USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1234 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 52 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 460 GLN :FLIP amide:sc= -0.0357 F(o=-1.4,f=-0.4) USER MOD Set 1.3: A 464 MET CE :methyl -171:sc= -0.365 (180deg=-0.447) USER MOD Set 2.1: A 79 LYS NZ :NH3+ -171:sc= 0.584 (180deg=-0.0409) USER MOD Set 2.2: A 451 ASN : amide:sc= 0.703 K(o=1.3,f=-5.1!) USER MOD Set 3.1: A 18 SER OG : rot -19:sc= 0.717 USER MOD Set 3.2: A 40 TYR OH : rot -3:sc= 1.07 USER MOD Set 3.3: A 71 THR OG1 : rot -142:sc= 0.667 USER MOD Set 3.4: A 74 ASN :FLIP amide:sc= 0.663 F(o=2.3,f=3.1) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0275) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.192 X(o=0.19,f=-0.042) USER MOD Single : A 12 GLN : amide:sc= 0.168 K(o=0.17,f=-1.5) USER MOD Single : A 19 GLN : amide:sc= -0.332 X(o=-0.33,f=0) USER MOD Single : A 20 SER OG : rot 83:sc= 1.19 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 43 SER OG : rot 75:sc= 1.24 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 133:sc= -0.522 (180deg=-1.18) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 163:sc= -3.39! (180deg=-3.81!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00397) USER MOD Single : A 70 GLN :FLIP amide:sc=-0.00737 F(o=-0.95,f=-0.0074) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0184 F(o=-0.91,f=-0.018) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0439 X(o=-0.044,f=-0.044) USER MOD Single : A 99 GLN : amide:sc=-0.00248 X(o=-0.0025,f=-0.3) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ 172:sc=-0.00224 (180deg=-0.083) USER MOD Single : A 439 GLN : amide:sc= -0.0459 X(o=-0.046,f=0.086) USER MOD Single : A 441 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 442 GLN :FLIP amide:sc= -0.026 F(o=-0.86,f=-0.026) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -138:sc= -0.77 (180deg=-3.81!) USER MOD Single : A 447 MET CE :methyl -130:sc= -1.04 (180deg=-3.84!) USER MOD Single : A 448 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 449 LYS NZ :NH3+ 177:sc= 0.743 (180deg=0.738) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 453 THR OG1 : rot 151:sc= -1.44! USER MOD Single : A 454 SER OG : rot -80:sc= 0.44 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.917 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 462 THR OG1 : rot 76:sc= 0.489 USER MOD Single : A 465 ASN : amide:sc= -0.666 X(o=-0.67,f=-1.1) USER MOD Single : A 466 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0472) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.682 22.459 20.112 1.00 32.42 N ATOM 2 CA MET A 1 0.061 21.907 18.957 1.00 54.34 C ATOM 3 C MET A 1 -0.822 20.899 18.171 1.00 64.33 C ATOM 4 O MET A 1 -0.716 19.674 18.332 1.00 15.25 O ATOM 5 CB MET A 1 1.413 21.296 19.439 1.00 52.33 C ATOM 6 CG MET A 1 1.303 20.180 20.498 1.00 52.03 C ATOM 7 SD MET A 1 2.914 19.492 20.931 1.00 11.52 S ATOM 8 CE MET A 1 2.446 18.037 21.873 1.00 60.24 C ATOM 0 H1 MET A 1 -0.076 23.131 20.625 1.00 32.42 H new ATOM 0 H2 MET A 1 -1.534 22.950 19.774 1.00 32.42 H new ATOM 0 H3 MET A 1 -0.958 21.685 20.749 1.00 32.42 H new ATOM 0 HA MET A 1 0.305 22.707 18.258 1.00 54.34 H new ATOM 0 HB2 MET A 1 1.940 20.898 18.572 1.00 52.33 H new ATOM 0 HB3 MET A 1 2.029 22.098 19.846 1.00 52.33 H new ATOM 0 HG2 MET A 1 0.826 20.577 21.394 1.00 52.03 H new ATOM 0 HG3 MET A 1 0.660 19.385 20.121 1.00 52.03 H new ATOM 0 HE1 MET A 1 3.341 17.553 22.264 1.00 60.24 H new ATOM 0 HE2 MET A 1 1.801 18.332 22.701 1.00 60.24 H new ATOM 0 HE3 MET A 1 1.911 17.341 21.226 1.00 60.24 H new ATOM 20 N THR A 2 -1.721 21.443 17.322 1.00 21.34 N ATOM 21 CA THR A 2 -2.706 20.643 16.560 1.00 35.53 C ATOM 22 C THR A 2 -2.031 19.770 15.487 1.00 33.40 C ATOM 23 O THR A 2 -2.356 18.585 15.354 1.00 44.23 O ATOM 24 CB THR A 2 -3.781 21.553 15.887 1.00 21.20 C ATOM 25 OG1 THR A 2 -3.127 22.563 15.104 1.00 11.41 O ATOM 26 CG2 THR A 2 -4.710 22.213 16.922 1.00 54.51 C ATOM 0 H THR A 2 -1.785 22.446 17.146 1.00 21.34 H new ATOM 0 HA THR A 2 -3.195 19.989 17.282 1.00 35.53 H new ATOM 0 HB THR A 2 -4.400 20.924 15.248 1.00 21.20 H new ATOM 0 HG1 THR A 2 -3.800 23.135 14.679 1.00 11.41 H new ATOM 0 HG21 THR A 2 -5.442 22.837 16.409 1.00 54.51 H new ATOM 0 HG22 THR A 2 -5.227 21.441 17.491 1.00 54.51 H new ATOM 0 HG23 THR A 2 -4.120 22.829 17.600 1.00 54.51 H new ATOM 34 N SER A 3 -1.087 20.369 14.736 1.00 22.50 N ATOM 35 CA SER A 3 -0.349 19.668 13.669 1.00 61.43 C ATOM 36 C SER A 3 0.561 18.568 14.246 1.00 32.51 C ATOM 37 O SER A 3 0.776 17.530 13.615 1.00 72.03 O ATOM 38 CB SER A 3 0.465 20.670 12.827 1.00 43.34 C ATOM 39 OG SER A 3 -0.388 21.655 12.269 1.00 22.02 O ATOM 0 H SER A 3 -0.816 21.346 14.851 1.00 22.50 H new ATOM 0 HA SER A 3 -1.078 19.184 13.019 1.00 61.43 H new ATOM 0 HB2 SER A 3 1.223 21.146 13.449 1.00 43.34 H new ATOM 0 HB3 SER A 3 0.991 20.143 12.031 1.00 43.34 H new ATOM 0 HG SER A 3 0.143 22.285 11.739 1.00 22.02 H new ATOM 45 N THR A 4 1.071 18.812 15.462 1.00 42.53 N ATOM 46 CA THR A 4 1.937 17.868 16.174 1.00 43.12 C ATOM 47 C THR A 4 1.135 16.666 16.732 1.00 12.43 C ATOM 48 O THR A 4 1.610 15.534 16.678 1.00 73.14 O ATOM 49 CB THR A 4 2.718 18.586 17.320 1.00 32.24 C ATOM 50 OG1 THR A 4 3.486 19.677 16.777 1.00 52.01 O ATOM 51 CG2 THR A 4 3.654 17.634 18.083 1.00 25.23 C ATOM 0 H THR A 4 0.892 19.673 15.979 1.00 42.53 H new ATOM 0 HA THR A 4 2.657 17.480 15.454 1.00 43.12 H new ATOM 0 HB THR A 4 1.978 18.957 18.029 1.00 32.24 H new ATOM 0 HG1 THR A 4 3.973 20.126 17.499 1.00 52.01 H new ATOM 0 HG21 THR A 4 4.172 18.185 18.868 1.00 25.23 H new ATOM 0 HG22 THR A 4 3.070 16.829 18.529 1.00 25.23 H new ATOM 0 HG23 THR A 4 4.385 17.212 17.393 1.00 25.23 H new ATOM 59 N VAL A 5 -0.086 16.905 17.260 1.00 35.12 N ATOM 60 CA VAL A 5 -0.902 15.821 17.856 1.00 75.24 C ATOM 61 C VAL A 5 -1.533 14.927 16.758 1.00 54.44 C ATOM 62 O VAL A 5 -1.630 13.707 16.935 1.00 32.22 O ATOM 63 CB VAL A 5 -1.999 16.358 18.856 1.00 64.42 C ATOM 64 CG1 VAL A 5 -3.066 17.221 18.159 1.00 62.23 C ATOM 65 CG2 VAL A 5 -2.651 15.199 19.657 1.00 23.13 C ATOM 0 H VAL A 5 -0.525 17.826 17.286 1.00 35.12 H new ATOM 0 HA VAL A 5 -0.220 15.209 18.446 1.00 75.24 H new ATOM 0 HB VAL A 5 -1.482 17.009 19.561 1.00 64.42 H new ATOM 0 HG11 VAL A 5 -3.794 17.563 18.894 1.00 62.23 H new ATOM 0 HG12 VAL A 5 -2.589 18.083 17.693 1.00 62.23 H new ATOM 0 HG13 VAL A 5 -3.571 16.629 17.396 1.00 62.23 H new ATOM 0 HG21 VAL A 5 -3.402 15.603 20.336 1.00 23.13 H new ATOM 0 HG22 VAL A 5 -3.125 14.501 18.967 1.00 23.13 H new ATOM 0 HG23 VAL A 5 -1.885 14.678 20.231 1.00 23.13 H new ATOM 75 N GLU A 6 -1.930 15.533 15.612 1.00 30.40 N ATOM 76 CA GLU A 6 -2.454 14.767 14.458 1.00 23.23 C ATOM 77 C GLU A 6 -1.314 13.968 13.805 1.00 11.32 C ATOM 78 O GLU A 6 -1.533 12.872 13.311 1.00 3.34 O ATOM 79 CB GLU A 6 -3.162 15.688 13.426 1.00 64.11 C ATOM 80 CG GLU A 6 -2.257 16.727 12.744 1.00 10.13 C ATOM 81 CD GLU A 6 -3.001 17.689 11.801 1.00 4.31 C ATOM 82 OE1 GLU A 6 -3.859 18.449 12.292 1.00 62.21 O ATOM 83 OE2 GLU A 6 -2.722 17.704 10.575 1.00 73.40 O ATOM 0 H GLU A 6 -1.897 16.542 15.464 1.00 30.40 H new ATOM 0 HA GLU A 6 -3.209 14.070 14.823 1.00 23.23 H new ATOM 0 HB2 GLU A 6 -3.614 15.063 12.656 1.00 64.11 H new ATOM 0 HB3 GLU A 6 -3.975 16.212 13.929 1.00 64.11 H new ATOM 0 HG2 GLU A 6 -1.749 17.310 13.512 1.00 10.13 H new ATOM 0 HG3 GLU A 6 -1.486 16.205 12.178 1.00 10.13 H new ATOM 90 N PHE A 7 -0.095 14.539 13.824 1.00 13.33 N ATOM 91 CA PHE A 7 1.147 13.823 13.474 1.00 3.12 C ATOM 92 C PHE A 7 1.259 12.511 14.300 1.00 33.24 C ATOM 93 O PHE A 7 1.356 11.432 13.721 1.00 44.11 O ATOM 94 CB PHE A 7 2.344 14.793 13.705 1.00 4.24 C ATOM 95 CG PHE A 7 3.753 14.217 13.619 1.00 53.05 C ATOM 96 CD1 PHE A 7 4.470 14.224 12.423 1.00 0.52 C ATOM 97 CD2 PHE A 7 4.381 13.701 14.753 1.00 4.53 C ATOM 98 CE1 PHE A 7 5.765 13.737 12.378 1.00 41.14 C ATOM 99 CE2 PHE A 7 5.663 13.213 14.692 1.00 54.32 C ATOM 100 CZ PHE A 7 6.355 13.232 13.508 1.00 72.12 C ATOM 0 H PHE A 7 0.057 15.514 14.083 1.00 13.33 H new ATOM 0 HA PHE A 7 1.148 13.522 12.426 1.00 3.12 H new ATOM 0 HB2 PHE A 7 2.267 15.600 12.976 1.00 4.24 H new ATOM 0 HB3 PHE A 7 2.225 15.242 14.691 1.00 4.24 H new ATOM 0 HD1 PHE A 7 4.012 14.612 11.525 1.00 0.52 H new ATOM 0 HD2 PHE A 7 3.850 13.685 15.694 1.00 4.53 H new ATOM 0 HE1 PHE A 7 6.314 13.755 11.448 1.00 41.14 H new ATOM 0 HE2 PHE A 7 6.129 12.812 15.580 1.00 54.32 H new ATOM 0 HZ PHE A 7 7.364 12.849 13.466 1.00 72.12 H new ATOM 110 N ILE A 8 1.145 12.628 15.648 1.00 3.05 N ATOM 111 CA ILE A 8 1.234 11.479 16.587 1.00 45.24 C ATOM 112 C ILE A 8 0.182 10.390 16.255 1.00 32.33 C ATOM 113 O ILE A 8 0.537 9.254 15.911 1.00 63.50 O ATOM 114 CB ILE A 8 1.023 11.931 18.086 1.00 21.22 C ATOM 115 CG1 ILE A 8 2.066 13.001 18.515 1.00 45.04 C ATOM 116 CG2 ILE A 8 1.061 10.716 19.048 1.00 15.33 C ATOM 117 CD1 ILE A 8 1.808 13.623 19.881 1.00 41.11 C ATOM 0 H ILE A 8 0.989 13.521 16.115 1.00 3.05 H new ATOM 0 HA ILE A 8 2.237 11.069 16.469 1.00 45.24 H new ATOM 0 HB ILE A 8 0.034 12.386 18.148 1.00 21.22 H new ATOM 0 HG12 ILE A 8 3.056 12.544 18.519 1.00 45.04 H new ATOM 0 HG13 ILE A 8 2.084 13.793 17.767 1.00 45.04 H new ATOM 0 HG21 ILE A 8 0.913 11.058 20.072 1.00 15.33 H new ATOM 0 HG22 ILE A 8 0.269 10.016 18.781 1.00 15.33 H new ATOM 0 HG23 ILE A 8 2.028 10.218 18.968 1.00 15.33 H new ATOM 0 HD11 ILE A 8 2.583 14.357 20.099 1.00 41.11 H new ATOM 0 HD12 ILE A 8 0.834 14.113 19.880 1.00 41.11 H new ATOM 0 HD13 ILE A 8 1.821 12.844 20.644 1.00 41.11 H new ATOM 129 N ASN A 9 -1.114 10.774 16.359 1.00 14.10 N ATOM 130 CA ASN A 9 -2.257 9.847 16.230 1.00 41.14 C ATOM 131 C ASN A 9 -2.316 9.175 14.854 1.00 32.02 C ATOM 132 O ASN A 9 -2.635 7.990 14.771 1.00 33.35 O ATOM 133 CB ASN A 9 -3.617 10.551 16.519 1.00 1.23 C ATOM 134 CG ASN A 9 -3.816 10.865 17.999 1.00 40.34 C ATOM 135 OD1 ASN A 9 -4.257 10.008 18.768 1.00 2.41 O ATOM 136 ND2 ASN A 9 -3.522 12.087 18.409 1.00 10.30 N ATOM 0 H ASN A 9 -1.393 11.739 16.535 1.00 14.10 H new ATOM 0 HA ASN A 9 -2.092 9.076 16.982 1.00 41.14 H new ATOM 0 HB2 ASN A 9 -3.671 11.476 15.945 1.00 1.23 H new ATOM 0 HB3 ASN A 9 -4.431 9.914 16.174 1.00 1.23 H new ATOM 0 HD21 ASN A 9 -3.658 12.344 19.387 1.00 10.30 H new ATOM 0 HD22 ASN A 9 -3.159 12.773 17.748 1.00 10.30 H new ATOM 143 N ARG A 10 -2.017 9.930 13.783 1.00 3.33 N ATOM 144 CA ARG A 10 -2.138 9.401 12.410 1.00 72.23 C ATOM 145 C ARG A 10 -0.969 8.471 12.062 1.00 64.24 C ATOM 146 O ARG A 10 -1.187 7.512 11.349 1.00 63.04 O ATOM 147 CB ARG A 10 -2.285 10.525 11.364 1.00 71.32 C ATOM 148 CG ARG A 10 -3.556 11.386 11.535 1.00 21.24 C ATOM 149 CD ARG A 10 -3.607 12.546 10.530 1.00 45.51 C ATOM 150 NE ARG A 10 -2.364 13.346 10.545 1.00 22.41 N ATOM 151 CZ ARG A 10 -2.178 14.526 9.927 1.00 64.02 C ATOM 152 NH1 ARG A 10 -3.153 15.094 9.219 1.00 14.11 N ATOM 153 NH2 ARG A 10 -1.007 15.140 10.021 1.00 41.12 N ATOM 0 H ARG A 10 -1.694 10.896 13.837 1.00 3.33 H new ATOM 0 HA ARG A 10 -3.055 8.812 12.379 1.00 72.23 H new ATOM 0 HB2 ARG A 10 -1.410 11.173 11.418 1.00 71.32 H