.00 0.27 C ATOM 762 CG ASN A 386 4.795 -12.595 0.498 1.00 0.33 C ATOM 763 OD1 ASN A 386 5.624 -13.401 0.072 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.729 -12.237 -0.198 1.00 0.31 N ATOM 0 H ASN A 386 5.311 -9.111 3.113 1.00 0.10 H new ATOM 0 HA ASN A 386 6.848 -10.975 1.650 1.00 0.14 H new ATOM 0 HB2 ASN A 386 5.400 -12.687 2.551 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.966 -11.720 2.269 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.569 -12.632 -1.125 1.00 0.31 H new ATOM 0 HD22 ASN A 386 3.067 -11.566 0.192 1.00 0.31 H new ATOM 771 N LYS A 387 6.101 -9.751 -0.349 1.00 0.11 N ATOM 772 CA LYS A 387 5.708 -9.068 -1.575 1.00 0.09 C ATOM 773 C LYS A 387 5.026 -10.060 -2.506 1.00 0.08 C ATOM 774 O LYS A 387 5.390 -11.236 -2.550 1.00 0.13 O ATOM 775 CB LYS A 387 6.933 -8.447 -2.268 1.00 0.13 C ATOM 776 CG LYS A 387 8.274 -8.817 -1.649 1.00 0.38 C ATOM 777 CD LYS A 387 8.581 -10.280 -1.850 1.00 0.20 C ATOM 778 CE LYS A 387 9.086 -10.566 -3.242 1.00 0.40 C ATOM 779 NZ LYS A 387 9.563 -11.965 -3.397 1.00 1.12 N1+ ATOM 0 H LYS A 387 7.013 -10.205 -0.403 1.00 0.11 H new ATOM 0 HA LYS A 387 5.015 -8.264 -1.327 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.935 -8.753 -3.314 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.829 -7.362 -2.254 1.00 0.13 H new ATOM 0 HG2 LYS A 387 9.063 -8.212 -2.096 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.261 -8.588 -0.583 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.327 -10.597 -1.122 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.683 -10.868 -1.663 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.289 -10.375 -3.961 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.899 -9.880 -3.478 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 9.900 -12.111 -4.370 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.342 -12.142 -2.731 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.782 -12.622 -3.198 1.00 1.12 H new ATOM 793 N GLU A 388 4.034 -9.579 -3.240 1.00 0.09 N ATOM 794 CA GLU A 388 3.147 -10.452 -3.996 1.00 0.10 C ATOM 795 C GLU A 388 3.057 -10.126 -5.467 1.00 0.10 C ATOM 796 O GLU A 388 3.310 -9.006 -5.898 1.00 0.10 O ATOM 797 CB GLU A 388 1.759 -10.348 -3.413 1.00 0.09 C ATOM 798 CG GLU A 388 1.500 -11.302 -2.320 1.00 0.15 C ATOM 799 CD GLU A 388 1.590 -12.750 -2.749 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.592 -13.278 -3.276 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.660 -13.367 -2.570 1.00 0.71 O1- ATOM 0 H GLU A 388 3.822 -8.585 -3.329 1.00 0.09 H new ATOM 0 HA GLU A 388 3.567 -11.455 -3.918 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.606 -9.335 -3.042 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.029 -10.511 -4.206 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.215 -11.124 -1.516 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.507 -11.113 -1.911 1.00 0.15 H new ATOM 808 N GLU A 389 2.665 -11.148 -6.201 1.00 0.10 N ATOM 809 CA GLU A 389 2.367 -11.079 -7.605 1.00 0.11 C ATOM 810 C GLU A 389 1.102 -11.854 -7.861 1.00 0.16 C ATOM 811 O GLU A 389 1.003 -13.019 -7.467 1.00 0.28 O ATOM 812 CB GLU A 389 3.478 -11.671 -8.443 1.00 0.14 C ATOM 813 CG GLU A 389 4.672 -10.771 -8.577 1.00 0.16 C ATOM 814 CD GLU A 389 5.762 -11.380 -9.434 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.195 -12.514 -9.140 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.198 -10.729 -10.407 1.00 0.38 O ATOM 0 H GLU A 389 2.543 -12.084 -5.814 1.00 0.10 H new ATOM 0 HA GLU A 389 2.255 -10.031 -7.883 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.793 -12.616 -7.999 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.091 -11.899 -9.436 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.360 -9.821 -9.011 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.072 -10.553 -7.587 1.00 0.16 H new ATOM 823 N ASP A 390 0.152 -11.214 -8.507 1.00 0.12 N ATOM 824 CA ASP A 390 -1.139 -11.829 -8.785 1.00 0.15 C ATOM 825 C ASP A 390 -1.775 -12.288 -7.467 1.00 0.16 C ATOM 826 O ASP A 390 -2.289 -13.398 -7.314 1.00 0.25 O ATOM 827 CB ASP A 390 -0.929 -12.962 -9.780 1.00 0.19 C ATOM 828 CG ASP A 390 -2.192 -13.741 -10.092 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.105 -13.175 -10.726 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.271 -14.929 -9.717 1.00 0.36 O1- ATOM 0 H ASP A 390 0.246 -10.260 -8.854 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.834 -11.121 -9.237 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.528 -12.551 -10.706 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.179 -13.647 -9.385 1.00 0.19 H new ATOM 835 N ALA A 391 -1.688 -11.379 -6.511 1.00 0.12 N ATOM 836 CA ALA A 391 -2.261 -11.528 -5.190 1.00 0.11 C ATOM 837 C ALA A 391 -3.733 -11.224 -5.257 1.00 0.10 C ATOM 838 O ALA A 391 -4.211 -10.706 -6.248 1.00 0.11 O ATOM 839 CB ALA A 391 -1.610 -10.534 -4.270 1.00 0.10 C ATOM 0 H ALA A 391 -1.202 -10.492 -6.639 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.104 -12.544 -4.827 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.031 -10.634 -3.270 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.537 -10.722 -4.232 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.789 -9.524 -4.640 1.00 0.10 H new ATOM 845 N THR A 392 -4.466 -11.548 -4.229 1.00 0.11 N ATOM 846 CA THR A 392 -5.847 -11.130 -4.186 1.00 0.11 C ATOM 847 C THR A 392 -6.208 -10.503 -2.863 1.00 0.11 C ATOM 848 O THR A 392 -6.127 -11.119 -1.804 1.00 0.14 O ATOM 849 CB THR A 392 -6.822 -12.269 -4.504 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.370 -13.010 -5.644 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.204 -11.702 -4.786 1.00 0.15 C ATOM 0 H THR A 392 -4.145 -12.087 -3.425 1.00 0.11 H new ATOM 0 HA THR A 392 -5.946 -10.377 -4.968 1.00 0.11 H new ATOM 0 HB THR A 392 -6.869 -12.936 -3.643 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.001 -13.735 -5.834 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.892 -12.517 -5.011 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.560 -11.158 -3.911 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.152 -11.024 -5.638 1.00 0.15 H new ATOM 859 N LEU A 393 -6.610 -9.265 -2.960 1.00 0.10 N ATOM 860 CA LEU A 393 -7.020 -8.482 -1.811 1.00 0.12 C ATOM 861 C LEU A 393 -8.446 -8.747 -1.421 1.00 0.15 C ATOM 862 O LEU A 393 -9.379 -8.084 -1.866 1.00 0.16 O ATOM 863 CB LEU A 393 -6.844 -7.033 -2.155 1.00 0.11 C ATOM 864 CG LEU A 393 -5.449 -6.458 -2.006 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.421 -7.439 -2.495 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.354 -5.209 -2.826 1.00 0.51 C ATOM 0 H LEU A 393 -6.665 -8.760 -3.845 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.404 -8.762 -0.956 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.162 -6.888 -3.187 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.520 -6.451 -1.528 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.262 -6.244 -0.954 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.425 -7.010 -2.381 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.489 -8.358 -1.913 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.602 -7.661 -3.547 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.355 -4.784 -2.728 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.547 -5.445 -3.872 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.091 -4.487 -2.475 1.00 0.51 H new ATOM 878 N LYS A 394 -8.582 -9.722 -0.593 1.00 0.18 N ATOM 879 CA LYS A 394 -9.854 -10.118 -0.052 1.00 0.23 C ATOM 880 C LYS A 394 -10.086 -9.635 1.346 1.00 0.29 C ATOM 881 O LYS A 394 -9.243 -8.962 1.947 1.00 0.29 O ATOM 882 CB LYS A 394 -9.862 -11.584 -0.078 1.00 0.25 C ATOM 883 CG LYS A 394 -9.794 -12.053 -1.454 1.00 0.23 C ATOM 884 CD LYS A 394 -10.287 -13.404 -1.510 1.00 0.27 C ATOM 885 CE LYS A 394 -9.609 -14.023 -2.650 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.913 -15.468 -2.821 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.800 -10.285 -0.259 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.653 -9.675 -0.647 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -9.016 -11.972 0.490 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.766 -11.960 0.400 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.387 -11.408 -2.102 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.767 -12.011 -1.816 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -10.069 -13.940 -0.586 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.369 -13.421 -1.641 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.891 -13.493 -3.559 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.533 -13.900 -2.530 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.398 -15.836 -3.646 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.619 -15.988 -1.970 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.935 -15.593 -2.967 1.00 0.33 H new ATOM 900 N GLY A 395 -11.259 -9.953 1.842 1.00 0.34 N ATOM 901 CA GLY A 395 -11.608 -9.540 3.168 1.00 0.41 C ATOM 902 C GLY A 395 -13.021 -9.050 3.240 1.00 0.46 C ATOM 903 O GLY A 395 -13.824 -9.323 2.349 1.00 0.43 O ATOM 0 H GLY A 395 -11.974 -10.489 1.350 1.00 0.34 H new ATOM 0 HA2 GLY A 395 -11.477 -10.375 3.856 1.00 0.41 H new ATOM 0 HA3 GLY A 395 -10.931 -8.750 3.493 1.00 0.41 H new ATOM 907 N THR A 396 -13.335 -8.311 4.283 1.00 0.53 N ATOM 908 CA THR A 396 -14.594 -7.627 4.330 1.00 0.58 C ATOM 909 C THR A 396 -14.394 -6.130 4.331 1.00 0.61 C ATOM 910 O THR A 396 -13.479 -5.619 4.973 1.00 0.66 O ATOM 911 CB THR A 396 -15.439 -7.996 5.554 1.00 0.67 C ATOM 912 OG1 THR A 396 -15.269 -9.379 5.888 1.00 0.69 O ATOM 913 CG2 THR A 396 -16.888 -7.719 5.256 1.00 0.71 C ATOM 0 H THR A 396 -12.738 -8.174 5.098 1.00 0.53 H new ATOM 0 HA THR A 396 -15.130 -7.946 3.436 1.00 0.58 H new ATOM 0 HB THR A 396 -15.113 -7.395 6.403 1.00 0.67 H new ATOM 0 HG1 THR A 396 -15.815 -9.595 6.673 1.00 0.69 H new ATOM 0 HG21 THR A 396 -17.494 -7.980 6.124 1.00 0.71 H new ATOM 0 HG22 THR A 396 -17.017 -6.661 5.028 1.00 0.71 H new ATOM 0 HG23 THR A 396 -17.204 -8.316 4.400 1.00 0.71 H new ATOM 921 N ASN A 397 -15.239 -5.447 3.578 1.00 0.62 N ATOM 922 CA ASN A 397 -15.338 -4.011 3.643 1.00 0.71 C ATOM 923 C ASN A 397 -15.648 -3.596 5.060 1.00 0.84 C ATOM 924 O ASN A 397 -16.230 -4.362 5.829 1.00 0.84 O ATOM 925 CB ASN A 397 -16.457 -3.552 2.728 1.00 0.72 C ATOM 926 CG ASN A 397 -15.933 -3.198 1.361 1.00 0.69 C ATOM 927 OD1 ASN A 397 -15.561 -2.057 1.102 1.00 0.77 O ATOM 928 ND2 ASN A 397 -15.879 -4.179 0.481 1.00 0.59 N ATOM 0 H ASN A 397 -15.873 -5.879 2.906 1.00 0.62 H new ATOM 0 HA ASN A 397 -14.396 -3.560 3.330 1.00 0.71 H new ATOM 0 HB2 ASN A 397 -17.205 -4.340 2.641 1.00 0.72 H new ATOM 0 HB3 ASN A 397 -16.955 -2.686 3.165 1.00 0.72 H new ATOM 0 HD21 ASN A 397 -15.517 -4.004 -0.457 1.00 0.59 H new ATOM 0 HD22 ASN A 397 -16.199 -5.113 0.738 1.00 0.59 H new ATOM 935 N ASP A 398 -15.282 -2.364 5.380 1.00 0.97 N ATOM 936 CA ASP A 398 -15.523 -1.775 6.697 1.00 1.13 C ATOM 937 C ASP A 398 -17.001 -1.662 6.968 1.00 1.15 C ATOM 938 O ASP A 398 -17.427 -1.205 8.026 1.00 1.25 O ATOM 939 CB ASP A 398 -14.939 -0.401 6.739 1.00 1.29 C ATOM 940 CG ASP A 398 -14.496 0.020 8.130 1.00 1.90 C ATOM 941 OD1 ASP A 398 -13.347 -0.281 8.509 1.00 2.28 O ATOM 942 OD2 ASP A 398 -15.296 0.663 8.848 1.00 2.27 O1- ATOM 0 H ASP A 398 -14.806 -1.737 4.732 1.00 0.97 H new ATOM 0 HA ASP A 398 -15.062 -2.417 7.448 1.00 1.13 H new ATOM 0 HB2 ASP A 398 -14.085 -0.356 6.064 1.00 1.29 H new ATOM 0 HB3 ASP A 398 -15.676 0.311 6.369 1.00 1.29 H new ATOM 947 N ASP A 399 -17.771 -2.065 5.986 1.00 1.06 N ATOM 948 CA ASP A 399 -19.212 -1.975 6.061 1.00 1.09 C ATOM 949 C ASP A 399 -19.833 -3.351 6.072 1.00 1.01 C ATOM 950 O ASP A 399 -21.051 -3.511 6.095 1.00 1.05 O ATOM 951 CB ASP A 399 -19.769 -1.192 4.889 1.00 1.09 C ATOM 952 CG ASP A 399 -21.212 -0.774 5.080 1.00 1.65 C ATOM 953 OD1 ASP A 399 -21.480 0.069 5.962 1.00 2.15 O ATOM 954 OD2 ASP A 399 -22.081 -1.267 4.332 1.00 2.27 O1- ATOM 0 H ASP A 399 -17.420 -2.463 5.115 1.00 1.06 H new ATOM 0 HA ASP A 399 -19.459 -1.457 6.988 1.00 1.09 H new ATOM 0 HB2 ASP A 399 -19.158 -0.303 4.732 1.00 1.09 H new ATOM 0 HB3 ASP A 399 -19.690 -1.797 3.986 1.00 1.09 H new ATOM 959 N GLY A 400 -18.969 -4.353 6.066 1.00 0.94 N ATOM 960 CA GLY A 400 -19.424 -5.690 6.265 1.00 0.92 C ATOM 961 C GLY A 400 -19.688 -6.407 4.987 1.00 0.84 C ATOM 962 O GLY A 400 -20.326 -7.455 4.965 1.00 0.90 O ATOM 0 H GLY A 400 -17.964 -4.253 5.926 1.00 0.94 H new ATOM 0 HA2 GLY A 400 -18.678 -6.241 6.838 1.00 0.92 H new ATOM 0 HA3 GLY A 400 -20.336 -5.673 6.862 1.00 0.92 H new ATOM 966 N THR A 401 -19.153 -5.857 3.935 1.00 0.76 N ATOM 967 CA THR A 401 -19.391 -6.365 2.609 1.00 0.68 C ATOM 968 C THR A 401 -18.112 -6.997 2.059 1.00 0.60 C ATOM 969 O THR A 401 -17.173 -6.307 1.659 1.00 0.57 O ATOM 970 CB THR A 401 -19.924 -5.232 1.703 1.00 0.70 C ATOM 971 OG1 THR A 401 -18.874 -4.361 1.279 1.00 0.69 O ATOM 972 CG2 THR A 401 -20.937 -4.414 2.477 1.00 0.81 C ATOM 0 H THR A 401 -18.539 -5.043 3.969 1.00 0.76 H new ATOM 0 HA THR A 401 -20.152 -7.144 2.638 1.00 0.68 H new ATOM 0 HB THR A 401 -20.376 -5.690 0.823 1.00 0.70 H new ATOM 0 HG1 THR A 401 -18.092 -4.893 1.022 1.00 0.69 H new ATOM 0 HG21 THR A 401 -21.318 -3.612 1.844 1.00 0.81 H new ATOM 0 HG22 THR A 401 -21.763 -5.055 2.786 1.00 0.81 H new ATOM 0 HG23 THR A 401 -20.461 -3.985 3.359 1.00 0.81 H new ATOM 980 N PRO A 402 -18.020 -8.328 2.116 1.00 0.57 N ATOM 981 CA PRO A 402 -16.836 -9.056 1.675 1.00 0.50 C ATOM 982 C PRO A 402 -16.498 -8.806 0.232 1.00 0.44 C ATOM 983 O PRO A 402 -17.367 -8.534 -0.599 1.00 0.46 O ATOM 984 CB PRO A 402 -17.205 -10.503 1.887 1.00 0.53 C ATOM 985 CG PRO A 402 -18.676 -10.532 2.001 1.00 0.60 C ATOM 986 CD PRO A 402 -19.048 -9.242 2.627 1.00 0.63 C ATOM 0 HA PRO A 402 -15.949 -8.743 2.226 1.00 0.50 H new ATOM 0 HB2 PRO A 402 -16.865 -11.119 1.054 1.00 0.53 H new ATOM 0 HB3 PRO A 402 -16.735 -10.898 2.788 1.00 0.53 H new ATOM 0 HG2 PRO A 402 -19.144 -10.643 1.023 1.00 0.60 H new ATOM 0 HG3 PRO A 402 -19.006 -11.374 2.610 1.00 0.60 H new ATOM 0 HD2 PRO A 402 -20.051 -8.926 2.339 1.00 0.63 H new ATOM 0 HD3 PRO A 402 -19.033 -9.301 3.715 1.00 0.63 H new ATOM 994 N TYR A 403 -15.222 -8.900 -0.051 1.00 0.37 N ATOM 995 CA TYR A 403 -14.720 -8.473 -1.339 1.00 0.33 C ATOM 996 C TYR A 403 -13.464 -9.199 -1.747 1.00 0.27 C ATOM 997 O TYR A 403 -12.851 -9.925 -0.961 1.00 0.27 O ATOM 998 CB TYR A 403 -14.412 -6.980 -1.330 1.00 0.35 C ATOM 999 CG TYR A 403 -13.272 -6.608 -0.399 1.00 0.35 C ATOM 1000 CD1 TYR A 403 -13.459 -6.572 0.983 1.00 0.40 C ATOM 1001 CD2 TYR A 403 -12.011 -6.297 -0.895 1.00 0.32 C ATOM 1002 CE1 TYR A 403 -12.429 -6.238 1.838 1.00 0.42 C ATOM 1003 CE2 TYR A 403 -10.976 -5.964 -0.038 1.00 0.33 C ATOM 1004 CZ TYR A 403 -11.171 -5.915 1.293 1.00 0.37 C ATOM 1005 OH TYR A 403 -10.160 -5.605 2.172 1.00 0.41 O ATOM 0 H TYR A 403 -14.514 -9.265 0.586 1.00 0.37 H new ATOM 0 HA TYR A 403 -15.508 -8.705 -2.055 1.00 0.33 H new ATOM 0 HB2 TYR A 403 -14.164 -6.661 -2.342 1.00 0.35 H new ATOM 0 HB3 TYR A 403 -15.307 -6.433 -1.034 1.00 0.35 H new ATOM 0 HD1 TYR A 403 -14.430 -6.810 1.392 1.00 0.40 H new ATOM 0 HD2 TYR A 403 -11.837 -6.315 -1.961 1.00 0.32 H new ATOM 0 HE1 TYR A 403 -12.585 -6.224 2.907 1.00 0.42 H new ATOM 0 HE2 TYR A 403 -10.000 -5.741 -0.442 1.00 0.33 H new ATOM 0 HH TYR A 403 -9.580 -6.386 2.292 1.00 0.41 H new ATOM 1015 N GLU A 404 -13.071 -8.929 -2.974 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.810 -9.379 -3.508 1.00 0.21 C ATOM 1017 C GLU A 404 -11.255 -8.340 -4.446 1.00 0.20 C ATOM 1018 O GLU A 404 -11.999 -7.623 -5.112 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.960 -10.676 -4.281 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.259 -11.872 -3.410 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.618 -12.470 -3.690 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -14.613 -11.999 -3.102 1.00 0.53 O ATOM 1023 OE2 GLU A 404 -13.700 -13.419 -4.493 1.00 0.39 O1- ATOM 0 H GLU A 404 -13.627 -8.384 -3.633 1.00 0.25 H new ATOM 0 HA GLU A 404 -11.140 -9.542 -2.664 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.760 -10.562 -5.013 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.042 -10.864 -4.838 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.493 -12.631 -3.567 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.205 -11.576 -2.362 1.00 0.24 H new ATOM 1030 N SER A 405 -9.949 -8.243 -4.479 1.00 0.16 N ATOM 1031 CA SER A 405 -9.300 -7.430 -5.459 1.00 0.15 C ATOM 1032 C SER A 405 -8.030 -8.106 -5.869 1.00 0.13 C ATOM 1033 O SER A 405 -7.005 -7.993 -5.199 1.00 0.11 O ATOM 1034 CB SER A 405 -8.967 -6.062 -4.893 1.00 0.15 C ATOM 1035 OG SER A 405 -9.803 -5.738 -3.790 1.00 0.19 O ATOM 0 H SER A 405 -9.319 -8.721 -3.834 1.00 0.16 H new ATOM 0 HA SER A 405 -9.967 -7.301 -6.311 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.924 -6.041 -4.579 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.081 -5.307 -5.671 1.00 0.15 H new ATOM 0 HG SER A 405 -9.563 -4.852 -3.447 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.080 -8.827 -6.972 1.00 0.15 N ATOM 1042 CA PRO A 406 -6.933 -9.512 -7.483 1.00 0.14 C ATOM 1043 C PRO A 406 -5.936 -8.512 -7.982 1.00 0.13 C ATOM 1044 O PRO A 406 -6.136 -7.829 -8.989 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.494 -10.410 -8.583 1.00 0.18 C ATOM 1046 CG PRO A 406 -8.952 -10.417 -8.321 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.251 -9.060 -7.792 1.00 0.18 C ATOM 0 HA PRO A 406 -6.397 -10.106 -6.742 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.267 -10.018 -9.574 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.073 -11.414 -8.533 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.516 -10.620 -9.231 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.221 -11.190 -7.601 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.354 -8.320 -8.586 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.174 -9.036 -7.212 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.875 -8.447 -7.239 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.905 -7.424 -7.348 1.00 0.09 C ATOM 1057 C VAL A 407 -2.659 -8.047 -7.936 1.00 0.11 C ATOM 1058 O VAL A 407 -2.448 -9.246 -7.828 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.695 -6.870 -5.925 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.446 -7.335 -5.264 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.868 -5.383 -5.831 1.00 0.08 C ATOM 0 H VAL A 407 -4.661 -9.134 -6.516 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.197 -6.599 -7.998 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.508 -7.312 -5.349 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.377 -6.898 -4.268 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.460 -8.422 -5.183 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.584 -7.026 -5.856 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.706 -5.062 -4.802 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.146 -4.891 -6.483 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.878 -5.114 -6.140 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.859 -7.260 -8.588 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.712 -7.785 -9.292 1.00 0.12 C ATOM 1073 C ASN A 408 0.444 -7.870 -8.344 1.00 0.10 C ATOM 1074 O ASN A 408 1.385 -8.621 -8.569 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.394 -6.876 -10.462 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.474 -6.939 -11.510 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.361 -7.668 -12.497 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.541 -6.199 -11.280 1.00 0.38 N ATOM 0 H ASN A 408 -1.973 -6.248 -8.652 1.00 0.11 H new ATOM 0 HA ASN A 408 -0.919 -8.784 -9.676 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.285 -5.850 -10.110 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.560 -7.165 -10.902 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.323 -6.214 -11.935 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.585 -5.612 -10.447 1.00 0.38 H new