USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 421 HIS : no HE2:sc= -5.98! C(o=-16!,f=-18!) USER MOD Set 1.2: A 426 GLN : amide:sc= -5.15! C(o=-16!,f=-22!) USER MOD Set 1.3: A 439 SER OG : rot -60:sc= -0.819 USER MOD Set 1.4: A 442 CYS SG : rot 180:sc= -0.363 USER MOD Set 1.5: A 444 ASN : amide:sc= -4.17! C(o=-16!,f=-24!) USER MOD Set 2.1: A 372 LYS NZ :NH3+ -172:sc= 1.23 (180deg=0.871) USER MOD Set 2.2: A 374 THR OG1 : rot -159:sc= -0.328! USER MOD Set 2.3: A 375 THR OG1 : rot 60:sc= 0.32 USER MOD Set 2.4: A 440 HIS : no HD1:sc= -0.0473 K(o=1.2,f=-0.24) USER MOD Set 3.1: A 411 MET CE :methyl -174:sc= -8.45! (180deg=-8.82!) USER MOD Set 3.2: A 450 MET CE :methyl 149:sc= -2.65 (180deg=-5.37!) USER MOD Set 4.1: A 370 SER OG : rot 49:sc= 0.0574 USER MOD Set 4.2: A 377 THR OG1 : rot -125:sc= 0.602 USER MOD Set 5.1: A 354 MET CE :methyl -164:sc= -6.32! (180deg=-6.98!) USER MOD Set 5.2: A 445 THR OG1 : rot -160:sc= 0.71 USER MOD Single : A 339 HIS :FLIP no HD1:sc= -0.41 F(o=-1.4,f=-0.41) USER MOD Single : A 340 MET CE :methyl -165:sc= -0.181 (180deg=-0.892) USER MOD Single : A 343 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 TYR OH : rot 99:sc= 1.24 USER MOD Single : A 351 ASN : amide:sc= -0.321 X(o=-0.32,f=0) USER MOD Single : A 352 GLN : amide:sc= -7.62! C(o=-7.6!,f=-11!) USER MOD Single : A 353 HIS :FLIP no HE2:sc= -3.18! C(o=-3.9!,f=-3.2!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 43:sc= 0.05 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 80:sc= -1.18 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN :FLIP amide:sc= -0.653 F(o=-2.2,f=-0.65) 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= 0.0425 USER MOD Single : A 397 ASN :FLIP amide:sc= -0.935 F(o=-3.6!,f=-0.93) USER MOD Single : A 401 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 403 TYR OH : rot 30:sc= -0.993 USER MOD Single : A 405 SER OG : rot -101:sc= 0.563 USER MOD Single : A 408 ASN :FLIP amide:sc= -0.954 F(o=-2.3,f=-0.95) USER MOD Single : A 409 TYR OH : rot 30:sc= 0 USER MOD Single : A 416 THR OG1 : rot -86:sc= 1.11 USER MOD Single : A 423 SER OG : rot 23:sc= -1.57! USER MOD Single : A 429 TYR OH : rot 110:sc=-0.00286 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -37:sc= 0.402 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 173:sc= -4.84! (180deg=-4.86!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 338 -16.107 -12.496 6.125 1.00 3.94 N ATOM 2 CA GLY A 338 -15.570 -11.287 5.456 1.00 3.08 C ATOM 3 C GLY A 338 -14.915 -10.345 6.439 1.00 2.42 C ATOM 4 O GLY A 338 -15.483 -10.052 7.491 1.00 2.77 O ATOM 0 HA2 GLY A 338 -14.845 -11.583 4.698 1.00 3.08 H new ATOM 0 HA3 GLY A 338 -16.378 -10.769 4.939 1.00 3.08 H new ATOM 10 N HIS A 339 -13.722 -9.871 6.104 1.00 1.85 N ATOM 11 CA HIS A 339 -12.975 -8.986 6.987 1.00 1.24 C ATOM 12 C HIS A 339 -13.602 -7.602 7.009 1.00 1.07 C ATOM 13 O HIS A 339 -13.357 -6.780 6.134 1.00 1.60 O ATOM 14 CB HIS A 339 -11.516 -8.910 6.554 1.00 1.08 C ATOM 15 CG HIS A 339 -10.584 -8.232 7.517 1.00 0.56 C ATOM 16 ND1 HIS A 339 -10.769 -7.192 8.363 1.00 0.65 N flip ATOM 17 CD2 HIS A 339 -9.262 -8.596 7.651 1.00 1.00 C flip ATOM 18 CE1 HIS A 339 -9.568 -6.948 8.984 1.00 1.30 C flip ATOM 19 NE2 HIS A 339 -8.676 -7.812 8.533 1.00 1.60 N flip ATOM 0 H HIS A 339 -13.250 -10.085 5.225 1.00 1.85 H new ATOM 0 HA HIS A 339 -13.012 -9.393 7.997 1.00 1.24 H new ATOM 0 HB2 HIS A 339 -11.155 -9.924 6.380 1.00 1.08 H new ATOM 0 HB3 HIS A 339 -11.467 -8.386 5.599 1.00 1.08 H new ATOM 0 HD2 HIS A 339 -8.780 -9.400 7.115 1.00 1.00 H new ATOM 0 HE1 HIS A 339 -9.384 -6.178 9.719 1.00 1.30 H new ATOM 0 HE2 HIS A 339 -7.698 -7.863 8.819 1.00 1.60 H new ATOM 28 N MET A 340 -14.388 -7.372 8.051 1.00 0.83 N ATOM 29 CA MET A 340 -15.135 -6.132 8.244 1.00 0.69 C ATOM 30 C MET A 340 -16.157 -5.907 7.140 1.00 0.64 C ATOM 31 O MET A 340 -16.371 -6.764 6.285 1.00 0.83 O ATOM 32 CB MET A 340 -14.187 -4.942 8.356 1.00 0.61 C ATOM 33 CG MET A 340 -13.618 -4.767 9.736 1.00 0.72 C ATOM 34 SD MET A 340 -12.723 -3.219 9.939 1.00 1.03 S ATOM 35 CE MET A 340 -11.642 -3.319 8.525 1.00 0.58 C ATOM 0 H MET A 340 -14.529 -8.051 8.799 1.00 0.83 H new ATOM 0 HA MET A 340 -15.685 -6.226 9.180 1.00 0.69 H new ATOM 0 HB2 MET A 340 -13.370 -5.069 7.646 1.00 0.61 H new ATOM 0 HB3 MET A 340 -14.719 -4.034 8.071 1.00 0.61 H new ATOM 0 HG2 MET A 340 -14.428 -4.810 10.465 1.00 0.72 H new ATOM 0 HG3 MET A 340 -12.948 -5.599 9.955 1.00 0.72 H new ATOM 0 HE1 MET A 340 -10.839 -2.590 8.629 1.00 0.58 H new ATOM 0 HE2 MET A 340 -11.217 -4.321 8.462 1.00 0.58 H new ATOM 0 HE3 MET A 340 -12.209 -3.108 7.618 1.00 0.58 H new ATOM 45 N GLU A 341 -16.814 -4.768 7.205 1.00 0.56 N ATOM 46 CA GLU A 341 -17.849 -4.402 6.253 1.00 0.57 C ATOM 47 C GLU A 341 -17.708 -2.942 5.843 1.00 0.46 C ATOM 48 O GLU A 341 -18.440 -2.447 4.985 1.00 0.49 O ATOM 49 CB GLU A 341 -19.224 -4.624 6.860 1.00 0.73 C ATOM 50 CG GLU A 341 -19.443 -3.769 8.087 1.00 0.76 C ATOM 51 CD GLU A 341 -20.801 -3.970 8.718 1.00 0.97 C ATOM 52 OE1 GLU A 341 -20.954 -4.912 9.526 1.00 1.08 O1- ATOM 53 OE2 GLU A 341 -21.727 -3.194 8.402 1.00 1.10 O ATOM 0 H GLU A 341 -16.646 -4.064 7.923 1.00 0.56 H new ATOM 0 HA GLU A 341 -17.736 -5.032 5.371 1.00 0.57 H new ATOM 0 HB2 GLU A 341 -19.989 -4.397 6.118 1.00 0.73 H new ATOM 0 HB3 GLU A 341 -19.339 -5.675 7.125 1.00 0.73 H new ATOM 0 HG2 GLU A 341 -18.671 -3.995 8.822 1.00 0.76 H new ATOM 0 HG3 GLU A 341 -19.327 -2.720 7.816 1.00 0.76 H new ATOM 60 N ASP A 342 -16.778 -2.272 6.483 1.00 0.38 N ATOM 61 CA ASP A 342 -16.443 -0.882 6.186 1.00 0.32 C ATOM 62 C ASP A 342 -16.082 -0.645 4.737 1.00 0.25 C ATOM 63 O ASP A 342 -15.939 -1.560 3.921 1.00 0.27 O ATOM 64 CB ASP A 342 -15.263 -0.385 6.993 1.00 0.34 C ATOM 65 CG ASP A 342 -15.585 -0.079 8.437 1.00 0.62 C ATOM 66 OD1 ASP A 342 -16.342 0.878 8.690 1.00 0.98 O1- ATOM 67 OD2 ASP A 342 -15.077 -0.786 9.330 1.00 0.79 O ATOM 0 H ASP A 342 -16.220 -2.675 7.236 1.00 0.38 H new ATOM 0 HA ASP A 342 -17.355 -0.343 6.442 1.00 0.32 H new ATOM 0 HB2 ASP A 342 -14.473 -1.135 6.960 1.00 0.34 H new ATOM 0 HB3 ASP A 342 -14.868 0.515 6.522 1.00 0.34 H new ATOM 72 N THR A 343 -16.048 0.620 4.424 1.00 0.23 N ATOM 73 CA THR A 343 -15.443 1.092 3.221 1.00 0.19 C ATOM 74 C THR A 343 -14.006 1.440 3.556 1.00 0.13 C ATOM 75 O THR A 343 -13.753 2.273 4.424 1.00 0.16 O ATOM 76 CB THR A 343 -16.170 2.348 2.734 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.587 2.173 2.880 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.849 2.620 1.290 1.00 0.20 C ATOM 0 H THR A 343 -16.445 1.357 5.007 1.00 0.23 H new ATOM 0 HA THR A 343 -15.494 0.336 2.437 1.00 0.19 H new ATOM 0 HB THR A 343 -15.838 3.195 3.335 1.00 0.24 H new ATOM 0 HG1 THR A 343 -18.050 2.979 2.569 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.375 3.517 0.963 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.775 2.768 1.178 1.00 0.20 H new ATOM 0 HG23 THR A 343 -16.164 1.772 0.681 1.00 0.20 H new ATOM 86 N TYR A 344 -13.083 0.811 2.868 1.00 0.10 N ATOM 87 CA TYR A 344 -11.676 0.947 3.156 1.00 0.07 C ATOM 88 C TYR A 344 -10.841 0.572 1.963 1.00 0.06 C ATOM 89 O TYR A 344 -11.342 0.385 0.864 1.00 0.08 O ATOM 90 CB TYR A 344 -11.263 0.035 4.304 1.00 0.08 C ATOM 91 CG TYR A 344 -11.824 -1.364 4.247 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.157 -2.390 3.597 1.00 0.14 C ATOM 93 CD2 TYR A 344 -13.027 -1.651 4.849 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.684 -3.663 3.550 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.566 -2.916 4.808 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.893 -3.920 4.155 1.00 0.25 C ATOM 97 OH TYR A 344 -13.433 -5.181 4.099 1.00 0.32 O ATOM 0 H TYR A 344 -13.289 0.187 2.088 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.511 1.991 3.421 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.175 -0.028 4.324 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.573 0.495 5.242 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.209 -2.189 3.120 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.560 -0.866 5.365 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.152 -4.453 3.042 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.513 -3.119 5.286 1.00 0.25 H new ATOM 0 HH TYR A 344 -13.236 -5.658 4.932 1.00 0.32 H new ATOM 107 N ILE A 345 -9.550 0.491 2.199 1.00 0.05 N ATOM 108 CA ILE A 345 -8.653 -0.108 1.252 1.00 0.05 C ATOM 109 C ILE A 345 -8.250 -1.470 1.784 1.00 0.05 C ATOM 110 O ILE A 345 -8.400 -1.709 2.970 1.00 0.08 O ATOM 111 CB ILE A 345 -7.389 0.728 1.020 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.711 2.202 0.975 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.769 0.306 -0.290 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.690 2.509 -0.097 1.00 0.07 C ATOM 0 H ILE A 345 -9.101 0.837 3.047 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.171 -0.180 0.296 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.696 0.560 1.845 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.112 2.518 1.938 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.796 2.771 0.809 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.868 0.891 -0.471 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.512 -0.752 -0.247 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.479 0.474 -1.100 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -8.900 3.579 -0.102 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.277 2.216 -1.062 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.613 1.959 0.085 1.00 0.07 H new ATOM 126 N GLU A 346 -7.747 -2.359 0.945 1.00 0.05 N ATOM 127 CA GLU A 346 -7.344 -3.677 1.425 1.00 0.05 C ATOM 128 C GLU A 346 -6.103 -4.145 0.732 1.00 0.05 C ATOM 129 O GLU A 346 -5.766 -3.681 -0.332 1.00 0.06 O ATOM 130 CB GLU A 346 -8.458 -4.688 1.215 1.00 0.06 C ATOM 131 CG GLU A 346 -8.643 -5.570 2.397 1.00 0.07 C ATOM 132 CD GLU A 346 -9.641 -6.693 2.190 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.369 -7.605 1.380 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.692 -6.683 2.862 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.608 -2.201 -0.053 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.137 -3.591 2.492 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.390 -4.162 1.006 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.233 -5.298 0.340 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.679 -6.002 2.667 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -8.968 -4.962 3.241 1.00 0.07 H new ATOM 141 N VAL A 347 -5.398 -5.018 1.401 1.00 0.05 N ATOM 142 CA VAL A 347 -4.156 -5.560 0.925 1.00 0.05 C ATOM 143 C VAL A 347 -3.967 -6.951 1.462 1.00 0.07 C ATOM 144 O VAL A 347 -4.192 -7.215 2.640 1.00 0.08 O ATOM 145 CB VAL A 347 -2.972 -4.727 1.413 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.673 -5.431 1.084 1.00 0.06 C ATOM 147 CG2 VAL A 347 -2.988 -3.344 0.819 1.00 0.06 C ATOM 0 H VAL A 347 -5.679 -5.379 2.313 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.195 -5.557 -0.164 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.056 -4.621 2.495 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.834 -4.830 1.435 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.652 -6.404 1.574 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.596 -5.566 0.005 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.132 -2.780 1.188 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -2.936 -3.414 -0.267 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -3.908 -2.835 1.106 1.00 0.06 H new ATOM 157 N ASP A 348 -3.531 -7.813 0.595 1.00 0.08 N ATOM 158 CA ASP A 348 -3.166 -9.151 0.970 1.00 0.11 C ATOM 159 C ASP A 348 -1.704 -9.336 0.672 1.00 0.15 C ATOM 160 O ASP A 348 -1.297 -9.300 -0.486 1.00 0.24 O ATOM 161 CB ASP A 348 -4.042 -10.143 0.220 1.00 0.14 C ATOM 162 CG ASP A 348 -3.783 -11.606 0.536 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.614 -11.955 0.813 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.728 -12.415 0.526 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.417 -7.610 -0.398 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.325 -9.325 2.034 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.086 -9.920 0.441 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.902 -9.989 -0.850 1.00 0.14 H new ATOM 169 N LEU A 349 -0.917 -9.457 1.710 1.00 0.13 N ATOM 170 CA LEU A 349 0.517 -9.559 1.570 1.00 0.14 C ATOM 171 C LEU A 349 0.880 -10.829 0.843 1.00 0.20 C ATOM 172 O LEU A 349 1.617 -10.844 -0.136 1.00 0.32 O ATOM 173 CB LEU A 349 1.169 -9.532 2.953 1.00 0.16 C ATOM 174 CG LEU A 349 1.001 -8.246 3.749 1.00 0.14 C ATOM 175 CD1 LEU A 349 1.059 -7.043 2.858 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.287 -8.246 4.507 1.00 0.12 C ATOM 0 H LEU A 349 -1.248 -9.488 2.674 1.00 0.13 H new ATOM 0 HA LEU A 349 0.882 -8.713 0.988 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.761 -10.355 3.540 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.235 -9.724 2.833 1.00 0.16 H new ATOM 0 HG LEU A 349 1.828 -8.197 4.457 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.936 -6.141 3.457 1.00 0.14 H new ATOM 0 HD12 LEU A 349 2.023 -7.013 2.350 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.261 -7.099 2.118 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.380 -7.315 5.066 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.120 -8.335 3.809 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.302 -9.088 5.199 1.00 0.12 H new ATOM 188 N GLU A 350 0.283 -11.884 1.346 1.00 0.20 N ATOM 189 CA GLU A 350 0.486 -13.230 0.866 1.00 0.24 C ATOM 190 C GLU A 350 0.259 -13.346 -0.624 1.00 0.22 C ATOM 191 O GLU A 350 1.089 -13.862 -1.358 1.00 0.31 O ATOM 192 CB GLU A 350 -0.481 -14.121 1.581 1.00 0.31 C ATOM 193 CG GLU A 350 -0.045 -14.472 2.978 1.00 0.41 C ATOM 194 CD GLU A 350 0.926 -15.633 3.020 1.00 0.84 C ATOM 195 OE1 GLU A 350 2.105 -15.447 2.649 1.00 0.96 O1- ATOM 196 OE2 GLU A 350 0.511 -16.740 3.419 1.00 1.51 O ATOM 0 H GLU A 350 -0.376 -11.827 2.123 1.00 0.20 H new ATOM 0 HA GLU A 350 1.519 -13.517 1.060 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.453 -13.630 1.624 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.612 -15.038 1.007 1.00 0.31 H new ATOM 0 HG2 GLU A 350 0.420 -13.600 3.438 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -0.923 -14.718 3.576 1.00 0.41 H new ATOM 203 N ASN A 351 -0.920 -12.913 -1.041 1.00 0.18 N ATOM 204 CA ASN A 351 -1.362 -13.084 -2.412 1.00 0.19 C ATOM 205 C ASN A 351 -1.047 -11.849 -3.212 1.00 0.21 C ATOM 206 O ASN A 351 -1.416 -11.720 -4.380 1.00 0.35 O ATOM 207 CB ASN A 351 -2.864 -13.380 -2.475 1.00 0.27 C ATOM 208 CG ASN A 351 -3.224 -14.726 -1.884 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.218 -15.748 -2.571 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.556 -14.734 -0.607 1.00 0.39 N ATOM 0 H ASN A 351 -1.593 -12.436 -0.441 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.830 -13.935 -2.837 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.406 -12.598 -1.943 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.193 -13.345 -3.514 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.820 -15.609 -0.154 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.548 -13.865 -0.073 1.00 0.39 H new ATOM 217 N GLN A 352 -0.370 -10.934 -2.502 1.00 0.12 N ATOM 218 CA GLN A 352 0.106 -9.666 -3.043 1.00 0.11 C ATOM 219 C GLN A 352 -0.963 -8.944 -3.841 1.00 0.11 C ATOM 220 O GLN A 352 -0.802 -8.698 -5.027 1.00 0.18 O ATOM 221 CB GLN A 352 1.322 -9.892 -3.912 1.00 0.18 C ATOM 222 CG GLN A 352 2.538 -10.432 -3.170 1.00 0.30 C ATOM 223 CD GLN A 352 3.357 -9.354 -2.506 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.349 -8.891 -3.060 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.958 -8.954 -1.313 1.00 1.92 N ATOM 0 H GLN A 352 -0.137 -11.064 -1.517 1.00 0.12 H new ATOM 0 HA GLN A 352 0.370 -9.035 -2.194 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.059 -10.588 -4.708 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.592 -8.950 -4.389 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.207 -11.145 -2.415 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.169 -10.979 -3.870 1.00 0.30 H new ATOM 0 HE21 GLN A 352 2.127 -9.366 -0.889 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.481 -8.233 -0.816 1.00 1.92 H new ATOM 234 N HIS A 353 -2.013 -8.540 -3.172 1.00 0.07 N ATOM 235 CA HIS A 353 -3.147 -7.920 -3.851 1.00 0.07 C ATOM 236 C HIS A 353 -3.769 -6.852 -2.959 1.00 0.06 C ATOM 237 O HIS A 353 -4.118 -7.108 -1.821 1.00 0.07 O ATOM 238 CB HIS A 353 -4.194 -8.980 -4.177 1.00 0.08 C ATOM 239 CG HIS A 353 -5.075 -8.627 -5.341 1.00 0.09 C ATOM 240 ND1 HIS A 353 -6.254 -7.979 -5.376 1.00 0.11 N flip ATOM 241 CD2 HIS A 353 -4.787 -8.950 -6.647 1.00 0.12 C flip ATOM 242 CE1 HIS A 353 -6.666 -7.922 -6.681 1.00 0.13 C flip ATOM 243 NE2 HIS A 353 -5.759 -8.509 -7.426 1.00 0.13 N flip ATOM 0 H HIS A 353 -2.116 -8.624 -2.161 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.796 -7.458 -4.774 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.689 -9.922 -4.389 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.818 -9.143 -3.298 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -6.753 -7.598 -4.572 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -3.907 -9.479 -6.982 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -7.581 -7.471 -7.036 1.00 0.13 H new ATOM 252 N MET A 354 -3.864 -5.654 -3.480 1.00 0.05 N ATOM 253 CA MET A 354 -4.440 -4.535 -2.781 1.00 0.05 C ATOM 254 C MET A 354 -5.761 -4.134 -3.415 1.00 0.04 C ATOM 255 O MET A 354 -5.854 -3.921 -4.619 1.00 0.05 O ATOM 256 CB MET A 354 -3.454 -3.385 -2.814 1.00 0.05 C ATOM 257 CG MET A 354 -3.959 -2.184 -2.064 1.00 0.06 C ATOM 258 SD MET A 354 -3.697 -0.644 -2.918 1.00 0.06 S ATOM 259 CE MET A 354 -4.654 -1.031 -4.347 1.00 0.06 C ATOM 0 H MET A 354 -3.537 -5.426 -4.419 1.00 0.05 H new ATOM 0 HA MET A 354 -4.643 -4.810 -1.746 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.506 -3.708 -2.383 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.256 -3.108 -3.849 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.025 -2.307 -1.874 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.466 -2.139 -1.093 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.411 -0.333 -5.148 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.430 -2.047 -4.671 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.714 -0.953 -4.107 1.00 0.06 H new ATOM 269 N TRP A 355 -6.771 -4.052 -2.571 1.00 0.05 N ATOM 270 CA TRP A 355 -8.128 -3.756 -2.977 1.00 0.05 C ATOM 271 C TRP A 355 -8.574 -2.410 -2.495 1.00 0.05 C ATOM 272 O TRP A 355 -7.906 -1.779 -1.707 1.00 0.05 O ATOM 273 CB TRP A 355 -9.110 -4.755 -2.408 1.00 0.06 C ATOM 274 CG TRP A 355 -8.981 -6.121 -2.945 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.587 -6.601 -4.049 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.224 -7.187 -2.388 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.242 -7.904 -4.243 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.404 -8.299 -3.222 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.406 -7.305 -1.268 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.788 -9.525 -2.963 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.799 -8.506 -1.014 1.00 0.09 C ATOM 282 CH2 TRP A 355 -6.989 -9.608 -1.856 1.00 0.10 C ATOM 0 H TRP A 355 -6.668 -4.192 -1.566 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.117 -3.793 -4.066 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -8.984 -4.791 -1.326 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.122 -4.398 -2.599 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.250 -6.035 -4.687 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.553 -8.491 -5.017 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.252 -6.463 -0.610 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.937 -10.375 -3.612 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.162 -8.605 -0.148 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.496 -10.541 -1.627 1.00 0.10 H new ATOM 293 N TYR A 356 -9.742 -2.018 -2.942 1.00 0.06 N ATOM 294 CA TYR A 356 -10.455 -0.919 -2.340 1.00 0.06 C ATOM 295 C TYR A 356 -11.818 -1.430 -2.023 1.00 0.06 C ATOM 296 O TYR A 356 -12.531 -1.864 -2.897 1.00 0.07 O ATOM 297 CB TYR A 356 -10.525 0.278 -3.258 1.00 0.06 C ATOM 298 CG TYR A 356 -11.346 1.435 -2.674 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.699 1.306 -2.452 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.760 2.643 -2.316 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.435 2.328 -1.896 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.494 3.670 -1.755 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.841 3.567 -1.687 1.00 0.13 C ATOM 304 OH TYR A 356 -13.575 4.515 -0.986 1.00 0.20 O ATOM 0 H TYR A 356 -10.223 -2.450 -3.731 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.940 -0.574 -1.443 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.514 0.627 -3.468 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -10.962 -0.026 -4.209 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.193 0.384 -2.720 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.702 2.783 -2.481 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.468 2.168 -1.624 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -10.996 4.549 -1.373 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.051 5.339 -0.904 1.00 0.20 H new ATOM 314 N TYR A 357 -12.156 -1.448 -0.773 1.00 0.09 N ATOM 315 CA TYR A 357 -13.436 -1.956 -0.390 1.00 0.11 C ATOM 316 C TYR A 357 -14.415 -0.858 -0.125 1.00 0.12 C ATOM 317 O TYR A 357 -14.167 0.065 0.634 1.00 0.14 O ATOM 318 CB TYR A 357 -13.369 -2.877 0.816 1.00 0.12 C ATOM 319 CG TYR A 357 -12.962 -4.278 0.474 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.655 -4.579 0.115 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.882 -5.300 0.527 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.286 -5.873 -0.188 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.525 -6.589 0.235 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.195 -6.851 -0.193 1.00 0.14 C ATOM 325 OH TYR A 357 -11.871 -8.172 -0.418 1.00 0.18 O ATOM 0 H TYR A 357 -11.570 -1.120 -0.005 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.781 -2.542 -1.242 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.662 -2.467 1.538 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.344 -2.898 1.302 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.918 -3.790 0.072 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.903 -5.082 0.804 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.256 -6.096 -0.423 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.241 -7.392 0.328 1.00 0.16 H new ATOM 0 HH TYR A 357 -11.053 -8.397 0.073 1.00 0.18 H new ATOM 335 N LYS A 358 -15.528 -1.003 -0.764 1.00 0.12 N ATOM 336 CA LYS A 358 -16.643 -0.172 -0.610 1.00 0.14 C ATOM 337 C LYS A 358 -17.869 -0.991 -0.831 1.00 0.17 C ATOM 338 O LYS A 358 -17.921 -1.845 -1.711 1.00 0.19 O ATOM 339 CB LYS A 358 -16.576 0.968 -1.551 1.00 0.18 C ATOM 340 CG LYS A 358 -17.875 1.562 -1.756 1.00 0.24 C ATOM 341 CD LYS A 358 -17.704 3.014 -1.808 1.00 0.28 C ATOM 342 CE LYS A 358 -17.287 3.411 -3.181 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.687 4.796 -3.539 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.677 -1.750 -1.442 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.665 0.247 0.396 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.888 1.720 -1.165 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.175 0.629 -2.506 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.319 1.197 -2.682 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.552 1.287 -0.947 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.636 3.511 -1.540 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -16.955 3.330 -1.082 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.204 3.320 -3.265 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.722 2.717 -3.900 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -17.368 5.011 -4.505 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.722 4.882 -3.489 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.251 5.466 -2.874 1.00 0.47 H new ATOM 357 N ASP A 359 -18.826 -0.742 0.034 1.00 0.23 N ATOM 358 CA ASP A 359 -20.109 -1.397 0.000 1.00 0.30 C ATOM 359 C ASP A 359 -19.935 -2.827 0.408 1.00 0.27 C ATOM 360 O ASP A 359 -20.821 -3.670 0.264 1.00 0.33 O ATOM 361 CB ASP A 359 -20.716 -1.289 -1.383 1.00 0.34 C ATOM 362 CG ASP A 359 -22.222 -1.140 -1.347 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.709 0.007 -1.278 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.930 -2.169 -1.398 1.00 0.60 O ATOM 0 H ASP A 359 -18.731 -0.067 0.793 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.793 -0.912 0.697 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.282 -0.433 -1.901 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.456 -2.176 -1.960 1.00 0.34 H new ATOM 369 N GLY A 360 -18.762 -3.054 0.978 1.00 0.22 N ATOM 370 CA GLY A 360 -18.390 -4.346 1.444 1.00 0.21 C ATOM 371 C GLY A 360 -17.879 -5.216 0.331 1.00 0.19 C ATOM 372 O GLY A 360 -17.748 -6.432 0.454 1.00 0.23 O ATOM 0 H GLY A 360 -18.053 -2.335 1.123 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.621 -4.248 2.211 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.250 -4.824 1.913 1.00 0.21 H new ATOM 376 N LYS A 361 -17.576 -4.539 -0.735 1.00 0.16 N ATOM 377 CA LYS A 361 -17.248 -5.098 -2.007 1.00 0.17 C ATOM 378 C LYS A 361 -16.027 -4.345 -2.490 1.00 0.13 C ATOM 379 O LYS A 361 -15.640 -3.374 -1.852 1.00 0.15 O ATOM 380 CB LYS A 361 -18.485 -4.865 -2.868 1.00 0.22 C ATOM 381 CG LYS A 361 -18.254 -4.547 -4.314 1.00 0.32 C ATOM 382 CD LYS A 361 -18.467 -5.739 -5.208 1.00 0.55 C ATOM 383 CE LYS A 361 -17.776 -6.945 -4.664 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.829 -8.111 -5.587 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.550 -3.519 -0.737 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.009 -6.161 -2.014 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.110 -5.756 -2.812 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.056 -4.047 -2.428 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.926 -3.744 -4.618 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.237 -4.177 -4.443 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.534 -5.939 -5.305 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.092 -5.520 -6.208 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.734 -6.698 -4.458 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.232 -7.220 -3.713 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.334 -8.918 -5.156 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.821 -8.369 -5.764 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.370 -7.863 -6.486 1.00 0.68 H new ATOM 398 N VAL A 362 -15.389 -4.741 -3.564 1.00 0.10 N ATOM 399 CA VAL A 362 -14.244 -3.973 -3.963 1.00 0.09 C ATOM 400 C VAL A 362 -14.538 -3.087 -5.108 1.00 0.09 C ATOM 401 O VAL A 362 -15.233 -3.405 -6.074 1.00 0.11 O ATOM 402 CB VAL A 362 -12.942 -4.732 -4.232 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.676 -5.760 -3.178 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.891 -5.320 -5.609 1.00 0.52 C ATOM 0 H VAL A 362 -15.626 -5.544 -4.147 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.048 -3.395 -3.060 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.138 -3.997 -4.183 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.744 -6.278 -3.402 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.595 -5.273 -2.206 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.495 -6.479 -3.156 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -11.946 -5.847 -5.745 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.718 -6.019 -5.737 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -12.972 -4.523 -6.348 1.00 0.52 H new ATOM 414 N ALA A 363 -13.997 -1.949 -4.910 1.00 0.09 N ATOM 415 CA ALA A 363 -14.018 -0.882 -5.814 1.00 0.10 C ATOM 416 C ALA A 363 -12.788 -0.947 -6.654 1.00 0.10 C ATOM 417 O ALA A 363 -12.739 -0.452 -7.778 1.00 0.12 O ATOM 418 CB ALA A 363 -13.991 0.357 -4.993 1.00 0.11 C ATOM 0 H ALA A 363 -13.494 -1.729 -4.050 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.894 -0.910 -6.462 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.006 1.228 -5.648 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.863 0.380 -4.340 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.084 0.373 -4.388 1.00 0.11 H new ATOM 424 N LEU A 364 -11.783 -1.579 -6.080 1.00 0.08 N ATOM 425 CA LEU A 364 -10.498 -1.606 -6.678 1.00 0.07 C ATOM 426 C LEU A 364 -9.780 -2.862 -6.245 1.00 0.06 C ATOM 427 O LEU A 364 -10.094 -3.433 -5.203 1.00 0.08 O ATOM 428 CB LEU A 364 -9.706 -0.360 -6.316 1.00 0.06 C ATOM 429 CG LEU A 364 -8.748 0.052 -7.406 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.434 0.877 -8.458 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.562 0.800 -6.889 1.00 0.06 C ATOM 0 H LEU A 364 -11.851 -2.079 -5.194 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.601 -1.614 -7.763 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.396 0.459 -6.114 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.149 -0.542 -5.397 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.391 -0.878 -7.847 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.715 1.157 -9.228 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.239 0.296 -8.908 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.846 1.777 -8.003 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.910 1.069 -7.721 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.896 1.705 -6.382 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.014 0.172 -6.187 1.00 0.06 H new ATOM 443 N GLU A 365 -8.849 -3.296 -7.060 1.00 0.07 N ATOM 444 CA GLU A 365 -8.128 -4.550 -6.846 1.00 0.07 C ATOM 445 C GLU A 365 -6.919 -4.586 -7.727 1.00 0.07 C ATOM 446 O GLU A 365 -7.035 -4.475 -8.945 1.00 0.09 O ATOM 447 CB GLU A 365 -8.955 -5.780 -7.186 1.00 0.09 C ATOM 448 CG GLU A 365 -10.280 -5.465 -7.836 1.00 0.22 C ATOM 449 CD GLU A 365 -10.601 -6.380 -8.995 1.00 0.26 C ATOM 450 OE1 GLU A 365 -10.658 -7.610 -8.794 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.798 -5.868 -10.118 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.561 -2.793 -7.899 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.875 -4.577 -5.786 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.378 -6.421 -7.852 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.135 -6.348 -6.274 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.071 -5.541 -7.090 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.270 -4.433 -8.187 1.00 0.22 H new ATOM 458 N THR A 366 -5.769 -4.729 -7.135 1.00 0.06 N ATOM 459 CA THR A 366 -4.584 -4.882 -7.908 1.00 0.06 C ATOM 460 C THR A 366 -3.567 -5.743 -7.219 1.00 0.06 C ATOM 461 O THR A 366 -3.671 -6.065 -6.046 1.00 0.07 O ATOM 462 CB THR A 366 -4.010 -3.516 -8.249 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.776 -3.642 -8.951 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.815 -2.730 -6.985 1.00 0.07 C ATOM 0 H THR A 366 -5.633 -4.742 -6.124 1.00 0.06 H new ATOM 0 HA THR A 366 -4.849 -5.395 -8.832 1.00 0.06 H new ATOM 0 HB THR A 366 -4.710 -2.991 -8.899 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.955 -3.840 -9.894 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.403 -1.750 -7.226 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.774 -2.607 -6.481 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.126 -3.261 -6.329 1.00 0.07 H new ATOM 472 N ASP A 367 -2.603 -6.103 -7.997 1.00 0.07 N ATOM 473 CA ASP A 367 -1.480 -6.862 -7.585 1.00 0.10 C ATOM 474 C ASP A 367 -0.457 -5.901 -7.062 1.00 0.10 C ATOM 475 O ASP A 367 -0.326 -4.789 -7.575 1.00 0.11 O ATOM 476 CB ASP A 367 -0.966 -7.629 -8.789 1.00 0.15 C ATOM 477 CG ASP A 367 -0.991 -6.828 -10.083 1.00 1.14 C ATOM 478 OD1 ASP A 367 -2.075 -6.601 -10.643 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.091 -6.397 -10.538 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.580 -5.861 -8.988 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.724 -7.579 -6.801 1.00 0.10 H new ATOM 0 HB2 ASP A 367 0.056 -7.953 -8.593 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.567 -8.529 -8.918 1.00 0.15 H new ATOM 484 N ILE A 368 0.187 -6.295 -5.991 1.00 0.09 N ATOM 485 CA ILE A 368 1.140 -5.443 -5.314 1.00 0.09 C ATOM 486 C ILE A 368 2.327 -6.220 -4.798 1.00 0.09 C ATOM 487 O ILE A 368 2.486 -7.401 -5.082 1.00 0.11 O ATOM 488 CB ILE A 368 0.497 -4.722 -4.138 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.180 -5.749 -3.244 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.472 -3.667 -4.632 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.596 -6.062 -1.991 1.00 0.11 C ATOM 0 H ILE A 368 0.067 -7.213 -5.563 1.00 0.09 H new ATOM 0 HA ILE A 368 1.479 -4.720 -6.056 1.00 0.09 H new ATOM 0 HB ILE A 368 1.256 -4.203 -3.553 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.168 -5.382 -2.967 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.328 -6.669 -3.809 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.924 -3.160 -3.779 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.062 -2.941 -5.245 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.252 -4.140 -5.228 1.00 0.08 H new ATOM 0 HD11 ILE A 368 0.053 -6.802 -1.402 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.575 -6.459 -2.259 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.722 -5.152 -1.404 1.00 0.11 H new ATOM 503 N VAL A 369 3.141 -5.536 -4.020 1.00 0.09 N ATOM 504 CA VAL A 369 4.298 -6.131 -3.385 1.00 0.09 C ATOM 505 C VAL A 369 4.696 -5.289 -2.178 1.00 0.09 C ATOM 506 O VAL A 369 4.976 -4.098 -2.294 1.00 0.11 O ATOM 507 CB VAL A 369 5.468 -6.353 -4.385 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.386 -5.417 -5.558 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.821 -6.224 -3.721 1.00 0.12 C ATOM 0 H VAL A 369 3.017 -4.546 -3.810 1.00 0.09 H new ATOM 0 HA VAL A 369 4.037 -7.129 -3.032 1.00 0.09 H new ATOM 0 HB VAL A 369 5.363 -7.376 -4.747 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.221 -5.605 -6.232 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.448 -5.580 -6.088 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.429 -4.387 -5.205 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.606 -6.387 -4.460 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.924 -5.225 -3.297 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.909 -6.966 -2.928 1.00 0.12 H new ATOM 519 N SER A 370 4.612 -5.914 -1.013 1.00 0.09 N ATOM 520 CA SER A 370 4.705 -5.215 0.257 1.00 0.10 C ATOM 521 C SER A 370 5.453 -6.017 1.310 1.00 0.10 C ATOM 522 O SER A 370 5.326 -7.235 1.371 1.00 0.10 O ATOM 523 CB SER A 370 3.312 -4.958 0.767 1.00 0.12 C ATOM 524 OG SER A 370 3.336 -4.582 2.123 1.00 0.70 O ATOM 0 H SER A 370 4.477 -6.921 -0.923 1.00 0.09 H new ATOM 0 HA SER A 370 5.254 -4.290 0.084 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.843 -4.172 0.176 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.704 -5.855 0.645 1.00 0.12 H new ATOM 0 HG SER A 370 4.002 -3.875 2.255 1.00 0.70 H new ATOM 530 N GLY A 371 6.167 -5.313 2.174 1.00 0.09 N ATOM 531 CA GLY A 371 6.583 -5.901 3.425 1.00 0.10 C ATOM 532 C GLY A 371 7.655 -6.982 3.354 1.00 0.11 C ATOM 533 O GLY A 371 7.470 -8.022 3.973 1.00 0.13 O ATOM 0 H GLY A 371 6.464 -4.348 2.030 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.948 -5.102 4.071 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.704 -6.326 3.910 1.00 0.10 H new ATOM 537 N LYS A 372 8.737 -6.775 2.590 1.00 0.11 N ATOM 538 CA LYS A 372 9.749 -7.795 2.371 1.00 0.14 C ATOM 539 C LYS A 372 10.138 -8.450 3.680 1.00 0.16 C ATOM 540 O LYS A 372 10.177 -7.800 4.710 1.00 0.19 O ATOM 541 CB LYS A 372 10.963 -7.158 1.735 1.00 0.17 C ATOM 542 CG LYS A 372 11.587 -6.065 2.552 1.00 0.22 C ATOM 543 CD LYS A 372 13.030 -6.342 2.696 1.00 0.30 C ATOM 544 CE LYS A 372 13.884 -5.204 2.193 1.00 0.47 C ATOM 545 NZ LYS A 372 15.343 -5.509 2.261 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.927 -5.895 2.111 1.00 0.11 H new ATOM 0 HA LYS A 372 9.345 -8.562 1.711 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.710 -7.930 1.552 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.679 -6.753 0.764 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.435 -5.100 2.070 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.114 -6.010 3.532 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.259 -6.529 3.745 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.280 -7.251 2.148 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.611 -4.978 1.162 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.675 -4.310 2.781 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.888 -4.653 2.034 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.586 -5.830 3.220 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.574 -6.257 1.576 1.00 0.48 H new ATOM 559 N PRO A 373 10.417 -9.746 3.617 1.00 0.18 N ATOM 560 CA PRO A 373 10.664 -10.631 4.766 1.00 0.20 C ATOM 561 C PRO A 373 11.430 -10.019 5.949 1.00 0.20 C ATOM 562 O PRO A 373 11.238 -10.427 7.096 1.00 0.22 O ATOM 563 CB PRO A 373 11.472 -11.711 4.096 1.00 0.23 C ATOM 564 CG PRO A 373 10.742 -11.895 2.831 1.00 0.22 C ATOM 565 CD PRO A 373 10.510 -10.497 2.362 1.00 0.19 C ATOM 0 HA PRO A 373 9.737 -10.933 5.253 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.505 -11.405 3.931 1.00 0.23 H new ATOM 0 HB3 PRO A 373 11.501 -12.626 4.688 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.324 -12.470 2.111 1.00 0.22 H new ATOM 0 HG3 PRO A 373 9.804 -12.430 2.982 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.327 -10.139 1.736 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.597 -10.414 1.772 1.00 0.19 H new ATOM 573 N THR A 374 12.288 -9.052 5.674 1.00 0.20 N ATOM 574 CA THR A 374 13.087 -8.411 6.701 1.00 0.23 C ATOM 575 C THR A 374 12.325 -7.246 7.334 1.00 0.20 C ATOM 576 O THR A 374 12.476 -6.947 8.522 1.00 0.23 O ATOM 577 CB THR A 374 14.385 -7.879 6.086 1.00 0.28 C ATOM 578 OG1 THR A 374 14.197 -6.546 5.603 1.00 0.28 O ATOM 579 CG2 THR A 374 14.810 -8.755 4.928 1.00 0.30 C ATOM 0 H THR A 374 12.449 -8.690 4.734 1.00 0.20 H new ATOM 0 HA THR A 374 13.310 -9.150 7.471 1.00 0.23 H new ATOM 0 HB THR A 374 15.154 -7.885 6.859 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.888 -6.338 4.940 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.734 -8.367 4.498 1.00 0.30 H new ATOM 0 HG22 THR A 374 14.974 -9.773 5.283 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.029 -8.757 4.168 1.00 0.30 H new ATOM 587 N THR A 375 11.492 -6.603 6.528 1.00 0.18 N ATOM 588 CA THR A 375 10.719 -5.461 6.970 1.00 0.18 C ATOM 589 C THR A 375 9.303 -5.549 6.418 1.00 0.14 C ATOM 590 O THR A 375 8.897 -4.798 5.528 1.00 0.13 O ATOM 591 CB THR A 375 11.362 -4.132 6.552 1.00 0.23 C ATOM 592 OG1 THR A 375 12.786 -4.191 6.732 1.00 0.30 O ATOM 593 CG2 THR A 375 10.787 -2.997 7.376 1.00 0.27 C ATOM 0 H THR A 375 11.336 -6.860 5.553 1.00 0.18 H new ATOM 0 HA THR A 375 10.693 -5.484 8.059 1.00 0.18 H new ATOM 0 HB THR A 375 11.146 -3.955 5.498 1.00 0.23 H new ATOM 0 HG1 THR A 375 13.155 -4.919 6.189 1.00 0.30 H new ATOM 0 HG21 THR A 375 11.249 -2.057 7.073 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.710 -2.940 7.216 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.988 -3.176 8.432 1.00 0.27 H new ATOM 601 N PRO A 376 8.565 -6.502 6.961 1.00 0.13 N ATOM 602 CA PRO A 376 7.211 -6.857 6.551 1.00 0.11 C ATOM 603 C PRO A 376 6.156 -5.850 6.946 1.00 0.11 C ATOM 604 O PRO A 376 6.362 -4.977 7.796 1.00 0.15 O ATOM 605 CB PRO A 376 6.951 -8.160 7.295 1.00 0.14 C ATOM 606 CG PRO A 376 8.276 -8.608 7.727 1.00 0.16 C ATOM 607 CD PRO A 376 9.027 -7.369 8.016 1.00 0.15 C ATOM 0 HA PRO A 376 7.148 -6.914 5.464 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.288 -8.005 8.146 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.474 -8.897 6.649 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.209 -9.243 8.610 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.767 -9.194 6.950 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.797 -6.971 9.004 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.105 -7.524 7.977 1.00 0.15 H new ATOM 615 N THR A 377 5.024 -5.998 6.288 1.00 0.08 N ATOM 616 CA THR A 377 3.836 -5.247 6.582 1.00 0.08 C ATOM 617 C THR A 377 3.179 -5.774 7.852 1.00 0.08 C ATOM 618 O THR A 377 3.279 -6.950 8.185 1.00 0.11 O ATOM 619 CB THR A 377 2.847 -5.371 5.418 1.00 0.09 C ATOM 620 OG1 THR A 377 3.455 -6.134 4.365 1.00 0.12 O ATOM 621 CG2 THR A 377 2.435 -4.017 4.889 1.00 0.11 C ATOM 0 H THR A 377 4.909 -6.659 5.520 1.00 0.08 H new ATOM 0 HA THR A 377 4.110 -4.202 6.726 1.00 0.08 H new ATOM 0 HB THR A 377 1.951 -5.873 5.783 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.435 -5.617 3.533 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.734 -4.146 4.065 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.958 -3.445 5.685 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.316 -3.481 4.535 1.00 0.11 H new ATOM 629 N PRO A 378 2.463 -4.886 8.528 1.00 0.07 N ATOM 630 CA PRO A 378 1.896 -5.106 9.854 1.00 0.07 C ATOM 631 C PRO A 378 0.614 -5.926 9.841 1.00 0.07 C ATOM 632 O PRO A 378 0.480 -6.878 10.611 1.00 0.09 O ATOM 633 CB PRO A 378 1.582 -3.693 10.340 1.00 0.08 C ATOM 634 CG PRO A 378 1.894 -2.764 9.218 1.00 0.09 C ATOM 635 CD PRO A 378 2.124 -3.581 8.009 1.00 0.08 C ATOM 0 HA PRO A 378 2.587 -5.669 10.482 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.534 -3.609 10.629 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.176 -3.447 11.220 1.00 0.08 H new ATOM 0 HG2 PRO A 378 1.071 -2.068 9.058 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.776 -2.167 9.450 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.235 -3.621 7.379 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.929 -3.173 7.399 1.00 0.08 H new ATOM 643 N ALA A 379 -0.323 -5.535 8.978 1.00 0.06 N ATOM 644 CA ALA A 379 -1.618 -6.187 8.862 1.00 0.07 C ATOM 645 C ALA A 379 -2.515 -5.978 10.072 1.00 0.07 C ATOM 646 O ALA A 379 -2.160 -6.291 11.210 1.00 0.09 O ATOM 647 CB ALA A 379 -1.434 -7.639 8.519 1.00 0.08 C ATOM 0 H ALA A 379 -0.200 -4.751 8.337 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.153 -5.706 8.043 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.409 -8.119 8.434 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -0.904 -7.724 7.571 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.856 -8.128 9.303 1.00 0.08 H new ATOM 653 N GLY A 380 -3.692 -5.428 9.790 1.00 0.08 N ATOM 654 CA GLY A 380 -4.655 -5.119 10.818 1.00 0.10 C ATOM 655 C GLY A 380 -5.728 -4.193 10.311 1.00 0.10 C ATOM 656 O GLY A 380 -6.399 -4.490 9.326 1.00 0.11 O ATOM 0 H GLY A 380 -3.995 -5.189 8.846 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.110 -6.041 11.180 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.148 -4.659 11.666 1.00 0.10 H new ATOM 660 N VAL A 381 -5.866 -3.064 10.974 1.00 0.11 N ATOM 661 CA VAL A 381 -6.829 -2.061 10.598 1.00 0.12 C ATOM 662 C VAL A 381 -6.135 -0.710 10.497 1.00 0.12 C ATOM 663 O VAL A 381 -5.725 -0.109 11.490 1.00 0.21 O ATOM 664 CB VAL A 381 -8.002 -2.032 11.591 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.561 -1.673 13.004 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.111 -1.108 11.100 1.00 0.87 C ATOM 0 H VAL A 381 -5.309 -2.819 11.792 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.249 -2.305 9.622 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.402 -3.045 11.641 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.428 -1.667 13.665 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.840 -2.410 13.358 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.099 -0.686 13.001 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.929 -1.106 11.821 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.720 -0.096 10.991 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.478 -1.460 10.136 1.00 0.87 H new ATOM 676 N PHE A 382 -5.963 -0.263 9.280 1.00 0.10 N ATOM 677 CA PHE A 382 -5.152 0.891 8.993 1.00 0.10 C ATOM 678 C PHE A 382 -6.030 2.040 8.539 1.00 0.09 C ATOM 679 O PHE A 382 -7.173 1.819 8.155 1.00 0.11 O ATOM 680 CB PHE A 382 -4.214 0.495 7.871 1.00 0.16 C ATOM 681 CG PHE A 382 -3.286 -0.613 8.229 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.124 -0.374 8.938 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.589 -1.907 7.847 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.280 -1.413 9.254 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.754 -2.943 8.163 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.599 -2.699 8.865 1.00 0.10 C ATOM 0 H PHE A 382 -6.384 -0.692 8.456 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.601 1.212 9.877 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.804 0.197 7.004 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.629 1.365 7.574 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.878 0.632 9.245 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.495 -2.102 7.293 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.370 -1.224 9.805 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.002 -3.950 7.861 1.00 0.08 H new ATOM 0 HZ PHE A 382 -0.938 -3.516 9.114 1.00 0.10 H new ATOM 696 N TYR A 383 -5.513 3.259 8.586 1.00 0.08 N ATOM 697 CA TYR A 383 -6.260 4.419 8.100 1.00 0.09 C ATOM 698 C TYR A 383 -5.335 5.462 7.536 1.00 0.09 C ATOM 699 O TYR A 383 -4.334 5.804 8.164 1.00 0.11 O ATOM 700 CB TYR A 383 -7.086 5.099 9.185 1.00 0.12 C ATOM 701 CG TYR A 383 -8.070 4.207 9.913 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.275 3.831 9.332 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.794 3.751 11.194 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.172 3.028 10.007 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.685 2.944 11.873 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.872 2.587 11.276 1.00 0.54 C ATOM 707 OH TYR A 383 -10.766 1.789 11.951 1.00 0.69 O ATOM 0 H TYR A 383 -4.586 3.474 8.952 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.927 4.022 7.335 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.405 5.532 9.917 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.636 5.925 8.734 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.514 4.173 8.336 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.866 4.032 11.668 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.105 2.747 9.542 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.451 2.595 12.868 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.403 1.564 12.833 1.00 0.69 H new ATOM 717 N VAL A 384 -5.692 6.013 6.394 1.00 0.09 N ATOM 718 CA VAL A 384 -4.895 7.063 5.812 1.00 0.10 C ATOM 719 C VAL A 384 -5.060 8.360 6.585 1.00 0.11 C ATOM 720 O VAL A 384 -6.174 8.838 6.815 1.00 0.13 O ATOM 721 CB VAL A 384 -5.192 7.278 4.307 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.640 7.001 3.988 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.835 8.685 3.879 1.00 0.14 