new ATOM 0 HB3 ARG A 10 -2.291 10.081 10.368 1.00 71.32 H new ATOM 0 HG2 ARG A 10 -4.438 10.758 11.409 1.00 21.24 H new ATOM 0 HG3 ARG A 10 -3.590 11.784 12.549 1.00 21.24 H new ATOM 0 HD2 ARG A 10 -3.772 12.150 9.528 1.00 45.51 H new ATOM 0 HD3 ARG A 10 -4.455 13.190 10.762 1.00 45.51 H new ATOM 0 HE ARG A 10 -1.576 12.969 11.072 1.00 22.41 H new ATOM 0 HH11 ARG A 10 -4.060 14.634 9.139 1.00 14.11 H new ATOM 0 HH12 ARG A 10 -2.993 15.989 8.757 1.00 14.11 H new ATOM 0 HH21 ARG A 10 -0.251 14.717 10.560 1.00 41.12 H new ATOM 0 HH22 ARG A 10 -0.862 16.035 9.554 1.00 41.12 H new ATOM 167 N TRP A 11 0.264 8.742 12.575 1.00 11.13 N ATOM 168 CA TRP A 11 1.400 7.777 12.453 1.00 41.42 C ATOM 169 C TRP A 11 1.054 6.461 13.171 1.00 13.13 C ATOM 170 O TRP A 11 1.379 5.367 12.683 1.00 63.41 O ATOM 171 CB TRP A 11 2.742 8.341 13.013 1.00 54.22 C ATOM 172 CG TRP A 11 3.489 9.262 12.067 1.00 34.45 C ATOM 173 CD1 TRP A 11 3.781 10.579 12.251 1.00 14.01 C ATOM 174 CD2 TRP A 11 4.063 8.916 10.792 1.00 13.21 C ATOM 175 NE1 TRP A 11 4.478 11.071 11.185 1.00 55.30 N ATOM 176 CE2 TRP A 11 4.664 10.079 10.279 1.00 71.22 C ATOM 177 CE3 TRP A 11 4.115 7.745 10.028 1.00 60.32 C ATOM 178 CZ2 TRP A 11 5.323 10.109 9.059 1.00 34.53 C ATOM 179 CZ3 TRP A 11 4.765 7.775 8.809 1.00 63.24 C ATOM 180 CH2 TRP A 11 5.357 8.956 8.339 1.00 42.33 C ATOM 0 H TRP A 11 0.497 9.604 13.069 1.00 11.13 H new ATOM 0 HA TRP A 11 1.546 7.599 11.388 1.00 41.42 H new ATOM 0 HB2 TRP A 11 2.535 8.882 13.937 1.00 54.22 H new ATOM 0 HB3 TRP A 11 3.391 7.505 13.272 1.00 54.22 H new ATOM 0 HD1 TRP A 11 3.500 11.155 13.120 1.00 14.01 H new ATOM 0 HE1 TRP A 11 4.806 12.032 11.086 1.00 55.30 H new ATOM 0 HE3 TRP A 11 3.656 6.835 10.384 1.00 60.32 H new ATOM 0 HZ2 TRP A 11 5.791 11.012 8.695 1.00 34.53 H new ATOM 0 HZ3 TRP A 11 4.818 6.877 8.211 1.00 63.24 H new ATOM 0 HH2 TRP A 11 5.853 8.950 7.380 1.00 42.33 H new ATOM 191 N GLN A 12 0.389 6.596 14.336 1.00 53.13 N ATOM 192 CA GLN A 12 -0.173 5.464 15.081 1.00 63.42 C ATOM 193 C GLN A 12 -1.166 4.683 14.203 1.00 51.30 C ATOM 194 O GLN A 12 -1.096 3.458 14.141 1.00 33.21 O ATOM 195 CB GLN A 12 -0.849 5.958 16.388 1.00 11.43 C ATOM 196 CG GLN A 12 -1.488 4.853 17.255 1.00 21.40 C ATOM 197 CD GLN A 12 -2.109 5.375 18.552 1.00 71.41 C ATOM 198 OE1 GLN A 12 -2.574 6.518 18.624 1.00 53.02 O ATOM 199 NE2 GLN A 12 -2.142 4.545 19.578 1.00 44.42 N ATOM 0 H GLN A 12 0.229 7.498 14.784 1.00 53.13 H new ATOM 0 HA GLN A 12 0.637 4.788 15.355 1.00 63.42 H new ATOM 0 HB2 GLN A 12 -0.105 6.483 16.987 1.00 11.43 H new ATOM 0 HB3 GLN A 12 -1.619 6.684 16.128 1.00 11.43 H new ATOM 0 HG2 GLN A 12 -2.257 4.345 16.673 1.00 21.40 H new ATOM 0 HG3 GLN A 12 -0.729 4.110 17.499 1.00 21.40 H new ATOM 0 HE21 GLN A 12 -1.750 3.608 19.488 1.00 44.42 H new ATOM 0 HE22 GLN A 12 -2.559 4.841 20.460 1.00 44.42 H new ATOM 208 N ARG A 13 -2.052 5.417 13.477 1.00 34.34 N ATOM 209 CA ARG A 13 -3.023 4.802 12.549 1.00 61.11 C ATOM 210 C ARG A 13 -2.289 4.068 11.416 1.00 14.24 C ATOM 211 O ARG A 13 -2.658 2.966 11.082 1.00 33.03 O ATOM 212 CB ARG A 13 -4.004 5.842 11.928 1.00 43.10 C ATOM 213 CG ARG A 13 -4.820 6.671 12.941 1.00 25.01 C ATOM 214 CD ARG A 13 -5.646 5.820 13.926 1.00 2.21 C ATOM 215 NE ARG A 13 -6.267 6.665 14.965 1.00 71.21 N ATOM 216 CZ ARG A 13 -5.838 6.776 16.234 1.00 21.20 C ATOM 217 NH1 ARG A 13 -4.781 6.089 16.665 1.00 43.12 N ATOM 218 NH2 ARG A 13 -6.455 7.600 17.066 1.00 71.21 N ATOM 0 H ARG A 13 -2.109 6.434 13.521 1.00 34.34 H new ATOM 0 HA ARG A 13 -3.610 4.098 13.139 1.00 61.11 H new ATOM 0 HB2 ARG A 13 -3.432 6.526 11.302 1.00 43.10 H new ATOM 0 HB3 ARG A 13 -4.698 5.315 11.273 1.00 43.10 H new ATOM 0 HG2 ARG A 13 -4.139 7.306 13.508 1.00 25.01 H new ATOM 0 HG3 ARG A 13 -5.493 7.333 12.395 1.00 25.01 H new ATOM 0 HD2 ARG A 13 -6.420 5.278 13.383 1.00 2.21 H new ATOM 0 HD3 ARG A 13 -5.004 5.074 14.395 1.00 2.21 H new ATOM 0 HE ARG A 13 -7.088 7.209 14.698 1.00 71.21 H new ATOM 0 HH11 ARG A 13 -4.283 5.466 16.029 1.00 43.12 H new ATOM 0 HH12 ARG A 13 -4.469 6.186 17.631 1.00 43.12 H new ATOM 0 HH21 ARG A 13 -7.253 8.148 16.743 1.00 71.21 H new ATOM 0 HH22 ARG A 13 -6.133 7.687 18.030 1.00 71.21 H new ATOM 232 N ILE A 14 -1.222 4.691 10.875 1.00 62.34 N ATOM 233 CA ILE A 14 -0.452 4.158 9.727 1.00 11.35 C ATOM 234 C ILE A 14 0.143 2.769 10.052 1.00 32.13 C ATOM 235 O ILE A 14 0.019 1.848 9.253 1.00 22.44 O ATOM 236 CB ILE A 14 0.679 5.178 9.288 1.00 31.43 C ATOM 237 CG1 ILE A 14 0.045 6.493 8.755 1.00 72.32 C ATOM 238 CG2 ILE A 14 1.632 4.586 8.226 1.00 4.22 C ATOM 239 CD1 ILE A 14 1.012 7.637 8.517 1.00 23.21 C ATOM 0 H ILE A 14 -0.867 5.582 11.222 1.00 62.34 H new ATOM 0 HA ILE A 14 -1.137 4.034 8.888 1.00 11.35 H new ATOM 0 HB ILE A 14 1.274 5.391 10.176 1.00 31.43 H new ATOM 0 HG12 ILE A 14 -0.469 6.274 7.819 1.00 72.32 H new ATOM 0 HG13 ILE A 14 -0.713 6.824 9.465 1.00 72.32 H new ATOM 0 HG21 ILE A 14 2.387 5.326 7.961 1.00 4.22 H new ATOM 0 HG22 ILE A 14 2.120 3.699 8.629 1.00 4.22 H new ATOM 0 HG23 ILE A 14 1.063 4.315 7.337 1.00 4.22 H new ATOM 0 HD11 ILE A 14 0.466 8.504 8.146 1.00 23.21 H new ATOM 0 HD12 ILE A 14 1.509 7.894 9.452 1.00 23.21 H new ATOM 0 HD13 ILE A 14 1.757 7.336 7.781 1.00 23.21 H new ATOM 251 N ALA A 15 0.723 2.628 11.260 1.00 32.43 N ATOM 252 CA ALA A 15 1.341 1.361 11.710 1.00 21.31 C ATOM 253 C ALA A 15 0.287 0.281 12.040 1.00 10.41 C ATOM 254 O ALA A 15 0.492 -0.906 11.746 1.00 72.01 O ATOM 255 CB ALA A 15 2.237 1.606 12.921 1.00 42.13 C ATOM 0 H ALA A 15 0.777 3.380 11.947 1.00 32.43 H new ATOM 0 HA ALA A 15 1.944 0.987 10.883 1.00 21.31 H new ATOM 0 HB1 ALA A 15 2.684 0.664 13.239 1.00 42.13 H new ATOM 0 HB2 ALA A 15 3.025 2.310 12.654 1.00 42.13 H new ATOM 0 HB3 ALA A 15 1.643 2.019 13.736 1.00 42.13 H new ATOM 261 N LEU A 16 -0.835 0.702 12.667 1.00 75.51 N ATOM 262 CA LEU A 16 -1.946 -0.210 13.016 1.00 13.05 C ATOM 263 C LEU A 16 -2.638 -0.733 11.744 1.00 44.44 C ATOM 264 O LEU A 16 -2.967 -1.918 11.651 1.00 33.13 O ATOM 265 CB LEU A 16 -2.978 0.500 13.942 1.00 24.41 C ATOM 266 CG LEU A 16 -2.459 0.906 15.360 1.00 31.24 C ATOM 267 CD1 LEU A 16 -3.530 1.694 16.146 1.00 31.21 C ATOM 268 CD2 LEU A 16 -1.968 -0.327 16.153 1.00 33.54 C ATOM 0 H LEU A 16 -0.994 1.671 12.942 1.00 75.51 H new ATOM 0 HA LEU A 16 -1.528 -1.059 13.558 1.00 13.05 H new ATOM 0 HB2 LEU A 16 -3.333 1.398 13.436 1.00 24.41 H new ATOM 0 HB3 LEU A 16 -3.838 -0.158 14.066 1.00 24.41 H new ATOM 0 HG LEU A 16 -1.604 1.567 15.221 1.00 31.24 H new ATOM 0 HD11 LEU A 16 -3.138 1.961 17.127 1.00 31.21 H new ATOM 0 HD12 LEU A 16 -3.789 2.601 15.599 1.00 31.21 H new ATOM 0 HD13 LEU A 16 -4.420 1.077 16.267 1.00 31.21 H new ATOM 0 HD21 LEU A 16 -1.614 -0.011 17.134 1.00 33.54 H new ATOM 0 HD22 LEU A 16 -2.790 -1.033 16.274 1.00 33.54 H new ATOM 0 HD23 LEU A 16 -1.154 -0.808 15.611 1.00 33.54 H new ATOM 280 N LEU A 17 -2.809 0.166 10.756 1.00 3.45 N ATOM 281 CA LEU A 17 -3.465 -0.153 9.480 1.00 2.10 C ATOM 282 C LEU A 17 -2.571 -1.071 8.655 1.00 1.01 C ATOM 283 O LEU A 17 -3.039 -2.107 8.217 1.00 23.03 O ATOM 284 CB LEU A 17 -3.843 1.130 8.674 1.00 4.43 C ATOM 285 CG LEU A 17 -4.966 2.012 9.306 1.00 23.22 C ATOM 286 CD1 LEU A 17 -5.257 3.263 8.454 1.00 21.02 C ATOM 287 CD2 LEU A 17 -6.243 1.191 9.567 1.00 72.21 C ATOM 0 H LEU A 17 -2.495 1.134 10.823 1.00 3.45 H new ATOM 0 HA LEU A 17 -4.399 -0.668 9.704 1.00 2.10 H new ATOM 0 HB2 LEU A 17 -2.948 1.741 8.556 1.00 4.43 H new ATOM 0 HB3 LEU A 17 -4.159 0.831 7.675 1.00 4.43 H new ATOM 0 HG LEU A 17 -4.600 2.362 10.271 1.00 23.22 H new ATOM 0 HD11 LEU A 17 -6.044 3.850 8.927 1.00 21.02 H new ATOM 0 HD12 LEU A 17 -4.353 3.866 8.373 1.00 21.02 H new ATOM 0 HD13 LEU A 17 -5.580 2.958 7.459 1.00 21.02 H new ATOM 0 HD21 LEU A 17 -7.005 1.834 10.007 1.00 72.21 H new ATOM 0 HD22 LEU A 17 -6.612 0.783 8.626 1.00 72.21 H new ATOM 0 HD23 LEU A 17 -6.017 0.375 10.253 1.00 72.21 H new ATOM 299 N SER A 18 -1.273 -0.707 8.520 1.00 61.42 N ATOM 300 CA SER A 18 -0.284 -1.486 7.744 1.00 41.22 C ATOM 301 C SER A 18 -0.204 -2.933 8.237 1.00 23.12 C ATOM 302 O SER A 18 -0.175 -3.854 7.429 1.00 51.24 O ATOM 303 CB SER A 18 1.116 -0.840 7.818 1.00 20.11 C ATOM 304 OG SER A 18 1.560 -0.713 9.155 1.00 64.31 O ATOM 0 H SER A 18 -0.885 0.134 8.946 1.00 61.42 H new ATOM 0 HA SER A 18 -0.621 -1.486 6.707 1.00 41.22 H new ATOM 0 HB2 SER A 18 1.827 -1.444 7.254 1.00 20.11 H new ATOM 0 HB3 SER A 18 1.089 0.143 7.348 1.00 20.11 H new ATOM 0 HG SER A 18 0.793 -0.775 9.762 1.00 64.31 H new ATOM 310 N GLN A 19 -0.191 -3.099 9.574 1.00 4.31 N ATOM 311 CA GLN A 19 -0.144 -4.416 10.226 1.00 13.11 C ATOM 312 C GLN A 19 -1.425 -5.218 9.927 1.00 14.43 C ATOM 313 O GLN A 19 -1.352 -6.399 9.559 1.00 25.22 O ATOM 314 CB GLN A 19 0.060 -4.249 11.756 1.00 21.24 C ATOM 315 CG GLN A 19 0.156 -5.574 12.541 1.00 40.01 C ATOM 316 CD GLN A 19 0.459 -5.409 14.036 1.00 62.33 C ATOM 317 OE1 GLN A 19 1.098 -6.271 14.646 1.00 4.34 O ATOM 318 NE2 GLN A 19 -0.016 -4.328 14.654 1.00 31.01 N ATOM 0 H GLN A 19 -0.213 -2.319 10.231 1.00 4.31 H new ATOM 0 HA GLN A 19 0.702 -4.974 9.824 1.00 13.11 H new ATOM 0 HB2 GLN A 19 0.970 -3.674 11.927 1.00 21.24 H new ATOM 0 HB3 GLN A 19 -0.767 -3.663 12.158 1.00 21.24 H new ATOM 0 HG2 GLN A 19 -0.784 -6.115 12.432 1.00 40.01 H new ATOM 0 HG3 GLN A 19 0.934 -6.192 12.092 1.00 40.01 H new ATOM 0 HE21 GLN A 19 -0.541 -3.629 14.128 1.00 31.01 H new ATOM 0 HE22 GLN A 19 0.146 -4.199 15.653 1.00 31.01 H new ATOM 327 N SER A 20 -2.591 -4.546 10.050 1.00 35.51 N ATOM 328 CA SER A 20 -3.904 -5.169 9.812 1.00 62.33 C ATOM 329 C SER A 20 -4.026 -5.663 8.359 1.00 75.21 C ATOM 330 O SER A 20 -4.147 -6.867 8.123 1.00 34.13 O ATOM 331 CB SER A 20 -5.050 -4.182 10.152 1.00 72.44 C ATOM 332 OG SER A 20 -5.000 -3.787 11.514 1.00 45.33 O ATOM 0 H SER A 20 -2.645 -3.563 10.316 1.00 35.51 H new ATOM 0 HA SER A 20 -3.989 -6.033 10.470 1.00 62.33 H new ATOM 0 HB2 SER A 20 -4.977 -3.302 9.513 1.00 72.44 H new ATOM 0 HB3 SER A 20 -6.011 -4.651 9.942 1.00 72.44 H new ATOM 0 HG SER A 20 -4.360 -3.053 11.618 1.00 45.33 H new ATOM 338 N LEU A 21 -3.911 -4.727 7.392 1.00 20.02 N ATOM 339 CA LEU A 21 -4.090 -5.011 5.956 1.00 4.42 C ATOM 340 C LEU A 21 -2.977 -5.917 5.404 1.00 21.22 C ATOM 341 O LEU A 21 -3.164 -6.543 4.360 1.00 34.33 O ATOM 342 CB LEU A 21 -4.270 -3.692 5.137 1.00 21.31 C ATOM 343 CG LEU A 21 -3.126 -2.614 5.200 1.00 63.51 C ATOM 344 CD1 LEU A 21 -1.912 -2.975 4.339 1.00 32.31 C ATOM 345 CD2 LEU A 21 -3.649 -1.208 4.848 1.00 64.22 C ATOM 0 H LEU A 21 -3.691 -3.751 7.589 1.00 20.02 H new ATOM 0 HA LEU A 21 -5.014 -5.577 5.841 1.00 4.42 H new ATOM 0 HB2 LEU A 21 -4.411 -3.966 4.092 1.00 21.31 H new ATOM 0 HB3 LEU A 21 -5.193 -3.217 5.470 1.00 21.31 H new ATOM 0 HG LEU A 21 -2.785 -2.603 6.235 1.00 63.51 H new ATOM 0 HD11 LEU A 21 -1.159 -2.192 4.426 1.00 32.31 H new ATOM 0 HD12 LEU A 21 -1.492 -3.921 4.680 1.00 32.31 H new ATOM 0 HD13 LEU A 21 -2.220 -3.069 3.298 1.00 32.31 H new ATOM 0 HD21 LEU A 21 -2.830 -0.491 4.902 1.00 64.22 H new ATOM 0 HD22 LEU A 21 -4.059 -1.215 3.838 1.00 64.22 H new ATOM 0 HD23 LEU A 21 -4.429 -0.922 5.554 1.00 