ATOM 1085 N TYR A 409 0.340 -7.114 -7.267 1.00 0.08 N ATOM 1086 CA TYR A 409 1.440 -6.916 -6.345 1.00 0.06 C ATOM 1087 C TYR A 409 0.886 -6.474 -5.010 1.00 0.06 C ATOM 1088 O TYR A 409 0.164 -5.480 -4.923 1.00 0.06 O ATOM 1089 CB TYR A 409 2.463 -5.893 -6.873 1.00 0.06 C ATOM 1090 CG TYR A 409 3.087 -6.291 -8.189 1.00 0.08 C ATOM 1091 CD1 TYR A 409 4.248 -7.049 -8.225 1.00 0.11 C ATOM 1092 CD2 TYR A 409 2.548 -5.865 -9.392 1.00 0.13 C ATOM 1093 CE1 TYR A 409 4.857 -7.370 -9.420 1.00 0.17 C ATOM 1094 CE2 TYR A 409 3.142 -6.190 -10.593 1.00 0.18 C ATOM 1095 CZ TYR A 409 4.173 -7.106 -10.614 1.00 0.17 C ATOM 1096 OH TYR A 409 4.897 -7.254 -11.807 1.00 0.27 O ATOM 0 H TYR A 409 -0.513 -6.619 -7.007 1.00 0.08 H new ATOM 0 HA TYR A 409 1.972 -7.861 -6.234 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.972 -4.927 -6.990 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.251 -5.762 -6.131 1.00 0.06 H new ATOM 0 HD1 TYR A 409 4.684 -7.395 -7.299 1.00 0.11 H new ATOM 0 HD2 TYR A 409 1.648 -5.268 -9.389 1.00 0.13 H new ATOM 0 HE1 TYR A 409 5.841 -7.816 -9.435 1.00 0.17 H new ATOM 0 HE2 TYR A 409 2.803 -5.731 -11.510 1.00 0.18 H new ATOM 0 HH TYR A 409 4.318 -7.045 -12.569 1.00 0.27 H new ATOM 1106 N TRP A 410 1.251 -7.196 -3.978 1.00 0.06 N ATOM 1107 CA TRP A 410 0.617 -7.074 -2.680 1.00 0.06 C ATOM 1108 C TRP A 410 1.618 -7.263 -1.574 1.00 0.06 C ATOM 1109 O TRP A 410 2.492 -8.115 -1.638 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.468 -8.132 -2.611 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.119 -8.324 -1.297 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.257 -9.494 -0.670 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.736 -7.341 -0.484 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -1.961 -9.322 0.502 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.266 -7.982 0.640 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.885 -5.987 -0.619 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.957 -7.270 1.639 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.553 -5.275 0.342 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.091 -5.914 1.468 1.00 0.07 C ATOM 0 H TRP A 410 1.999 -7.889 -4.011 1.00 0.06 H new ATOM 0 HA TRP A 410 0.191 -6.078 -2.555 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.238 -7.879 -3.340 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.037 -9.084 -2.921 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.873 -10.438 -1.029 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.215 -10.061 1.158 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.477 -5.481 -1.481 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.365 -7.770 2.505 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.667 -4.207 0.231 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.617 -5.332 2.210 1.00 0.07 H new ATOM 1130 N MET A 411 1.516 -6.428 -0.583 1.00 0.08 N ATOM 1131 CA MET A 411 2.316 -6.577 0.596 1.00 0.09 C ATOM 1132 C MET A 411 1.375 -6.744 1.779 1.00 0.12 C ATOM 1133 O MET A 411 0.878 -5.750 2.312 1.00 0.14 O ATOM 1134 CB MET A 411 3.200 -5.351 0.799 1.00 0.10 C ATOM 1135 CG MET A 411 3.883 -4.822 -0.456 1.00 0.09 C ATOM 1136 SD MET A 411 5.061 -5.978 -1.165 1.00 0.06 S ATOM 1137 CE MET A 411 5.920 -4.926 -2.329 1.00 0.06 C ATOM 0 H MET A 411 0.881 -5.630 -0.568 1.00 0.08 H new ATOM 0 HA MET A 411 2.967 -7.446 0.500 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.592 -4.553 1.225 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.967 -5.595 1.534 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.124 -4.584 -1.201 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.397 -3.891 -0.217 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.526 -5.094 -3.331 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.774 -3.882 -2.052 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.985 -5.160 -2.314 1.00 0.06 H new ATOM 1147 N PRO A 412 1.058 -7.997 2.162 1.00 0.13 N ATOM 1148 CA PRO A 412 0.155 -8.274 3.277 1.00 0.19 C ATOM 1149 C PRO A 412 0.727 -7.811 4.606 1.00 0.25 C ATOM 1150 O PRO A 412 1.349 -8.581 5.341 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.018 -9.795 3.255 1.00 0.24 C ATOM 1152 CG PRO A 412 1.175 -10.303 2.524 1.00 0.23 C ATOM 1153 CD PRO A 412 1.538 -9.236 1.530 1.00 0.16 C ATOM 0 HA PRO A 412 -0.789 -7.739 3.173 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.066 -10.202 4.265 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -0.942 -10.081 2.752 1.00 0.24 H new ATOM 0 HG2 PRO A 412 2.000 -10.494 3.210 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.953 -11.245 2.022 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.613 -9.204 1.350 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.059 -9.406 0.566 1.00 0.16 H new ATOM 1161 N ILE A 413 0.525 -6.545 4.898 1.00 0.17 N ATOM 1162 CA ILE A 413 1.006 -5.964 6.131 1.00 0.22 C ATOM 1163 C ILE A 413 -0.018 -6.223 7.238 1.00 0.37 C ATOM 1164 O ILE A 413 -1.071 -6.808 6.976 1.00 0.88 O ATOM 1165 CB ILE A 413 1.310 -4.460 5.930 1.00 0.18 C ATOM 1166 CG1 ILE A 413 0.047 -3.628 5.895 1.00 0.18 C ATOM 1167 CG2 ILE A 413 2.063 -4.264 4.623 1.00 0.15 C ATOM 1168 CD1 ILE A 413 0.309 -2.216 5.422 1.00 0.16 C ATOM 0 H ILE A 413 0.026 -5.894 4.292 1.00 0.17 H new ATOM 0 HA ILE A 413 1.944 -6.430 6.433 1.00 0.22 H new ATOM 0 HB ILE A 413 1.913 -4.130 6.776 1.00 0.18 H new ATOM 0 HG12 ILE A 413 -0.680 -4.102 5.236 1.00 0.18 H new ATOM 0 HG13 ILE A 413 -0.396 -3.600 6.891 1.00 0.18 H new ATOM 0 HG21 ILE A 413 2.277 -3.205 4.482 1.00 0.15 H new ATOM 0 HG22 ILE A 413 2.999 -4.822 4.655 1.00 0.15 H new ATOM 0 HG23 ILE A 413 1.454 -4.625 3.794 1.00 0.15 H new ATOM 0 HD11 ILE A 413 -0.626 -1.656 5.413 1.00 0.16 H new ATOM 0 HD12 ILE A 413 1.016 -1.732 6.096 1.00 0.16 H new ATOM 0 HD13 ILE A 413 0.727 -2.241 4.415 1.00 0.16 H new ATOM 1180 N ASP A 414 0.267 -5.817 8.468 1.00 0.65 N ATOM 1181 CA ASP A 414 -0.526 -6.315 9.594 1.00 0.84 C ATOM 1182 C ASP A 414 -0.743 -5.252 10.677 1.00 0.90 C ATOM 1183 O ASP A 414 -0.402 -4.083 10.487 1.00 1.48 O ATOM 1184 CB ASP A 414 0.143 -7.565 10.185 1.00 1.53 C ATOM 1185 CG ASP A 414 -0.833 -8.488 10.890 1.00 2.06 C ATOM 1186 OD1 ASP A 414 -1.458 -9.327 10.214 1.00 2.49 O1- ATOM 1187 OD2 ASP A 414 -0.986 -8.375 12.125 1.00 2.33 O ATOM 0 H ASP A 414 1.014 -5.167 8.712 1.00 0.65 H new ATOM 0 HA ASP A 414 -1.514 -6.575 9.213 1.00 0.84 H new ATOM 0 HB2 ASP A 414 0.641 -8.115 9.386 1.00 1.53 H new ATOM 0 HB3 ASP A 414 0.916 -7.257 10.890 1.00 1.53 H new ATOM 1192 N TRP A 415 -1.321 -5.715 11.809 1.00 0.81 N ATOM 1193 CA TRP A 415 -1.628 -4.941 13.041 1.00 1.12 C ATOM 1194 C TRP A 415 -2.399 -3.643 12.822 1.00 0.88 C ATOM 1195 O TRP A 415 -2.767 -2.972 13.789 1.00 1.14 O ATOM 1196 CB TRP A 415 -0.381 -4.694 13.920 1.00 1.66 C ATOM 1197 CG TRP A 415 0.840 -4.181 13.222 1.00 1.44 C ATOM 1198 CD1 TRP A 415 1.175 -2.881 12.970 1.00 1.66 C ATOM 1199 CD2 TRP A 415 1.908 -4.976 12.723 1.00 1.39 C ATOM 1200 NE1 TRP A 415 2.385 -2.828 12.319 1.00 1.92 N ATOM 1201 CE2 TRP A 415 2.854 -4.107 12.160 1.00 1.61 C ATOM 1202 CE3 TRP A 415 2.147 -6.346 12.695 1.00 1.49 C ATOM 1203 CZ2 TRP A 415 4.023 -4.574 11.576 1.00 1.72 C ATOM 1204 CZ3 TRP A 415 3.298 -6.809 12.117 1.00 1.40 C ATOM 1205 CH2 TRP A 415 4.224 -5.931 11.564 1.00 1.42 C ATOM 0 H TRP A 415 -1.602 -6.692 11.896 1.00 0.81 H new ATOM 0 HA TRP A 415 -2.309 -5.598 13.582 1.00 1.12 H new ATOM 0 HB2 TRP A 415 -0.650 -3.984 14.702 1.00 1.66 H new ATOM 0 HB3 TRP A 415 -0.122 -5.630 14.415 1.00 1.66 H new ATOM 0 HD1 TRP A 415 0.578 -2.023 13.242 1.00 1.66 H new ATOM 0 HE1 TRP A 415 2.856 -1.979 12.006 1.00 1.92 H new ATOM 0 HE3 TRP A 415 1.434 -7.035 13.123 1.00 1.49 H new ATOM 0 HZ2 TRP A 415 4.746 -3.896 11.148 1.00 1.72 H new ATOM 0 HZ3 TRP A 415 3.490 -7.871 12.090 1.00 1.40 H new ATOM 0 HH2 TRP A 415 5.123 -6.327 11.114 1.00 1.42 H new ATOM 1216 N THR A 416 -2.644 -3.288 11.576 1.00 0.62 N ATOM 1217 CA THR A 416 -3.323 -2.048 11.254 1.00 0.61 C ATOM 1218 C THR A 416 -4.454 -2.260 10.261 1.00 0.52 C ATOM 1219 O THR A 416 -5.271 -1.369 10.032 1.00 0.71 O ATOM 1220 CB THR A 416 -2.326 -1.042 10.675 1.00 0.76 C ATOM 1221 OG1 THR A 416 -1.569 -1.661 9.625 1.00 0.82 O ATOM 1222 CG2 THR A 416 -1.390 -0.551 11.758 1.00 0.95 C ATOM 0 H THR A 416 -2.380 -3.846 10.764 1.00 0.62 H new ATOM 0 HA THR A 416 -3.752 -1.663 12.179 1.00 0.61 H new ATOM 0 HB THR A 416 -2.876 -0.192 10.272 1.00 0.76 H new ATOM 0 HG1 THR A 416 -1.061 -2.416 9.989 1.00 0.82 H new ATOM 0 HG21 THR A 416 -0.686 0.164 11.333 1.00 0.95 H new ATOM 0 HG22 THR A 416 -1.967 -0.067 12.546 1.00 0.95 H new ATOM 0 HG23 THR A 416 -0.842 -1.396 12.176 1.00 0.95 H new ATOM 1230 N GLY A 417 -4.470 -3.427 9.639 1.00 0.42 N ATOM 1231 CA GLY A 417 -5.499 -3.734 8.668 1.00 0.48 C ATOM 1232 C GLY A 417 -5.076 -3.323 7.283 1.00 0.49 C ATOM 1233 O GLY A 417 -5.469 -3.942 6.299 1.00 0.68 O ATOM 0 H GLY A 417 -3.787 -4.170 9.789 1.00 0.42 H new ATOM 0 HA2 GLY A 417 -5.712 -4.803 8.685 1.00 0.48 H new ATOM 0 HA3 GLY A 417 -6.422 -3.221 8.937 1.00 0.48 H new ATOM 1237 N VAL A 418 -4.239 -2.291 7.236 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.723 -1.716 5.999 1.00 0.26 C ATOM 1239 C VAL A 418 -3.033 -2.774 5.133 1.00 0.24 C ATOM 1240 O VAL A 418 -2.847 -3.919 5.547 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.711 -0.590 6.331 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.213 0.148 5.083 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.328 0.392 7.303 1.00 0.75 C ATOM 0 H VAL A 418 -3.894 -1.822 8.073 1.00 0.32 H new ATOM 0 HA VAL A 418 -4.567 -1.312 5.440 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.843 -1.066 6.786 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.507 0.925 5.377 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.718 -0.558 4.416 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -3.059 0.602 4.567 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.609 1.179 7.530 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -4.220 