C ATOM 0 H VAL A 384 -6.520 5.752 5.858 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.856 6.742 5.884 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.573 6.572 3.752 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.815 7.161 2.924 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.878 5.968 4.244 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.275 7.673 4.565 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.053 8.809 2.818 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.421 9.401 4.456 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.773 8.860 4.054 1.00 0.14 H new ATOM 733 N TRP A 385 -3.936 8.913 7.002 1.00 0.12 N ATOM 734 CA TRP A 385 -3.940 10.137 7.773 1.00 0.14 C ATOM 735 C TRP A 385 -3.402 11.301 6.977 1.00 0.16 C ATOM 736 O TRP A 385 -3.303 12.423 7.473 1.00 0.19 O ATOM 737 CB TRP A 385 -3.136 9.982 9.040 1.00 0.16 C ATOM 738 CG TRP A 385 -1.807 9.338 8.834 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.554 8.008 8.746 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.552 10.001 8.700 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.205 7.798 8.580 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.431 9.010 8.550 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.169 11.337 8.697 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.781 9.319 8.400 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.161 11.647 8.547 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.128 10.642 8.401 1.00 0.17 C ATOM 0 H TRP A 385 -3.008 8.531 6.818 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.979 10.344 8.030 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -2.988 10.965 9.488 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.710 9.390 9.753 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.301 7.230 8.799 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.248 6.888 8.493 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.905 12.119 8.811 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.525 8.544 8.287 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.467 12.683 8.541 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.166 10.918 8.287 1.00 0.17 H new ATOM 757 N ASN A 386 -3.076 11.030 5.737 1.00 0.16 N ATOM 758 CA ASN A 386 -2.576 12.051 4.841 1.00 0.21 C ATOM 759 C ASN A 386 -2.621 11.575 3.405 1.00 0.20 C ATOM 760 O ASN A 386 -2.472 10.395 3.120 1.00 0.18 O ATOM 761 CB ASN A 386 -1.153 12.459 5.197 1.00 0.24 C ATOM 762 CG ASN A 386 -0.750 13.711 4.464 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.186 13.529 3.291 1.00 0.41 O flip ATOM 764 ND2 ASN A 386 -0.947 14.826 4.940 1.00 0.31 N flip ATOM 0 H ASN A 386 -3.148 10.102 5.319 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.223 12.921 4.952 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -1.076 12.622 6.272 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.466 11.650 4.947 1.00 0.24 H new ATOM 0 HD21 ASN A 386 -1.388 14.919 5.855 1.00 0.31 H new ATOM 0 HD22 ASN A 386 -0.669 15.659 4.420 1.00 0.31 H new ATOM 771 N LYS A 387 -2.861 12.505 2.518 1.00 0.22 N ATOM 772 CA LYS A 387 -2.741 12.275 1.103 1.00 0.22 C ATOM 773 C LYS A 387 -1.516 12.974 0.591 1.00 0.19 C ATOM 774 O LYS A 387 -1.449 14.202 0.542 1.00 0.24 O ATOM 775 CB LYS A 387 -3.942 12.799 0.377 1.00 0.32 C ATOM 776 CG LYS A 387 -5.133 11.908 0.425 1.00 1.09 C ATOM 777 CD LYS A 387 -6.357 12.774 0.370 1.00 0.96 C ATOM 778 CE LYS A 387 -6.296 13.726 -0.795 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.580 13.812 -1.536 1.00 0.67 N1+ ATOM 0 H LYS A 387 -3.148 13.453 2.761 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.665 11.202 0.929 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.212 13.767 0.799 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.674 12.970 -0.666 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -5.121 11.210 -0.412 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -5.128 11.312 1.338 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.245 12.148 0.286 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.450 13.337 1.299 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -6.023 14.718 -0.434 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.508 13.407 -1.478 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.481 14.481 -2.326 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.831 12.873 -1.906 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.329 14.143 -0.895 1.00 0.67 H new ATOM 793 N GLU A 388 -0.552 12.196 0.237 1.00 0.18 N ATOM 794 CA GLU A 388 0.685 12.713 -0.248 1.00 0.18 C ATOM 795 C GLU A 388 0.831 12.491 -1.720 1.00 0.23 C ATOM 796 O GLU A 388 0.801 11.387 -2.220 1.00 0.38 O ATOM 797 CB GLU A 388 1.825 12.103 0.517 1.00 0.16 C ATOM 798 CG GLU A 388 2.508 13.123 1.376 1.00 0.16 C ATOM 799 CD GLU A 388 3.631 12.550 2.211 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.358 12.054 3.323 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.790 12.584 1.753 1.00 0.32 O ATOM 0 H GLU A 388 -0.598 11.178 0.275 1.00 0.18 H new ATOM 0 HA GLU A 388 0.698 13.791 -0.090 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.454 11.289 1.140 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.543 11.670 -0.179 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.905 13.915 0.741 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.772 13.583 2.036 1.00 0.16 H new ATOM 808 N GLU A 389 0.955 13.576 -2.403 1.00 0.17 N ATOM 809 CA GLU A 389 1.107 13.565 -3.810 1.00 0.19 C ATOM 810 C GLU A 389 2.437 14.113 -4.206 1.00 0.21 C ATOM 811 O GLU A 389 2.959 15.075 -3.634 1.00 0.26 O ATOM 812 CB GLU A 389 0.013 14.347 -4.470 1.00 0.21 C ATOM 813 CG GLU A 389 -1.264 13.587 -4.590 1.00 0.30 C ATOM 814 CD GLU A 389 -2.169 14.154 -5.660 1.00 1.06 C ATOM 815 OE1 GLU A 389 -1.737 14.228 -6.830 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.307 14.557 -5.336 1.00 1.18 O ATOM 0 H GLU A 389 0.953 14.509 -1.990 1.00 0.17 H new ATOM 0 HA GLU A 389 1.045 12.529 -4.143 1.00 0.19 H new ATOM 0 HB2 GLU A 389 -0.167 15.259 -3.901 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.342 14.651 -5.464 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.044 12.544 -4.818 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.784 13.601 -3.632 1.00 0.30 H new ATOM 823 N ASP A 390 2.941 13.450 -5.232 1.00 0.20 N ATOM 824 CA ASP A 390 4.257 13.692 -5.796 1.00 0.19 C ATOM 825 C ASP A 390 5.264 13.550 -4.684 1.00 0.21 C ATOM 826 O ASP A 390 6.371 14.079 -4.720 1.00 0.40 O ATOM 827 CB ASP A 390 4.311 15.067 -6.441 1.00 0.24 C ATOM 828 CG ASP A 390 5.597 15.333 -7.202 1.00 0.26 C ATOM 829 OD1 ASP A 390 5.829 14.669 -8.236 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.373 16.215 -6.780 1.00 0.36 O ATOM 0 H ASP A 390 2.431 12.707 -5.709 1.00 0.20 H new ATOM 0 HA ASP A 390 4.484 12.971 -6.582 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.467 15.172 -7.123 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.193 15.826 -5.668 1.00 0.24 H new ATOM 835 N ALA A 391 4.854 12.745 -3.725 1.00 0.15 N ATOM 836 CA ALA A 391 5.483 12.662 -2.444 1.00 0.16 C ATOM 837 C ALA A 391 6.671 11.753 -2.450 1.00 0.15 C ATOM 838 O ALA A 391 6.933 11.007 -3.394 1.00 0.16 O ATOM 839 CB ALA A 391 4.470 12.187 -1.422 1.00 0.16 C ATOM 0 H ALA A 391 4.054 12.120 -3.828 1.00 0.15 H new ATOM 0 HA ALA A 391 5.845 13.657 -2.184 1.00 0.16 H new ATOM 0 HB1 ALA A 391 4.944 12.122 -0.443 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.640 12.892 -1.377 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.096 11.205 -1.710 1.00 0.16 H new ATOM 845 N THR A 392 7.370 11.833 -1.366 1.00 0.16 N ATOM 846 CA THR A 392 8.584 11.119 -1.193 1.00 0.17 C ATOM 847 C THR A 392 8.506 10.292 0.057 1.00 0.16 C ATOM 848 O THR A 392 8.575 10.788 1.185 1.00 0.18 O ATOM 849 CB THR A 392 9.789 12.046 -1.114 1.00 0.20 C ATOM 850 OG1 THR A 392 9.955 12.748 -2.354 1.00 0.27 O ATOM 851 CG2 THR A 392 11.041 11.237 -0.787 1.00 0.22 C ATOM 0 H THR A 392 7.106 12.407 -0.565 1.00 0.16 H new ATOM 0 HA THR A 392 8.717 10.478 -2.065 1.00 0.17 H new ATOM 0 HB THR A 392 9.626 12.778 -0.323 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.732 13.343 -2.292 1.00 0.27 H new ATOM 0 HG21 THR A 392 11.901 11.904 -0.731 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.909 10.734 0.171 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.208 10.494 -1.567 1.00 0.22 H new ATOM 859 N LEU A 393 8.294 9.038 -0.175 1.00 0.15 N ATOM 860 CA LEU A 393 8.279 8.046 0.841 1.00 0.16 C ATOM 861 C LEU A 393 9.657 7.811 1.332 1.00 0.17 C ATOM 862 O LEU A 393 10.622 8.097 0.645 1.00 0.18 O ATOM 863 CB LEU A 393 7.725 6.792 0.249 1.00 0.16 C ATOM 864 CG LEU A 393 6.223 6.785 0.087 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.755 7.942 -0.774 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.790 5.482 -0.517 1.00 0.24 C ATOM 0 H LEU A 393 8.121 8.667 -1.109 1.00 0.15 H new ATOM 0 HA LEU A 393 7.665 8.369 1.682 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.184 6.633 -0.727 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.014 5.950 0.878 1.00 0.16 H new ATOM 0 HG LEU A 393 5.770 6.900 1.072 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.670 7.908 -0.871 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.048 8.883 -0.309 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.210 7.868 -1.762 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.706 5.477 -0.634 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.261 5.359 -1.492 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.088 4.662 0.136 1.00 0.24 H new ATOM 878 N LYS A 394 9.730 7.331 2.533 1.00 0.20 N ATOM 879 CA LYS A 394 10.943 7.146 3.208 1.00 0.24 C ATOM 880 C LYS A 394 10.747 6.056 4.209 1.00 0.30 C ATOM 881 O LYS A 394 9.616 5.623 4.435 1.00 0.38 O ATOM 882 CB LYS A 394 11.289 8.417 3.892 1.00 0.29 C ATOM 883 CG LYS A 394 12.119 9.229 3.007 1.00 0.29 C ATOM 884 CD LYS A 394 11.604 10.605 2.857 1.00 0.61 C ATOM 885 CE LYS A 394 11.930 11.422 4.073 1.00 0.52 C ATOM 886 NZ LYS A 394 11.515 12.841 3.929 1.00 0.67 N1+ ATOM 0 H LYS A 394 8.912 7.053 3.075 1.00 0.20 H new ATOM 0 HA LYS A 394 11.747 6.874 2.525 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.382 8.959 4.158 1.00 0.29 H new ATOM 0 HB3 LYS A 394 11.821 8.211 4.821 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.135 9.265 3.399 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.172 8.755 2.027 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.040 11.069 1.972 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.525 10.582 2.706 1.00 0.61 H new ATOM 0 HE2 LYS A 394 11.436 10.988 4.942 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.003 11.377 4.261 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 11.761 13.364 4.794 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.006 13.265 3.116 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 10.487 12.888 3.776 1.00 0.67 H new ATOM 900 N GLY A 395 11.800 5.633 4.831 1.00 0.32 N ATOM 901 CA GLY A 395 11.661 4.503 5.698 1.00 0.39 C ATOM 902 C GLY A 395 12.953 3.989 6.208 1.00 0.44 C ATOM 903 O GLY A 395 13.993 4.285 5.665 1.00 0.81 O ATOM 0 H GLY A 395 12.735 6.034 4.762 1.00 0.32 H new ATOM 0 HA2 GLY A 395 11.029 4.778 6.543 1.00 0.39 H new ATOM 0 HA3 GLY A 395 11.147 3.705 5.162 1.00 0.39 H new ATOM 907 N THR A 396 12.877 3.142 7.188 1.00 0.58 N ATOM 908 CA THR A 396 14.039 2.536 7.726 1.00 0.57 C ATOM 909 C THR A 396 14.332 1.249 7.038 1.00 0.60 C ATOM 910 O THR A 396 13.507 0.338 6.933 1.00 0.71 O ATOM 911 CB THR A 396 13.948 2.360 9.223 1.00 0.67 C ATOM 912 OG1 THR A 396 12.581 2.198 9.628 1.00 0.79 O ATOM 913 CG2 THR A 396 14.568 3.578 9.855 1.00 0.68 C ATOM 0 H THR A 396 12.004 2.856 7.632 1.00 0.58 H new ATOM 0 HA THR A 396 14.874 3.212 7.544 1.00 0.57 H new ATOM 0 HB THR A 396 14.479 1.463 9.542 1.00 0.67 H new ATOM 0 HG1 THR A 396 12.539 2.083 10.600 1.00 0.79 H new ATOM 0 HG21 THR A 396 14.521 3.488 10.940 1.00 0.68 H new ATOM 0 HG22 THR A 396 15.609 3.660 9.542 1.00 0.68 H new ATOM 0 HG23 THR A 396 14.023 4.468 9.541 1.00 0.68 H new ATOM 921 N ASN A 397 15.508 1.272 6.494 1.00 0.55 N ATOM 922 CA ASN A 397 16.134 0.136 5.844 1.00 0.62 C ATOM 923 C ASN A 397 16.101 -1.109 6.703 1.00 0.69 C ATOM 924 O ASN A 397 15.611 -1.090 7.832 1.00 0.70 O ATOM 925 CB ASN A 397 17.596 0.381 5.557 1.00 0.63 C ATOM 926 CG ASN A 397 17.889 1.078 4.253 1.00 0.70 C ATOM 927 OD1 ASN A 397 17.023 1.966 3.861 1.00 1.12 O flip ATOM 928 ND2 ASN A 397 18.906 0.816 3.613 1.00 0.50 N flip ATOM 0 H ASN A 397 16.091 2.109 6.484 1.00 0.55 H new ATOM 0 HA ASN A 397 15.562 0.000 4.926 1.00 0.62 H new ATOM 0 HB2 ASN A 397 18.014 0.975 6.369 1.00 0.63 H new ATOM 0 HB3 ASN A 397 18.116 -0.577 5.563 1.00 0.63 H new ATOM 0 HD21 ASN A 397 19.558 0.112 3.958 1.00 0.50 H new ATOM 0 HD22 ASN A 397 19.097 1.303 2.737 1.00 0.50 H new ATOM 935 N ASP A 398 16.670 -2.177 6.188 1.00 0.78 N ATOM 936 CA ASP A 398 16.912 -3.361 6.991 1.00 0.85 C ATOM 937 C ASP A 398 17.691 -2.998 8.264 1.00 0.78 C ATOM 938 O ASP A 398 17.583 -3.681 9.283 1.00 0.83 O ATOM 939 CB ASP A 398 17.690 -4.392 6.193 1.00 0.97 C ATOM 940 CG ASP A 398 17.062 -4.706 4.849 1.00 1.23 C ATOM 941 OD1 ASP A 398 17.173 -3.880 3.923 1.00 1.63 O1- ATOM 942 OD2 ASP A 398 16.451 -5.784 4.708 1.00 1.65 O ATOM 0 H ASP A 398 16.974 -2.252 5.217 1.00 0.78 H new ATOM 0 HA ASP A 398 15.948 -3.783 7.274 1.00 0.85 H new ATOM 0 HB2 ASP A 398 18.706 -4.029 6.036 1.00 0.97 H new ATOM 0 HB3 ASP A 398 17.766 -5.311 6.775 1.00 0.97 H new ATOM 947 N ASP A 399 18.429 -1.881 8.221 1.00 0.73 N ATOM 948 CA ASP A 399 19.335 -1.526 9.310 1.00 0.78 C ATOM 949 C ASP A 399 18.700 -0.536 10.250 1.00 0.74 C ATOM 950 O ASP A 399 19.000 -0.502 11.443 1.00 0.86 O ATOM 951 CB ASP A 399 20.564 -0.859 8.757 1.00 0.85 C ATOM 952 CG ASP A 399 21.689 -0.754 9.768 1.00 1.18 C ATOM 953 OD1 ASP A 399 21.749 0.256 10.499 1.00 2.00 O1- ATOM 954 OD2 ASP A 399 22.531 -1.670 9.829 1.00 1.39 O ATOM 0 H ASP A 399 18.414 -1.215 7.448 1.00 0.73 H new ATOM 0 HA ASP A 399 19.577 -2.449 9.836 1.00 0.78 H new ATOM 0 HB2 ASP A 399 20.914 -1.418 7.889 1.00 0.85 H new ATOM 0 HB3 ASP A 399 20.302 0.140 8.408 1.00 0.85 H new ATOM 959 N GLY A 400 17.811 0.257 9.711 1.00 0.65 N ATOM 960 CA GLY A 400 17.333 1.399 10.436 1.00 0.65 C ATOM 961 C GLY A 400 17.904 2.669 9.865 1.00 0.61 C ATOM 962 O GLY A 400 18.159 3.642 10.573 1.00 0.66 O ATOM 0 H GLY A 400 17.408 0.133 8.782 1.00 0.65 H new ATOM 0 HA2 GLY A 400 16.244 1.433 10.394 1.00 0.65 H new ATOM 0 HA3 GLY A 400 17.609 1.311 11.487 1.00 0.65 H new ATOM 966 N THR A 401 18.112 2.634 8.572 1.00 0.56 N ATOM 967 CA THR A 401 18.622 3.731 7.834 1.00 0.56 C ATOM 968 C THR A 401 17.579 4.100 6.849 1.00 0.50 C ATOM 969 O THR A 401 17.026 3.253 6.180 1.00 0.50 O ATOM 970 CB THR A 401 19.912 3.358 7.106 1.00 0.61 C ATOM 971 OG1 THR A 401 19.711 2.191 6.310 1.00 0.61 O ATOM 972 CG2 THR A 401 21.012 3.080 8.105 1.00 0.68 C ATOM 0 H THR A 401 17.921 1.811 8.000 1.00 0.56 H new ATOM 0 HA THR A 401 18.858 4.559 8.502 1.00 0.56 H new ATOM 0 HB THR A 401 20.196 4.194 6.467 1.00 0.61 H new ATOM 0 HG1 THR A 401 20.544 1.963 5.847 1.00 0.61 H new ATOM 0 HG21 THR A 401 21.927 2.815 7.575 1.00 0.68 H new ATOM 0 HG22 THR A 401 21.188 3.970 8.710 1.00 0.68 H new ATOM 0 HG23 THR A 401 20.716 2.254 8.752 1.00 0.68 H new ATOM 980 N PRO A 402 17.251 5.340 6.777 1.00 0.50 N ATOM 981 CA PRO A 402 16.179 5.784 5.958 1.00 0.46 C ATOM 982 C PRO A 402 16.450 5.595 4.477 1.00 0.45 C ATOM 983 O PRO A 402 17.590 5.526 4.020 1.00 0.56 O ATOM 984 CB PRO A 402 16.055 7.243 6.300 1.00 0.55 C ATOM 985 CG PRO A 402 16.781 7.396 7.569 1.00 0.81 C ATOM 986 CD PRO A 402 17.895 6.440 7.442 1.00 0.58 C ATOM 0 HA PRO