64.22 H new ATOM 357 N LEU A 22 -1.821 -5.971 6.102 1.00 43.12 N ATOM 358 CA LEU A 22 -0.754 -6.943 5.804 1.00 61.54 C ATOM 359 C LEU A 22 -1.276 -8.359 6.027 1.00 41.15 C ATOM 360 O LEU A 22 -1.224 -9.190 5.126 1.00 10.13 O ATOM 361 CB LEU A 22 0.492 -6.723 6.701 1.00 60.54 C ATOM 362 CG LEU A 22 1.632 -7.779 6.546 1.00 61.32 C ATOM 363 CD1 LEU A 22 2.242 -7.747 5.131 1.00 3.40 C ATOM 364 CD2 LEU A 22 2.701 -7.603 7.638 1.00 0.40 C ATOM 0 H LEU A 22 -1.606 -5.347 6.880 1.00 43.12 H new ATOM 0 HA LEU A 22 -0.459 -6.801 4.764 1.00 61.54 H new ATOM 0 HB2 LEU A 22 0.903 -5.737 6.485 1.00 60.54 H new ATOM 0 HB3 LEU A 22 0.170 -6.713 7.742 1.00 60.54 H new ATOM 0 HG LEU A 22 1.192 -8.768 6.679 1.00 61.32 H new ATOM 0 HD11 LEU A 22 3.032 -8.494 5.058 1.00 3.40 H new ATOM 0 HD12 LEU A 22 1.467 -7.965 4.396 1.00 3.40 H new ATOM 0 HD13 LEU A 22 2.659 -6.759 4.937 1.00 3.40 H new ATOM 0 HD21 LEU A 22 3.483 -8.351 7.506 1.00 0.40 H new ATOM 0 HD22 LEU A 22 3.136 -6.606 7.564 1.00 0.40 H new ATOM 0 HD23 LEU A 22 2.243 -7.726 8.619 1.00 0.40 H new ATOM 376 N GLU A 23 -1.786 -8.596 7.250 1.00 44.24 N ATOM 377 CA GLU A 23 -2.298 -9.906 7.678 1.00 30.01 C ATOM 378 C GLU A 23 -3.561 -10.293 6.890 1.00 25.42 C ATOM 379 O GLU A 23 -3.829 -11.474 6.697 1.00 62.21 O ATOM 380 CB GLU A 23 -2.555 -9.885 9.209 1.00 31.44 C ATOM 381 CG GLU A 23 -1.279 -9.592 10.032 1.00 61.41 C ATOM 382 CD GLU A 23 -1.513 -9.548 11.546 1.00 62.30 C ATOM 383 OE1 GLU A 23 -1.139 -10.511 12.259 1.00 32.23 O ATOM 384 OE2 GLU A 23 -2.079 -8.551 12.034 1.00 31.53 O ATOM 0 H GLU A 23 -1.854 -7.878 7.971 1.00 44.24 H new ATOM 0 HA GLU A 23 -1.551 -10.670 7.464 1.00 30.01 H new ATOM 0 HB2 GLU A 23 -3.308 -9.130 9.435 1.00 31.44 H new ATOM 0 HB3 GLU A 23 -2.966 -10.847 9.516 1.00 31.44 H new ATOM 0 HG2 GLU A 23 -0.533 -10.356 9.812 1.00 61.41 H new ATOM 0 HG3 GLU A 23 -0.862 -8.637 9.711 1.00 61.41 H new ATOM 391 N LEU A 24 -4.308 -9.274 6.415 1.00 11.42 N ATOM 392 CA LEU A 24 -5.495 -9.460 5.554 1.00 40.53 C ATOM 393 C LEU A 24 -5.066 -9.921 4.143 1.00 71.54 C ATOM 394 O LEU A 24 -5.570 -10.923 3.645 1.00 42.40 O ATOM 395 CB LEU A 24 -6.324 -8.145 5.499 1.00 24.10 C ATOM 396 CG LEU A 24 -6.929 -7.689 6.868 1.00 55.24 C ATOM 397 CD1 LEU A 24 -7.530 -6.271 6.780 1.00 12.14 C ATOM 398 CD2 LEU A 24 -7.957 -8.713 7.394 1.00 23.34 C ATOM 0 H LEU A 24 -4.104 -8.296 6.619 1.00 11.42 H new ATOM 0 HA LEU A 24 -6.129 -10.239 5.978 1.00 40.53 H new ATOM 0 HB2 LEU A 24 -5.687 -7.347 5.116 1.00 24.10 H new ATOM 0 HB3 LEU A 24 -7.137 -8.275 4.785 1.00 24.10 H new ATOM 0 HG LEU A 24 -6.113 -7.645 7.589 1.00 55.24 H new ATOM 0 HD11 LEU A 24 -7.940 -5.989 7.750 1.00 12.14 H new ATOM 0 HD12 LEU A 24 -6.752 -5.563 6.496 1.00 12.14 H new ATOM 0 HD13 LEU A 24 -8.323 -6.258 6.033 1.00 12.14 H new ATOM 0 HD21 LEU A 24 -8.360 -8.368 8.346 1.00 23.34 H new ATOM 0 HD22 LEU A 24 -8.768 -8.817 6.674 1.00 23.34 H new ATOM 0 HD23 LEU A 24 -7.470 -9.678 7.534 1.00 23.34 H new ATOM 410 N ALA A 25 -4.094 -9.202 3.543 1.00 31.01 N ATOM 411 CA ALA A 25 -3.527 -9.531 2.206 1.00 74.43 C ATOM 412 C ALA A 25 -2.855 -10.915 2.204 1.00 53.24 C ATOM 413 O ALA A 25 -2.937 -11.661 1.226 1.00 50.24 O ATOM 414 CB ALA A 25 -2.502 -8.461 1.787 1.00 31.35 C ATOM 0 H ALA A 25 -3.676 -8.374 3.968 1.00 31.01 H new ATOM 0 HA ALA A 25 -4.351 -9.550 1.493 1.00 74.43 H new ATOM 0 HB1 ALA A 25 -2.094 -8.712 0.808 1.00 31.35 H new ATOM 0 HB2 ALA A 25 -2.991 -7.488 1.738 1.00 31.35 H new ATOM 0 HB3 ALA A 25 -1.694 -8.425 2.518 1.00 31.35 H new ATOM 420 N GLN A 26 -2.205 -11.219 3.332 1.00 65.45 N ATOM 421 CA GLN A 26 -1.482 -12.478 3.567 1.00 3.44 C ATOM 422 C GLN A 26 -2.468 -13.652 3.678 1.00 40.43 C ATOM 423 O GLN A 26 -2.259 -14.714 3.091 1.00 20.51 O ATOM 424 CB GLN A 26 -0.654 -12.315 4.864 1.00 10.32 C ATOM 425 CG GLN A 26 0.208 -13.519 5.266 1.00 21.31 C ATOM 426 CD GLN A 26 1.006 -13.291 6.559 1.00 13.04 C ATOM 427 OE1 GLN A 26 1.449 -12.059 6.807 1.00 63.14 O flip ATOM 428 NE2 GLN A 26 1.246 -14.226 7.322 1.00 24.02 N flip ATOM 0 H GLN A 26 -2.165 -10.582 4.128 1.00 65.45 H new ATOM 0 HA GLN A 26 -0.817 -12.698 2.732 1.00 3.44 H new ATOM 0 HB2 GLN A 26 -0.002 -11.449 4.749 1.00 10.32 H new ATOM 0 HB3 GLN A 26 -1.338 -12.093 5.683 1.00 10.32 H new ATOM 0 HG2 GLN A 26 -0.434 -14.391 5.393 1.00 21.31 H new ATOM 0 HG3 GLN A 26 0.900 -13.748 4.456 1.00 21.31 H new ATOM 0 HE21 GLN A 26 0.896 -15.160 7.110 1.00 24.02 H new ATOM 0 HE22 GLN A 26 1.795 -14.067 8.167 1.00 24.02 H new ATOM 437 N ARG A 27 -3.564 -13.417 4.414 1.00 65.21 N ATOM 438 CA ARG A 27 -4.647 -14.404 4.612 1.00 21.24 C ATOM 439 C ARG A 27 -5.563 -14.448 3.353 1.00 13.33 C ATOM 440 O ARG A 27 -6.413 -15.332 3.227 1.00 14.23 O ATOM 441 CB ARG A 27 -5.450 -14.052 5.918 1.00 32.12 C ATOM 442 CG ARG A 27 -5.735 -15.230 6.883 1.00 51.05 C ATOM 443 CD ARG A 27 -6.614 -16.330 6.270 1.00 52.11 C ATOM 444 NE ARG A 27 -7.919 -15.812 5.821 1.00 52.41 N ATOM 445 CZ ARG A 27 -9.108 -16.413 6.012 1.00 60.43 C ATOM 446 NH1 ARG A 27 -9.202 -17.576 6.661 1.00 34.45 N ATOM 447 NH2 ARG A 27 -10.205 -15.850 5.533 1.00 64.15 N ATOM 0 H ARG A 27 -3.729 -12.532 4.894 1.00 65.21 H new ATOM 0 HA ARG A 27 -4.224 -15.400 4.741 1.00 21.24 H new ATOM 0 HB2 ARG A 27 -4.898 -13.287 6.464 1.00 32.12 H new ATOM 0 HB3 ARG A 27 -6.403 -13.610 5.626 1.00 32.12 H new ATOM 0 HG2 ARG A 27 -4.788 -15.667 7.198 1.00 51.05 H new ATOM 0 HG3 ARG A 27 -6.222 -14.845 7.779 1.00 51.05 H new ATOM 0 HD2 ARG A 27 -6.093 -16.781 5.425 1.00 52.11 H new ATOM 0 HD3 ARG A 27 -6.771 -17.119 7.005 1.00 52.11 H new ATOM 0 HE ARG A 27 -7.921 -14.922 5.323 1.00 52.41 H new ATOM 0 HH11 ARG A 27 -8.362 -18.027 7.024 1.00 34.45 H new ATOM 0 HH12 ARG A 27 -10.114 -18.013 6.794 1.00 34.45 H new ATOM 0 HH21 ARG A 27 -10.145 -14.968 5.024 1.00 64.15 H new ATOM 0 HH22 ARG A 27 -11.111 -16.298 5.673 1.00 64.15 H new ATOM 461 N GLY A 28 -5.374 -13.481 2.427 1.00 71.10 N ATOM 462 CA GLY A 28 -6.009 -13.497 1.102 1.00 43.55 C ATOM 463 C GLY A 28 -7.186 -12.545 0.947 1.00 55.22 C ATOM 464 O GLY A 28 -7.759 -12.469 -0.139 1.00 3.12 O ATOM 0 H GLY A 28 -4.776 -12.670 2.583 1.00 71.10 H new ATOM 0 HA2 GLY A 28 -5.258 -13.249 0.352 1.00 43.55 H new ATOM 0 HA3 GLY A 28 -6.349 -14.511 0.890 1.00 43.55 H new ATOM 468 N GLU A 29 -7.564 -11.841 2.028 1.00 54.24 N ATOM 469 CA GLU A 29 -8.637 -10.825 2.004 1.00 75.24 C ATOM 470 C GLU A 29 -8.199 -9.583 1.213 1.00 32.03 C ATOM 471 O GLU A 29 -7.568 -8.677 1.766 1.00 24.33 O ATOM 472 CB GLU A 29 -9.066 -10.410 3.445 1.00 11.03 C ATOM 473 CG GLU A 29 -9.895 -11.450 4.219 1.00 3.12 C ATOM 474 CD GLU A 29 -9.127 -12.736 4.548 1.00 74.03 C ATOM 475 OE1 GLU A 29 -9.233 -13.722 3.788 1.00 63.21 O ATOM 476 OE2 GLU A 29 -8.416 -12.768 5.562 1.00 1.05 O ATOM 0 H GLU A 29 -7.135 -11.959 2.946 1.00 54.24 H new ATOM 0 HA GLU A 29 -9.496 -11.277 1.508 1.00 75.24 H new ATOM 0 HB2 GLU A 29 -8.168 -10.186 4.021 1.00 11.03 H new ATOM 0 HB3 GLU A 29 -9.643 -9.487 3.381 1.00 11.03 H new ATOM 0 HG2 GLU A 29 -10.247 -11.001 5.148 1.00 3.12 H new ATOM 0 HG3 GLU A 29 -10.778 -11.705 3.633 1.00 3.12 H new ATOM 483 N TRP A 30 -8.509 -9.575 -0.096 1.00 3.12 N ATOM 484 CA TRP A 30 -8.268 -8.409 -0.966 1.00 23.00 C ATOM 485 C TRP A 30 -9.311 -7.318 -0.694 1.00 70.11 C ATOM 486 O TRP A 30 -9.010 -6.142 -0.792 1.00 32.21 O ATOM 487 CB TRP A 30 -8.276 -8.814 -2.462 1.00 71.44 C ATOM 488 CG TRP A 30 -7.328 -9.951 -2.789 1.00 3.22 C ATOM 489 CD1 TRP A 30 -7.631 -11.112 -3.447 1.00 42.44 C ATOM 490 CD2 TRP A 30 -5.925 -10.048 -2.449 1.00 54.00 C ATOM 491 NE1 TRP A 30 -6.518 -11.904 -3.544 1.00 74.34 N ATOM 492 CE2 TRP A 30 -5.464 -11.275 -2.945 1.00 52.52 C ATOM 493 CE3 TRP A 30 -5.020 -9.215 -1.782 1.00 22.13 C ATOM 494 CZ2 TRP A 30 -4.149 -11.694 -2.787 1.00 61.30 C ATOM 495 CZ3 TRP A 30 -3.711 -9.629 -1.633 1.00 22.22 C ATOM 496 CH2 TRP A 30 -3.288 -10.858 -2.134 1.00 50.00 C ATOM 0 H TRP A 30 -8.930 -10.369 -0.578 1.00 3.12 H new ATOM 0 HA TRP A 30 -7.279 -8.012 -0.735 1.00 23.00 H new ATOM 0 HB2 TRP A 30 -9.288 -9.103 -2.746 1.00 71.44 H new ATOM 0 HB3 TRP A 30 -8.011 -7.946 -3.066 1.00 71.44 H new ATOM 0 HD1 TRP A 30 -8.607 -11.367 -3.834 1.00 42.44 H new ATOM 0 HE1 TRP A 30 -6.482 -12.819 -3.993 1.00 74.34 H new ATOM 0 HE3 TRP A 30 -5.341 -8.261 -1.389 1.00 22.13 H new ATOM 0 HZ2 TRP A 30 -3.818 -12.649 -3.168 1.00 61.30 H new ATOM 0 HZ3 TRP A 30 -3.006 -8.991 -1.121 1.00 22.22 H new ATOM 0 HH2 TRP A 30 -2.258 -11.156 -2.004 1.00 50.00 H new ATOM 507 N ASP A 31 -10.529 -7.746 -0.327 1.00 21.21 N ATOM 508 CA ASP A 31 -11.656 -6.846 0.004 1.00 23.51 C ATOM 509 C ASP A 31 -11.266 -5.900 1.149 1.00 72.01 C ATOM 510 O ASP A 31 -11.283 -4.672 0.995 1.00 71.05 O ATOM 511 CB ASP A 31 -12.902 -7.679 0.420 1.00 72.25 C ATOM 512 CG ASP A 31 -13.320 -8.689 -0.653 1.00 5.13 C ATOM 513 OD1 ASP A 31 -14.294 -8.439 -1.393 1.00 74.53 O ATOM 514 OD2 ASP A 31 -12.656 -9.740 -0.772 1.00 22.32 O ATOM 0 H ASP A 31 -10.766 -8.735 -0.250 1.00 21.21 H new ATOM 0 HA ASP A 31 -11.896 -6.255 -0.880 1.00 23.51 H new ATOM 0 HB2 ASP A 31 -12.687 -8.209 1.348 1.00 72.25 H new ATOM 0 HB3 ASP A 31 -13.734 -7.005 0.623 1.00 72.25 H new ATOM 519 N LEU A 32 -10.869 -6.518 2.278 1.00 14.00 N ATOM 520 CA LEU A 32 -10.476 -5.811 3.500 1.00 54.04 C ATOM 521 C LEU A 32 -9.138 -5.061 3.307 1.00 73.54 C ATOM 522 O LEU A 32 -8.974 -3.973 3.853 1.00 31.34 O ATOM 523 CB LEU A 32 -10.404 -6.803 4.694 1.00 34.11 C ATOM 524 CG LEU A 32 -11.763 -7.423 5.159 1.00 41.45 C ATOM 525 CD1 LEU A 32 -11.543 -8.480 6.260 1.00 71.12 C ATOM 526 CD2 LEU A 32 -12.748 -6.336 5.639 1.00 31.45 C ATOM 0 H LEU A 32 -10.814 -7.533 2.362 1.00 14.00 H new ATOM 0 HA LEU A 32 -11.235 -5.061 3.724 1.00 54.04 H new ATOM 0 HB2 LEU A 32 -9.731 -7.617 4.424 1.00 34.11 H new ATOM 0 HB3 LEU A 32 -9.955 -6.286 5.542 1.00 34.11 H new ATOM 0 HG LEU A 32 -12.206 -7.916 4.294 1.00 41.45 H new ATOM 0 HD11 LEU A 32 -12.504 -8.894 6.564 1.00 71.12 H new ATOM 0 HD12 LEU A 32 -10.909 -9.279 5.876 1.00 71.12 H new ATOM 0 HD13 LEU A 32 -11.060 -8.015 7.119 1.00 71.12 H new ATOM 0 HD21 LEU A 32 -13.681 -6.804 5.954 1.00 31.45 H new ATOM 0 HD22 LEU A 32 -12.312 -5.795 6.478 1.00 31.45 H new ATOM 0 HD23 LEU A 32 -12.948 -5.641 4.824 1.00 31.45 H new ATOM 538 N LEU A 33 -8.202 -5.647 2.515 1.00 12.54 N ATOM 539 CA LEU A 33 -6.927 -4.980 2.132 1.00 42.02 C ATOM 540 C LEU A 33 -7.193 -3.600 1.487 1.00 21.31 C ATOM 541 O LEU A 33 -6.740 -2.576 1.995 1.00 35.52 O ATOM 542 CB LEU A 33 -6.110 -5.852 1.130 1.00 2.34 C ATOM 543 CG LEU A 33 -4.824 -5.174 0.535 1.00 32.15 C ATOM 544 CD1 LEU A 33 -3.771 -4.918 1.624 1.00 12.22 C ATOM 545 CD2 LEU A 33 -4.237 -5.974 -0.640 1.00 41.12 C ATOM 0 H LEU A 33 -8.307 -6.585 2.127 1.00 12.54 H new ATOM 0 HA LEU A 33 -6.351 -4.849 3.048 1.00 42.02 H new ATOM 0 HB2 LEU A 33 -5.814 -6.772 1.634 1.00 2.34 H new ATOM 0 HB3 LEU A 33 -6.764 -6.136 0.306 1.00 2.34 H new ATOM 0 HG LEU A 33 -5.130 -4.207 0.136 1.00 32.15 H new ATOM 0 HD11 LEU A 33 -2.894 -4.448 1.179 1.00 12.22 H new ATOM 0 HD12 LEU A 33 -4.188 -4.259 2.386 1.00 12.22 H new ATOM 0 HD13 LEU A 33 -3.483 -5.865 2.081 1.00 12.22 