0.832 6.858 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.600 -0.128 8.222 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.669 -2.379 3.929 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.843 -3.192 3.087 1.00 0.18 C ATOM 1255 C GLY A 419 -1.539 -2.460 1.823 1.00 0.14 C ATOM 1256 O GLY A 419 -2.438 -2.039 1.112 1.00 0.15 O ATOM 0 H GLY A 419 -2.941 -1.487 3.516 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.917 -3.445 3.604 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.349 -4.131 2.862 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.276 -2.289 1.551 1.00 0.10 N ATOM 1261 CA ILE A 420 0.128 -1.597 0.358 1.00 0.08 C ATOM 1262 C ILE A 420 0.088 -2.546 -0.829 1.00 0.08 C ATOM 1263 O ILE A 420 0.436 -3.725 -0.707 1.00 0.09 O ATOM 1264 CB ILE A 420 1.556 -1.041 0.493 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.595 0.242 1.330 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.151 -0.799 -0.874 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.799 0.011 2.809 1.00 0.29 C ATOM 0 H ILE A 420 0.491 -2.618 2.137 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.563 -0.768 0.205 1.00 0.08 H new ATOM 0 HB ILE A 420 2.153 -1.787 1.017 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.397 0.880 0.959 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.662 0.786 1.184 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.162 -0.406 -0.766 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.184 -1.737 -1.428 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.537 -0.079 -1.416 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.814 0.969 3.328 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.984 -0.599 3.198 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.746 -0.504 2.970 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.341 -2.029 -1.971 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.536 -2.862 -3.142 1.00 0.06 C ATOM 1281 C HIS A 421 -0.547 -2.037 -4.408 1.00 0.07 C ATOM 1282 O HIS A 421 -0.741 -0.827 -4.364 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.860 -3.582 -3.009 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.056 -2.702 -2.972 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.620 -2.096 -4.066 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.803 -2.349 -1.912 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.676 -1.399 -3.640 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.834 -1.522 -2.335 1.00 0.08 N ATOM 0 H HIS A 421 -0.559 -1.042 -2.109 1.00 0.07 H new ATOM 0 HA HIS A 421 0.288 -3.572 -3.205 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.964 -4.275 -3.844 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.840 -4.180 -2.098 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.292 -2.165 -5.029 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.629 -2.660 -0.892 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.318 -0.811 -4.280 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.357 -2.702 -5.537 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.519 -2.059 -6.818 1.00 0.07 C ATOM 1298 C ASP A 422 -1.995 -2.122 -7.179 1.00 0.11 C ATOM 1299 O ASP A 422 -2.670 -3.078 -6.846 1.00 0.20 O ATOM 1300 CB ASP A 422 0.330 -2.748 -7.886 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.433 -3.808 -8.664 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.828 -4.825 -8.055 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.638 -3.630 -9.879 1.00 0.80 O ATOM 0 H ASP A 422 -0.091 -3.685 -5.585 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.185 -1.023 -6.765 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.708 -1.998 -8.581 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.197 -3.208 -7.411 1.00 0.09 H new ATOM 1308 N SER A 423 -2.510 -1.097 -7.803 1.00 0.09 N ATOM 1309 CA SER A 423 -3.942 -1.001 -8.003 1.00 0.11 C ATOM 1310 C SER A 423 -4.247 -0.590 -9.413 1.00 0.14 C ATOM 1311 O SER A 423 -4.229 0.584 -9.759 1.00 0.17 O ATOM 1312 CB SER A 423 -4.551 -0.011 -7.005 1.00 0.14 C ATOM 1313 OG SER A 423 -5.943 0.076 -7.167 1.00 0.23 O ATOM 0 H SER A 423 -1.970 -0.319 -8.181 1.00 0.09 H new ATOM 0 HA SER A 423 -4.387 -1.981 -7.830 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.319 -0.326 -5.988 1.00 0.14 H new ATOM 0 HB3 SER A 423 -4.103 0.973 -7.144 1.00 0.14 H new ATOM 0 HG SER A 423 -6.386 -0.493 -6.503 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.565 -1.585 -10.208 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.793 -1.395 -11.618 1.00 0.21 C ATOM 1321 C ASP A 424 -6.228 -0.937 -11.852 1.00 0.24 C ATOM 1322 O ASP A 424 -6.589 -0.455 -12.922 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.496 -2.701 -12.336 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.662 -2.610 -13.838 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.685 -2.237 -14.524 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.765 -2.921 -14.342 1.00 0.37 O ATOM 0 H ASP A 424 -4.673 -2.549 -9.893 1.00 0.16 H new ATOM 0 HA ASP A 424 -4.135 -0.621 -12.013 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.475 -3.009 -12.108 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -5.157 -3.478 -11.951 1.00 0.24 H new ATOM 1331 N TRP A 425 -7.037 -1.090 -10.809 1.00 0.24 N ATOM 1332 CA TRP A 425 -8.460 -0.785 -10.862 1.00 0.27 C ATOM 1333 C TRP A 425 -8.736 0.662 -10.475 1.00 0.30 C ATOM 1334 O TRP A 425 -9.814 1.193 -10.744 1.00 0.32 O ATOM 1335 CB TRP A 425 -9.222 -1.704 -9.901 1.00 0.25 C ATOM 1336 CG TRP A 425 -8.836 -1.502 -8.459 1.00 0.23 C ATOM 1337 CD1 TRP A 425 -9.177 -0.442 -7.674 1.00 0.25 C ATOM 1338 CD2 TRP A 425 -8.051 -2.375 -7.630 1.00 0.19 C ATOM 1339 NE1 TRP A 425 -8.613 -0.567 -6.431 1.00 0.23 N ATOM 1340 CE2 TRP A 425 -7.947 -1.757 -6.369 1.00 0.19 C ATOM 1341 CE3 TRP A 425 -7.420 -3.610 -7.821 1.00 0.16 C ATOM 1342 CZ2 TRP A 425 -7.251 -2.324 -5.318 1.00 0.17 C ATOM 1343 CZ3 TRP A 425 -6.728 -4.171 -6.771 1.00 0.14 C ATOM 1344 CH2 TRP A 425 -6.654 -3.526 -5.534 1.00 0.15 C ATOM 0 H TRP A 425 -6.722 -1.430 -9.901 1.00 0.24 H new ATOM 0 HA TRP A 425 -8.794 -0.943 -11.888 1.00 0.27 H new ATOM 0 HB2 TRP A 425 -10.292 -1.529 -10.012 1.00 0.25 H new ATOM 0 HB3 TRP A 425 -9.038 -2.742 -10.178 1.00 0.25 H new ATOM 0 HD1 TRP A 425 -9.803 0.380 -7.987 1.00 0.25 H new ATOM 0 HE1 TRP A 425 -8.680 0.116 -5.677 1.00 0.23 H new ATOM 0 HE3 TRP A 425 -7.475 -4.114 -8.775 1.00 0.16 H new ATOM 0 HZ2 TRP A 425 -7.184 -1.830 -4.360 1.00 0.17 H new ATOM 0 HZ3 TRP A 425 -6.236 -5.123 -6.906 1.00 0.14 H new ATOM 0 HH2 TRP A 425 -6.108 -3.995 -4.728 1.00 0.15 H new ATOM 1355 N GLN A 426 -7.771 1.279 -9.821 1.00 0.31 N ATOM 1356 CA GLN A 426 -7.959 2.603 -9.251 1.00 0.33 C ATOM 1357 C GLN A 426 -7.464 3.678 -10.196 1.00 0.36 C ATOM 1358 O GLN A 426 -6.315 3.710 -10.630 1.00 0.39 O ATOM 1359 CB GLN A 426 -7.241 2.693 -7.906 1.00 0.31 C ATOM 1360 CG GLN A 426 -7.858 3.669 -6.924 1.00 0.60 C ATOM 1361 CD GLN A 426 -7.071 4.951 -6.860 1.00 0.72 C ATOM 1362 OE1 GLN A 426 -5.856 4.932 -7.031 1.00 1.74 O ATOM 1363 NE2 GLN A 426 -7.741 6.074 -6.619 1.00 0.53 N ATOM 0 H GLN A 426 -6.843 0.883 -9.670 1.00 0.31 H new ATOM 0 HA GLN A 426 -9.025 2.767 -9.095 1.00 0.33 H new ATOM 0 HB2 GLN A 426 -7.224 1.703 -7.451 1.00 0.31 H new ATOM 0 HB3 GLN A 426 -6.204 2.981 -8.081 1.00 0.31 H new ATOM 0 HG2 GLN A 426 -8.885 3.884 -7.219 1.00 0.60 H new ATOM 0 HG3 GLN A 426 -7.899 3.215 -5.934 1.00 0.60 H new ATOM 0 HE21 GLN A 426 -8.751 6.046 -6.483 1.00 0.53 H new ATOM 0 HE22 GLN A 426 -7.245 6.964 -6.571 1.00 0.53 H new ATOM 1372 N PRO A 427 -8.413 4.537 -10.544 1.00 0.43 N ATOM 1373 CA PRO A 427 -8.332 5.465 -11.676 1.00 0.50 C ATOM 1374 C PRO A 427 -7.279 6.551 -11.517 1.00 0.32 C ATOM 1375 O PRO A 427 -6.545 6.838 -12.465 1.00 0.29 O ATOM 1376 CB PRO A 427 -9.736 6.072 -11.694 1.00 0.73 C ATOM 1377 CG PRO A 427 -10.214 5.955 -10.302 1.00 0.72 C ATOM 1378 CD PRO A 427 -9.687 4.659 -9.824 1.00 0.53 C ATOM 0 HA PRO A 427 -8.034 4.958 -12.594 1.00 0.50 H new ATOM 0 HB2 PRO A 427 -9.713 7.112 -12.019 1.00 0.73 H new ATOM 0 HB3 PRO A 427 -10.390 5.537 -12.383 1.00 0.73 H new ATOM 0 HG2 PRO A 427 -9.850 6.779 -9.689 1.00 0.72 H new ATOM 0 HG3 PRO A 427 -11.303 5.980 -10.255 1.00 0.72 H new ATOM 0 HD2 PRO A 427 -9.542 4.655 -8.744 1.00 0.53 H new ATOM 0 HD3 PRO A 427 -10.363 3.837 -10.058 1.00 0.53 H new ATOM 1386 N GLU A 428 -7.227 7.172 -10.341 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.381 8.316 -10.129 1.00 0.22 C ATOM 1388 C GLU A 428 -5.451 8.101 -8.976 1.00 0.21 C ATOM 1389 O GLU A 428 -5.699 7.302 -8.094 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.226 9.505 -9.761 1.00 0.34 C ATOM 1391 CG GLU A 428 -6.703 10.805 -10.281 1.00 1.11 C ATOM 1392 CD GLU A 428 -6.729 10.888 -11.789 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -7.818 11.123 -12.355 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -5.663 10.725 -12.416 1.00 2.16 O1- ATOM 0 H GLU A 428 -7.769 6.891 -9.524 1.00 0.31 H new ATOM 0 HA GLU A 428 -5.820 8.474 -11.050 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -8.236 9.352 -10.142 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -7.301 9.563 -8.675 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.295 11.621 -9.867 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -5.680 10.945 -9.932 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.449 8.924 -8.959 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.476 8.962 -7.892 1.00 0.14 C ATOM 1403 C TYR A 429 -2.944 10.353 -7.860 1.00 0.17 C ATOM 1404 O TYR A 429 -2.508 10.902 -8.876 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.284 8.009 -8.004 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.571 6.647 -8.581 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.904 6.501 -9.918 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.477 5.512 -7.797 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -3.144 5.262 -10.460 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.718 4.261 -8.331 1.00 0.20 C ATOM 1411 