A 402 15.269 5.214 6.142 1.00 0.46 H new ATOM 0 HB2 PRO A 402 16.487 7.870 5.520 1.00 0.55 H new ATOM 0 HB3 PRO A 402 15.011 7.537 6.404 1.00 0.55 H new ATOM 0 HG2 PRO A 402 17.140 8.416 7.706 1.00 0.81 H new ATOM 0 HG3 PRO A 402 16.148 7.164 8.425 1.00 0.81 H new ATOM 0 HD2 PRO A 402 18.720 6.847 6.858 1.00 0.58 H new ATOM 0 HD3 PRO A 402 18.302 6.152 8.411 1.00 0.58 H new ATOM 994 N TYR A 403 15.373 5.519 3.763 1.00 0.36 N ATOM 995 CA TYR A 403 15.376 5.363 2.326 1.00 0.34 C ATOM 996 C TYR A 403 14.372 6.335 1.765 1.00 0.29 C ATOM 997 O TYR A 403 13.906 7.199 2.488 1.00 0.29 O ATOM 998 CB TYR A 403 15.039 3.917 1.896 1.00 0.34 C ATOM 999 CG TYR A 403 13.632 3.437 2.223 1.00 0.31 C ATOM 1000 CD1 TYR A 403 12.537 3.849 1.472 1.00 0.29 C ATOM 1001 CD2 TYR A 403 13.396 2.583 3.297 1.00 0.37 C ATOM 1002 CE1 TYR A 403 11.261 3.416 1.777 1.00 0.28 C ATOM 1003 CE2 TYR A 403 12.125 2.151 3.605 1.00 0.38 C ATOM 1004 CZ TYR A 403 11.057 2.550 2.802 1.00 0.32 C ATOM 1005 OH TYR A 403 9.790 2.141 3.148 1.00 0.35 O ATOM 0 H TYR A 403 14.437 5.564 4.165 1.00 0.36 H new ATOM 0 HA TYR A 403 16.374 5.568 1.939 1.00 0.34 H new ATOM 0 HB2 TYR A 403 15.189 3.834 0.820 1.00 0.34 H new ATOM 0 HB3 TYR A 403 15.752 3.242 2.370 1.00 0.34 H new ATOM 0 HD1 TYR A 403 12.686 4.518 0.637 1.00 0.29 H new ATOM 0 HD2 TYR A 403 14.228 2.252 3.902 1.00 0.37 H new ATOM 0 HE1 TYR A 403 10.421 3.769 1.197 1.00 0.28 H new ATOM 0 HE2 TYR A 403 11.957 1.511 4.458 1.00 0.38 H new ATOM 0 HH TYR A 403 9.217 2.142 2.353 1.00 0.35 H new ATOM 1015 N GLU A 404 14.069 6.211 0.497 1.00 0.28 N ATOM 1016 CA GLU A 404 13.008 6.981 -0.126 1.00 0.24 C ATOM 1017 C GLU A 404 12.350 6.209 -1.239 1.00 0.24 C ATOM 1018 O GLU A 404 12.928 5.306 -1.841 1.00 0.31 O ATOM 1019 CB GLU A 404 13.505 8.270 -0.720 1.00 0.27 C ATOM 1020 CG GLU A 404 13.713 9.388 0.253 1.00 0.29 C ATOM 1021 CD GLU A 404 14.770 10.370 -0.201 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.628 10.930 -1.310 1.00 0.45 O ATOM 1023 OE2 GLU A 404 15.736 10.606 0.555 1.00 0.62 O1- ATOM 0 H GLU A 404 14.549 5.573 -0.138 1.00 0.28 H new ATOM 0 HA GLU A 404 12.299 7.192 0.674 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.448 8.075 -1.230 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.794 8.599 -1.478 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.771 9.917 0.399 1.00 0.29 H new ATOM 0 HG3 GLU A 404 13.999 8.974 1.220 1.00 0.29 H new ATOM 1030 N SER A 405 11.124 6.593 -1.482 1.00 0.20 N ATOM 1031 CA SER A 405 10.300 5.994 -2.471 1.00 0.20 C ATOM 1032 C SER A 405 9.447 7.075 -3.150 1.00 0.18 C ATOM 1033 O SER A 405 8.423 7.504 -2.617 1.00 0.23 O ATOM 1034 CB SER A 405 9.459 4.968 -1.746 1.00 0.26 C ATOM 1035 OG SER A 405 10.149 3.734 -1.622 1.00 1.33 O ATOM 0 H SER A 405 10.669 7.353 -0.977 1.00 0.20 H new ATOM 0 HA SER A 405 10.873 5.512 -3.263 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.197 5.342 -0.756 1.00 0.26 H new ATOM 0 HB3 SER A 405 8.525 4.813 -2.286 1.00 0.26 H new ATOM 0 HG SER A 405 9.823 3.107 -2.301 1.00 1.33 H new ATOM 1041 N PRO A 406 9.899 7.543 -4.324 1.00 0.18 N ATOM 1042 CA PRO A 406 9.252 8.597 -5.103 1.00 0.19 C ATOM 1043 C PRO A 406 7.906 8.187 -5.659 1.00 0.17 C ATOM 1044 O PRO A 406 7.801 7.410 -6.605 1.00 0.17 O ATOM 1045 CB PRO A 406 10.233 8.832 -6.238 1.00 0.20 C ATOM 1046 CG PRO A 406 10.892 7.532 -6.389 1.00 0.19 C ATOM 1047 CD PRO A 406 11.090 7.065 -4.994 1.00 0.18 C ATOM 0 HA PRO A 406 9.043 9.475 -4.492 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.724 9.134 -7.153 1.00 0.20 H new ATOM 0 HB3 PRO A 406 10.947 9.619 -5.996 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.276 6.836 -6.959 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.841 7.625 -6.917 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.177 5.980 -4.939 1.00 0.18 H new ATOM 0 HD3 PRO A 406 11.996 7.480 -4.553 1.00 0.18 H new ATOM 1055 N VAL A 407 6.896 8.752 -5.087 1.00 0.17 N ATOM 1056 CA VAL A 407 5.552 8.447 -5.398 1.00 0.17 C ATOM 1057 C VAL A 407 4.845 9.689 -5.931 1.00 0.19 C ATOM 1058 O VAL A 407 5.335 10.808 -5.806 1.00 0.30 O ATOM 1059 CB VAL A 407 4.948 7.930 -4.087 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.766 8.746 -3.633 1.00 0.15 C ATOM 1061 CG2 VAL A 407 4.640 6.455 -4.176 1.00 0.23 C ATOM 0 H VAL A 407 6.995 9.465 -4.364 1.00 0.17 H new ATOM 0 HA VAL A 407 5.451 7.698 -6.183 1.00 0.17 H new ATOM 0 HB VAL A 407 5.702 8.055 -3.310 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.378 8.336 -2.701 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.076 9.779 -3.474 1.00 0.15 H new ATOM 0 HG13 VAL A 407 2.988 8.714 -4.395 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.213 6.115 -3.233 1.00 0.23 H new ATOM 0 HG22 VAL A 407 3.927 6.280 -4.981 1.00 0.23 H new ATOM 0 HG23 VAL A 407 5.558 5.903 -4.378 1.00 0.23 H new ATOM 1071 N ASN A 408 3.745 9.462 -6.603 1.00 0.19 N ATOM 1072 CA ASN A 408 2.829 10.508 -6.995 1.00 0.21 C ATOM 1073 C ASN A 408 1.701 10.496 -6.028 1.00 0.19 C ATOM 1074 O ASN A 408 1.199 11.522 -5.620 1.00 0.26 O ATOM 1075 CB ASN A 408 2.276 10.269 -8.382 1.00 0.34 C ATOM 1076 CG ASN A 408 2.198 8.832 -8.698 1.00 1.01 C ATOM 1077 OD1 ASN A 408 3.313 8.319 -9.118 1.00 1.84 O flip ATOM 1078 ND2 ASN A 408 1.159 8.189 -8.557 1.00 1.01 N flip ATOM 0 H ASN A 408 3.454 8.530 -6.899 1.00 0.19 H new ATOM 0 HA ASN A 408 3.355 11.463 -7.000 1.00 0.21 H new ATOM 0 HB2 ASN A 408 1.283 10.713 -8.459 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.907 10.769 -9.116 1.00 0.34 H new ATOM 0 HD21 ASN A 408 0.314 8.652 -8.222 1.00 1.01 H new ATOM 0 HD22 ASN A 408 1.142 7.193 -8.775 1.00 1.01 H new ATOM 1085 N TYR A 409 1.299 9.298 -5.680 1.00 0.15 N ATOM 1086 CA TYR A 409 0.144 9.123 -4.817 1.00 0.15 C ATOM 1087 C TYR A 409 0.502 8.277 -3.625 1.00 0.14 C ATOM 1088 O TYR A 409 0.789 7.086 -3.741 1.00 0.15 O ATOM 1089 CB TYR A 409 -1.044 8.512 -5.559 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.399 9.235 -6.840 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.153 10.588 -6.966 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.953 8.569 -7.923 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -1.436 11.267 -8.118 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -2.248 9.244 -9.093 1.00 0.34 C ATOM 1095 CZ TYR A 409 -1.986 10.596 -9.186 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.277 11.275 -10.347 1.00 0.41 O ATOM 0 H TYR A 409 1.748 8.431 -5.976 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.157 10.114 -4.478 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.820 7.471 -5.790 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.912 8.512 -4.900 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -0.725 11.124 -6.132 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -2.156 7.511 -7.852 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -1.229 12.325 -8.190 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -2.681 8.716 -9.930 1.00 0.34 H new ATOM 0 HH TYR A 409 -1.652 12.022 -10.455 1.00 0.41 H new ATOM 1106 N TRP A 410 0.460 8.922 -2.491 1.00 0.13 N ATOM 1107 CA TRP A 410 0.791 8.319 -1.221 1.00 0.11 C ATOM 1108 C TRP A 410 -0.360 8.453 -0.272 1.00 0.10 C ATOM 1109 O TRP A 410 -0.993 9.504 -0.170 1.00 0.12 O ATOM 1110 CB TRP A 410 2.017 9.014 -0.629 1.00 0.12 C ATOM 1111 CG TRP A 410 2.474 8.511 0.702 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.908 9.279 1.726 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.575 7.158 1.150 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.260 8.501 2.786 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.074 7.188 2.461 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.292 5.932 0.575 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.298 6.028 3.202 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.516 4.786 1.296 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.019 4.838 2.600 1.00 0.11 C ATOM 0 H TRP A 410 0.189 9.903 -2.419 1.00 0.13 H new ATOM 0 HA TRP A 410 1.006 7.262 -1.377 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.842 8.917 -1.335 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.799 10.078 -0.538 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.967 10.357 1.706 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.608 8.844 3.681 1.00 0.13 H new ATOM 0 HE3 TRP A 410 1.899 5.877 -0.430 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.677 6.071 4.212 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.300 3.827 0.849 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.189 3.918 3.140 1.00 0.11 H new ATOM 1130 N MET A 411 -0.634 7.383 0.407 1.00 0.09 N ATOM 1131 CA MET A 411 -1.625 7.399 1.435 1.00 0.10 C ATOM 1132 C MET A 411 -1.141 6.659 2.674 1.00 0.09 C ATOM 1133 O MET A 411 -1.406 5.469 2.840 1.00 0.10 O ATOM 1134 CB MET A 411 -2.889 6.796 0.891 1.00 0.12 C ATOM 1135 CG MET A 411 -3.893 7.839 0.457 1.00 0.14 C ATOM 1136 SD MET A 411 -4.751 7.355 -1.043 1.00 0.41 S ATOM 1137 CE MET A 411 -5.129 5.659 -0.640 1.00 0.13 C ATOM 0 H MET A 411 -0.180 6.480 0.265 1.00 0.09 H new ATOM 0 HA MET A 411 -1.820 8.427 1.741 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.646 6.157 0.042 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.339 6.158 1.652 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.618 8.000 1.255 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.383 8.789 0.294 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.571 5.169 -1.507 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.213 5.139 -0.357 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.834 5.631 0.191 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.401 7.354 3.546 1.00 0.09 N ATOM 1148 CA PRO A 412 0.145 6.769 4.777 1.00 0.09 C ATOM 1149 C PRO A 412 -0.940 6.489 5.789 1.00 0.09 C ATOM 1150 O PRO A 412 -1.896 7.251 5.940 1.00 0.09 O ATOM 1151 CB PRO A 412 1.067 7.871 5.293 1.00 0.10 C ATOM 1152 CG PRO A 412 0.438 9.119 4.800 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.033 8.780 3.418 1.00 0.11 C ATOM 0 HA PRO A 412 0.642 5.814 4.604 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.134 7.860 6.381 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.081 7.756 4.910 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.391 9.425 5.438 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.150 9.944 4.786 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.883 9.393 3.117 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.749 8.932 2.674 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.783 5.360 6.446 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.788 4.821 7.338 1.00 0.10 C ATOM 1163 C ILE A 413 -1.225 4.598 8.723 1.00 0.14 C ATOM 1164 O ILE A 413 -1.964 4.386 9.682 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.284 3.494 6.786 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.148 2.458 6.806 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.785 3.745 5.386 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.421 1.218 5.991 1.00 0.11 C ATOM 0 H ILE A 413 0.056 4.784 6.375 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.607 5.537 7.408 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.093 3.091 7.396 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.237 2.928 6.435 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -0.958 2.165 7.839 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.150 2.812 4.957 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.596 4.473 5.415 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.972 4.133 4.773 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.569 0.542 6.061 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.312 0.720 6.374 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.580 1.495 4.949 1.00 0.11 H new ATOM 1180 N ASP A 414 0.094 4.596 8.798 1.00 0.15 N ATOM 1181 CA ASP A 414 0.787 4.457 10.061 1.00 0.22 C ATOM 1182 C ASP A 414 1.909 5.490 10.127 1.00 0.21 C ATOM 1183 O ASP A 414 2.214 6.127 9.116 1.00 0.22 O ATOM 1184 CB ASP A 414 1.310 3.021 10.228 1.00 0.31 C ATOM 1185 CG ASP A 414 2.817 2.945 10.315 1.00 0.88 C ATOM 1186 OD1 ASP A 414 3.494 3.167 9.293 1.00 1.23 O1- ATOM 1187 OD2 ASP A 414 3.336 2.702 11.425 1.00 1.59 O ATOM 0 H ASP A 414 0.709 4.690 7.990 1.00 0.15 H new ATOM 0 HA ASP A 414 0.102 4.642 10.889 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.878 2.586 11.129 1.00 0.31 H new ATOM 0 HB3 ASP A 414 0.970 2.417 9.387 1.00 0.31 H new ATOM 1192 N TRP A 415 2.523 5.658 11.288 1.00 0.24 N ATOM 1193 CA TRP A 415 3.538 6.686 11.455 1.00 0.25 C ATOM 1194 C TRP A 415 4.969 6.145 11.401 1.00 0.27 C ATOM 1195 O TRP A 415 5.900 6.860 11.767 1.00 0.31 O ATOM 1196 CB TRP A 415 3.306 7.489 12.733 1.00 0.28 C ATOM 1197 CG TRP A 415 2.292 8.581 12.559 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.552 9.907 12.372 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.866 8.446 12.541 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.376 10.605 12.250 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.329 9.730 12.347 1.00 0.28 C ATOM 1202 CE3 TRP A 415 -0.012 7.367 12.671 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.041 9.960 12.281 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.371 7.605 12.602 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.871 8.890 12.409 1.00 0.27 C ATOM 0 H TRP A 415 2.338 5.101 12.122 1.00 0.24 H new ATOM 0 HA TRP A 415 3.432 7.352 10.599 1.00 0.25 H new ATOM 0 HB2 TRP A 415 2.976 6.816 13.524 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.250 7.925 13.059 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.539 10.344 12.327 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.296 11.612 12.110 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.365 6.366 12.823 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.433 10.955 12.133 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -2.059 6.778 12.700 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -2.939 9.040 12.360 1.00 0.27 H new ATOM 1216 N THR A 416 5.173 4.920 10.939 1.00 0.27 N ATOM 1217 CA THR A 416 6.536 4.447 10.738 1.00 0.32 C ATOM 1218 C THR A 416 6.874 4.615 9.281 1.00 0.30 C ATOM 1219 O THR A 416 8.027 4.842 8.902 1.00 0.35 O ATOM 1220 CB THR A 416 6.754 2.972 11.138 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.754 2.126 10.557 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.759 2.806 12.648 1.00 0.44 C ATOM 0 H THR A 416 4.438 4.253 10.702 1.00 0.27 H new ATOM 0 HA THR A 416 7.184 5.037 11.387 1.00 0.32 H new ATOM 0 HB THR A 416 7.729 2.674 10.754 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.966 2.103 11.139 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.915 1.757 12.898 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.563 3.404 13.077 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.803 3.138 13.054 1.00 0.44 H new ATOM 1230 N GLY A 417 5.833 4.549 8.478 1.00 0.24 N ATOM 1231 CA GLY A 417 5.961 4.851 7.087 1.00 0.24 C ATOM 1232 C GLY A 417 5.253 3.867 6.202 1.00 0.19 C ATOM 1233 O GLY A 417 5.682 3.614 5.077 1.00 0.20 O ATOM 0 H GLY A 417 4.893 4.288 8.774 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.564 5.849 6.900 1.00 0.24 H new ATOM 0 HA3 GLY A 417 7.018 4.873 6.822 1.00 0.24 H new ATOM 1237 N VAL A 418 4.167 3.307 6.698 1.00 0.15 N ATOM 1238 CA VAL A 418 3.382 2.402 5.901 1.00 0.11 C ATOM 1239 C VAL A 418 2.127 3.071 5.373 1.00 0.09 C ATOM 1240 O VAL A 418 1.571 3.980 5.998 1.00 0.09 O ATOM 1241 CB VAL A 418 3.017 1.119 6.676 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.067 0.240 5.883 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.278 0.355 6.979 1.00 0.17 C ATOM 0 H VAL A 418 3.815 3.465 7.642 1.00 0.15 H new ATOM 0 HA VAL A 418 