H new ATOM 0 HD21 LEU A 33 -3.350 -5.467 -1.018 1.00 41.12 H new ATOM 0 HD22 LEU A 33 -3.966 -6.974 -0.300 1.00 41.12 H new ATOM 0 HD23 LEU A 33 -4.979 -6.050 -1.435 1.00 41.12 H new ATOM 557 N LEU A 34 -7.961 -3.619 0.382 1.00 12.22 N ATOM 558 CA LEU A 34 -8.236 -2.433 -0.455 1.00 43.34 C ATOM 559 C LEU A 34 -9.169 -1.437 0.258 1.00 3.25 C ATOM 560 O LEU A 34 -9.164 -0.234 -0.043 1.00 54.30 O ATOM 561 CB LEU A 34 -8.842 -2.900 -1.802 1.00 74.33 C ATOM 562 CG LEU A 34 -7.959 -3.905 -2.609 1.00 14.33 C ATOM 563 CD1 LEU A 34 -8.734 -4.505 -3.794 1.00 61.14 C ATOM 564 CD2 LEU A 34 -6.631 -3.266 -3.054 1.00 41.21 C ATOM 0 H LEU A 34 -8.414 -4.467 0.040 1.00 12.22 H new ATOM 0 HA LEU A 34 -7.300 -1.905 -0.640 1.00 43.34 H new ATOM 0 HB2 LEU A 34 -9.809 -3.364 -1.607 1.00 74.33 H new ATOM 0 HB3 LEU A 34 -9.029 -2.024 -2.423 1.00 74.33 H new ATOM 0 HG LEU A 34 -7.705 -4.728 -1.940 1.00 14.33 H new ATOM 0 HD11 LEU A 34 -8.091 -5.200 -4.335 1.00 61.14 H new ATOM 0 HD12 LEU A 34 -9.611 -5.035 -3.424 1.00 61.14 H new ATOM 0 HD13 LEU A 34 -9.049 -3.706 -4.465 1.00 61.14 H new ATOM 0 HD21 LEU A 34 -6.045 -3.996 -3.612 1.00 41.21 H new ATOM 0 HD22 LEU A 34 -6.837 -2.404 -3.689 1.00 41.21 H new ATOM 0 HD23 LEU A 34 -6.070 -2.945 -2.177 1.00 41.21 H new ATOM 576 N GLN A 35 -9.961 -1.954 1.209 1.00 2.40 N ATOM 577 CA GLN A 35 -10.822 -1.148 2.082 1.00 31.32 C ATOM 578 C GLN A 35 -9.954 -0.306 3.039 1.00 33.23 C ATOM 579 O GLN A 35 -10.227 0.874 3.269 1.00 75.42 O ATOM 580 CB GLN A 35 -11.777 -2.079 2.877 1.00 1.55 C ATOM 581 CG GLN A 35 -12.773 -1.363 3.817 1.00 73.42 C ATOM 582 CD GLN A 35 -13.791 -0.457 3.116 1.00 71.23 C ATOM 583 OE1 GLN A 35 -14.219 0.559 3.672 1.00 34.31 O ATOM 584 NE2 GLN A 35 -14.226 -0.824 1.916 1.00 63.31 N ATOM 0 H GLN A 35 -10.021 -2.955 1.394 1.00 2.40 H new ATOM 0 HA GLN A 35 -11.424 -0.470 1.477 1.00 31.32 H new ATOM 0 HB2 GLN A 35 -12.343 -2.682 2.167 1.00 1.55 H new ATOM 0 HB3 GLN A 35 -11.175 -2.767 3.470 1.00 1.55 H new ATOM 0 HG2 GLN A 35 -13.314 -2.116 4.390 1.00 73.42 H new ATOM 0 HG3 GLN A 35 -12.208 -0.764 4.531 1.00 73.42 H new ATOM 0 HE21 GLN A 35 -13.858 -1.667 1.476 1.00 63.31 H new ATOM 0 HE22 GLN A 35 -14.928 -0.262 1.434 1.00 63.31 H new ATOM 593 N GLN A 36 -8.886 -0.934 3.574 1.00 41.20 N ATOM 594 CA GLN A 36 -7.943 -0.279 4.505 1.00 55.01 C ATOM 595 C GLN A 36 -6.891 0.554 3.747 1.00 51.14 C ATOM 596 O GLN A 36 -6.308 1.473 4.325 1.00 43.20 O ATOM 597 CB GLN A 36 -7.245 -1.333 5.408 1.00 32.35 C ATOM 598 CG GLN A 36 -8.202 -2.159 6.293 1.00 70.21 C ATOM 599 CD GLN A 36 -9.041 -1.319 7.258 1.00 2.01 C ATOM 600 OE1 GLN A 36 -8.610 -0.272 7.735 1.00 24.51 O ATOM 601 NE2 GLN A 36 -10.253 -1.762 7.548 1.00 52.44 N ATOM 0 H GLN A 36 -8.653 -1.907 3.374 1.00 41.20 H new ATOM 0 HA GLN A 36 -8.519 0.399 5.135 1.00 55.01 H new ATOM 0 HB2 GLN A 36 -6.678 -2.015 4.775 1.00 32.35 H new ATOM 0 HB3 GLN A 36 -6.527 -0.823 6.050 1.00 32.35 H new ATOM 0 HG2 GLN A 36 -8.871 -2.731 5.650 1.00 70.21 H new ATOM 0 HG3 GLN A 36 -7.619 -2.879 6.867 1.00 70.21 H new ATOM 0 HE21 GLN A 36 -10.589 -2.634 7.139 1.00 52.44 H new ATOM 0 HE22 GLN A 36 -10.852 -1.231 8.180 1.00 52.44 H new ATOM 610 N GLU A 37 -6.665 0.207 2.456 1.00 24.33 N ATOM 611 CA GLU A 37 -5.702 0.879 1.546 1.00 31.13 C ATOM 612 C GLU A 37 -5.891 2.395 1.555 1.00 33.40 C ATOM 613 O GLU A 37 -4.955 3.147 1.807 1.00 5.55 O ATOM 614 CB GLU A 37 -5.922 0.402 0.083 1.00 51.34 C ATOM 615 CG GLU A 37 -5.059 1.136 -0.973 1.00 35.12 C ATOM 616 CD GLU A 37 -5.515 0.887 -2.416 1.00 53.24 C ATOM 617 OE1 GLU A 37 -5.997 1.843 -3.072 1.00 20.34 O ATOM 618 OE2 GLU A 37 -5.431 -0.251 -2.891 1.00 2.03 O ATOM 0 H GLU A 37 -7.158 -0.565 2.008 1.00 24.33 H new ATOM 0 HA GLU A 37 -4.703 0.624 1.899 1.00 31.13 H new ATOM 0 HB2 GLU A 37 -5.710 -0.666 0.027 1.00 51.34 H new ATOM 0 HB3 GLU A 37 -6.974 0.532 -0.173 1.00 51.34 H new ATOM 0 HG2 GLU A 37 -5.086 2.207 -0.772 1.00 35.12 H new ATOM 0 HG3 GLU A 37 -4.022 0.818 -0.868 1.00 35.12 H new ATOM 625 N VAL A 38 -7.138 2.800 1.261 1.00 1.42 N ATOM 626 CA VAL A 38 -7.509 4.200 1.082 1.00 65.13 C ATOM 627 C VAL A 38 -7.229 5.013 2.357 1.00 14.14 C ATOM 628 O VAL A 38 -6.684 6.103 2.273 1.00 1.13 O ATOM 629 CB VAL A 38 -9.008 4.340 0.634 1.00 4.12 C ATOM 630 CG1 VAL A 38 -9.233 3.693 -0.754 1.00 30.41 C ATOM 631 CG2 VAL A 38 -9.975 3.743 1.682 1.00 42.23 C ATOM 0 H VAL A 38 -7.918 2.154 1.141 1.00 1.42 H new ATOM 0 HA VAL A 38 -6.889 4.609 0.284 1.00 65.13 H new ATOM 0 HB VAL A 38 -9.227 5.405 0.555 1.00 4.12 H new ATOM 0 HG11 VAL A 38 -10.279 3.803 -1.042 1.00 30.41 H new ATOM 0 HG12 VAL A 38 -8.600 4.186 -1.492 1.00 30.41 H new ATOM 0 HG13 VAL A 38 -8.979 2.634 -0.707 1.00 30.41 H new ATOM 0 HG21 VAL A 38 -11.002 3.859 1.337 1.00 42.23 H new ATOM 0 HG22 VAL A 38 -9.755 2.684 1.818 1.00 42.23 H new ATOM 0 HG23 VAL A 38 -9.850 4.265 2.631 1.00 42.23 H new ATOM 641 N SER A 39 -7.557 4.432 3.526 1.00 21.41 N ATOM 642 CA SER A 39 -7.345 5.066 4.836 1.00 52.01 C ATOM 643 C SER A 39 -5.846 5.148 5.176 1.00 73.53 C ATOM 644 O SER A 39 -5.383 6.131 5.751 1.00 40.21 O ATOM 645 CB SER A 39 -8.098 4.265 5.920 1.00 21.12 C ATOM 646 OG SER A 39 -9.461 4.116 5.566 1.00 60.25 O ATOM 0 H SER A 39 -7.978 3.505 3.586 1.00 21.41 H new ATOM 0 HA SER A 39 -7.733 6.084 4.799 1.00 52.01 H new ATOM 0 HB2 SER A 39 -7.638 3.284 6.042 1.00 21.12 H new ATOM 0 HB3 SER A 39 -8.019 4.776 6.880 1.00 21.12 H new ATOM 0 HG SER A 39 -9.926 3.605 6.261 1.00 60.25 H new ATOM 652 N TYR A 40 -5.113 4.100 4.771 1.00 21.15 N ATOM 653 CA TYR A 40 -3.681 3.922 5.049 1.00 52.10 C ATOM 654 C TYR A 40 -2.839 4.965 4.297 1.00 62.55 C ATOM 655 O TYR A 40 -2.127 5.763 4.920 1.00 53.13 O ATOM 656 CB TYR A 40 -3.286 2.477 4.642 1.00 11.21 C ATOM 657 CG TYR A 40 -1.798 2.142 4.718 1.00 3.33 C ATOM 658 CD1 TYR A 40 -1.073 2.329 5.893 1.00 12.22 C ATOM 659 CD2 TYR A 40 -1.124 1.598 3.616 1.00 2.22 C ATOM 660 CE1 TYR A 40 0.259 1.994 5.962 1.00 0.41 C ATOM 661 CE2 TYR A 40 0.208 1.265 3.687 1.00 25.02 C ATOM 662 CZ TYR A 40 0.897 1.460 4.861 1.00 44.33 C ATOM 663 OH TYR A 40 2.225 1.117 4.941 1.00 44.22 O ATOM 0 H TYR A 40 -5.510 3.334 4.227 1.00 21.15 H new ATOM 0 HA TYR A 40 -3.487 4.070 6.111 1.00 52.10 H new ATOM 0 HB2 TYR A 40 -3.828 1.780 5.281 1.00 11.21 H new ATOM 0 HB3 TYR A 40 -3.625 2.303 3.621 1.00 11.21 H new ATOM 0 HD1 TYR A 40 -1.564 2.743 6.762 1.00 12.22 H new ATOM 0 HD2 TYR A 40 -1.661 1.437 2.693 1.00 2.22 H new ATOM 0 HE1 TYR A 40 0.807 2.149 6.880 1.00 0.41 H new ATOM 0 HE2 TYR A 40 0.711 0.852 2.825 1.00 25.02 H new ATOM 0 HH TYR A 40 2.575 1.367 5.822 1.00 44.22 H new ATOM 673 N LEU A 41 -2.958 4.952 2.957 1.00 14.42 N ATOM 674 CA LEU A 41 -2.217 5.851 2.066 1.00 73.25 C ATOM 675 C LEU A 41 -2.626 7.316 2.308 1.00 63.25 C ATOM 676 O LEU A 41 -1.772 8.198 2.288 1.00 12.22 O ATOM 677 CB LEU A 41 -2.435 5.422 0.587 1.00 64.23 C ATOM 678 CG LEU A 41 -1.924 3.984 0.227 1.00 73.42 C ATOM 679 CD1 LEU A 41 -2.316 3.591 -1.212 1.00 53.14 C ATOM 680 CD2 LEU A 41 -0.398 3.860 0.443 1.00 30.24 C ATOM 0 H LEU A 41 -3.577 4.310 2.462 1.00 14.42 H new ATOM 0 HA LEU A 41 -1.152 5.778 2.284 1.00 73.25 H new ATOM 0 HB2 LEU A 41 -3.500 5.479 0.362 1.00 64.23 H new ATOM 0 HB3 LEU A 41 -1.934 6.141 -0.061 1.00 64.23 H new ATOM 0 HG LEU A 41 -2.413 3.284 0.905 1.00 73.42 H new ATOM 0 HD11 LEU A 41 -1.946 2.589 -1.429 1.00 53.14 H new ATOM 0 HD12 LEU A 41 -3.401 3.607 -1.311 1.00 53.14 H new ATOM 0 HD13 LEU A 41 -1.878 4.299 -1.915 1.00 53.14 H new ATOM 0 HD21 LEU A 41 -0.075 2.852 0.185 1.00 30.24 H new ATOM 0 HD22 LEU A 41 0.119 4.580 -0.191 1.00 30.24 H new ATOM 0 HD23 LEU A 41 -0.161 4.061 1.488 1.00 30.24 H new ATOM 692 N GLN A 42 -3.937 7.547 2.581 1.00 71.51 N ATOM 693 CA GLN A 42 -4.460 8.872 2.988 1.00 4.10 C ATOM 694 C GLN A 42 -3.708 9.403 4.222 1.00 41.12 C ATOM 695 O GLN A 42 -3.262 10.548 4.226 1.00 13.34 O ATOM 696 CB GLN A 42 -5.973 8.779 3.307 1.00 14.01 C ATOM 697 CG GLN A 42 -6.665 10.100 3.704 1.00 40.12 C ATOM 698 CD GLN A 42 -8.143 9.927 4.104 1.00 45.34 C ATOM 699 OE1 GLN A 42 -8.472 8.825 4.778 1.00 14.41 O flip ATOM 700 NE2 GLN A 42 -8.977 10.800 3.852 1.00 15.24 N flip ATOM 0 H GLN A 42 -4.654 6.824 2.525 1.00 71.51 H new ATOM 0 HA GLN A 42 -4.307 9.562 2.158 1.00 4.10 H new ATOM 0 HB2 GLN A 42 -6.484 8.373 2.434 1.00 14.01 H new ATOM 0 HB3 GLN A 42 -6.110 8.063 4.117 1.00 14.01 H new ATOM 0 HG2 GLN A 42 -6.122 10.549 4.536 1.00 40.12 H new ATOM 0 HG3 GLN A 42 -6.603 10.798 2.869 1.00 40.12 H new ATOM 0 HE21 GLN A 42 -8.701 11.635 3.335 1.00 15.24 H new ATOM 0 HE22 GLN A 42 -9.943 10.687 4.161 1.00 15.24 H new ATOM 709 N SER A 43 -3.552 8.528 5.245 1.00 72.14 N ATOM 710 CA SER A 43 -2.866 8.866 6.506 1.00 12.52 C ATOM 711 C SER A 43 -1.392 9.258 6.264 1.00 32.24 C ATOM 712 O SER A 43 -0.890 10.209 6.877 1.00 10.21 O ATOM 713 CB SER A 43 -2.954 7.694 7.506 1.00 62.44 C ATOM 714 OG SER A 43 -4.292 7.412 7.871 1.00 31.31 O ATOM 0 H SER A 43 -3.900 7.570 5.214 1.00 72.14 H new ATOM 0 HA SER A 43 -3.374 9.730 6.934 1.00 12.52 H new ATOM 0 HB2 SER A 43 -2.503 6.805 7.065 1.00 62.44 H new ATOM 0 HB3 SER A 43 -2.377 7.934 8.399 1.00 62.44 H new ATOM 0 HG SER A 43 -4.741 6.946 7.135 1.00 31.31 H new ATOM 720 N ILE A 44 -0.716 8.523 5.357 1.00 42.51 N ATOM 721 CA ILE A 44 0.694 8.777 5.003 1.00 20.43 C ATOM 722 C ILE A 44 0.844 10.150 4.310 1.00 23.12 C ATOM 723 O ILE A 44 1.732 10.942 4.640 1.00 51.21 O ATOM 724 CB ILE A 44 1.274 7.643 4.080 1.00 71.23 C ATOM 725 CG1 ILE A 44 1.122 6.246 4.759 1.00 13.53 C ATOM 726 CG2 ILE A 44 2.755 7.922 3.729 1.00 63.15 C ATOM 727 CD1 ILE A 44 1.563 5.064 3.906 1.00 2.33 C ATOM 0 H ILE A 44 -1.131 7.740 4.852 1.00 42.51 H new ATOM 0 HA ILE A 44 1.265 8.782 5.931 1.00 20.43 H new ATOM 0 HB ILE A 44 0.701 7.636 3.153 1.00 71.23 H new ATOM 0 HG12 ILE A 44 1.700 6.243 5.683 1.00 13.53 H new ATOM 0 HG13 ILE A 44 0.077 6.105 5.036 1.00 13.53 H new ATOM 0 HG21 ILE A 44 3.134 7.124 3.090 1.00 63.15 H new ATOM 0 HG22 ILE A 44 2.831 8.874 3.204 1.00 63.15 H new ATOM 0 HG23 ILE A 44 3.344 7.964 4.645 1.00 63.15 H new ATOM 0 HD11 ILE A 44 1.419 4.139 4.464 1.00 2.33 H new ATOM 0 HD12 ILE A 44 0.969 5.033 2.993 1.00 2.33 H new ATOM 0 HD13 ILE A 44 2.617 5.173 3.650 1.00 2.33 H new ATOM 739 N GLU A 45 -0.062 10.428 3.370 1.00 45.10 N ATOM 740 CA GLU A 45 -0.042 11.669 2.573 1.00 3.15 C ATOM 741 C GLU A 45 -0.455 12.891 3.416 1.00 43.02 C ATOM 742 O GLU A 45 0.048 13.994 3.190 1.00 52.13 O ATOM 743 CB GLU A 45 -0.960 11.511 1.333 1.00 3.14 C ATOM 744 CG GLU A 45 -0.536 10.361 0.392 1.00 13.33 C ATOM 745 CD GLU A 45 -1.532 10.109 -0.745 1.00 42.44 C ATOM 746 OE1 GLU A 45 -1.239 10.437 -1.918 1.00 1.32 O ATOM 747 OE2 GLU A 45 -2.632 9.588 -0.463 1.00 73.02 O ATOM 0 H GLU A 45 -0.833 9.803 3.135 1.00 45.10 H new ATOM 0 HA GLU A 45 0.980 11.845 2.236 1.00 3.15 H new ATOM 0 HB2 GLU A 45 -1.982 11.337 1.668 1.00 3.14 H new ATOM 0 HB3 GLU A 45 -0.963 12.446 0.772 1.00 3.14 H new ATOM 0 HG2 GLU A 45 0.441 10.591 -0.034 1.00 13.33 H new ATOM 0 HG3 GLU A 45 -0.422 9.447 0.975 1.00 13.33 H new ATOM 754 N THR A 46 -1.343 12.680 4.408 1.00 11.10 N