CZ TYR A 429 -3.052 4.146 -9.666 1.00 0.25 C ATOM 1412 OH TYR A 429 -3.280 2.911 -10.217 1.00 0.33 O ATOM 0 H TYR A 429 -4.274 9.605 -9.698 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.002 8.638 -6.994 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.520 8.487 -8.618 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.857 7.877 -7.010 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.976 7.377 -10.545 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.212 5.605 -6.754 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.403 5.166 -11.504 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.646 3.380 -7.710 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.707 2.330 -9.553 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.035 10.928 -6.720 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.603 12.285 -6.550 1.00 0.17 C ATOM 1424 C GLY A 430 -3.080 12.795 -5.248 1.00 0.17 C ATOM 1425 O GLY A 430 -3.337 11.997 -4.353 1.00 0.16 O ATOM 0 H GLY A 430 -3.406 10.487 -5.878 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.515 12.340 -6.598 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -2.989 12.905 -7.359 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.157 14.108 -5.113 1.00 0.19 N ATOM 1430 CA GLY A 431 -3.844 14.679 -3.980 1.00 0.21 C ATOM 1431 C GLY A 431 -5.156 13.992 -3.722 1.00 0.19 C ATOM 1432 O GLY A 431 -5.650 13.213 -4.540 1.00 0.18 O ATOM 0 H GLY A 431 -2.758 14.784 -5.764 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.213 14.602 -3.095 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.017 15.741 -4.157 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.769 14.387 -2.652 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.688 13.538 -1.943 1.00 0.21 C ATOM 1438 C ASP A 432 -7.760 12.905 -2.826 1.00 0.18 C ATOM 1439 O ASP A 432 -8.728 13.524 -3.259 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.322 14.384 -0.847 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.123 15.572 -1.367 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.516 16.523 -1.903 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.369 15.557 -1.252 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.649 15.312 -2.239 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.133 12.692 -1.536 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -7.977 13.752 -0.247 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.537 14.750 -0.185 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.509 11.625 -3.102 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.481 10.721 -3.687 1.00 0.13 C ATOM 1450 C LEU A 433 -9.166 9.942 -2.588 1.00 0.12 C ATOM 1451 O LEU A 433 -10.338 9.662 -2.653 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.838 9.698 -4.622 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.538 10.082 -6.046 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.228 11.331 -6.497 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.083 10.149 -6.231 1.00 1.08 C ATOM 0 H LEU A 433 -6.606 11.186 -2.919 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.179 11.336 -4.255 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.901 9.381 -4.165 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.490 8.825 -4.649 1.00 0.15 H new ATOM 0 HG LEU A 433 -7.949 9.305 -6.691 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -7.961 11.540 -7.533 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.307 11.199 -6.420 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.919 12.165 -5.867 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -5.860 10.427 -7.261 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.664 10.895 -5.555 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -5.643 9.175 -6.014 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.384 9.564 -1.586 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.821 8.641 -0.532 1.00 0.10 C ATOM 1469 C TRP A 434 -10.142 9.051 0.103 1.00 0.11 C ATOM 1470 O TRP A 434 -10.901 8.214 0.577 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.723 8.531 0.527 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.432 9.825 1.194 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.548 10.775 0.792 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.044 10.316 2.377 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.614 11.853 1.632 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.514 11.587 2.619 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.999 9.809 3.251 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.913 12.360 3.690 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.392 10.579 4.314 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.854 11.846 4.525 1.00 0.16 C ATOM 0 H TRP A 434 -7.423 9.887 -1.475 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.995 7.669 -0.993 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -8.022 7.800 1.278 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.812 8.155 0.061 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.892 10.692 -0.062 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.077 12.715 1.535 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.423 8.828 3.095 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.492 13.340 3.859 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.133 10.196 5.001 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.191 12.431 5.368 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.406 10.340 0.107 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.600 10.870 0.720 1.00 0.14 C ATOM 1493 C LYS A 435 -12.754 10.922 -0.254 1.00 0.17 C ATOM 1494 O LYS A 435 -13.914 10.750 0.112 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.303 12.257 1.252 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.944 12.727 0.834 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.585 14.044 1.433 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.207 14.249 2.786 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.820 15.552 3.390 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.801 11.045 -0.313 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.895 10.209 1.535 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.058 12.956 0.890 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.368 12.252 2.340 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.201 11.985 1.125 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.908 12.804 -0.253 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.501 14.117 1.520 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.905 14.843 0.764 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.292 14.200 2.696 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.905 13.439 3.450 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.272 15.651 4.322 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.787 15.590 3.500 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.131 16.328 2.771 1.00 0.22 H new ATOM 1513 N THR A 436 -12.411 11.180 -1.489 1.00 0.16 N ATOM 1514 CA THR A 436 -13.386 11.344 -2.553 1.00 0.19 C ATOM 1515 C THR A 436 -13.715 10.006 -3.199 1.00 0.19 C ATOM 1516 O THR A 436 -14.872 9.679 -3.452 1.00 0.22 O ATOM 1517 CB THR A 436 -12.829 12.318 -3.611 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.001 11.638 -4.563 1.00 0.25 O ATOM 1519 CG2 THR A 436 -11.986 13.353 -2.913 1.00 0.21 C ATOM 0 H THR A 436 -11.443 11.284 -1.794 1.00 0.16 H new ATOM 0 HA THR A 436 -14.304 11.750 -2.128 1.00 0.19 H new ATOM 0 HB THR A 436 -13.669 12.772 -4.136 1.00 0.23 H new ATOM 0 HG1 THR A 436 -11.664 12.281 -5.221 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.584 14.051 -3.648 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.599 13.897 -2.194 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.164 12.862 -2.392 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.672 9.235 -3.435 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.786 7.949 -4.087 1.00 0.20 C ATOM 1529 C ARG A 437 -12.908 6.860 -3.043 1.00 0.20 C ATOM 1530 O ARG A 437 -13.354 5.750 -3.337 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.536 7.734 -4.933 1.00 0.24 C ATOM 1532 CG ARG A 437 -10.995 8.982 -5.504 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.175 8.688 -6.725 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.015 8.309 -7.849 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.096 8.989 -8.991 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.348 10.067 -9.187 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -11.935 8.596 -9.936 1.00 1.47 N ATOM 0 H ARG A 437 -11.717 9.486 -3.178 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.672 7.918 -4.721 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.769 7.260 -4.321 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.769 7.043 -5.743 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.812 9.656 -5.761 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.382 9.493 -4.761 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.585 9.566 -6.989 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.471 7.885 -6.508 1.00 0.40 H new ATOM 0 HE ARG A 437 -11.581 7.465 -7.757 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -9.705 10.381 -8.460 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.416 10.582 -10.065 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -12.519 7.773 -9.789 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -11.998 9.116 -10.811 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.488 7.195 -1.824 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.788 6.386 -0.666 1.00 0.18 C ATOM 1553 C GLY A 438 -12.448 4.915 -0.817 1.00 0.21 C ATOM 1554 O GLY A 438 -13.272 4.061 -0.489 1.00 0.24 O ATOM 0 H GLY A 438 -11.936 8.029 -1.622 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.244 6.785 0.190 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.850 6.478 -0.440 1.00 0.18 H new ATOM 1558 N SER A 439 -11.265 4.582 -1.308 1.00 0.22 N ATOM 1559 CA SER A 439 -11.001 3.190 -1.622 1.00 0.27 C ATOM 1560 C SER A 439 -10.534 2.419 -0.393 1.00 0.27 C ATOM 1561 O SER A 439 -9.420 2.610 0.094 1.00 0.27 O ATOM 1562 CB SER A 439 -9.974 3.087 -2.746 1.00 0.31 C ATOM 1563 OG SER A 439 -10.420 3.800 -3.890 1.00 1.01 O ATOM 0 H SER A 439 -10.499 5.230 -1.492 1.00 0.22 H new ATOM 0 HA SER A 439 -11.935 2.738 -1.957 1.00 0.27 H new ATOM 0 HB2 SER A 439 -9.017 3.487 -2.411 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.810 2.040 -3.003 1.00 0.31 H new ATOM 0 HG SER A 439 -9.751 3.727 -4.602 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.407 1.521 0.062 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.172 0.660 1.223 1.00 0.32 C ATOM 1571 C HIS A 440 -10.454 1.371 2.380 1.00 0.28 C ATOM 1572 O HIS A 440 -10.834 2.479 2.769 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.412 -0.602 0.820 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.218 -1.579 0.028 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.479 -1.980 0.400 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -10.935 -2.243 -1.118 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.939 -2.842 -0.479 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.025 -3.020 -1.414 1.00 0.48 N ATOM 0 H HIS A 440 -12.316 1.368 -0.374 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.159 0.385 1.595 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.537 -0.314 0.238 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.047 -1.096 1.721 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.022 -2.173 -1.691 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.905 -3.324 -0.442 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.115 -3.634 -2.223 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.420 0.730 2.921 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.724 1.275 4.069 1.00 0.22 C ATOM 1589 C GLY A 441 -7.243 1.507 3.830 1.00 0.17 C ATOM 1590 O GLY A 441 -6.618 2.298 4.542 1.00 0.26 O ATOM 0 H GLY A 441 -9.053 -0.159 2.582 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -9.190 2.219 4.351 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.845 0.595 4.913 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.665 0.830 2.838 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.231 0.889 2.640 1.00 0.15 C ATOM 1596 C CYS A 442 -4.821 1.815 1.505 1.00 0.13 C ATOM 1597 O CYS A 442 -5.584 2.667 1.068 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.644 -0.497 2.395 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.241 -1.296 0.890 1.00 0.35 S ATOM 0 H CYS A 442 -7.166 0.244 2.171 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.828 1.299 3.566 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.558 -0.416 2.344 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.876 -1.134 3.248 1.00 0.24 H new ATOM 1604 N ILE A 443 -3.565 1.683 1.100 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.973 2.539 0.087 1.00 0.07 C ATOM 1606 C ILE A 443 -3.110 1.907 -1.286 1.00 0.08 C ATOM 1607 O ILE A 443 -2.792 0.734 -1.476 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.475 2.805 0.387 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.286 3.753 1.581 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.764 3.380 -0.835 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.706 3.193 2.925 1.00 0.11 C ATOM 0 H ILE A 443 -2.928 0.976 1.467 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.506 3.489 0.103 1.00 0.07 H new ATOM 0 HB ILE A 443 -1.033 1.842 0.641 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.235 4.036 1.636 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.852 4.665 1.393 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.285 3.557 -0.596 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.834 2.674 -1.662 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.235 4.321 -1.121 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.532 3.939 3.700 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.765 2.938 2.898 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.123 2.299 3.145 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.591 2.686 -2.235 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.767 2.199 -3.593 1.00 0.08 C ATOM 1625 C ASN A 444 -2.653 2.729 -4.479 1.00 0.07 C ATOM 1626 O ASN A 444 -2.743 3.816 -5.043 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.143 2.576 -4.147 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.259 1.662 -3.665 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.247 1.446 -4.373 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.110 1.092 -2.478 1.00 0.15 N ATOM 0 H ASN A 444 -3.867 3.658 -2.093 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.715 1.110 -3.580 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.374 3.602 -3.859 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.107 2.551 -5.236 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.824 0.454 -2.125 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.282 1.291 -1.917 1.00 0.15 H new ATOM 1637 N THR A 445 -1.588 1.963 -4.540 1.00 0.08 N ATOM 1638 CA THR A 445 -0.415 2.292 -5.298 1.00 0.08 C ATOM 1639 C THR A 445 -0.539 1.895 -6.759 1.00 0.08 C ATOM 1640 O THR A 445 -1.125 0.884 -7.093 1.00 0.10 O ATOM 1641 CB THR A 445 0.765 1.574 -4.654 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.654 1.626 -3.225 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.045 2.207 -5.062 1.00 0.06 C ATOM 0 H THR A 445 -1.517 1.072 -4.049 1.00 0.08 H new ATOM 0 HA THR A 445 -0.275 3.373 -5.286 1.00 0.08 H new ATOM 0 HB THR A 445 0.754 0.536 -4.986 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.523 1.861 -2.838 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.877 1.681 -4.593 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.148 2.154 -6.146 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.051 3.251 -4.747 1.00 0.06 H new ATOM 1651 N PRO A 446 -0.009 2.744 -7.645 1.00 0.08 N ATOM 1652 CA PRO A 446 0.032 2.500 -9.084 1.00 0.10 C ATOM 1653 C PRO A 446 0.556 1.134 -9.437 1.00 0.14 C ATOM 1654 O PRO A 446 1.468 0.609 -8.789 1.00 0.24 O ATOM 1655 CB PRO A 446 0.969 3.586 -9.594 1.00 0.10 C ATOM 1656 CG PRO A 446 0.817 4.692 -8.624 1.00 0.08 C ATOM 1657 CD PRO A 446 0.573 4.046 -7.300 1.00 0.07 C ATOM 0 HA PRO A 446 -0.964 2.529 -9.527 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.000 3.234 -9.636 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.699 3.902 -10.602 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.712 5.313 -8.596 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.013 5.342 -8.900 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.498 3.933 -6.734 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.106 4.637 -6.686 1.00 0.07 H new ATOM 1665 N PRO A 447 0.000 0.556 -10.489 1.00 0.12 N ATOM 1666 CA PRO A 447 0.323 -0.793 -10.901 1.00 0.12 C ATOM 1667 C PRO A 447 1.774 -0.922 -11.362 1.00 0.14 C ATOM 1668 O PRO A 447 2.365 -2.003 -11.326 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.629 -1.040 -12.061 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.696 -0.039 -11.887 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.993 1.160 -11.383 1.00 0.13 C ATOM 0 HA PRO A 447 0.218 -1.509 -10.086 1.00 0.12 H new ATOM 0 HB2 PRO A 447 -0.125 -0.919 -13.020 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -1.029 -2.054 -12.037 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.207 0.166 -12.828 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.453 -0.383 -11.182 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.529 1.732 -12.186 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.663 1.838 -10.855 1.00 0.13 H new ATOM 1679 N SER A 448 2.352 0.201 -11.754 1.00 0.12 N ATOM 1680 CA SER A 448 3.683 0.227 -12.323 1.00 0.11 C ATOM 1681 C SER A 448 4.763 0.215 -11.250 1.00 0.09 C ATOM 1682 O SER A 448 5.904 -0.151 -11.493 1.00 0.09 O ATOM 1683 CB SER A 448 3.824 1.487 -13.155 1.00 0.14 C ATOM 1684 OG SER A 448 3.629 2.647 -12.362 1.00 1.10 O ATOM 0 H SER A 448 1.910 1.118 -11.686 1.00 0.12 H new ATOM 0 HA SER A 448 3.813 -0.667 -12.933 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.814 1.517 -13.611 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.099 1.473 -13.968 1.00 0.14 H new ATOM 0 HG SER A 448 3.727 3.446 -12.921 1.00 1.10 H new ATOM 1690 N VAL A 449 4.406 0.670 -10.072 1.00 0.07 N ATOM 1691 CA VAL A 449 5.388 0.915 -9.033 1.00 0.06 C ATOM 1692 C VAL A 449 5.466 -0.194 -8.027 1.00 0.05 C ATOM 1693 O VAL A 449 6.536 -0.680 -7.723 1.00 0.05 O ATOM 1694 CB VAL A 449 5.092 2.239 -8.354 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.149 3.329 -9.384 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.749 2.191 -7.692 1.00 0.06 C ATOM 0 H VAL A 449 3.444 0.879 -9.806 1.00 0.07 H new ATOM 0 HA VAL A 449 6.366 0.958 -9.513 1.00 0.06 H new ATOM 0 HB VAL A 449 5.834 2.438 -7.580 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.938 4.288 -8.911 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.143 3.356 -9.831 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.408 3.136 -10.159 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.548 3.147 -7.208 1.00 0.06 H new ATOM 0 HG22 VAL A 449 2.981 1.994 -8.440 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.740 1.397 -6.945 1.00 0.06 H new ATOM 1706 N MET A 450 4.352 -0.627 -7.525 1.00 0.05 N ATOM 1707 CA MET A 450 4.375 -1.677 -6.533 1.00 0.05 C ATOM 1708 C MET A 450 4.876 -2.973 -7.146 1.00 0.05 C ATOM 1709 O MET A 450 5.053 -3.970 -6.449 1.00 0.06 O ATOM 1710 CB MET A 450 3.019 -1.834 -5.863 1.00 0.07 C ATOM 1711 CG MET A 450 2.971 -1.327 -4.425 1.00 0.06 C ATOM 1712 SD MET A 450 3.270 -2.617 -3.194 1.00 0.06 S ATOM 1713 CE MET A 450 2.979 -4.088 -4.144 1.00 0.05 C ATOM 0 H MET A 450 3.425 -0.282 -7.775 1.00 0.05 H new ATOM 0 HA MET A 450 5.075 -1.398 -5.746 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.272 -1.300 -6.450 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.740 -2.888 -5.875 