4.003 2.116 5.052 1.00 0.11 H new ATOM 0 HB VAL A 418 2.514 1.405 7.600 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.832 -0.654 6.460 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.149 0.790 5.676 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.537 -0.048 4.943 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.030 -0.554 7.527 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.777 0.092 6.046 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.942 0.973 7.583 1.00 0.17 H new ATOM 1253 N GLY A 419 1.703 2.617 4.211 1.00 0.10 N ATOM 1254 CA GLY A 419 0.511 3.144 3.586 1.00 0.08 C ATOM 1255 C GLY A 419 0.301 2.560 2.213 1.00 0.08 C ATOM 1256 O GLY A 419 0.951 1.577 1.851 1.00 0.09 O ATOM 0 H GLY A 419 2.169 1.881 3.680 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.355 2.926 4.211 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.587 4.229 3.513 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.582 3.166 1.437 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.804 2.739 0.084 1.00 0.09 C ATOM 1262 C ILE A 420 -0.103 3.702 -0.858 1.00 0.07 C ATOM 1263 O ILE A 420 -0.129 4.914 -0.639 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.314 2.683 -0.234 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.754 1.252 -0.494 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.646 3.525 -1.432 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.896 0.392 0.739 1.00 0.11 C ATOM 0 H ILE A 420 -1.154 3.957 1.731 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.399 1.736 -0.046 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.845 3.075 0.633 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.710 1.272 -1.017 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -2.034 0.783 -1.164 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.716 3.467 -1.633 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.370 4.561 -1.236 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -2.094 3.159 -2.298 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.214 -0.610 0.449 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.937 0.334 1.254 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.640 0.830 1.404 1.00 0.11 H new ATOM 1279 N HIS A 421 0.533 3.178 -1.883 1.00 0.07 N ATOM 1280 CA HIS A 421 1.184 4.034 -2.858 1.00 0.07 C ATOM 1281 C HIS A 421 1.245 3.387 -4.213 1.00 0.09 C ATOM 1282 O HIS A 421 0.942 2.212 -4.388 1.00 0.11 O ATOM 1283 CB HIS A 421 2.612 4.381 -2.459 1.00 0.09 C ATOM 1284 CG HIS A 421 3.525 3.218 -2.326 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.159 2.645 -3.394 1.00 0.12 N ATOM 1286 CD2 HIS A 421 3.966 2.573 -1.225 1.00 0.13 C ATOM 1287 CE1 HIS A 421 4.971 1.691 -2.920 1.00 0.15 C ATOM 1288 NE2 HIS A 421 4.887 1.605 -1.606 1.00 0.15 N ATOM 0 H HIS A 421 0.615 2.178 -2.064 1.00 0.07 H new ATOM 0 HA HIS A 421 0.578 4.940 -2.895 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.025 5.065 -3.200 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.588 4.916 -1.510 1.00 0.09 H new ATOM 0 HD1 HIS A 421 4.036 2.898 -4.374 1.00 0.12 H new ATOM 0 HD2 HIS A 421 3.653 2.777 -0.212 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.611 1.073 -3.533 1.00 0.15 H new ATOM 1296 N ASP A 422 1.665 4.201 -5.155 1.00 0.11 N ATOM 1297 CA ASP A 422 1.912 3.811 -6.499 1.00 0.14 C ATOM 1298 C ASP A 422 3.371 3.429 -6.623 1.00 0.19 C ATOM 1299 O ASP A 422 4.218 3.948 -5.898 1.00 0.29 O ATOM 1300 CB ASP A 422 1.615 5.011 -7.378 1.00 0.20 C ATOM 1301 CG ASP A 422 2.849 5.834 -7.680 1.00 0.31 C ATOM 1302 OD1 ASP A 422 3.192 6.713 -6.860 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.473 5.620 -8.741 1.00 0.42 O ATOM 0 H ASP A 422 1.847 5.190 -4.985 1.00 0.11 H new ATOM 0 HA ASP A 422 1.293 2.964 -6.795 1.00 0.14 H new ATOM 0 HB2 ASP A 422 1.173 4.670 -8.314 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.874 5.642 -6.887 1.00 0.20 H new ATOM 1308 N SER A 423 3.669 2.517 -7.506 1.00 0.15 N ATOM 1309 CA SER A 423 5.030 2.103 -7.688 1.00 0.19 C ATOM 1310 C SER A 423 5.365 2.050 -9.132 1.00 0.15 C ATOM 1311 O SER A 423 5.011 1.133 -9.871 1.00 0.16 O ATOM 1312 CB SER A 423 5.236 0.736 -7.064 1.00 0.26 C ATOM 1313 OG SER A 423 4.148 -0.119 -7.359 1.00 1.48 O ATOM 0 H SER A 423 2.991 2.049 -8.108 1.00 0.15 H new ATOM 0 HA SER A 423 5.685 2.826 -7.203 1.00 0.19 H new ATOM 0 HB2 SER A 423 6.161 0.297 -7.437 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.343 0.836 -5.984 1.00 0.26 H new ATOM 0 HG SER A 423 3.693 0.198 -8.167 1.00 1.48 H new ATOM 1319 N ASP A 424 6.049 3.083 -9.513 1.00 0.13 N ATOM 1320 CA ASP A 424 6.550 3.215 -10.837 1.00 0.13 C ATOM 1321 C ASP A 424 7.996 2.743 -10.919 1.00 0.12 C ATOM 1322 O ASP A 424 8.452 2.236 -11.941 1.00 0.15 O ATOM 1323 CB ASP A 424 6.355 4.641 -11.255 1.00 0.15 C ATOM 1324 CG ASP A 424 7.230 5.054 -12.419 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.861 4.769 -13.577 1.00 0.34 O ATOM 1326 OD2 ASP A 424 8.295 5.663 -12.180 1.00 0.35 O1- ATOM 0 H ASP A 424 6.276 3.867 -8.901 1.00 0.13 H new ATOM 0 HA ASP A 424 6.007 2.576 -11.534 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.310 4.793 -11.525 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.563 5.292 -10.406 1.00 0.15 H new ATOM 1331 N TRP A 425 8.715 2.942 -9.805 1.00 0.12 N ATOM 1332 CA TRP A 425 10.085 2.449 -9.660 1.00 0.14 C ATOM 1333 C TRP A 425 10.053 0.947 -9.512 1.00 0.15 C ATOM 1334 O TRP A 425 11.015 0.244 -9.808 1.00 0.18 O ATOM 1335 CB TRP A 425 10.768 3.063 -8.430 1.00 0.14 C ATOM 1336 CG TRP A 425 10.280 2.547 -7.118 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.645 1.407 -6.480 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.359 3.202 -6.273 1.00 0.12 C ATOM 1339 NE1 TRP A 425 9.980 1.308 -5.280 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.184 2.411 -5.131 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.665 4.386 -6.389 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.332 2.787 -4.097 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.831 4.766 -5.376 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.663 3.975 -4.236 1.00 0.15 C ATOM 0 H TRP A 425 8.365 3.444 -8.989 1.00 0.12 H new ATOM 0 HA TRP A 425 10.652 2.735 -10.546 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.840 2.881 -8.499 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.626 4.143 -8.455 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.353 0.684 -6.858 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.066 0.541 -4.613 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.778 5.004 -7.267 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.203 2.168 -3.221 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.290 5.697 -5.458 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.996 4.305 -3.453 1.00 0.15 H new ATOM 1355 N GLN A 426 8.932 0.496 -8.999 1.00 0.15 N ATOM 1356 CA GLN A 426 8.644 -0.905 -8.812 1.00 0.17 C ATOM 1357 C GLN A 426 7.566 -1.307 -9.758 1.00 0.18 C ATOM 1358 O GLN A 426 6.376 -1.121 -9.528 1.00 0.28 O ATOM 1359 CB GLN A 426 8.319 -1.133 -7.378 1.00 0.18 C ATOM 1360 CG GLN A 426 7.217 -2.096 -7.040 1.00 0.58 C ATOM 1361 CD GLN A 426 7.745 -3.183 -6.167 1.00 0.63 C ATOM 1362 OE1 GLN A 426 7.753 -3.111 -4.946 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.214 -4.185 -6.811 1.00 0.22 N ATOM 0 H GLN A 426 8.177 1.110 -8.693 1.00 0.15 H new ATOM 0 HA GLN A 426 9.501 -1.538 -9.042 1.00 0.17 H new ATOM 0 HB2 GLN A 426 9.226 -1.479 -6.883 1.00 0.18 H new ATOM 0 HB3 GLN A 426 8.064 -0.169 -6.938 1.00 0.18 H new ATOM 0 HG2 GLN A 426 6.407 -1.572 -6.533 1.00 0.58 H new ATOM 0 HG3 GLN A 426 6.800 -2.521 -7.953 1.00 0.58 H new ATOM 0 HE21 GLN A 426 8.183 -4.196 -7.830 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.619 -4.973 -6.305 1.00 0.22 H new ATOM 1372 N PRO A 427 7.994 -1.829 -10.859 1.00 0.16 N ATOM 1373 CA PRO A 427 7.131 -2.206 -11.915 1.00 0.18 C ATOM 1374 C PRO A 427 6.546 -3.599 -11.749 1.00 0.16 C ATOM 1375 O PRO A 427 5.803 -4.075 -12.609 1.00 0.18 O ATOM 1376 CB PRO A 427 8.075 -2.141 -13.089 1.00 0.23 C ATOM 1377 CG PRO A 427 9.312 -2.678 -12.525 1.00 0.23 C ATOM 1378 CD PRO A 427 9.389 -2.036 -11.196 1.00 0.19 C ATOM 0 HA PRO A 427 6.246 -1.575 -11.995 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.720 -2.736 -13.930 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.203 -1.121 -13.452 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.279 -3.765 -12.445 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.176 -2.430 -13.142 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.891 -2.673 -10.468 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.940 -1.096 -11.232 1.00 0.19 H new ATOM 1386 N GLU A 428 6.859 -4.261 -10.648 1.00 0.14 N ATOM 1387 CA GLU A 428 6.324 -5.590 -10.452 1.00 0.14 C ATOM 1388 C GLU A 428 5.376 -5.601 -9.279 1.00 0.12 C ATOM 1389 O GLU A 428 5.535 -4.833 -8.341 1.00 0.15 O ATOM 1390 CB GLU A 428 7.424 -6.608 -10.245 1.00 0.17 C ATOM 1391 CG GLU A 428 7.218 -7.872 -11.012 1.00 0.22 C ATOM 1392 CD GLU A 428 8.506 -8.595 -11.324 1.00 0.64 C ATOM 1393 OE1 GLU A 428 9.193 -9.024 -10.380 1.00 0.98 O ATOM 1394 OE2 GLU A 428 8.839 -8.733 -12.520 1.00 1.10 O1- ATOM 0 H GLU A 428 7.460 -3.912 -9.901 1.00 0.14 H new ATOM 0 HA GLU A 428 5.781 -5.867 -11.355 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.377 -6.166 -10.537 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.495 -6.844 -9.183 1.00 0.17 H new ATOM 0 HG2 GLU A 428 6.567 -8.534 -10.441 1.00 0.22 H new ATOM 0 HG3 GLU A 428 6.702 -7.644 -11.945 1.00 0.22 H new ATOM 1401 N TYR A 429 4.389 -6.472 -9.379 1.00 0.11 N ATOM 1402 CA TYR A 429 3.279 -6.577 -8.446 1.00 0.10 C ATOM 1403 C TYR A 429 2.617 -7.918 -8.649 1.00 0.10 C ATOM 1404 O TYR A 429 2.235 -8.265 -9.769 1.00 0.14 O ATOM 1405 CB TYR A 429 2.209 -5.553 -8.721 1.00 0.13 C ATOM 1406 CG TYR A 429 2.586 -4.400 -9.604 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.559 -4.541 -10.974 1.00 0.23 C ATOM 1408 CD2 TYR A 429 2.993 -3.195 -9.066 1.00 0.19 C ATOM 1409 CE1 TYR A 429 2.927 -3.495 -11.801 1.00 0.29 C ATOM 1410 CE2 TYR A 429 3.369 -2.146 -9.875 1.00 0.25 C ATOM 1411 CZ TYR A 429 3.228 -2.250 -11.224 1.00 0.30 C ATOM 1412 OH TYR A 429 3.717 -1.254 -12.050 1.00 0.38 O ATOM 0 H TYR A 429 4.335 -7.151 -10.139 1.00 0.11 H new ATOM 0 HA TYR A 429 3.682 -6.434 -7.443 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.359 -6.063 -9.173 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.869 -5.152 -7.766 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.247 -5.480 -11.408 1.00 0.23 H new ATOM 0 HD2 TYR A 429 3.017 -3.073 -7.993 1.00 0.19 H new ATOM 0 HE1 TYR A 429 2.982 -3.633 -12.871 1.00 0.29 H new ATOM 0 HE2 TYR A 429 3.774 -1.244 -9.440 1.00 0.25 H new ATOM 0 HH TYR A 429 3.039 -0.554 -12.155 1.00 0.38 H new ATOM 1422 N GLY A 430 2.506 -8.679 -7.604 1.00 0.10 N ATOM 1423 CA GLY A 430 1.901 -9.976 -7.737 1.00 0.12 C ATOM 1424 C GLY A 430 2.515 -10.959 -6.794 1.00 0.13 C ATOM 1425 O GLY A 430 3.277 -10.552 -5.923 1.00 0.13 O ATOM 0 H GLY A 430 2.819 -8.435 -6.664 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.831 -9.902 -7.543 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.016 -10.330 -8.761 1.00 0.12 H new ATOM 1429 N GLY A 431 2.234 -12.249 -7.034 1.00 0.16 N ATOM 1430 CA GLY A 431 2.827 -13.351 -6.273 1.00 0.20 C ATOM 1431 C GLY A 431 4.194 -13.019 -5.727 1.00 0.17 C ATOM 1432 O GLY A 431 4.986 -12.366 -6.409 1.00 0.16 O ATOM 0 H GLY A 431 1.588 -12.554 -7.762 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.165 -13.613 -5.447 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.901 -14.230 -6.914 1.00 0.20 H new ATOM 1436 N ASP A 432 4.538 -13.605 -4.593 1.00 0.18 N ATOM 1437 CA ASP A 432 5.367 -12.923 -3.612 1.00 0.18 C ATOM 1438 C ASP A 432 6.652 -12.436 -4.202 1.00 0.18 C ATOM 1439 O ASP A 432 7.626 -13.159 -4.420 1.00 0.19 O ATOM 1440 CB ASP A 432 5.697 -13.866 -2.460 1.00 0.22 C ATOM 1441 CG ASP A 432 4.507 -14.653 -1.946 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.052 -15.576 -2.652 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.014 -14.337 -0.841 1.00 0.33 O1- ATOM 0 H ASP A 432 4.257 -14.549 -4.328 1.00 0.18 H new ATOM 0 HA ASP A 432 4.797 -12.064 -3.258 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.468 -14.564 -2.785 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.118 -13.286 -1.639 1.00 0.22 H new ATOM 1448 N LEU A 433 6.587 -11.154 -4.445 1.00 0.16 N ATOM 1449 CA LEU A 433 7.664 -10.368 -4.933 1.00 0.15 C ATOM 1450 C LEU A 433 8.314 -9.691 -3.772 1.00 0.14 C ATOM 1451 O LEU A 433 9.509 -9.438 -3.800 1.00 0.15 O ATOM 1452 CB LEU A 433 7.080 -9.391 -5.909 1.00 0.14 C ATOM 1453 CG LEU A 433 6.696 -10.025 -7.228 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.825 -9.090 -8.029 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.946 -10.415 -7.988 1.00 0.18 C ATOM 0 H LEU A 433 5.735 -10.613 -4.297 1.00 0.16 H new ATOM 0 HA LEU A 433 8.428 -10.959 -5.437 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.199 -8.927 -5.466 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.801 -8.595 -6.092 1.00 0.14 H new ATOM 0 HG LEU A 433 6.116 -10.929 -7.041 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.558 -9.562 -8.975 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.919 -8.866 -7.467 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.368 -8.166 -8.225 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.667 -10.871 -8.938 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.550 -9.527 -8.176 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.523 -11.128 -7.399 1.00 0.18 H new ATOM 1467 N TRP A 434 7.520 -9.371 -2.767 1.00 0.14 N ATOM 1468 CA TRP A 434 8.009 -8.638 -1.617 1.00 0.14 C ATOM 1469 C TRP A 434 9.330 -9.196 -1.124 1.00 0.17 C ATOM 1470 O TRP A 434 10.260 -8.445 -0.818 1.00 0.22 O ATOM 1471 CB TRP A 434 6.958 -8.598 -0.502 1.00 0.15 C ATOM 1472 CG TRP A 434 6.353 -9.923 -0.103 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.534 -10.713 -0.852 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.467 -10.575 1.170 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.160 -11.823 -0.136 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.722 -11.759 1.107 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.137 -10.279 2.348 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.631 -12.638 2.181 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.046 -11.145 3.417 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.300 -12.315 3.326 1.00 0.19 C ATOM 0 H TRP A 434 6.529 -9.609 -2.725 1.00 0.14 H new ATOM 0 HA TRP A 434 8.193 -7.610 -1.931 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.414 -8.150 0.381 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.152 -7.935 -0.816 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.224 -10.497 -1.864 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.560 -12.574 -0.477 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.726 -9.377 2.427 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.050 -13.546 2.111 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.561 -10.912 4.337 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.249 -12.979 4.176 1.00 0.19 H new ATOM 1491 N LYS A 435 9.434 -10.517 -1.185 1.00 0.17 N ATOM 1492 CA LYS A 435 10.570 -11.241 -0.669 1.00 0.19 C ATOM 1493 C LYS A 435 11.859 -10.852 -1.336 1.00 0.20 C ATOM 1494 O LYS A 435 12.933 -10.964 -0.750 1.00 0.22 O ATOM 1495 CB LYS A 435 10.340 -12.695 -0.876 1.00 0.20 C ATOM 1496 CG LYS A 435 9.208 -13.161 -0.055 1.00 0.22 C ATOM 1497 CD LYS A 435 9.041 -14.625 -0.183 1.00 0.26 C ATOM 1498 CE LYS A 435 7.746 -14.999 0.428 1.00 0.35 C ATOM 1499 NZ LYS A 435 7.763 -16.351 1.041 