ATOM 755 CA THR A 46 -1.902 13.778 5.222 1.00 44.55 C ATOM 756 C THR A 46 -0.941 14.170 6.372 1.00 55.50 C ATOM 757 O THR A 46 -0.966 15.319 6.836 1.00 34.32 O ATOM 758 CB THR A 46 -3.343 13.429 5.753 1.00 33.52 C ATOM 759 OG1 THR A 46 -4.018 14.610 6.191 1.00 21.05 O ATOM 760 CG2 THR A 46 -3.331 12.419 6.906 1.00 35.21 C ATOM 0 H THR A 46 -1.689 11.756 4.665 1.00 11.10 H new ATOM 0 HA THR A 46 -2.005 14.649 4.575 1.00 44.55 H new ATOM 0 HB THR A 46 -3.868 12.976 4.912 1.00 33.52 H new ATOM 0 HG1 THR A 46 -4.912 14.374 6.516 1.00 21.05 H new ATOM 0 HG21 THR A 46 -4.354 12.221 7.227 1.00 35.21 H new ATOM 0 HG22 THR A 46 -2.869 11.490 6.571 1.00 35.21 H new ATOM 0 HG23 THR A 46 -2.762 12.827 7.741 1.00 35.21 H new ATOM 768 N VAL A 47 -0.083 13.220 6.836 1.00 61.24 N ATOM 769 CA VAL A 47 1.019 13.560 7.771 1.00 0.40 C ATOM 770 C VAL A 47 2.155 14.255 7.001 1.00 24.12 C ATOM 771 O VAL A 47 2.767 15.185 7.518 1.00 14.24 O ATOM 772 CB VAL A 47 1.591 12.330 8.591 1.00 51.34 C ATOM 773 CG1 VAL A 47 0.527 11.755 9.544 1.00 51.21 C ATOM 774 CG2 VAL A 47 2.160 11.227 7.678 1.00 31.04 C ATOM 0 H VAL A 47 -0.133 12.233 6.583 1.00 61.24 H new ATOM 0 HA VAL A 47 0.586 14.230 8.514 1.00 0.40 H new ATOM 0 HB VAL A 47 2.420 12.711 9.187 1.00 51.34 H new ATOM 0 HG11 VAL A 47 0.948 10.913 10.093 1.00 51.21 H new ATOM 0 HG12 VAL A 47 0.213 12.526 10.247 1.00 51.21 H new ATOM 0 HG13 VAL A 47 -0.334 11.418 8.967 1.00 51.21 H new ATOM 0 HG21 VAL A 47 2.539 10.408 8.289 1.00 31.04 H new ATOM 0 HG22 VAL A 47 1.373 10.856 7.022 1.00 31.04 H new ATOM 0 HG23 VAL A 47 2.972 11.636 7.076 1.00 31.04 H new ATOM 784 N MET A 48 2.400 13.805 5.746 1.00 32.41 N ATOM 785 CA MET A 48 3.408 14.418 4.845 1.00 61.51 C ATOM 786 C MET A 48 2.932 15.770 4.283 1.00 75.03 C ATOM 787 O MET A 48 3.745 16.554 3.778 1.00 44.13 O ATOM 788 CB MET A 48 3.793 13.443 3.706 1.00 45.45 C ATOM 789 CG MET A 48 4.649 12.264 4.182 1.00 62.21 C ATOM 790 SD MET A 48 6.210 12.814 4.912 1.00 63.11 S ATOM 791 CE MET A 48 6.908 11.272 5.497 1.00 74.14 C ATOM 0 H MET A 48 1.909 13.013 5.332 1.00 32.41 H new ATOM 0 HA MET A 48 4.299 14.616 5.440 1.00 61.51 H new ATOM 0 HB2 MET A 48 2.884 13.060 3.242 1.00 45.45 H new ATOM 0 HB3 MET A 48 4.337 13.991 2.936 1.00 45.45 H new ATOM 0 HG2 MET A 48 4.090 11.683 4.916 1.00 62.21 H new ATOM 0 HG3 MET A 48 4.855 11.602 3.341 1.00 62.21 H new ATOM 0 HE1 MET A 48 7.953 11.208 5.195 1.00 74.14 H new ATOM 0 HE2 MET A 48 6.841 11.232 6.584 1.00 74.14 H new ATOM 0 HE3 MET A 48 6.355 10.436 5.068 1.00 74.14 H new ATOM 801 N GLU A 49 1.619 16.040 4.389 1.00 4.52 N ATOM 802 CA GLU A 49 1.031 17.359 4.084 1.00 43.55 C ATOM 803 C GLU A 49 1.493 18.395 5.138 1.00 5.35 C ATOM 804 O GLU A 49 1.655 19.582 4.843 1.00 22.32 O ATOM 805 CB GLU A 49 -0.521 17.245 4.049 1.00 45.34 C ATOM 806 CG GLU A 49 -1.272 18.536 3.658 1.00 71.52 C ATOM 807 CD GLU A 49 -0.888 19.059 2.262 1.00 65.02 C ATOM 808 OE1 GLU A 49 -0.114 20.041 2.163 1.00 35.53 O ATOM 809 OE2 GLU A 49 -1.339 18.471 1.254 1.00 70.42 O ATOM 0 H GLU A 49 0.932 15.348 4.690 1.00 4.52 H new ATOM 0 HA GLU A 49 1.371 17.696 3.105 1.00 43.55 H new ATOM 0 HB2 GLU A 49 -0.795 16.459 3.346 1.00 45.34 H new ATOM 0 HB3 GLU A 49 -0.867 16.927 5.033 1.00 45.34 H new ATOM 0 HG2 GLU A 49 -2.345 18.348 3.686 1.00 71.52 H new ATOM 0 HG3 GLU A 49 -1.064 19.308 4.399 1.00 71.52 H new ATOM 816 N LYS A 50 1.717 17.911 6.376 1.00 31.54 N ATOM 817 CA LYS A 50 2.287 18.704 7.493 1.00 62.44 C ATOM 818 C LYS A 50 3.772 18.308 7.720 1.00 54.51 C ATOM 819 O LYS A 50 4.383 18.740 8.710 1.00 52.41 O ATOM 820 CB LYS A 50 1.448 18.488 8.804 1.00 34.21 C ATOM 821 CG LYS A 50 0.199 19.395 8.950 1.00 32.13 C ATOM 822 CD LYS A 50 -0.831 19.214 7.811 1.00 72.12 C ATOM 823 CE LYS A 50 -2.034 20.165 7.927 1.00 65.13 C ATOM 824 NZ LYS A 50 -2.945 20.050 6.756 1.00 12.44 N ATOM 0 H LYS A 50 1.506 16.947 6.635 1.00 31.54 H new ATOM 0 HA LYS A 50 2.244 19.762 7.233 1.00 62.44 H new ATOM 0 HB2 LYS A 50 1.127 17.447 8.842 1.00 34.21 H new ATOM 0 HB3 LYS A 50 2.098 18.653 9.663 1.00 34.21 H new ATOM 0 HG2 LYS A 50 -0.285 19.183 9.904 1.00 32.13 H new ATOM 0 HG3 LYS A 50 0.518 20.437 8.979 1.00 32.13 H new ATOM 0 HD2 LYS A 50 -0.337 19.378 6.853 1.00 72.12 H new ATOM 0 HD3 LYS A 50 -1.188 18.184 7.813 1.00 72.12 H new ATOM 0 HE2 LYS A 50 -2.586 19.943 8.840 1.00 65.13 H new ATOM 0 HE3 LYS A 50 -1.679 21.192 8.011 1.00 65.13 H new ATOM 0 HZ1 LYS A 50 -3.743 20.707 6.871 1.00 12.44 H new ATOM 0 HZ2 LYS A 50 -2.425 20.287 5.887 1.00 12.44 H new ATOM 0 HZ3 LYS A 50 -3.304 19.076 6.690 1.00 12.44 H new ATOM 838 N GLN A 51 4.328 17.533 6.744 1.00 20.23 N ATOM 839 CA GLN A 51 5.668 16.882 6.780 1.00 54.24 C ATOM 840 C GLN A 51 6.038 16.325 8.192 1.00 41.14 C ATOM 841 O GLN A 51 5.643 15.206 8.545 1.00 41.14 O ATOM 842 CB GLN A 51 6.791 17.782 6.135 1.00 64.15 C ATOM 843 CG GLN A 51 6.866 19.240 6.656 1.00 2.32 C ATOM 844 CD GLN A 51 8.163 19.967 6.315 1.00 32.03 C ATOM 845 OE1 GLN A 51 8.760 19.752 5.260 1.00 63.22 O ATOM 846 NE2 GLN A 51 8.648 20.794 7.227 1.00 4.32 N ATOM 0 H GLN A 51 3.832 17.338 5.875 1.00 20.23 H new ATOM 0 HA GLN A 51 5.601 16.000 6.143 1.00 54.24 H new ATOM 0 HB2 GLN A 51 7.756 17.305 6.306 1.00 64.15 H new ATOM 0 HB3 GLN A 51 6.635 17.809 5.057 1.00 64.15 H new ATOM 0 HG2 GLN A 51 6.029 19.803 6.243 1.00 2.32 H new ATOM 0 HG3 GLN A 51 6.742 19.232 7.739 1.00 2.32 H new ATOM 0 HE21 GLN A 51 8.135 20.956 8.093 1.00 4.32 H new ATOM 0 HE22 GLN A 51 9.535 21.270 7.064 1.00 4.32 H new ATOM 855 N THR A 52 6.763 17.121 8.978 1.00 30.00 N ATOM 856 CA THR A 52 7.116 16.855 10.364 1.00 21.52 C ATOM 857 C THR A 52 7.253 18.240 11.043 1.00 34.52 C ATOM 858 O THR A 52 8.141 19.008 10.647 1.00 65.24 O ATOM 859 CB THR A 52 8.468 16.048 10.476 1.00 41.20 C ATOM 860 OG1 THR A 52 8.357 14.784 9.786 1.00 41.50 O ATOM 861 CG2 THR A 52 8.862 15.782 11.942 1.00 64.44 C ATOM 0 H THR A 52 7.136 18.010 8.645 1.00 30.00 H new ATOM 0 HA THR A 52 6.354 16.241 10.845 1.00 21.52 H new ATOM 0 HB THR A 52 9.243 16.661 10.016 1.00 41.20 H new ATOM 0 HG1 THR A 52 9.203 14.295 9.862 1.00 41.50 H new ATOM 0 HG21 THR A 52 9.798 15.224 11.972 1.00 64.44 H new ATOM 0 HG22 THR A 52 8.988 16.731 12.463 1.00 64.44 H new ATOM 0 HG23 THR A 52 8.079 15.202 12.430 1.00 64.44 H new ATOM 869 N PRO A 53 6.338 18.615 12.002 1.00 72.12 N ATOM 870 CA PRO A 53 6.429 19.899 12.763 1.00 72.21 C ATOM 871 C PRO A 53 7.826 20.134 13.417 1.00 32.41 C ATOM 872 O PRO A 53 8.544 19.172 13.701 1.00 13.43 O ATOM 873 CB PRO A 53 5.324 19.739 13.842 1.00 34.32 C ATOM 874 CG PRO A 53 4.315 18.825 13.212 1.00 43.33 C ATOM 875 CD PRO A 53 5.126 17.843 12.389 1.00 11.31 C ATOM 0 HA PRO A 53 6.298 20.766 12.116 1.00 72.21 H new ATOM 0 HB2 PRO A 53 5.726 19.313 14.762 1.00 34.32 H new ATOM 0 HB3 PRO A 53 4.881 20.700 14.102 1.00 34.32 H new ATOM 0 HG2 PRO A 53 3.724 18.310 13.969 1.00 43.33 H new ATOM 0 HG3 PRO A 53 3.617 19.381 12.586 1.00 43.33 H new ATOM 0 HD2 PRO A 53 5.385 16.956 12.967 1.00 11.31 H new ATOM 0 HD3 PRO A 53 4.573 17.503 11.514 1.00 11.31 H new ATOM 883 N PRO A 54 8.247 21.419 13.645 1.00 64.21 N ATOM 884 CA PRO A 54 9.528 21.724 14.338 1.00 11.41 C ATOM 885 C PRO A 54 9.472 21.365 15.841 1.00 4.20 C ATOM 886 O PRO A 54 10.506 21.107 16.468 1.00 51.53 O ATOM 887 CB PRO A 54 9.695 23.250 14.117 1.00 14.43 C ATOM 888 CG PRO A 54 8.293 23.765 13.963 1.00 24.41 C ATOM 889 CD PRO A 54 7.534 22.668 13.236 1.00 24.11 C ATOM 0 HA PRO A 54 10.366 21.144 13.952 1.00 11.41 H new ATOM 0 HB2 PRO A 54 10.200 23.720 14.961 1.00 14.43 H new ATOM 0 HB3 PRO A 54 10.294 23.459 13.231 1.00 14.43 H new ATOM 0 HG2 PRO A 54 7.844 23.976 14.933 1.00 24.41 H new ATOM 0 HG3 PRO A 54 8.277 24.695 13.395 1.00 24.41 H new ATOM 0 HD2 PRO A 54 6.484 22.645 13.529 1.00 24.11 H new ATOM 0 HD3 PRO A 54 7.561 22.810 12.156 1.00 24.11 H new ATOM 897 N GLY A 55 8.244 21.334 16.395 1.00 23.13 N ATOM 898 CA GLY A 55 8.016 20.998 17.796 1.00 4.51 C ATOM 899 C GLY A 55 7.708 19.527 17.991 1.00 14.24 C ATOM 900 O GLY A 55 6.617 19.161 18.437 1.00 52.35 O ATOM 0 H GLY A 55 7.390 21.542 15.877 1.00 23.13 H new ATOM 0 HA2 GLY A 55 8.898 21.263 18.379 1.00 4.51 H new ATOM 0 HA3 GLY A 55 7.189 21.594 18.181 1.00 4.51 H new ATOM 904 N ILE A 56 8.666 18.672 17.605 1.00 74.12 N ATOM 905 CA ILE A 56 8.619 17.228 17.869 1.00 40.32 C ATOM 906 C ILE A 56 9.667 16.905 18.943 1.00 63.13 C ATOM 907 O ILE A 56 10.875 16.941 18.669 1.00 10.22 O ATOM 908 CB ILE A 56 8.879 16.388 16.554 1.00 2.43 C ATOM 909 CG1 ILE A 56 7.813 16.721 15.463 1.00 14.21 C ATOM 910 CG2 ILE A 56 8.914 14.865 16.836 1.00 14.40 C ATOM 911 CD1 ILE A 56 6.377 16.500 15.885 1.00 51.12 C ATOM 0 H ILE A 56 9.501 18.966 17.097 1.00 74.12 H new ATOM 0 HA ILE A 56 7.624 16.954 18.221 1.00 40.32 H new ATOM 0 HB ILE A 56 9.862 16.673 16.179 1.00 2.43 H new ATOM 0 HG12 ILE A 56 7.932 17.763 15.166 1.00 14.21 H new ATOM 0 HG13 ILE A 56 8.015 16.113 14.581 1.00 14.21 H new ATOM 0 HG21 ILE A 56 9.095 14.327 15.906 1.00 14.40 H new ATOM 0 HG22 ILE A 56 9.713 14.644 17.544 1.00 14.40 H new ATOM 0 HG23 ILE A 56 7.959 14.551 17.257 1.00 14.40 H new ATOM 0 HD11 ILE A 56 5.712 16.758 15.061 1.00 51.12 H new ATOM 0 HD12 ILE A 56 6.233 15.453 16.153 1.00 51.12 H new ATOM 0 HD13 ILE A 56 6.150 17.129 16.746 1.00 51.12 H new ATOM 923 N THR A 57 9.191 16.636 20.176 1.00 44.15 N ATOM 924 CA THR A 57 10.063 16.285 21.313 1.00 35.01 C ATOM 925 C THR A 57 10.574 14.839 21.165 1.00 12.24 C ATOM 926 O THR A 57 10.090 14.093 20.306 1.00 20.34 O ATOM 927 CB THR A 57 9.316 16.465 22.686 1.00 43.04 C ATOM 928 OG1 THR A 57 10.218 16.231 23.785 1.00 0.23 O ATOM 929 CG2 THR A 57 8.105 15.527 22.823 1.00 73.22 C ATOM 0 H THR A 57 8.198 16.656 20.409 1.00 44.15 H new ATOM 0 HA THR A 57 10.915 16.965 21.306 1.00 35.01 H new ATOM 0 HB THR A 57 8.953 17.492 22.710 1.00 43.04 H new ATOM 0 HG1 THR A 57 9.739 16.348 24.632 1.00 0.23 H new ATOM 0 HG21 THR A 57 7.625 15.691 23.788 1.00 73.22 H new ATOM 0 HG22 THR A 57 7.393 15.733 22.024 1.00 73.22 H new ATOM 0 HG23 THR A 57 8.438 14.491 22.755 1.00 73.22 H new ATOM 937 N ARG A 58 11.508 14.439 22.048 1.00 45.32 N ATOM 938 CA ARG A 58 12.227 13.151 21.939 1.00 62.34 C ATOM 939 C ARG A 58 11.263 11.961 22.152 1.00 43.24 C ATOM 940 O ARG A 58 11.488 10.868 21.622 1.00 4.42 O ATOM 941 CB ARG A 58 13.420 13.090 22.954 1.00 13.20 C ATOM 942 CG ARG A 58 13.079 12.739 24.430 1.00 32.24 C ATOM 943 CD ARG A 58 12.187 13.772 25.145 1.00 70.11 C ATOM 944 NE ARG A 58 12.835 15.085 25.299 1.00 23.35 N ATOM 945 CZ ARG A 58 12.408 16.062 26.123 1.00 22.50 C ATOM 946 NH1 ARG A 58 11.324 15.904 26.886 1.00 1.04 N ATOM 947 NH2 ARG A 58 13.081 17.202 26.188 1.00 61.05 N ATOM 0 H ARG A 58 11.787 14.996 22.856 1.00 45.32 H new ATOM 0 HA ARG A 58 12.636 13.078 20.931 1.00 62.34 H new ATOM 0 HB2 ARG A 58 14.137 12.355 22.589 1.00 13.20 H new ATOM 0 HB3 ARG A 58 13.922 14.057 22.944 1.00 13.20 H new ATOM 0 HG2 ARG A 58 12.581 11.770 24.453 1.00 32.24 H new ATOM 0 HG3 ARG A 58 14.009 12.633 24.989 1.00 32.24 H new ATOM 0 HD2 ARG A 58 11.261 13.894 24.584 1.00 70.11 H new ATOM 0 HD3 ARG A 58 