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.714 -0.539 -4.301 1.00 0.06 H new ATOM 0 HG3 MET A 450 1.995 -0.878 -4.239 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.881 -4.941 -3.473 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.061 -3.973 -4.721 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.816 -4.255 -4.822 1.00 0.05 H new ATOM 1723 N LYS A 451 5.158 -2.953 -8.430 1.00 0.05 N ATOM 1724 CA LYS A 451 5.764 -4.100 -9.055 1.00 0.05 C ATOM 1725 C LYS A 451 7.254 -4.056 -8.777 1.00 0.05 C ATOM 1726 O LYS A 451 7.901 -5.062 -8.473 1.00 0.06 O ATOM 1727 CB LYS A 451 5.518 -4.078 -10.543 1.00 0.06 C ATOM 1728 CG LYS A 451 6.261 -2.997 -11.184 1.00 0.06 C ATOM 1729 CD LYS A 451 6.053 -2.977 -12.646 1.00 0.08 C ATOM 1730 CE LYS A 451 7.115 -2.137 -13.263 1.00 0.10 C ATOM 1731 NZ LYS A 451 6.782 -1.716 -14.649 1.00 0.92 N1+ ATOM 0 H LYS A 451 4.979 -2.165 -9.052 1.00 0.05 H new ATOM 0 HA LYS A 451 5.330 -5.015 -8.653 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.813 -5.033 -10.977 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.452 -3.955 -10.737 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.951 -2.042 -10.760 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.324 -3.110 -10.970 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.090 -3.990 -13.048 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.068 -2.576 -12.883 1.00 0.08 H new ATOM 0 HE2 LYS A 451 7.275 -1.252 -12.648 1.00 0.10 H new ATOM 0 HE3 LYS A 451 8.053 -2.693 -13.272 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 7.555 -1.134 -15.030 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 6.655 -2.558 -15.247 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 5.902 -1.161 -14.641 1.00 0.92 H new ATOM 1745 N GLU A 452 7.747 -2.817 -8.832 1.00 0.05 N ATOM 1746 CA GLU A 452 9.118 -2.474 -8.667 1.00 0.05 C ATOM 1747 C GLU A 452 9.491 -2.894 -7.308 1.00 0.05 C ATOM 1748 O GLU A 452 10.536 -3.458 -7.043 1.00 0.06 O ATOM 1749 CB GLU A 452 9.197 -0.973 -8.721 1.00 0.05 C ATOM 1750 CG GLU A 452 8.721 -0.397 -10.009 1.00 0.07 C ATOM 1751 CD GLU A 452 9.827 -0.111 -10.999 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.201 -1.030 -11.757 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.326 1.033 -11.029 1.00 0.25 O1- ATOM 0 H GLU A 452 7.155 -2.004 -9.002 1.00 0.05 H new ATOM 0 HA GLU A 452 9.759 -2.933 -9.420 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.605 -0.557 -7.906 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.229 -0.666 -8.555 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.010 -1.087 -10.463 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.182 0.528 -9.805 1.00 0.07 H new ATOM 1760 N LEU A 453 8.579 -2.506 -6.462 1.00 0.04 N ATOM 1761 CA LEU A 453 8.523 -2.856 -5.104 1.00 0.04 C ATOM 1762 C LEU A 453 8.718 -4.307 -4.878 1.00 0.05 C ATOM 1763 O LEU A 453 9.702 -4.698 -4.283 1.00 0.05 O ATOM 1764 CB LEU A 453 7.156 -2.473 -4.624 1.00 0.04 C ATOM 1765 CG LEU A 453 7.150 -1.890 -3.271 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.324 -1.023 -3.121 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.939 -1.084 -3.029 1.00 0.05 C ATOM 0 H LEU A 453 7.811 -1.896 -6.740 1.00 0.04 H new ATOM 0 HA LEU A 453 9.323 -2.343 -4.570 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.722 -1.757 -5.322 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.516 -3.355 -4.634 1.00 0.04 H new ATOM 0 HG LEU A 453 7.169 -2.709 -2.551 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.329 -0.586 -2.122 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.231 -1.610 -3.264 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.286 -0.227 -3.865 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.972 -0.671 -2.021 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.893 -0.270 -3.753 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.056 -1.714 -3.134 1.00 0.05 H new ATOM 1779 N PHE A 454 7.783 -5.096 -5.331 1.00 0.05 N ATOM 1780 CA PHE A 454 7.916 -6.552 -5.238 1.00 0.06 C ATOM 1781 C PHE A 454 9.321 -6.966 -5.688 1.00 0.07 C ATOM 1782 O PHE A 454 9.863 -7.989 -5.263 1.00 0.09 O ATOM 1783 CB PHE A 454 6.837 -7.264 -6.078 1.00 0.07 C ATOM 1784 CG PHE A 454 6.988 -8.772 -6.151 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.916 -9.388 -6.999 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.184 -9.585 -5.362 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.018 -10.765 -7.044 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.291 -10.958 -5.411 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.324 -11.535 -6.317 1.00 0.12 C ATOM 0 H PHE A 454 6.920 -4.773 -5.768 1.00 0.05 H new ATOM 0 HA PHE A 454 7.771 -6.853 -4.201 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.857 -7.030 -5.661 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.858 -6.860 -7.090 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.557 -8.782 -7.623 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.462 -9.133 -4.698 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.724 -11.206 -7.732 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.651 -11.592 -4.815 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.480 -12.603 -6.353 1.00 0.12 H new ATOM 1799 N GLY A 455 9.930 -6.098 -6.492 1.00 0.06 N ATOM 1800 CA GLY A 455 11.219 -6.383 -7.062 1.00 0.08 C ATOM 1801 C GLY A 455 12.347 -5.914 -6.169 1.00 0.08 C ATOM 1802 O GLY A 455 13.451 -6.458 -6.225 1.00 0.13 O ATOM 0 H GLY A 455 9.541 -5.193 -6.756 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.312 -7.456 -7.231 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.301 -5.899 -8.035 1.00 0.08 H new ATOM 1806 N MET A 456 12.087 -4.889 -5.355 1.00 0.06 N ATOM 1807 CA MET A 456 13.082 -4.411 -4.423 1.00 0.05 C ATOM 1808 C MET A 456 12.851 -4.875 -3.018 1.00 0.05 C ATOM 1809 O MET A 456 13.790 -5.257 -2.325 1.00 0.06 O ATOM 1810 CB MET A 456 13.184 -2.915 -4.425 1.00 0.05 C ATOM 1811 CG MET A 456 11.884 -2.232 -4.547 1.00 0.04 C ATOM 1812 SD MET A 456 11.890 -1.031 -5.863 1.00 0.05 S ATOM 1813 CE MET A 456 10.443 -0.182 -5.351 1.00 0.04 C ATOM 0 H MET A 456 11.201 -4.385 -5.330 1.00 0.06 H new ATOM 0 HA MET A 456 14.019 -4.843 -4.776 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.669 -2.592 -3.504 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.826 -2.605 -5.249 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.102 -2.969 -4.731 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.643 -1.739 -3.605 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.628 -0.405 -6.039 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.169 -0.504 -4.346 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.632 0.891 -5.349 1.00 0.04 H new ATOM 1823 N VAL A 457 11.629 -4.811 -2.570 1.00 0.05 N ATOM 1824 CA VAL A 457 11.340 -5.273 -1.245 1.00 0.05 C ATOM 1825 C VAL A 457 11.366 -6.763 -1.181 1.00 0.07 C ATOM 1826 O VAL A 457 11.095 -7.474 -2.151 1.00 0.08 O ATOM 1827 CB VAL A 457 10.035 -4.714 -0.653 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.243 -3.925 -1.668 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.198 -5.817 -0.040 1.00 0.05 C ATOM 0 H VAL A 457 10.831 -4.450 -3.093 1.00 0.05 H new ATOM 0 HA VAL A 457 12.137 -4.877 -0.616 1.00 0.05 H new ATOM 0 HB VAL A 457 10.314 -4.021 0.141 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.330 -3.550 -1.205 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.841 -3.086 -2.024 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.985 -4.569 -2.509 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.282 -5.393 0.371 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.947 -6.551 -0.805 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.762 -6.302 0.757 1.00 0.05 H new ATOM 1839 N GLU A 458 11.742 -7.212 -0.024 1.00 0.08 N ATOM 1840 CA GLU A 458 11.885 -8.592 0.236 1.00 0.10 C ATOM 1841 C GLU A 458 11.036 -8.935 1.428 1.00 0.09 C ATOM 1842 O GLU A 458 10.660 -8.051 2.196 1.00 0.10 O ATOM 1843 CB GLU A 458 13.350 -8.876 0.529 1.00 0.13 C ATOM 1844 CG GLU A 458 14.200 -7.633 0.455 1.00 0.20 C ATOM 1845 CD GLU A 458 15.613 -7.838 0.953 1.00 0.27 C ATOM 1846 OE1 GLU A 458 15.847 -7.661 2.169 1.00 0.46 O ATOM 1847 OE2 GLU A 458 16.499 -8.181 0.141 1.00 0.48 O1- ATOM 0 H GLU A 458 11.959 -6.612 0.772 1.00 0.08 H new ATOM 0 HA GLU A 458 11.568 -9.191 -0.618 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.441 -9.317 1.522 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.724 -9.612 -0.182 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.234 -7.287 -0.578 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.728 -6.844 1.040 1.00 0.20 H new ATOM 1854 N LYS A 459 10.681 -10.201 1.543 1.00 0.11 N ATOM 1855 CA LYS A 459 10.067 -10.688 2.750 1.00 0.13 C ATOM 1856 C LYS A 459 10.957 -10.373 3.912 1.00 0.15 C ATOM 1857 O LYS A 459 11.946 -11.059 4.162 1.00 0.18 O ATOM 1858 CB LYS A 459 9.811 -12.162 2.692 1.00 0.16 C ATOM 1859 CG LYS A 459 8.603 -12.460 1.871 1.00 0.22 C ATOM 1860 CD LYS A 459 8.747 -13.762 1.165 1.00 0.70 C ATOM 1861 CE LYS A 459 8.660 -14.927 2.139 1.00 0.40 C ATOM 1862 NZ LYS A 459 8.761 -16.244 1.461 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.809 -10.903 0.815 1.00 0.11 H new ATOM 0 HA LYS A 459 9.102 -10.194 2.865 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.678 -12.669 2.268 1.00 0.16 H new ATOM 0 HB3 LYS A 459 9.675 -12.552 3.701 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.721 -12.485 2.511 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.447 -11.663 1.144 1.00 0.22 H new ATOM 0 HD2 LYS A 459 7.967 -13.857 0.409 1.00 0.70 H new ATOM 0 HD3 LYS A 459 9.703 -13.792 0.642 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.458 -14.840 2.877 1.00 0.40 H new ATOM 0 HE3 LYS A 459 7.716 -14.873 2.682 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 8.696 -17.004 2.168 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 7.985 -16.342 0.775 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 9.672 -16.310 0.964 1.00 0.99 H