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.720 -11.115 -1.600 1.00 0.17 H new ATOM 0 HA LYS A 435 10.665 -10.997 0.389 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.138 -12.891 -1.929 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.240 -13.252 -0.615 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.377 -12.899 0.989 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.293 -12.656 -0.367 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.065 -14.920 -1.232 1.00 0.26 H new ATOM 0 HD3 LYS A 435 9.860 -15.146 0.314 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.484 -14.264 1.189 1.00 0.35 H new ATOM 0 HE3 LYS A 435 6.967 -14.961 -0.333 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 6.830 -16.557 1.452 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 7.985 -17.060 0.313 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 8.486 -16.384 1.788 1.00 0.64 H new ATOM 1513 N THR A 436 11.748 -10.395 -2.549 1.00 0.19 N ATOM 1514 CA THR A 436 12.908 -10.061 -3.324 1.00 0.21 C ATOM 1515 C THR A 436 12.964 -8.563 -3.559 1.00 0.19 C ATOM 1516 O THR A 436 14.025 -7.936 -3.498 1.00 0.23 O ATOM 1517 CB THR A 436 12.866 -10.803 -4.670 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.776 -10.324 -5.469 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.682 -12.285 -4.427 1.00 0.25 C ATOM 0 H THR A 436 10.859 -10.244 -3.026 1.00 0.19 H new ATOM 0 HA THR A 436 13.800 -10.365 -2.777 1.00 0.21 H new ATOM 0 HB THR A 436 13.804 -10.624 -5.196 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.008 -10.130 -4.892 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.652 -12.809 -5.382 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.514 -12.662 -3.832 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.747 -12.453 -3.892 1.00 0.25 H new ATOM 1527 N ARG A 437 11.789 -7.995 -3.773 1.00 0.16 N ATOM 1528 CA ARG A 437 11.668 -6.629 -4.247 1.00 0.15 C ATOM 1529 C ARG A 437 11.776 -5.611 -3.127 1.00 0.17 C ATOM 1530 O ARG A 437 11.970 -4.419 -3.364 1.00 0.20 O ATOM 1531 CB ARG A 437 10.352 -6.489 -4.968 1.00 0.14 C ATOM 1532 CG ARG A 437 10.177 -7.504 -6.049 1.00 0.15 C ATOM 1533 CD ARG A 437 9.474 -6.919 -7.251 1.00 0.17 C ATOM 1534 NE ARG A 437 10.268 -5.841 -7.856 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.836 -5.892 -9.066 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.705 -6.961 -9.833 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.550 -4.862 -9.504 1.00 0.36 N ATOM 0 H ARG A 437 10.897 -8.466 -3.624 1.00 0.16 H new ATOM 0 HA ARG A 437 12.497 -6.424 -4.924 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.537 -6.584 -4.250 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.283 -5.490 -5.398 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.152 -7.889 -6.348 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.604 -8.349 -5.667 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.296 -7.702 -7.989 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.499 -6.534 -6.954 1.00 0.17 H new ATOM 0 HE ARG A 437 10.396 -4.988 -7.311 1.00 0.23 H new ATOM 0 HH11 ARG A 437 10.165 -7.761 -9.504 1.00 0.34 H new ATOM 0 HH12 ARG A 437 11.144 -6.985 -10.753 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.664 -4.035 -8.918 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.984 -4.898 -10.426 1.00 0.36 H new ATOM 1551 N GLY A 438 11.654 -6.099 -1.917 1.00 0.16 N ATOM 1552 CA GLY A 438 12.166 -5.363 -0.772 1.00 0.17 C ATOM 1553 C GLY A 438 11.352 -4.150 -0.337 1.00 0.17 C ATOM 1554 O GLY A 438 11.930 -3.127 0.033 1.00 0.21 O ATOM 0 H GLY A 438 11.212 -6.991 -1.694 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.238 -6.049 0.072 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.179 -5.032 -1.002 1.00 0.17 H new ATOM 1558 N SER A 439 10.031 -4.256 -0.347 1.00 0.15 N ATOM 1559 CA SER A 439 9.175 -3.170 0.133 1.00 0.16 C ATOM 1560 C SER A 439 9.116 -3.203 1.665 1.00 0.14 C ATOM 1561 O SER A 439 9.065 -4.264 2.259 1.00 0.20 O ATOM 1562 CB SER A 439 7.781 -3.377 -0.441 1.00 0.22 C ATOM 1563 OG SER A 439 7.862 -3.800 -1.791 1.00 0.47 O ATOM 0 H SER A 439 9.526 -5.077 -0.680 1.00 0.15 H new ATOM 0 HA SER A 439 9.572 -2.205 -0.182 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.245 -4.121 0.148 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.213 -2.449 -0.377 1.00 0.22 H new ATOM 0 HG SER A 439 8.326 -3.118 -2.320 1.00 0.47 H new ATOM 1569 N HIS A 440 9.128 -2.044 2.304 1.00 0.14 N ATOM 1570 CA HIS A 440 9.250 -1.980 3.763 1.00 0.16 C ATOM 1571 C HIS A 440 7.921 -1.609 4.388 1.00 0.16 C ATOM 1572 O HIS A 440 7.764 -0.520 4.940 1.00 0.21 O ATOM 1573 CB HIS A 440 10.299 -0.951 4.202 1.00 0.22 C ATOM 1574 CG HIS A 440 11.678 -1.206 3.716 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.077 -0.931 2.437 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.773 -1.674 4.361 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.346 -1.218 2.311 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.797 -1.672 3.459 1.00 0.38 N ATOM 0 H HIS A 440 9.056 -1.136 1.844 1.00 0.14 H new ATOM 0 HA HIS A 440 9.563 -2.968 4.099 1.00 0.16 H new ATOM 0 HB2 HIS A 440 9.985 0.034 3.856 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.316 -0.915 5.291 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.826 -1.989 5.393 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.929 -1.101 1.410 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.754 -1.973 3.645 1.00 0.38 H new ATOM 1587 N GLY A 441 6.969 -2.530 4.295 1.00 0.15 N ATOM 1588 CA GLY A 441 5.653 -2.302 4.844 1.00 0.16 C ATOM 1589 C GLY A 441 4.784 -1.547 3.872 1.00 0.15 C ATOM 1590 O GLY A 441 3.589 -1.403 4.070 1.00 0.18 O ATOM 0 H GLY A 441 7.091 -3.437 3.844 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.187 -3.257 5.088 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.736 -1.741 5.775 1.00 0.16 H new ATOM 1594 N CYS A 442 5.399 -1.092 2.804 1.00 0.14 N ATOM 1595 CA CYS A 442 4.730 -0.260 1.828 1.00 0.16 C ATOM 1596 C CYS A 442 4.194 -1.100 0.684 1.00 0.18 C ATOM 1597 O CYS A 442 4.868 -2.000 0.177 1.00 0.28 O ATOM 1598 CB CYS A 442 5.707 0.784 1.319 1.00 0.20 C ATOM 1599 SG CYS A 442 7.203 0.106 0.556 1.00 0.83 S ATOM 0 H CYS A 442 6.376 -1.288 2.587 1.00 0.14 H new ATOM 0 HA CYS A 442 3.881 0.238 2.296 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.198 1.415 0.591 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.998 1.427 2.150 1.00 0.20 H new ATOM 0 HG CYS A 442 7.965 1.080 0.155 1.00 0.83 H new ATOM 1605 N ILE A 443 2.961 -0.814 0.304 1.00 0.13 N ATOM 1606 CA ILE A 443 2.261 -1.598 -0.687 1.00 0.12 C ATOM 1607 C ILE A 443 2.386 -0.958 -2.045 1.00 0.12 C ATOM 1608 O ILE A 443 1.874 0.137 -2.286 1.00 0.15 O ATOM 1609 CB ILE A 443 0.775 -1.789 -0.324 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.631 -2.803 0.817 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.017 -2.244 -1.549 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.383 -2.464 2.078 1.00 0.10 C ATOM 0 H ILE A 443 2.421 -0.032 0.676 1.00 0.13 H new ATOM 0 HA ILE A 443 2.724 -2.584 -0.710 1.00 0.12 H new ATOM 0 HB ILE A 443 0.372 -0.833 0.011 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.427 -2.904 1.060 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.970 -3.776 0.462 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.064 -2.375 -1.277 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.063 -1.492 -2.334 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.385 -3.190 -1.911 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.216 -3.243 2.822 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.448 -2.395 1.859 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.030 -1.509 2.467 1.00 0.10 H new ATOM 1624 N ASN A 444 3.079 -1.653 -2.922 1.00 0.14 N ATOM 1625 CA ASN A 444 3.363 -1.135 -4.240 1.00 0.16 C ATOM 1626 C ASN A 444 2.210 -1.371 -5.202 1.00 0.11 C ATOM 1627 O ASN A 444 2.115 -2.423 -5.832 1.00 0.12 O ATOM 1628 CB ASN A 444 4.667 -1.723 -4.779 1.00 0.30 C ATOM 1629 CG ASN A 444 5.880 -1.170 -4.046 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.534 -0.236 -4.509 1.00 1.56 O ATOM 1631 ND2 ASN A 444 6.189 -1.730 -2.890 1.00 1.77 N ATOM 0 H ASN A 444 3.457 -2.583 -2.743 1.00 0.14 H new ATOM 0 HA ASN A 444 3.486 -0.055 -4.152 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.645 -2.808 -4.679 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.753 -1.502 -5.843 1.00 0.30 H new ATOM 0 HD21 ASN A 444 6.988 -1.389 -2.356 1.00 1.77 H new ATOM 0 HD22 ASN A 444 5.628 -2.503 -2.532 1.00 1.77 H new ATOM 1638 N THR A 445 1.339 -0.380 -5.296 1.00 0.11 N ATOM 1639 CA THR A 445 0.224 -0.396 -6.214 1.00 0.10 C ATOM 1640 C THR A 445 0.632 0.245 -7.517 1.00 0.11 C ATOM 1641 O THR A 445 1.315 1.259 -7.540 1.00 0.14 O ATOM 1642 CB THR A 445 -0.960 0.351 -5.580 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.390 -0.373 -4.429 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.115 0.524 -6.550 1.00 0.14 C ATOM 0 H THR A 445 1.391 0.466 -4.728 1.00 0.11 H new ATOM 0 HA THR A 445 -0.079 -1.423 -6.419 1.00 0.10 H new ATOM 0 HB THR A 445 -0.628 1.351 -5.302 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.305 -0.108 -4.199 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.928 1.057 -6.057 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.780 1.094 -7.416 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.468 -0.455 -6.874 1.00 0.14 H new ATOM 1652 N PRO A 446 0.242 -0.371 -8.621 1.00 0.09 N ATOM 1653 CA PRO A 446 0.570 0.118 -9.941 1.00 0.08 C ATOM 1654 C PRO A 446 0.169 1.567 -10.103 1.00 0.09 C ATOM 1655 O PRO A 446 -0.929 1.951 -9.725 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.244 -0.762 -10.860 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.468 -2.010 -10.079 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.566 -1.588 -8.661 1.00 0.09 C ATOM 0 HA PRO A 446 1.640 0.079 -10.146 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.188 -0.288 -11.130 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.288 -0.965 -11.789 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.379 -2.514 -10.401 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.353 -2.713 -10.222 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.598 -1.396 -8.368 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.179 -2.351 -7.986 1.00 0.09 H new ATOM 1666 N PRO A 447 1.048 2.373 -10.687 1.00 0.09 N ATOM 1667 CA PRO A 447 0.887 3.834 -10.789 1.00 0.09 C ATOM 1668 C PRO A 447 -0.406 4.226 -11.440 1.00 0.09 C ATOM 1669 O PRO A 447 -1.011 5.251 -11.123 1.00 0.16 O ATOM 1670 CB PRO A 447 2.068 4.200 -11.674 1.00 0.10 C ATOM 1671 CG PRO A 447 3.078 3.210 -11.260 1.00 0.10 C ATOM 1672 CD PRO A 447 2.291 1.942 -11.333 1.00 0.09 C ATOM 0 HA PRO A 447 0.863 4.334 -9.821 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.825 4.117 -12.733 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.405 5.223 -11.503 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.940 3.198 -11.927 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.455 3.403 -10.256 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.133 1.609 -12.359 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.773 1.122 -10.802 1.00 0.09 H new ATOM 1680 N SER A 448 -0.835 3.379 -12.333 1.00 0.08 N ATOM 1681 CA SER A 448 -2.039 3.621 -13.063 1.00 0.09 C ATOM 1682 C SER A 448 -3.246 3.255 -12.210 1.00 0.09 C ATOM 1683 O SER A 448 -4.266 3.940 -12.221 1.00 0.11 O ATOM 1684 CB SER A 448 -2.038 2.822 -14.355 1.00 0.11 C ATOM 1685 OG SER A 448 -0.999 3.253 -15.218 1.00 1.17 O ATOM 0 H SER A 448 -0.361 2.508 -12.572 1.00 0.08 H new ATOM 0 HA SER A 448 -2.096 4.680 -13.313 1.00 0.09 H new ATOM 0 HB2 SER A 448 -1.914 1.762 -14.131 1.00 0.11 H new ATOM 0 HB3 SER A 448 -3.000 2.932 -14.855 1.00 0.11 H new ATOM 0 HG SER A 448 -1.017 2.723 -16.042 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.108 2.177 -11.455 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.166 1.712 -10.577 1.00 0.09 C ATOM 1693 C VAL A 449 -4.229 2.534 -9.290 1.00 0.10 C ATOM 1694 O VAL A 449 -5.290 2.699 -8.690 1.00 0.11 O ATOM 1695 CB VAL A 449 -3.951 0.240 -10.227 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.025 -0.234 -9.262 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -3.942 -0.613 -11.483 1.00 0.10 C ATOM 0 H VAL A 449 -2.265 1.604 -11.434 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.110 1.832 -11.108 1.00 0.09 H new ATOM 0 HB VAL A 449 -2.981 0.137 -9.741 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -4.860 -1.284 -9.021 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -4.981 0.359 -8.349 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.006 -0.117 -9.723 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.788 -1.658 -11.212 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.896 -0.509 -12.000 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.136 -0.285 -12.140 1.00 0.10 H new ATOM 1707 N MET A 450 -3.097 3.066 -8.868 1.00 0.10 N ATOM 1708 CA MET A 450 -3.026 3.870 -7.681 1.00 0.11 C ATOM 1709 C MET A 450 -3.802 5.166 -7.877 1.00 0.10 C ATOM 1710 O MET A 450 -4.191 5.820 -6.937 1.00 0.14 O ATOM 1711 CB MET A 450 -1.562 4.122 -7.408 1.00 0.13 C ATOM 1712 CG MET A 450 -1.321 4.763 -6.090 1.00 0.13 C ATOM 1713 SD MET A 450 -2.406 4.141 -4.813 1.00 0.46 S ATOM 1714 CE MET A 450 -2.431 5.585 -3.779 1.00 0.10 C ATOM 0 H MET A 450 -2.204 2.947 -9.346 1.00 0.10 H new ATOM 0 HA MET A 450 -3.478 3.366 -6.827 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.022 3.176 -7.450 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.155 4.757 -8.195 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.285 4.597 -5.794 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.457 5.840 -6.184 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.393 5.652 -3.271 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.634 5.516 -3.039 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.281 6.474 -4.392 1.00 0.10 H new ATOM 1724 N LYS A 451 -4.000 5.509 -9.138 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.785 6.657 -9.563 1.00 0.11 C ATOM 1726 C LYS A 451 -6.256 6.395 -9.444 1.00 0.10 C ATOM 1727 O LYS A 451 -7.078 7.302 -9.343 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.447 6.879 -11.007 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.896 8.202 -11.528 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.963 8.739 -12.576 1.00 0.68 C ATOM 1731 CE LYS A 451 -3.454 7.626 -13.429 1.00 0.63 C ATOM 1732 NZ LYS A 451 -3.269 8.022 -14.850 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.608 4.981 -9.918 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.556 7.520 -8.938 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.368 6.794 -11.136 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.903 6.089 -11.604 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.897 8.106 -11.949 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.964 8.912 -10.704 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -4.481 9.473 -13.193 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -3.128 9.254 -12.101 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.503 7.274 -13.029 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -4.150 6.789 -13.378 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.914 7.209 -15.393 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -4.180 8.332 -15.245 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -2.584 8.802 -14.907 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.558 5.125 -9.507 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.894 4.634 -9.413 1.00 0.08 C ATOM 1748 C GLU A 452 -8.255 4.632 -7.985 1.00 0.07 C