11.915 13.390 26.129 1.00 70.11 H new ATOM 0 HE ARG A 58 13.669 15.269 24.741 1.00 23.35 H new ATOM 0 HH11 ARG A 58 10.800 15.029 26.853 1.00 1.04 H new ATOM 0 HH12 ARG A 58 11.020 16.658 27.502 1.00 1.04 H new ATOM 0 HH21 ARG A 58 13.916 17.335 25.617 1.00 61.05 H new ATOM 0 HH22 ARG A 58 12.764 17.946 26.809 1.00 61.05 H new ATOM 961 N SER A 59 10.177 12.218 22.908 1.00 4.22 N ATOM 962 CA SER A 59 9.133 11.232 23.200 1.00 21.22 C ATOM 963 C SER A 59 8.305 10.943 21.940 1.00 72.30 C ATOM 964 O SER A 59 8.165 9.786 21.541 1.00 62.53 O ATOM 965 CB SER A 59 8.236 11.758 24.341 1.00 13.40 C ATOM 966 OG SER A 59 7.227 10.825 24.684 1.00 34.33 O ATOM 0 H SER A 59 10.004 13.128 23.335 1.00 4.22 H new ATOM 0 HA SER A 59 9.595 10.297 23.518 1.00 21.22 H new ATOM 0 HB2 SER A 59 8.848 11.971 25.217 1.00 13.40 H new ATOM 0 HB3 SER A 59 7.775 12.698 24.038 1.00 13.40 H new ATOM 0 HG SER A 59 6.678 11.189 25.410 1.00 34.33 H new ATOM 972 N ILE A 60 7.807 12.030 21.302 1.00 74.33 N ATOM 973 CA ILE A 60 6.995 11.956 20.074 1.00 63.20 C ATOM 974 C ILE A 60 7.809 11.319 18.940 1.00 34.34 C ATOM 975 O ILE A 60 7.328 10.423 18.250 1.00 60.43 O ATOM 976 CB ILE A 60 6.484 13.384 19.642 1.00 54.25 C ATOM 977 CG1 ILE A 60 5.567 13.988 20.745 1.00 61.02 C ATOM 978 CG2 ILE A 60 5.747 13.339 18.280 1.00 21.42 C ATOM 979 CD1 ILE A 60 5.148 15.426 20.495 1.00 2.04 C ATOM 0 H ILE A 60 7.961 12.984 21.630 1.00 74.33 H new ATOM 0 HA ILE A 60 6.124 11.334 20.281 1.00 63.20 H new ATOM 0 HB ILE A 60 7.356 14.027 19.520 1.00 54.25 H new ATOM 0 HG12 ILE A 60 4.672 13.372 20.834 1.00 61.02 H new ATOM 0 HG13 ILE A 60 6.087 13.935 21.702 1.00 61.02 H new ATOM 0 HG21 ILE A 60 5.410 14.341 18.016 1.00 21.42 H new ATOM 0 HG22 ILE A 60 6.426 12.970 17.511 1.00 21.42 H new ATOM 0 HG23 ILE A 60 4.886 12.674 18.354 1.00 21.42 H new ATOM 0 HD11 ILE A 60 4.511 15.767 21.312 1.00 2.04 H new ATOM 0 HD12 ILE A 60 6.034 16.058 20.437 1.00 2.04 H new ATOM 0 HD13 ILE A 60 4.597 15.487 19.556 1.00 2.04 H new ATOM 991 N GLN A 61 9.065 11.776 18.824 1.00 24.23 N ATOM 992 CA GLN A 61 10.024 11.342 17.800 1.00 44.41 C ATOM 993 C GLN A 61 10.317 9.833 17.907 1.00 72.33 C ATOM 994 O GLN A 61 10.376 9.141 16.890 1.00 41.01 O ATOM 995 CB GLN A 61 11.314 12.186 17.947 1.00 13.52 C ATOM 996 CG GLN A 61 12.420 11.887 16.930 1.00 60.34 C ATOM 997 CD GLN A 61 13.559 12.909 16.986 1.00 45.35 C ATOM 998 OE1 GLN A 61 14.509 12.758 17.748 1.00 12.31 O ATOM 999 NE2 GLN A 61 13.472 13.959 16.183 1.00 51.13 N ATOM 0 H GLN A 61 9.451 12.476 19.457 1.00 24.23 H new ATOM 0 HA GLN A 61 9.598 11.502 16.809 1.00 44.41 H new ATOM 0 HB2 GLN A 61 11.048 13.240 17.868 1.00 13.52 H new ATOM 0 HB3 GLN A 61 11.715 12.032 18.949 1.00 13.52 H new ATOM 0 HG2 GLN A 61 12.821 10.891 17.116 1.00 60.34 H new ATOM 0 HG3 GLN A 61 11.994 11.877 15.927 1.00 60.34 H new ATOM 0 HE21 GLN A 61 12.671 14.059 15.560 1.00 51.13 H new ATOM 0 HE22 GLN A 61 14.206 14.667 16.188 1.00 51.13 H new ATOM 1008 N ASP A 62 10.464 9.335 19.156 1.00 42.14 N ATOM 1009 CA ASP A 62 10.718 7.903 19.439 1.00 71.23 C ATOM 1010 C ASP A 62 9.492 7.036 19.068 1.00 72.24 C ATOM 1011 O ASP A 62 9.637 5.981 18.422 1.00 12.22 O ATOM 1012 CB ASP A 62 11.087 7.710 20.938 1.00 55.15 C ATOM 1013 CG ASP A 62 11.319 6.234 21.318 1.00 23.42 C ATOM 1014 OD1 ASP A 62 10.423 5.609 21.929 1.00 24.35 O ATOM 1015 OD2 ASP A 62 12.399 5.684 20.997 1.00 74.10 O ATOM 0 H ASP A 62 10.410 9.913 19.995 1.00 42.14 H new ATOM 0 HA ASP A 62 11.557 7.578 18.824 1.00 71.23 H new ATOM 0 HB2 ASP A 62 11.987 8.282 21.161 1.00 55.15 H new ATOM 0 HB3 ASP A 62 10.289 8.118 21.558 1.00 55.15 H new ATOM 1020 N MET A 63 8.284 7.509 19.468 1.00 54.43 N ATOM 1021 CA MET A 63 7.010 6.797 19.209 1.00 14.34 C ATOM 1022 C MET A 63 6.794 6.616 17.708 1.00 61.21 C ATOM 1023 O MET A 63 6.683 5.485 17.218 1.00 3.53 O ATOM 1024 CB MET A 63 5.781 7.547 19.802 1.00 11.33 C ATOM 1025 CG MET A 63 5.765 7.702 21.322 1.00 10.12 C ATOM 1026 SD MET A 63 4.203 8.393 21.920 1.00 65.10 S ATOM 1027 CE MET A 63 4.033 9.884 20.924 1.00 35.11 C ATOM 0 H MET A 63 8.168 8.387 19.974 1.00 54.43 H new ATOM 0 HA MET A 63 7.092 5.827 19.700 1.00 14.34 H new ATOM 0 HB2 MET A 63 5.735 8.540 19.354 1.00 11.33 H new ATOM 0 HB3 MET A 63 4.877 7.019 19.500 1.00 11.33 H new ATOM 0 HG2 MET A 63 5.932 6.730 21.787 1.00 10.12 H new ATOM 0 HG3 MET A 63 6.588 8.348 21.629 1.00 10.12 H new ATOM 0 HE1 MET A 63 3.002 10.234 20.966 1.00 35.11 H new ATOM 0 HE2 MET A 63 4.695 10.658 21.312 1.00 35.11 H new ATOM 0 HE3 MET A 63 4.299 9.663 19.890 1.00 35.11 H new ATOM 1037 N VAL A 64 6.759 7.753 16.987 1.00 15.23 N ATOM 1038 CA VAL A 64 6.463 7.777 15.552 1.00 54.35 C ATOM 1039 C VAL A 64 7.558 7.082 14.732 1.00 65.12 C ATOM 1040 O VAL A 64 7.241 6.492 13.720 1.00 1.12 O ATOM 1041 CB VAL A 64 6.194 9.221 15.008 1.00 73.42 C ATOM 1042 CG1 VAL A 64 5.013 9.879 15.763 1.00 42.12 C ATOM 1043 CG2 VAL A 64 7.460 10.098 15.061 1.00 41.42 C ATOM 0 H VAL A 64 6.935 8.675 17.386 1.00 15.23 H new ATOM 0 HA VAL A 64 5.538 7.214 15.431 1.00 54.35 H new ATOM 0 HB VAL A 64 5.915 9.134 13.958 1.00 73.42 H new ATOM 0 HG11 VAL A 64 4.843 10.881 15.370 1.00 42.12 H new ATOM 0 HG12 VAL A 64 4.114 9.278 15.626 1.00 42.12 H new ATOM 0 HG13 VAL A 64 5.250 9.941 16.825 1.00 42.12 H new ATOM 0 HG21 VAL A 64 7.231 11.091 14.675 1.00 41.42 H new ATOM 0 HG22 VAL A 64 7.803 10.180 16.092 1.00 41.42 H new ATOM 0 HG23 VAL A 64 8.243 9.644 14.453 1.00 41.42 H new ATOM 1053 N ALA A 65 8.829 7.125 15.193 1.00 74.05 N ATOM 1054 CA ALA A 65 9.930 6.370 14.550 1.00 52.25 C ATOM 1055 C ALA A 65 9.665 4.856 14.632 1.00 62.41 C ATOM 1056 O ALA A 65 9.966 4.117 13.694 1.00 53.02 O ATOM 1057 CB ALA A 65 11.287 6.714 15.182 1.00 54.34 C ATOM 0 H ALA A 65 9.117 7.672 16.004 1.00 74.05 H new ATOM 0 HA ALA A 65 9.967 6.662 13.501 1.00 52.25 H new ATOM 0 HB1 ALA A 65 12.074 6.144 14.688 1.00 54.34 H new ATOM 0 HB2 ALA A 65 11.483 7.780 15.065 1.00 54.34 H new ATOM 0 HB3 ALA A 65 11.268 6.463 16.243 1.00 54.34 H new ATOM 1063 N GLY A 66 9.072 4.416 15.768 1.00 63.04 N ATOM 1064 CA GLY A 66 8.633 3.026 15.931 1.00 53.24 C ATOM 1065 C GLY A 66 7.480 2.678 14.996 1.00 1.32 C ATOM 1066 O GLY A 66 7.451 1.586 14.425 1.00 72.53 O ATOM 0 H GLY A 66 8.891 5.009 16.578 1.00 63.04 H new ATOM 0 HA2 GLY A 66 9.471 2.356 15.738 1.00 53.24 H new ATOM 0 HA3 GLY A 66 8.325 2.862 16.964 1.00 53.24 H new ATOM 1070 N TYR A 67 6.546 3.636 14.820 1.00 65.13 N ATOM 1071 CA TYR A 67 5.384 3.480 13.925 1.00 15.30 C ATOM 1072 C TYR A 67 5.818 3.430 12.439 1.00 44.03 C ATOM 1073 O TYR A 67 5.249 2.667 11.651 1.00 51.32 O ATOM 1074 CB TYR A 67 4.352 4.621 14.153 1.00 24.44 C ATOM 1075 CG TYR A 67 3.612 4.563 15.506 1.00 21.43 C ATOM 1076 CD1 TYR A 67 3.581 5.660 16.375 1.00 33.31 C ATOM 1077 CD2 TYR A 67 2.919 3.412 15.900 1.00 52.05 C ATOM 1078 CE1 TYR A 67 2.898 5.611 17.574 1.00 32.22 C ATOM 1079 CE2 TYR A 67 2.237 3.361 17.096 1.00 21.11 C ATOM 1080 CZ TYR A 67 2.227 4.457 17.928 1.00 71.23 C ATOM 1081 OH TYR A 67 1.521 4.402 19.110 1.00 42.32 O ATOM 0 H TYR A 67 6.578 4.538 15.295 1.00 65.13 H new ATOM 0 HA TYR A 67 4.908 2.530 14.168 1.00 15.30 H new ATOM 0 HB2 TYR A 67 4.867 5.578 14.077 1.00 24.44 H new ATOM 0 HB3 TYR A 67 3.615 4.591 13.350 1.00 24.44 H new ATOM 0 HD1 TYR A 67 4.103 6.565 16.101 1.00 33.31 H new ATOM 0 HD2 TYR A 67 2.919 2.547 15.253 1.00 52.05 H new ATOM 0 HE1 TYR A 67 2.889 6.469 18.230 1.00 32.22 H new ATOM 0 HE2 TYR A 67 1.711 2.462 17.380 1.00 21.11 H new ATOM 0 HH TYR A 67 1.108 3.518 19.204 1.00 42.32 H new ATOM 1091 N ILE A 68 6.851 4.228 12.082 1.00 3.55 N ATOM 1092 CA ILE A 68 7.396 4.270 10.712 1.00 11.30 C ATOM 1093 C ILE A 68 8.154 2.959 10.425 1.00 32.44 C ATOM 1094 O ILE A 68 8.027 2.390 9.352 1.00 65.12 O ATOM 1095 CB ILE A 68 8.347 5.507 10.453 1.00 65.52 C ATOM 1096 CG1 ILE A 68 7.617 6.853 10.732 1.00 21.21 C ATOM 1097 CG2 ILE A 68 8.877 5.495 8.996 1.00 34.40 C ATOM 1098 CD1 ILE A 68 8.501 8.093 10.654 1.00 20.21 C ATOM 0 H ILE A 68 7.325 4.855 12.732 1.00 3.55 H new ATOM 0 HA ILE A 68 6.549 4.383 10.035 1.00 11.30 H new ATOM 0 HB ILE A 68 9.188 5.420 11.142 1.00 65.52 H new ATOM 0 HG12 ILE A 68 6.801 6.961 10.018 1.00 21.21 H new ATOM 0 HG13 ILE A 68 7.168 6.807 11.724 1.00 21.21 H new ATOM 0 HG21 ILE A 68 9.529 6.354 8.839 1.00 34.40 H new ATOM 0 HG22 ILE A 68 9.438 4.577 8.820 1.00 34.40 H new ATOM 0 HG23 ILE A 68 8.037 5.545 8.303 1.00 34.40 H new ATOM 0 HD11 ILE A 68 7.903 8.980 10.863 1.00 20.21 H new ATOM 0 HD12 ILE A 68 9.303 8.015 11.388 1.00 20.21 H new ATOM 0 HD13 ILE A 68 8.930 8.172 9.655 1.00 20.21 H new ATOM 1110 N LYS A 69 8.912 2.480 11.426 1.00 5.45 N ATOM 1111 CA LYS A 69 9.669 1.213 11.338 1.00 30.41 C ATOM 1112 C LYS A 69 8.720 0.026 11.056 1.00 62.42 C ATOM 1113 O LYS A 69 9.009 -0.831 10.203 1.00 53.42 O ATOM 1114 CB LYS A 69 10.442 0.985 12.658 1.00 23.20 C ATOM 1115 CG LYS A 69 11.342 -0.273 12.681 1.00 30.14 C ATOM 1116 CD LYS A 69 12.064 -0.465 14.032 1.00 12.33 C ATOM 1117 CE LYS A 69 11.094 -0.610 15.223 1.00 33.25 C ATOM 1118 NZ LYS A 69 10.179 -1.781 15.083 1.00 1.13 N ATOM 0 H LYS A 69 9.019 2.958 12.321 1.00 5.45 H new ATOM 0 HA LYS A 69 10.377 1.279 10.512 1.00 30.41 H new ATOM 0 HB2 LYS A 69 11.062 1.860 12.854 1.00 23.20 H new ATOM 0 HB3 LYS A 69 9.723 0.914 13.474 1.00 23.20 H new ATOM 0 HG2 LYS A 69 10.734 -1.153 12.470 1.00 30.14 H new ATOM 0 HG3 LYS A 69 12.083 -0.199 11.885 1.00 30.14 H new ATOM 0 HD2 LYS A 69 12.696 -1.351 13.976 1.00 12.33 H new ATOM 0 HD3 LYS A 69 12.722 0.385 14.209 1.00 12.33 H new ATOM 0 HE2 LYS A 69 11.669 -0.711 16.144 1.00 33.25 H new ATOM 0 HE3 LYS A 69 10.501 0.300 15.316 1.00 33.25 H new ATOM 0 HZ1 LYS A 69 9.573 -1.851 15.925 1.00 1.13 H new ATOM 0 HZ2 LYS A 69 9.585 -1.658 14.238 1.00 1.13 H new ATOM 0 HZ3 LYS A 69 10.741 -2.651 14.988 1.00 1.13 H new ATOM 1132 N GLN A 70 7.580 0.013 11.777 1.00 20.31 N ATOM 1133 CA GLN A 70 6.533 -1.010 11.618 1.00 73.41 C ATOM 1134 C GLN A 70 5.915 -0.946 10.218 1.00 42.44 C ATOM 1135 O GLN A 70 5.869 -1.955 9.516 1.00 0.04 O ATOM 1136 CB GLN A 70 5.424 -0.843 12.684 1.00 63.23 C ATOM 1137 CG GLN A 70 5.834 -1.245 14.111 1.00 31.21 C ATOM 1138 CD GLN A 70 4.713 -1.076 15.143 1.00 33.30 C ATOM 1139 OE1 GLN A 70 3.456 -1.246 14.732 1.00 64.03 O flip ATOM 1140 NE2 GLN A 70 4.976 -0.809 16.319 1.00 3.24 N flip ATOM 0 H GLN A 70 7.362 0.713 12.486 1.00 20.31 H new ATOM 0 HA GLN A 70 7.005 -1.983 11.753 1.00 73.41 H new ATOM 0 HB2 GLN A 70 5.103 0.199 12.693 1.00 63.23 H new ATOM 0 HB3 GLN A 70 4.562 -1.440 12.387 1.00 63.23 H new ATOM 0 HG2 GLN A 70 6.159 -2.285 14.107 1.00 31.21 H new ATOM 0 HG3 GLN A 70 6.691 -0.645 14.416 1.00 31.21 H new ATOM 0 HE21 GLN A 70 5.946 -0.684 16.609 1.00 3.24 H new ATOM 0 HE22 GLN A 70 4.223 -0.714 17.001 1.00 3.24 H new ATOM 1149 N THR A 71 5.484 0.264 9.816 1.00 71.24 N ATOM 1150 CA THR A 71 4.762 0.458 8.558 1.00 0.35 C ATOM 1151 C THR A 71 5.665 0.144 7.349 1.00 52.24 C ATOM 1152 O THR A 71 5.176 -0.349 6.353 1.00 75.11 O ATOM 1153 CB THR A 71 4.136 1.890 8.444 1.00 52.44 C ATOM 1154 OG1 THR A 71 3.115 1.899 7.443 1.00 