new ATOM 1876 N GLY A 460 10.579 -9.341 4.610 1.00 0.15 N ATOM 1877 CA GLY A 460 11.393 -8.849 5.705 1.00 0.19 C ATOM 1878 C GLY A 460 11.566 -7.350 5.656 1.00 0.15 C ATOM 1879 O GLY A 460 12.016 -6.727 6.619 1.00 0.17 O ATOM 0 H GLY A 460 9.717 -8.820 4.448 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.933 -9.129 6.652 1.00 0.19 H new ATOM 0 HA3 GLY A 460 12.372 -9.328 5.672 1.00 0.19 H new ATOM 1883 N THR A 461 11.227 -6.778 4.519 1.00 0.12 N ATOM 1884 CA THR A 461 11.109 -5.358 4.383 1.00 0.07 C ATOM 1885 C THR A 461 9.883 -4.900 5.155 1.00 0.08 C ATOM 1886 O THR A 461 8.936 -5.659 5.324 1.00 0.13 O ATOM 1887 CB THR A 461 10.984 -4.995 2.887 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.209 -5.287 2.200 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.619 -3.541 2.702 1.00 0.05 C ATOM 0 H THR A 461 11.026 -7.296 3.664 1.00 0.12 H new ATOM 0 HA THR A 461 11.991 -4.859 4.783 1.00 0.07 H new ATOM 0 HB THR A 461 10.183 -5.600 2.463 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.399 -4.576 1.553 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.539 -3.318 1.638 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.664 -3.341 3.187 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.391 -2.913 3.147 1.00 0.05 H new ATOM 1897 N PRO A 462 9.894 -3.701 5.711 1.00 0.09 N ATOM 1898 CA PRO A 462 8.766 -3.149 6.372 1.00 0.14 C ATOM 1899 C PRO A 462 8.003 -2.227 5.433 1.00 0.13 C ATOM 1900 O PRO A 462 8.431 -2.003 4.298 1.00 0.18 O ATOM 1901 CB PRO A 462 9.416 -2.402 7.538 1.00 0.18 C ATOM 1902 CG PRO A 462 10.872 -2.315 7.187 1.00 0.13 C ATOM 1903 CD PRO A 462 10.983 -2.749 5.774 1.00 0.09 C ATOM 0 HA PRO A 462 8.025 -3.877 6.703 1.00 0.14 H new ATOM 0 HB2 PRO A 462 8.981 -1.410 7.662 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.269 -2.934 8.478 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.242 -1.298 7.312 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.468 -2.954 7.838 1.00 0.13 H new ATOM 0 HD2 PRO A 462 10.854 -1.923 5.074 1.00 0.09 H new ATOM 0 HD3 PRO A 462 11.948 -3.206 5.554 1.00 0.09 H new ATOM 1911 N VAL A 463 6.901 -1.679 5.873 1.00 0.09 N ATOM 1912 CA VAL A 463 6.227 -0.673 5.078 1.00 0.09 C ATOM 1913 C VAL A 463 5.838 0.480 5.962 1.00 0.08 C ATOM 1914 O VAL A 463 5.714 0.344 7.174 1.00 0.10 O ATOM 1915 CB VAL A 463 4.960 -1.173 4.360 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.187 -2.530 3.723 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.796 -1.179 5.321 1.00 0.54 C ATOM 0 H VAL A 463 6.453 -1.903 6.761 1.00 0.09 H new ATOM 0 HA VAL A 463 6.938 -0.382 4.305 1.00 0.09 H new ATOM 0 HB VAL A 463 4.720 -0.489 3.546 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.274 -2.855 3.224 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.994 -2.459 2.993 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.457 -3.253 4.493 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.902 -1.534 4.808 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.019 -1.839 6.159 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.625 -0.168 5.691 1.00 0.54 H new ATOM 1927 N LEU A 464 5.714 1.621 5.380 1.00 0.07 N ATOM 1928 CA LEU A 464 5.229 2.753 6.085 1.00 0.07 C ATOM 1929 C LEU A 464 4.228 3.471 5.260 1.00 0.07 C ATOM 1930 O LEU A 464 4.226 3.354 4.050 1.00 0.09 O ATOM 1931 CB LEU A 464 6.367 3.673 6.424 1.00 0.10 C ATOM 1932 CG LEU A 464 7.289 3.137 7.464 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.398 2.353 6.820 1.00 0.09 C ATOM 1934 CD2 LEU A 464 7.823 4.278 8.290 1.00 0.13 C ATOM 0 H LEU A 464 5.946 1.795 4.402 1.00 0.07 H new ATOM 0 HA LEU A 464 4.756 2.419 7.008 1.00 0.07 H new ATOM 0 HB2 LEU A 464 6.937 3.878 5.518 1.00 0.10 H new ATOM 0 HB3 LEU A 464 5.962 4.625 6.768 1.00 0.10 H new ATOM 0 HG LEU A 464 6.749 2.458 8.124 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.065 1.966 7.590 1.00 0.09 H new ATOM 0 HD12 LEU A 464 7.976 1.522 6.255 1.00 0.09 H new ATOM 0 HD13 LEU A 464 8.959 3.001 6.147 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.498 3.890 9.053 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.363 4.972 7.646 1.00 0.13 H new ATOM 0 HD23 LEU A 464 6.994 4.799 8.770 1.00 0.13 H new ATOM 1946 N VAL A 465 3.336 4.132 5.937 1.00 0.06 N ATOM 1947 CA VAL A 465 2.512 5.154 5.349 1.00 0.05 C ATOM 1948 C VAL A 465 2.421 6.242 6.386 1.00 0.08 C ATOM 1949 O VAL A 465 2.454 5.918 7.557 1.00 0.10 O ATOM 1950 CB VAL A 465 1.113 4.626 4.925 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.165 3.140 4.654 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.062 4.960 5.931 1.00 0.08 C ATOM 0 H VAL A 465 3.155 3.976 6.929 1.00 0.06 H new ATOM 0 HA VAL A 465 2.948 5.523 4.421 1.00 0.05 H new ATOM 0 HB VAL A 465 0.835 5.132 4.000 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.176 2.789 4.359 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.875 2.941 3.851 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.481 2.616 5.556 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.900 4.572 5.595 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.320 4.510 6.890 1.00 0.08 H new ATOM 0 HG23 VAL A 465 -0.003 6.042 6.044 1.00 0.08 H new ATOM 1962 N PHE A 466 2.437 7.503 5.968 1.00 0.10 N ATOM 1963 CA PHE A 466 2.380 8.641 6.883 1.00 0.15 C ATOM 1964 C PHE A 466 2.437 9.961 6.129 1.00 0.21 C ATOM 1965 O PHE A 466 1.368 10.403 5.662 1.00 1.09 O ATOM 1966 CB PHE A 466 3.476 8.563 7.960 1.00 0.17 C ATOM 1967 CG PHE A 466 4.887 8.354 7.462 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.299 7.120 6.985 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.790 9.401 7.452 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.585 6.940 6.512 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.078 9.221 6.981 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.490 7.944 6.580 1.00 0.30 C ATOM 1973 OXT PHE A 466 3.527 10.550 6.010 1.00 1.06 O ATOM 0 H PHE A 466 2.490 7.767 4.984 1.00 0.10 H new ATOM 0 HA PHE A 466 1.420 8.594 7.397 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.451 9.485 8.542 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.229 7.749 8.642 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.608 6.290 6.983 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.486 10.371 7.816 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.870 5.990 6.084 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.759 10.057 6.923 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.524 7.761 6.327 1.00 0.30 H new TER 1983 PHE A 466 HETATM 1984 C 1RG A 130 -12.583 -5.676 8.104 1.00 2.42 C HETATM 1985 N 1RG A 130 -11.199 -6.569 6.282 1.00 2.70 N HETATM 1986 O 1RG A 130 -12.649 -4.444 8.142 1.00 2.05 O HETATM 1987 CA 1RG A 130 -11.266 -6.361 7.741 1.00 2.68 C HETATM 1988 CB 1RG A 130 -10.092 -5.429 8.044 1.00 2.20 C HETATM 1989 CD 1RG A 130 -10.760 -5.277 5.788 1.00 2.17 C HETATM 1990 CG 1RG A 130 -9.571 -5.006 6.686 1.00 1.53 C HETATM 1991 CAA 1RG A 130 -6.743 -2.007 1.433 1.00 0.28 C HETATM 1992 CAB 1RG A 130 -6.659 -3.493 1.935 1.00 0.19 C HETATM 1993 OAC 1RG A 130 -7.802 -1.397 1.435 1.00 0.43 O HETATM 1994 CAD 1RG A 130 -7.817 -3.751 2.974 1.00 0.25 C HETATM 1995 CAE 1RG A 130 -6.642 -4.500 0.803 1.00 0.15 C HETATM 1996 CAF 1RG A 130 -6.534 -5.924 1.337 1.00 0.11 C HETATM 1997 OAG 1RG A 130 -7.837 -4.370 0.022 1.00 0.20 O HETATM 1998 CAH 1RG A 130 -7.488 -3.338 4.394 1.00 0.33 C HETATM 1999 CAI 1RG A 130 -8.748 -3.145 4.922 1.00 0.37 C HETATM 2000 NAJ 1RG A 130 -9.036 -2.972 2.711 1.00 0.34 N HETATM 2001 SAK 1RG A 130 -9.116 -3.297 6.629 1.00 0.71 S HETATM 2002 CAL 1RG A 130 -9.622 -2.930 3.916 1.00 0.33 C HETATM 2003 CAM 1RG A 130 -10.920 -2.655 4.135 1.00 0.53 C HETATM 2004 CAS 1RG A 130 -6.685 -2.051 4.493 1.00 0.41 C HETATM 2005 OAT 1RG A 130 -11.682 -2.471 3.162 1.00 0.66 O HETATM 2006 OAU 1RG A 130 -11.382 -2.578 5.292 1.00 0.67 O HETATM 2007 NAX 1RG A 130 -13.593 -6.554 8.361 1.00 2.87 N HETATM 2008 CAY 1RG A 130 -14.832 -6.108 8.684 1.00 2.84 C HETATM 2009 CAZ 1RG A 130 -15.825 -7.056 8.915 1.00 3.47 C HETATM 2010 CBA 1RG A 130 -17.118 -6.655 9.238 1.00 3.58 C HETATM 2011 CBB 1RG A 130 -17.422 -5.301 9.331 1.00 3.10 C HETATM 2012 CBC 1RG A 130 -16.439 -4.353 9.105 1.00 2.54 C HETATM 2013 CBD 1RG A 130 -15.151 -4.750 8.784 1.00 2.37 C HETATM 2014 CBE 1RG A 130 -18.106 -7.611 9.458 1.00 4.28 C HETATM 2015 OBF 1RG A 130 -19.288 -7.280 9.679 1.00 4.45 O HETATM 2016 OBG 1RG A 130 -17.835 -8.829 9.437 1.00 4.82 O HETATM 0 HOBF 1RG A 130 -19.835 -8.084 9.804 1.00 4.45 H new HETATM 0 HOAU 1RG A 130 -10.645 -2.526 5.936 1.00 0.67 H new HETATM 0 HOAG 1RG A 130 -7.602 -4.305 -0.927 1.00 0.20 H new HETATM 0 HNAX 1RG A 130 -13.415 -7.557 8.310 1.00 2.87 H new HETATM 0 HNAJ 1RG A 130 -9.356 -2.565 1.832 1.00 0.34 H new HETATM 0 HASB 1RG A 130 -5.739 -2.171 3.966 1.00 0.41 H new HETATM 0 HASA 1RG A 130 -7.250 -1.234 4.043 1.00 0.41 H new HETATM 0 HAFB 1RG A 130 -5.613 -6.029 1.910 1.00 0.11 H new HETATM 0 HAFA 1RG A 130 -7.388 -6.137 1.980 1.00 0.11 H new HETATM 0 HN 1RG A 130 -11.410 -7.414 5.751 1.00 2.70 H new HETATM 0 HG 1RG A 130 -8.661 -5.536 6.403 1.00 1.53 H new HETATM 0 HDA 1RG A 130 -10.481 -5.313 4.735 1.00 2.17 H new HETATM 0 HD 1RG A 130 -11.533 -4.515 5.887 1.00 2.17 H new HETATM 0 HBD 1RG A 130 -14.381 -3.999 8.608 1.00 2.37 H new HETATM 0 HBC 1RG A 130 -16.679 -3.292 9.180 1.00 2.54 H new HETATM 0 HBB 1RG A 130 -18.435 -4.986 9.582 1.00 3.10 H new HETATM 0 HBA 1RG A 130 -10.412 -4.568 8.630 1.00 2.20 H new HETATM 0 HB 1RG A 130 -9.321 -5.939 8.622 1.00 2.20 H new HETATM 0 HAZ 1RG A 130 -15.589 -8.118 8.843 1.00 3.47 H new HETATM 0 HAS 1RG A 130 -6.490 -1.823 5.541 1.00 0.41 H new HETATM 0 HAH 1RG A 130 -6.866 -4.076 4.900 1.00 0.33 H new HETATM 0 HAF 1RG A 130 -6.524 -6.626 0.503 1.00 0.11 H new HETATM 0 HAE 1RG A 130 -5.770 -4.299 0.181 1.00 0.15 H new HETATM 0 HAD 1RG A 130 -7.953 -4.827 2.863 1.00 0.25 H new HETATM 0 HAB 1RG A 130 -5.703 -3.638 2.437 1.00 0.19 H new HETATM 0 HA 1RG A 130 -11.216 -7.293 8.304 1.00 2.68 H new