ATOM 1749 O GLU A 452 -9.322 5.057 -7.576 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.916 3.220 -9.936 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.327 3.080 -11.303 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.311 3.397 -12.406 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -9.065 2.488 -12.810 1.00 0.38 O ATOM 1754 OE2 GLU A 452 -8.340 4.555 -12.872 1.00 0.31 O1- ATOM 0 H GLU A 452 -5.860 4.391 -9.628 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.591 5.246 -9.986 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.369 2.577 -9.246 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.946 2.864 -9.955 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.466 3.742 -11.391 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.961 2.062 -11.432 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.315 4.109 -7.251 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.363 4.058 -5.850 1.00 0.05 C ATOM 1763 C LEU A 453 -7.304 5.419 -5.226 1.00 0.05 C ATOM 1764 O LEU A 453 -8.242 5.845 -4.608 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.184 3.320 -5.341 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.280 2.965 -3.901 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.432 2.028 -3.697 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -4.988 2.360 -3.437 1.00 0.06 C ATOM 0 H LEU A 453 -6.470 3.695 -7.644 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.305 3.574 -5.591 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.058 2.408 -5.924 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.291 3.925 -5.499 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.458 3.861 -3.307 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.505 1.766 -2.642 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.355 2.512 -4.015 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.274 1.124 -4.285 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.066 2.102 -2.381 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.779 1.460 -4.016 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.179 3.077 -3.577 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.171 6.089 -5.352 1.00 0.07 N ATOM 1781 CA PHE A 454 -6.038 7.438 -4.830 1.00 0.08 C ATOM 1782 C PHE A 454 -7.235 8.254 -5.300 1.00 0.09 C ATOM 1783 O PHE A 454 -7.679 9.213 -4.667 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.751 8.099 -5.324 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.345 9.297 -4.518 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.637 9.153 -3.339 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.676 10.569 -4.947 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.266 10.261 -2.603 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.310 11.680 -4.217 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.584 11.498 -3.011 1.00 0.29 C ATOM 0 H PHE A 454 -5.335 5.724 -5.808 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.999 7.395 -3.742 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.944 7.366 -5.302 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.882 8.398 -6.364 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.372 8.166 -2.991 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.229 10.694 -5.866 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.712 10.129 -1.686 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.571 12.671 -4.557 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.288 12.354 -2.423 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.747 7.800 -6.439 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.879 8.400 -7.070 1.00 0.11 C ATOM 1802 C GLY A 455 -10.182 8.118 -6.326 1.00 0.10 C ATOM 1803 O GLY A 455 -11.111 8.920 -6.383 1.00 0.13 O ATOM 0 H GLY A 455 -7.372 6.996 -6.942 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.727 9.477 -7.133 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.960 8.029 -8.092 1.00 0.11 H new ATOM 1807 N MET A 456 -10.263 6.958 -5.657 1.00 0.08 N ATOM 1808 CA MET A 456 -11.391 6.640 -4.776 1.00 0.09 C ATOM 1809 C MET A 456 -11.145 7.127 -3.358 1.00 0.10 C ATOM 1810 O MET A 456 -11.989 7.772 -2.743 1.00 0.13 O ATOM 1811 CB MET A 456 -11.637 5.128 -4.713 1.00 0.08 C ATOM 1812 CG MET A 456 -10.443 4.280 -5.003 1.00 0.06 C ATOM 1813 SD MET A 456 -10.851 2.610 -5.501 1.00 0.06 S ATOM 1814 CE MET A 456 -11.585 2.926 -7.078 1.00 0.07 C ATOM 0 H MET A 456 -9.557 6.224 -5.711 1.00 0.08 H new ATOM 0 HA MET A 456 -12.260 7.146 -5.197 1.00 0.09 H new ATOM 0 HB2 MET A 456 -12.009 4.877 -3.720 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.425 4.874 -5.422 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.856 4.752 -5.791 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.812 4.241 -4.115 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.784 1.981 -7.583 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.520 3.469 -6.942 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.903 3.524 -7.683 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.972 6.804 -2.862 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.650 6.956 -1.463 1.00 0.10 C ATOM 1826 C VAL A 457 -8.832 8.170 -1.158 1.00 0.17 C ATOM 1827 O VAL A 457 -7.885 8.533 -1.852 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.954 5.700 -0.921 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.056 5.094 -1.977 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.187 5.989 0.359 1.00 0.10 C ATOM 0 H VAL A 457 -9.209 6.425 -3.424 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.605 7.093 -0.957 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.726 4.972 -0.671 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.571 4.205 -1.575 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.652 4.820 -2.848 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.298 5.820 -2.270 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.709 5.075 0.711 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.426 6.745 0.164 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.875 6.355 1.121 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.247 8.759 -0.076 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.667 9.903 0.487 1.00 0.26 C ATOM 1842 C GLU A 458 -8.588 9.684 1.960 1.00 0.15 C ATOM 1843 O GLU A 458 -8.955 8.608 2.438 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.503 11.112 0.173 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.960 10.865 0.415 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.810 12.101 0.225 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -12.132 12.436 -0.934 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -12.150 12.752 1.231 1.00 0.83 O ATOM 0 H GLU A 458 -10.049 8.419 0.455 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.672 10.076 0.078 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -9.171 11.951 0.785 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.352 11.397 -0.868 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.308 10.085 -0.262 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -11.095 10.490 1.430 1.00 0.46 H new ATOM 1855 N LYS A 459 -8.092 10.651 2.680 1.00 0.19 N ATOM 1856 CA LYS A 459 -8.007 10.524 4.085 1.00 0.13 C ATOM 1857 C LYS A 459 -9.297 10.151 4.741 1.00 0.14 C ATOM 1858 O LYS A 459 -10.397 10.346 4.214 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.506 11.782 4.693 1.00 0.14 C ATOM 1860 CG LYS A 459 -6.045 11.894 4.604 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.628 13.098 5.338 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.715 14.283 4.445 1.00 0.20 C ATOM 1863 NZ LYS A 459 -5.032 15.484 4.996 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.743 11.533 2.304 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.309 9.705 4.258 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.966 12.634 4.193 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.810 11.825 5.739 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.570 11.008 5.026 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.732 11.957 3.562 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.263 13.241 6.212 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.608 12.979 5.702 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.276 14.035 3.479 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.764 14.519 4.267 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.128 16.275 4.328 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.466 15.744 5.905 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -4.024 15.274 5.141 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.128 9.608 5.889 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.231 9.099 6.639 1.00 0.19 C ATOM 1879 C GLY A 460 -10.877 7.882 6.019 1.00 0.19 C ATOM 1880 O GLY A 460 -12.027 7.546 6.313 1.00 0.37 O ATOM 0 H GLY A 460 -8.221 9.500 6.343 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -9.891 8.847 7.643 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -10.980 9.883 6.744 1.00 0.19 H new ATOM 1884 N THR A 461 -10.156 7.249 5.127 1.00 0.12 N ATOM 1885 CA THR A 461 -10.485 5.932 4.686 1.00 0.10 C ATOM 1886 C THR A 461 -9.526 4.970 5.356 1.00 0.09 C ATOM 1887 O THR A 461 -8.355 5.291 5.552 1.00 0.12 O ATOM 1888 CB THR A 461 -10.337 5.847 3.167 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.415 6.543 2.528 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.264 4.395 2.665 1.00 0.08 C ATOM 0 H THR A 461 -9.322 7.641 4.689 1.00 0.12 H new ATOM 0 HA THR A 461 -11.514 5.683 4.946 1.00 0.10 H new ATOM 0 HB THR A 461 -9.392 6.322 2.906 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.311 6.485 1.555 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.159 4.390 1.580 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.405 3.897 3.115 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.176 3.867 2.944 1.00 0.08 H new ATOM 1898 N PRO A 462 -9.994 3.809 5.758 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.133 2.787 6.256 1.00 0.10 C ATOM 1900 C PRO A 462 -8.384 2.140 5.143 1.00 0.09 C ATOM 1901 O PRO A 462 -8.729 2.260 3.977 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.056 1.755 6.873 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.402 2.324 6.791 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.373 3.380 5.751 1.00 0.07 C ATOM 0 HA PRO A 462 -8.408 3.194 6.960 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.998 0.808 6.336 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.780 1.552 7.908 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.130 1.554 6.536 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.702 2.740 7.753 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.670 2.994 4.776 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.051 4.199 5.989 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.381 1.442 5.514 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.734 0.543 4.612 1.00 0.14 C ATOM 1914 C VAL A 463 -6.511 -0.741 5.348 1.00 0.12 C ATOM 1915 O VAL A 463 -6.496 -0.781 6.576 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.405 1.056 4.013 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.438 2.548 3.775 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.224 0.678 4.841 1.00 1.09 C ATOM 0 H VAL A 463 -6.977 1.470 6.450 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.387 0.422 3.748 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.295 0.562 3.048 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.486 2.870 3.353 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.242 2.788 3.080 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.610 3.063 4.720 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.316 1.062 4.376 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.329 1.103 5.839 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.163 -0.408 4.913 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.417 -1.785 4.612 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.217 -3.072 5.180 1.00 0.06 C ATOM 1930 C LEU A 464 -5.041 -3.725 4.564 1.00 0.06 C ATOM 1931 O LEU A 464 -4.734 -3.496 3.409 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.426 -3.893 4.885 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.043 -4.595 6.059 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.392 -3.584 7.137 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.259 -5.336 5.577 1.00 0.13 C ATOM 0 H LEU A 464 -6.476 -1.775 3.594 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.051 -2.981 6.253 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.180 -3.247 4.435 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.160 -4.641 4.138 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.344 -5.308 6.497 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.840 -4.099 7.987 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.487 -3.069 7.460 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.100 -2.857 6.739 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.725 -5.855 6.415 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -9.969 -4.629 5.148 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -8.966 -6.062 4.818 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.354 -4.468 5.370 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.380 -5.400 4.910 1.00 0.06 C ATOM 1949 C VAL A 465 -3.460 -6.616 5.810 1.00 0.08 C ATOM 1950 O VAL A 465 -3.807 -6.481 6.986 1.00 0.09 O ATOM 1951 CB VAL A 465 -1.949 -4.815 4.867 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -1.925 -3.327 4.517 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.204 -5.079 6.118 1.00 0.07 C ATOM 0 H VAL A 465 -4.457 -4.443 6.384 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.599 -5.667 3.876 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.439 -5.338 4.058 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.894 -2.973 4.502 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.374 -3.177 3.535 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.489 -2.768 5.264 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.204 -4.651 6.044 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.731 -4.626 6.958 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.127 -6.155 6.275 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.195 -7.788 5.261 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.309 -9.026 6.011 1.00 0.14 C ATOM 1965 C PHE A 466 -2.678 -10.179 5.250 1.00 0.19 C ATOM 1966 O PHE A 466 -2.252 -11.155 5.895 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.774 -9.319 6.317 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.667 -9.290 5.112 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.646 -10.340 4.219 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.521 -8.223 4.869 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.457 -10.335 3.114 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.340 -8.217 3.757 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.326 -9.197 2.896 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.604 -10.101 4.005 1.00 1.08 O ATOM 0 H PHE A 466 -2.898 -7.908 4.293 1.00 0.11 H new ATOM 0 HA PHE A 466 -2.771 -8.912 6.952 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -4.847 -10.300 6.787 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.136 -8.590 7.042 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -4.984 -11.175 4.392 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.545 -7.390 5.556 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.448 -11.163 2.420 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.007 -7.383 3.597 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.961 -9.160 2.023 1.00 0.19 H new TER 1984 PHE A 466