21.01 O ATOM 1155 CG2 THR A 71 5.153 2.991 8.105 1.00 60.42 C ATOM 0 H THR A 71 5.627 1.121 10.351 1.00 71.24 H new ATOM 0 HA THR A 71 3.931 -0.248 8.555 1.00 0.35 H new ATOM 0 HB THR A 71 3.732 2.113 9.431 1.00 52.44 H new ATOM 0 HG1 THR A 71 3.147 2.746 6.950 1.00 21.01 H new ATOM 0 HG21 THR A 71 4.642 3.952 8.044 1.00 60.42 H new ATOM 0 HG22 THR A 71 5.915 3.034 8.883 1.00 60.42 H new ATOM 0 HG23 THR A 71 5.624 2.769 7.147 1.00 60.42 H new ATOM 1163 N LEU A 72 6.991 0.395 7.485 1.00 41.43 N ATOM 1164 CA LEU A 72 7.995 0.057 6.453 1.00 70.54 C ATOM 1165 C LEU A 72 8.139 -1.456 6.300 1.00 21.33 C ATOM 1166 O LEU A 72 8.210 -1.956 5.178 1.00 54.22 O ATOM 1167 CB LEU A 72 9.379 0.678 6.791 1.00 42.23 C ATOM 1168 CG LEU A 72 9.494 2.215 6.603 1.00 54.20 C ATOM 1169 CD1 LEU A 72 10.823 2.739 7.175 1.00 2.24 C ATOM 1170 CD2 LEU A 72 9.333 2.584 5.115 1.00 75.13 C ATOM 0 H LEU A 72 7.391 0.837 8.313 1.00 41.43 H new ATOM 0 HA LEU A 72 7.641 0.476 5.511 1.00 70.54 H new ATOM 0 HB2 LEU A 72 9.620 0.439 7.827 1.00 42.23 H new ATOM 0 HB3 LEU A 72 10.134 0.197 6.168 1.00 42.23 H new ATOM 0 HG LEU A 72 8.689 2.697 7.158 1.00 54.20 H new ATOM 0 HD11 LEU A 72 10.881 3.818 7.032 1.00 2.24 H new ATOM 0 HD12 LEU A 72 10.876 2.511 8.240 1.00 2.24 H new ATOM 0 HD13 LEU A 72 11.655 2.260 6.660 1.00 2.24 H new ATOM 0 HD21 LEU A 72 9.416 3.664 4.997 1.00 75.13 H new ATOM 0 HD22 LEU A 72 10.113 2.095 4.532 1.00 75.13 H new ATOM 0 HD23 LEU A 72 8.356 2.254 4.762 1.00 75.13 H new ATOM 1182 N ASP A 73 8.204 -2.158 7.447 1.00 22.31 N ATOM 1183 CA ASP A 73 8.318 -3.626 7.498 1.00 20.22 C ATOM 1184 C ASP A 73 7.112 -4.282 6.806 1.00 34.14 C ATOM 1185 O ASP A 73 7.274 -5.123 5.919 1.00 30.23 O ATOM 1186 CB ASP A 73 8.424 -4.105 8.976 1.00 74.11 C ATOM 1187 CG ASP A 73 8.400 -5.641 9.112 1.00 70.43 C ATOM 1188 OD1 ASP A 73 7.383 -6.198 9.573 1.00 52.35 O ATOM 1189 OD2 ASP A 73 9.400 -6.298 8.746 1.00 34.12 O ATOM 0 H ASP A 73 8.179 -1.720 8.368 1.00 22.31 H new ATOM 0 HA ASP A 73 9.223 -3.925 6.969 1.00 20.22 H new ATOM 0 HB2 ASP A 73 9.346 -3.721 9.412 1.00 74.11 H new ATOM 0 HB3 ASP A 73 7.600 -3.681 9.550 1.00 74.11 H new ATOM 1194 N ASN A 74 5.907 -3.834 7.197 1.00 30.21 N ATOM 1195 CA ASN A 74 4.643 -4.375 6.686 1.00 74.42 C ATOM 1196 C ASN A 74 4.481 -4.068 5.189 1.00 71.25 C ATOM 1197 O ASN A 74 4.133 -4.954 4.408 1.00 32.33 O ATOM 1198 CB ASN A 74 3.447 -3.801 7.487 1.00 33.45 C ATOM 1199 CG ASN A 74 3.541 -4.004 9.011 1.00 34.02 C ATOM 1200 OD1 ASN A 74 4.192 -5.070 9.468 1.00 61.12 O flip ATOM 1201 ND2 ASN A 74 3.027 -3.196 9.784 1.00 41.14 N flip ATOM 0 H ASN A 74 5.785 -3.085 7.878 1.00 30.21 H new ATOM 0 HA ASN A 74 4.661 -5.458 6.812 1.00 74.42 H new ATOM 0 HB2 ASN A 74 3.366 -2.734 7.280 1.00 33.45 H new ATOM 0 HB3 ASN A 74 2.529 -4.266 7.127 1.00 33.45 H new ATOM 0 HD21 ASN A 74 2.531 -2.384 9.417 1.00 41.14 H new ATOM 0 HD22 ASN A 74 3.097 -3.339 10.792 1.00 41.14 H new ATOM 1208 N GLU A 75 4.783 -2.816 4.810 1.00 62.51 N ATOM 1209 CA GLU A 75 4.661 -2.314 3.424 1.00 1.42 C ATOM 1210 C GLU A 75 5.725 -2.934 2.495 1.00 13.24 C ATOM 1211 O GLU A 75 5.515 -3.042 1.286 1.00 71.31 O ATOM 1212 CB GLU A 75 4.733 -0.772 3.460 1.00 63.24 C ATOM 1213 CG GLU A 75 4.525 -0.036 2.133 1.00 41.34 C ATOM 1214 CD GLU A 75 4.317 1.473 2.336 1.00 11.40 C ATOM 1215 OE1 GLU A 75 3.164 1.949 2.202 1.00 3.05 O ATOM 1216 OE2 GLU A 75 5.283 2.180 2.675 1.00 34.20 O ATOM 0 H GLU A 75 5.124 -2.111 5.464 1.00 62.51 H new ATOM 0 HA GLU A 75 3.701 -2.616 3.004 1.00 1.42 H new ATOM 0 HB2 GLU A 75 3.985 -0.414 4.167 1.00 63.24 H new ATOM 0 HB3 GLU A 75 5.708 -0.487 3.856 1.00 63.24 H new ATOM 0 HG2 GLU A 75 5.389 -0.199 1.489 1.00 41.34 H new ATOM 0 HG3 GLU A 75 3.660 -0.455 1.618 1.00 41.34 H new ATOM 1223 N GLN A 76 6.846 -3.368 3.095 1.00 23.01 N ATOM 1224 CA GLN A 76 7.885 -4.154 2.405 1.00 2.25 C ATOM 1225 C GLN A 76 7.323 -5.532 2.024 1.00 43.11 C ATOM 1226 O GLN A 76 7.432 -5.968 0.873 1.00 54.33 O ATOM 1227 CB GLN A 76 9.114 -4.324 3.333 1.00 3.11 C ATOM 1228 CG GLN A 76 10.215 -5.278 2.822 1.00 21.21 C ATOM 1229 CD GLN A 76 11.309 -5.566 3.857 1.00 1.53 C ATOM 1230 OE1 GLN A 76 10.946 -5.624 5.143 1.00 12.55 O flip ATOM 1231 NE2 GLN A 76 12.470 -5.776 3.504 1.00 12.50 N flip ATOM 0 H GLN A 76 7.059 -3.183 4.075 1.00 23.01 H new ATOM 0 HA GLN A 76 8.192 -3.630 1.500 1.00 2.25 H new ATOM 0 HB2 GLN A 76 9.558 -3.343 3.499 1.00 3.11 H new ATOM 0 HB3 GLN A 76 8.767 -4.685 4.301 1.00 3.11 H new ATOM 0 HG2 GLN A 76 9.756 -6.219 2.520 1.00 21.21 H new ATOM 0 HG3 GLN A 76 10.673 -4.846 1.932 1.00 21.21 H new ATOM 0 HE21 GLN A 76 12.720 -5.725 2.516 1.00 12.50 H new ATOM 0 HE22 GLN A 76 13.182 -6.001 4.199 1.00 12.50 H new ATOM 1240 N LEU A 77 6.689 -6.194 3.013 1.00 23.03 N ATOM 1241 CA LEU A 77 6.098 -7.528 2.829 1.00 55.32 C ATOM 1242 C LEU A 77 4.911 -7.463 1.843 1.00 22.12 C ATOM 1243 O LEU A 77 4.683 -8.407 1.093 1.00 20.13 O ATOM 1244 CB LEU A 77 5.665 -8.122 4.195 1.00 62.13 C ATOM 1245 CG LEU A 77 6.779 -8.230 5.286 1.00 43.11 C ATOM 1246 CD1 LEU A 77 6.227 -8.827 6.595 1.00 12.45 C ATOM 1247 CD2 LEU A 77 8.006 -9.016 4.775 1.00 51.34 C ATOM 0 H LEU A 77 6.575 -5.819 3.955 1.00 23.03 H new ATOM 0 HA LEU A 77 6.852 -8.189 2.400 1.00 55.32 H new ATOM 0 HB2 LEU A 77 4.855 -7.511 4.593 1.00 62.13 H new ATOM 0 HB3 LEU A 77 5.258 -9.118 4.022 1.00 62.13 H new ATOM 0 HG LEU A 77 7.117 -7.217 5.506 1.00 43.11 H new ATOM 0 HD11 LEU A 77 7.027 -8.888 7.333 1.00 12.45 H new ATOM 0 HD12 LEU A 77 5.429 -8.190 6.977 1.00 12.45 H new ATOM 0 HD13 LEU A 77 5.834 -9.825 6.402 1.00 12.45 H new ATOM 0 HD21 LEU A 77 8.758 -9.069 5.562 1.00 51.34 H new ATOM 0 HD22 LEU A 77 7.701 -10.025 4.496 1.00 51.34 H new ATOM 0 HD23 LEU A 77 8.426 -8.510 3.906 1.00 51.34 H new ATOM 1259 N LEU A 78 4.186 -6.315 1.850 1.00 44.33 N ATOM 1260 CA LEU A 78 3.127 -6.012 0.860 1.00 42.43 C ATOM 1261 C LEU A 78 3.723 -5.927 -0.545 1.00 71.11 C ATOM 1262 O LEU A 78 3.220 -6.545 -1.464 1.00 44.30 O ATOM 1263 CB LEU A 78 2.423 -4.661 1.172 1.00 30.24 C ATOM 1264 CG LEU A 78 1.571 -4.600 2.466 1.00 5.42 C ATOM 1265 CD1 LEU A 78 1.135 -3.149 2.748 1.00 73.51 C ATOM 1266 CD2 LEU A 78 0.359 -5.555 2.380 1.00 23.44 C ATOM 0 H LEU A 78 4.321 -5.577 2.541 1.00 44.33 H new ATOM 0 HA LEU A 78 2.396 -6.819 0.916 1.00 42.43 H new ATOM 0 HB2 LEU A 78 3.187 -3.886 1.231 1.00 30.24 H new ATOM 0 HB3 LEU A 78 1.779 -4.411 0.329 1.00 30.24 H new ATOM 0 HG LEU A 78 2.183 -4.936 3.303 1.00 5.42 H new ATOM 0 HD11 LEU A 78 0.537 -3.119 3.659 1.00 73.51 H new ATOM 0 HD12 LEU A 78 2.018 -2.522 2.872 1.00 73.51 H new ATOM 0 HD13 LEU A 78 0.541 -2.779 1.912 1.00 73.51 H new ATOM 0 HD21 LEU A 78 -0.220 -5.491 3.301 1.00 23.44 H new ATOM 0 HD22 LEU A 78 -0.269 -5.271 1.536 1.00 23.44 H new ATOM 0 HD23 LEU A 78 0.711 -6.578 2.242 1.00 23.44 H new ATOM 1278 N LYS A 79 4.817 -5.152 -0.667 1.00 43.30 N ATOM 1279 CA LYS A 79 5.502 -4.894 -1.943 1.00 0.10 C ATOM 1280 C LYS A 79 5.842 -6.210 -2.671 1.00 41.23 C ATOM 1281 O LYS A 79 5.480 -6.384 -3.836 1.00 52.13 O ATOM 1282 CB LYS A 79 6.780 -4.056 -1.680 1.00 33.11 C ATOM 1283 CG LYS A 79 7.641 -3.769 -2.921 1.00 71.03 C ATOM 1284 CD LYS A 79 8.851 -2.862 -2.603 1.00 34.44 C ATOM 1285 CE LYS A 79 9.790 -2.695 -3.806 1.00 54.30 C ATOM 1286 NZ LYS A 79 9.093 -2.125 -4.990 1.00 23.04 N ATOM 0 H LYS A 79 5.253 -4.683 0.127 1.00 43.30 H new ATOM 0 HA LYS A 79 4.834 -4.331 -2.595 1.00 0.10 H new ATOM 0 HB2 LYS A 79 6.487 -3.106 -1.233 1.00 33.11 H new ATOM 0 HB3 LYS A 79 7.393 -4.578 -0.945 1.00 33.11 H new ATOM 0 HG2 LYS A 79 7.997 -4.711 -3.339 1.00 71.03 H new ATOM 0 HG3 LYS A 79 7.025 -3.294 -3.685 1.00 71.03 H new ATOM 0 HD2 LYS A 79 8.494 -1.882 -2.286 1.00 34.44 H new ATOM 0 HD3 LYS A 79 9.408 -3.284 -1.767 1.00 34.44 H new ATOM 0 HE2 LYS A 79 10.621 -2.046 -3.529 1.00 54.30 H new ATOM 0 HE3 LYS A 79 10.216 -3.663 -4.069 1.00 54.30 H new ATOM 0 HZ1 LYS A 79 9.721 -2.172 -5.818 1.00 23.04 H new ATOM 0 HZ2 LYS A 79 8.228 -2.671 -5.180 1.00 23.04 H new ATOM 0 HZ3 LYS A 79 8.842 -1.134 -4.801 1.00 23.04 H new ATOM 1300 N GLY A 80 6.482 -7.146 -1.940 1.00 31.43 N ATOM 1301 CA GLY A 80 6.868 -8.452 -2.493 1.00 64.43 C ATOM 1302 C GLY A 80 5.681 -9.379 -2.762 1.00 51.41 C ATOM 1303 O GLY A 80 5.621 -10.006 -3.824 1.00 31.41 O ATOM 0 H GLY A 80 6.741 -7.017 -0.962 1.00 31.43 H new ATOM 0 HA2 GLY A 80 7.414 -8.296 -3.423 1.00 64.43 H new ATOM 0 HA3 GLY A 80 7.552 -8.943 -1.800 1.00 64.43 H new ATOM 1307 N LEU A 81 4.738 -9.445 -1.799 1.00 2.13 N ATOM 1308 CA LEU A 81 3.535 -10.314 -1.873 1.00 54.21 C ATOM 1309 C LEU A 81 2.696 -9.935 -3.109 1.00 73.10 C ATOM 1310 O LEU A 81 2.439 -10.772 -3.986 1.00 62.52 O ATOM 1311 CB LEU A 81 2.714 -10.155 -0.550 1.00 11.04 C ATOM 1312 CG LEU A 81 1.587 -11.201 -0.216 1.00 43.34 C ATOM 1313 CD1 LEU A 81 1.187 -11.095 1.273 1.00 3.31 C ATOM 1314 CD2 LEU A 81 0.330 -11.051 -1.109 1.00 61.12 C ATOM 0 H LEU A 81 4.786 -8.895 -0.941 1.00 2.13 H new ATOM 0 HA LEU A 81 3.826 -11.359 -1.977 1.00 54.21 H new ATOM 0 HB2 LEU A 81 3.422 -10.160 0.278 1.00 11.04 H new ATOM 0 HB3 LEU A 81 2.251 -9.168 -0.568 1.00 11.04 H new ATOM 0 HG LEU A 81 2.007 -12.185 -0.423 1.00 43.34 H new ATOM 0 HD11 LEU A 81 0.406 -11.823 1.493 1.00 3.31 H new ATOM 0 HD12 LEU A 81 2.057 -11.295 1.899 1.00 3.31 H new ATOM 0 HD13 LEU A 81 0.815 -10.091 1.479 1.00 3.31 H new ATOM 0 HD21 LEU A 81 -0.408 -11.802 -0.827 1.00 61.12 H new ATOM 0 HD22 LEU A 81 -0.095 -10.056 -0.975 1.00 61.12 H new ATOM 0 HD23 LEU A 81 0.607 -11.189 -2.154 1.00 61.12 H new ATOM 1326 N LEU A 82 2.310 -8.648 -3.157 1.00 10.11 N ATOM 1327 CA LEU A 82 1.516 -8.076 -4.244 1.00 62.32 C ATOM 1328 C LEU A 82 2.282 -8.136 -5.577 1.00 4.45 C ATOM 1329 O LEU A 82 1.657 -8.243 -6.611 1.00 33.01 O ATOM 1330 CB LEU A 82 1.091 -6.608 -3.924 1.00 25.12 C ATOM 1331 CG LEU A 82 0.288 -6.384 -2.596 1.00 73.34 C ATOM 1332 CD1 LEU A 82 -0.087 -4.896 -2.413 1.00 50.31 C ATOM 1333 CD2 LEU A 82 -0.955 -7.292 -2.518 1.00 53.02 C ATOM 0 H LEU A 82 2.547 -7.973 -2.430 1.00 10.11 H new ATOM 0 HA LEU A 82 0.611 -8.676 -4.340 1.00 62.32 H new ATOM 0 HB2 LEU A 82 1.990 -5.993 -3.886 1.00 25.12 H new ATOM 0 HB3 LEU A 82 0.488 -6.239 -4.753 1.00 25.12 H new ATOM 0 HG LEU A 82 0.942 -6.665 -1.770 1.00 73.34 H new ATOM 0 HD11 LEU A 82 -0.643 -4.773 -1.484 1.00 50.31 H new ATOM 0 HD12 LEU A 82 0.821 -4.294 -2.375 1.00 50.31 H new ATOM 0 HD13 LEU A 82 -0.704 -4.571 -3.251 1.00 50.31 H new ATOM 0 HD21 LEU A 82 -1.483 -7.106 -1.583 1.00 53.02 H new ATOM 0 HD22 LEU A 82 -1.616 -7.077 -3.358 1.00 53.02 H new ATOM 0 HD23 LEU A 82 -0.646 -8.336 -2.558 1.00 53.02 H new ATOM 1345 N GLN A 83 3.639 -8.070 -5.543 1.00 24.23 N ATOM 1346 CA GLN A 83 4.474 -8.174 -6.768 1.00 31.42 C ATOM 1347 C GLN A 83 4.287 -9.535 -7.444 1.00 33.34 C ATOM 1348 O GLN A 83 4.139 -9.611 -8.666 1.00 11.42 O ATOM 1349 CB GLN A 83 5.974 -7.949 -6.459 1.00 44.45 C ATOM 1350 CG GLN A 83 6.877 -7.911 -7.710 1.00 42.42 C ATOM 1351 CD GLN A 83 8.375 -7.793 -7.420 1.00 35.11 C ATOM 1352 OE1 GLN A 83 8.841 -8.411 -6.338 1.00 30.25 O flip ATOM 1353 NE2 GLN A 83 9.117 -7.186 -8.194 1.00 50.30 N flip ATOM 0 H GLN A 83 4.175 -7.946 -4.684 1.00 24.23 H new ATOM 0 HA GLN A 83 4.142 -7.389 -7.447 1.00 31.42 H new ATOM 0 HB2 GLN A 83 6.085 -7.011 -5.915 1.00 44.45 H new ATOM 0 HB3 GLN A 83 6.321 -8.743 -5.798 1.00 44.45 H new ATOM 0 HG2 GLN A 83 6.705 -8.816 -8.292 1.00 42.42 H new ATOM 0 HG3 GLN A 83 6.575 -7.069 -8.333 1.00 42.42 H new ATOM 0 HE21 GLN A 83 8.728 -6.722 -9.015 1.00 50.30 H new ATOM 0 HE22 GLN A 83 10.120 -7.147 -8.014 1.00 50.30 H new ATOM 1362 N GLN A 84 4.296 -10.596 -6.617 1.00 35.51 N ATOM 1363 CA GLN A 84 4.088 -11.974 -7.082 1.00 44.41 C ATOM 1364 C GLN A 84 2.686 -12.115 -7.682 1.00 33.12 C ATOM 1365 O GLN A 84 2.534 -12.580 -8.814 1.00 13.33 O ATOM 1366 CB GLN A 84 4.283 -12.972 -5.918 1.00 64.02 C ATOM 1367 CG GLN A 84 5.686 -12.923 -5.284 1.00 65.52 C ATOM 1368 CD GLN A 84 5.869 -13.855 -4.080 1.00 31.21 C ATOM 1369 OE1 GLN A 84 6.626 -13.550 -3.158 1.00 72.15 O ATOM 1370 NE2 GLN A 84 5.206 -15.005 -4.079 1.00 51.21 N ATOM 0 H GLN A 84 4.447 -10.520 -5.611 1.00 35.51 H new ATOM 0 HA GLN A 84 4.824 -12.202 -7.853 1.00 44.41 H new ATOM 0 HB2 GLN A 84 3.539 -12.767 -5.148 1.00 64.02 H new ATOM 0 HB3 GLN A 84 4.094 -13.982 -6.282 1.00 64.02 H new ATOM 0 HG2 GLN A 84 6.424 -13.181 -6.044 1.00 65.52 H new ATOM 0 HG3 GLN A 84 5.895 -11.900 -4.971 1.00 65.52 H new ATOM 0 HE21 GLN A 84 4.584 -15.236 -4.854 1.00 51.21 H new ATOM 0 HE22 GLN A 84 5.318 -15.658 -3.303 1.00 51.21 H new ATOM 1379 N ARG A 85 1.680 -11.643 -6.916 1.00 61.42 N ATOM 1380 CA ARG A 85 0.261 -11.707 -7.300 1.00 44.14 C ATOM 1381 C ARG A 85 0.017 -10.997 -8.644 1.00 73.32 C ATOM 1382 O ARG A 85 -0.485 -11.613 -9.565 1.00 53.03 O ATOM 1383 CB ARG A 85 -0.630 -11.095 -6.185 1.00 71.42 C ATOM 1384 CG ARG A 85 -0.602 -11.852 -4.833 1.00 41.42 C ATOM 1385 CD ARG A 85 -1.395 -13.181 -4.828 1.00 63.14 C ATOM 1386 NE ARG A 85 -0.752 -14.306 -5.556 1.00 32.41 N ATOM 1387 CZ ARG A 85 -0.928 -15.615 -5.249 1.00 61.33 C ATOM 1388 NH1 ARG A 85 -1.706 -15.990 -4.237 1.00 0.34 N ATOM 1389 NH2 ARG A 85 -0.361 -16.558 -5.988 1.00 2.11 N ATOM 0 H ARG A 85 1.835 -11.204 -6.008 1.00 61.42 H new ATOM 0 HA ARG A 85 -0.010 -12.756 -7.424 1.00 44.14 H new ATOM 0 HB2 ARG A 85 -0.316 -10.065 -6.014 1.00 71.42 H new ATOM 0 HB3 ARG A 85 -1.659 -11.059 -6.542 1.00 71.42 H new ATOM 0 HG2 ARG A 85 0.435 -12.061 -4.569 1.00 41.42 H new ATOM 0 HG3 ARG A 85 -1.004 -11.200 -4.057 1.00 41.42 H new ATOM 0 HD2 ARG A 85 -1.557 -13.484 -3.794 1.00 63.14 H new ATOM 0 HD3 ARG A 85 -2.377 -13.001 -5.265 1.00 63.14 H new ATOM 0 HE ARG A 85 -0.138 -14.078 -6.338 1.00 32.41 H new ATOM 0 HH11 ARG A 85 -2.185 -15.287 -3.674 1.00 0.34 H new ATOM 0 HH12 ARG A 85 -1.824 -16.981 -4.024 1.00 0.34 H new ATOM 0 HH21 ARG A 85 0.211 -16.301 -6.792 1.00 2.11 H new ATOM 0 HH22 ARG A 85 -0.497 -17.541 -5.752 1.00 2.11 H new ATOM 1403 N LEU A 86 0.440 -9.722 -8.741 1.00 33.20 N ATOM 1404 CA LEU A 86 0.259 -8.875 -9.945 1.00 24.02 C ATOM 1405 C LEU A 86 0.976 -9.443 -11.175 1.00 14.31 C ATOM 1406 O LEU A 86 0.476 -9.311 -12.287 1.00 10.34 O ATOM 1407 CB LEU A 86 0.764 -7.428 -9.689 1.00 34.30 C ATOM 1408 CG LEU A 86 -0.052 -6.593 -8.662 1.00 22.44 C ATOM 1409 CD1 LEU A 86 0.576 -5.206 -8.454 1.00 1.35 C ATOM 1410 CD2 LEU A 86 -1.527 -6.490 -9.082 1.00 53.24 C ATOM 0 H LEU A 86 0.922 -9.243 -7.981 1.00 33.20 H new ATOM 0 HA LEU A 86 -0.812 -8.863 -10.149 1.00 24.02 H new ATOM 0 HB2 LEU A 86 1.797 -7.480 -9.346 1.00 34.30 H new ATOM 0 HB3 LEU A 86 0.770 -6.893 -10.639 1.00 34.30 H new ATOM 0 HG LEU A 86 -0.021 -7.112 -7.704 1.00 22.44 H new ATOM 0 HD11 LEU A 86 -0.015 -4.644 -7.731 1.00 1.35 H new ATOM 0 HD12 LEU A 86 1.594 -5.320 -8.081 1.00 1.35 H new ATOM 0 HD13 LEU A 86 0.595 -4.669 -9.403 1.00 1.35 H new ATOM 0 HD21 LEU A 86 -2.075 -5.901 -8.346 1.00 53.24 H new ATOM 0 HD22 LEU A 86 -1.595 -6.007 -10.057 1.00 53.24 H new ATOM 0 HD23 LEU A 86 -1.959 -7.489 -9.141 1.00 53.24 H new ATOM 1422 N ASP A 87 2.149 -10.059 -10.954 1.00 21.21 N ATOM 1423 CA ASP A 87 2.936 -10.722 -12.013 1.00 51.31 C ATOM 1424 C ASP A 87 2.103 -11.861 -12.647 1.00 43.40 C ATOM 1425 O ASP A 87 2.000 -11.973 -13.878 1.00 31.22 O ATOM 1426 CB ASP A 87 4.262 -11.271 -11.413 1.00 3.31 C ATOM 1427 CG ASP A 87 5.155 -11.999 -12.432 1.00 21.12 C ATOM 1428 OD1 ASP A 87 5.418 -13.210 -12.264 1.00 15.34 O ATOM 1429 OD2 ASP A 87 5.608 -11.359 -13.398 1.00 70.31 O ATOM 0 H ASP A 87 2.582 -10.113 -10.032 1.00 21.21 H new ATOM 0 HA ASP A 87 3.182 -10.002 -12.793 1.00 51.31 H new ATOM 0 HB2 ASP A 87 4.823 -10.443 -10.980 1.00 3.31 H new ATOM 0 HB3 ASP A 87 4.024 -11.956 -10.599 1.00 3.31 H new ATOM 1434 N GLU A 88 1.447 -12.642 -11.766 1.00 73.22 N ATOM 1435 CA GLU A 88 0.578 -13.770 -12.151 1.00 34.42 C ATOM 1436 C GLU A 88 -0.699 -13.261 -12.844 1.00 44.50 C ATOM 1437 O GLU A 88 -1.006 -13.696 -13.951 1.00 33.34 O ATOM 1438 CB GLU A 88 0.241 -14.618 -10.893 1.00 71.24 C ATOM 1439 CG GLU A 88 1.484 -15.247 -10.241 1.00 32.32 C ATOM 1440 CD GLU A 88 1.210 -15.839 -8.856 1.00 45.53 C ATOM 1441 OE1 GLU A 88 0.955 -17.061 -8.743 1.00 15.21 O ATOM 1442 OE2 GLU A 88 1.237 -15.083 -7.866 1.00 40.13 O ATOM 0 H GLU A 88 1.507 -12.505 -10.757 1.00 73.22 H new ATOM 0 HA GLU A 88 1.104 -14.403 -12.865 1.00 34.42 H new ATOM 0 HB2 GLU A 88 -0.266 -13.988 -10.162 1.00 71.24 H new ATOM 0 HB3 GLU A 88 -0.456 -15.409 -11.171 1.00 71.24 H new ATOM 0 HG2 GLU A 88 1.870 -16.031 -10.893 1.00 32.32 H new ATOM 0 HG3 GLU A 88 2.263 -14.490 -10.157 1.00 32.32 H new ATOM 1449 N LEU A 89 -1.390 -12.281 -12.201 1.00 21.34 N ATOM 1450 CA LEU A 89 -2.663 -11.703 -12.699 1.00 50.25 C ATOM 1451 C LEU A 89 -2.466 -11.111 -14.104 1.00 23.51 C ATOM 1452 O LEU A 89 -3.264 -11.366 -14.997 1.00 64.44 O ATOM 1453 CB LEU A 89 -3.215 -10.605 -11.730 1.00 64.41 C ATOM 1454 CG LEU A 89 -3.492 -11.050 -10.258 1.00 15.13 C ATOM 1455 CD1 LEU A 89 -4.002 -9.873 -9.404 1.00 13.54 C ATOM 1456 CD2 LEU A 89 -4.455 -12.254 -10.194 1.00 70.43 C ATOM 0 H LEU A 89 -1.077 -11.871 -11.321 1.00 21.34 H new ATOM 0 HA LEU A 89 -3.395 -12.509 -12.746 1.00 50.25 H new ATOM 0 HB2 LEU A 89 -2.503 -9.780 -11.709 1.00 64.41 H new ATOM 0 HB3 LEU A 89 -4.143 -10.215 -12.149 1.00 64.41 H new ATOM 0 HG LEU A 89 -2.542 -11.378 -9.835 1.00 15.13 H new ATOM 0 HD11 LEU A 89 -4.185 -10.215 -8.385 1.00 13.54 H new ATOM 0 HD12 LEU A 89 -3.253 -9.081 -9.392 1.00 13.54 H new ATOM 0 HD13 LEU A 89 -4.929 -9.489 -9.830 1.00 13.54 H new ATOM 0 HD21 LEU A 89 -4.621 -12.532 -9.153 1.00 70.43 H new ATOM 0 HD22 LEU A 89 -5.406 -11.984 -10.654 1.00 70.43 H new ATOM 0 HD23 LEU A 89 -4.019 -13.097 -10.730 1.00 70.43 H new ATOM 1468 N SER A 90 -1.352 -10.374 -14.279 1.00 32.32 N ATOM 1469 CA SER A 90 -0.982 -9.726 -15.553 1.00 50.41 C ATOM 1470 C SER A 90 -0.777 -10.769 -16.665 1.00 23.31 C ATOM 1471 O SER A 90 -1.283 -10.604 -17.788 1.00 3.32 O ATOM 1472 CB SER A 90 0.313 -8.900 -15.360 1.00 63.32 C ATOM 1473 OG SER A 90 0.675 -8.196 -16.536 1.00 71.20 O ATOM 0 H SER A 90 -0.677 -10.210 -13.532 1.00 32.32 H new ATOM 0 HA SER A 90 -1.796 -9.066 -15.853 1.00 50.41 H new ATOM 0 HB2 SER A 90 0.173 -8.192 -14.543 1.00 63.32 H new ATOM 0 HB3 SER A 90 1.127 -9.565 -15.070 1.00 63.32 H new ATOM 0 HG SER A 90 1.496 -7.686 -16.373 1.00 71.20 H new ATOM 1479 N SER A 91 -0.041 -11.849 -16.322 1.00 53.01 N ATOM 1480 CA SER A 91 0.238 -12.973 -17.231 1.00 61.24 C ATOM 1481 C SER A 91 -1.075 -13.638 -17.702 1.00 32.11 C ATOM 1482 O SER A 91 -1.221 -13.988 -18.880 1.00 43.15 O ATOM 1483 CB SER A 91 1.146 -14.000 -16.514 1.00 32.11 C ATOM 1484 OG SER A 91 1.526 -15.054 -17.372 1.00 2.12 O ATOM 0 H SER A 91 0.377 -11.962 -15.399 1.00 53.01 H new ATOM 0 HA SER A 91 0.753 -12.596 -18.115 1.00 61.24 H new ATOM 0 HB2 SER A 91 2.038 -13.497 -16.139 1.00 32.11 H new ATOM 0 HB3 SER A 91 0.622 -14.407 -15.649 1.00 32.11 H new ATOM 0 HG SER A 91 2.100 -15.682 -16.885 1.00 2.12 H new ATOM 1490 N LEU A 92 -2.035 -13.752 -16.766 1.00 3.05 N ATOM 1491 CA LEU A 92 -3.333 -14.408 -17.005 1.00 54.40 C ATOM 1492 C LEU A 92 -4.251 -13.547 -17.890 1.00 10.41 C ATOM 1493 O LEU A 92 -4.900 -14.073 -18.806 1.00 22.30 O ATOM 1494 CB LEU A 92 -4.013 -14.738 -15.647 1.00 61.45 C ATOM 1495 CG LEU A 92 -3.233 -15.742 -14.740 1.00 54.24 C ATOM 1496 CD1 LEU A 92 -3.913 -15.908 -13.371 1.00 72.23 C ATOM 1497 CD2 LEU A 92 -3.030 -17.106 -15.441 1.00 24.14 C ATOM 0 H LEU A 92 -1.931 -13.390 -15.818 1.00 3.05 H new ATOM 0 HA LEU A 92 -3.153 -15.337 -17.545 1.00 54.40 H new ATOM 0 HB2 LEU A 92 -4.155 -13.809 -15.095 1.00 61.45 H new ATOM 0 HB3 LEU A 92 -5.004 -15.146 -15.845 1.00 61.45 H new ATOM 0 HG LEU A 92 -2.244 -15.319 -14.565 1.00 54.24 H new ATOM 0 HD11 LEU A 92 -3.344 -16.613 -12.765 1.00 72.23 H new ATOM 0 HD12 LEU A 92 -3.952 -14.944 -12.865 1.00 72.23 H new ATOM 0 HD13 LEU A 92 -4.926 -16.285 -13.511 1.00 72.23 H new ATOM 0 HD21 LEU A 92 -2.484 -17.778 -14.779 1.00 24.14 H new ATOM 0 HD22 LEU A 92 -4.001 -17.541 -15.679 1.00 24.14 H new ATOM 0 HD23 LEU A 92 -2.462 -16.962 -16.360 1.00 24.14 H new ATOM 1509 N ILE A 93 -4.287 -12.223 -17.624 1.00 53.33 N ATOM 1510 CA ILE A 93 -5.087 -11.259 -18.418 1.00 51.33 C ATOM 1511 C ILE A 93 -4.610 -11.263 -19.889 1.00 22.13 C ATOM 1512 O ILE A 93 -5.426 -11.228 -20.809 1.00 34.30 O ATOM 1513 CB ILE A 93 -5.006 -9.797 -17.819 1.00 74.12 C ATOM 1514 CG1 ILE A 93 -5.565 -9.757 -16.362 1.00 32.02 C ATOM 1515 CG2 ILE A 93 -5.755 -8.769 -18.708 1.00 35.24 C ATOM 1516 CD1 ILE A 93 -5.346 -8.437 -15.634 1.00 31.53 C ATOM 0 H ILE A 93 -3.767 -11.793 -16.859 1.00 53.33 H new ATOM 0 HA ILE A 93 -6.130 -11.574 -18.375 1.00 51.33 H new ATOM 0 HB ILE A 93 -3.952 -9.518 -17.798 1.00 74.12 H new ATOM 0 HG12 ILE A 93 -6.634 -9.967 -16.391 1.00 32.02 H new ATOM 0 HG13 ILE A 93 -5.098 -10.556 -15.786 1.00 32.02 H new ATOM 0 HG21 ILE A 93 -5.676 -7.777 -18.263 1.00 35.24 H new ATOM 0 HG22 ILE A 93 -5.310 -8.756 -19.703 1.00 35.24 H new ATOM 0 HG23 ILE A 93 -6.805 -9.050 -18.783 1.00 35.24 H new ATOM 0 HD11 ILE A 93 -5.766 -8.501 -14.630 1.00 31.53 H new ATOM 0 HD12 ILE A 93 -4.278 -8.231 -15.568 1.00 31.53 H new ATOM 0 HD13 ILE A 93 -5.837 -7.633 -16.182 1.00 31.53 H new ATOM 1528 N GLY A 94 -3.280 -11.377 -20.075 1.00 12.12 N ATOM 1529 CA GLY A 94 -2.673 -11.442 -21.408 1.00 0.11 C ATOM 1530 C GLY A 94 -3.106 -12.662 -22.230 1.00 34.33 C ATOM 1531 O GLY A 94 -3.015 -12.643 -23.461 1.00 13.35 O ATOM 0 H GLY A 94 -2.607 -11.426 -19.310 1.00 12.12 H new ATOM 0 HA2 GLY A 94 -2.930 -10.536 -21.958 1.00 0.11 H new ATOM 0 HA3 GLY A 94 -1.588 -11.454 -21.302 1.00 0.11 H new ATOM 1535 N GLN A 95 -3.578 -13.719 -21.542 1.00 53.13 N ATOM 1536 CA GLN A 95 -4.009 -14.981 -22.173 1.00 2.32 C ATOM 1537 C GLN A 95 -5.461 -14.893 -22.679 1.00 0.04 C ATOM 1538 O GLN A 95 -5.724 -15.104 -23.870 1.00 3.34 O ATOM 1539 CB GLN A 95 -3.859 -16.156 -21.168 1.00 50.04 C ATOM 1540 CG GLN A 95 -2.413 -16.429 -20.717 1.00 43.35 C ATOM 1541 CD GLN A 95 -1.493 -16.850 -21.867 1.00 61.25 C ATOM 1542 OE1 GLN A 95 -0.845 -16.024 -22.517 1.00 51.02 O ATOM 1543 NE2 GLN A 95 -1.434 -18.142 -22.130 1.00 13.41 N ATOM 0 H GLN A 95 -3.672 -13.721 -20.526 1.00 53.13 H new ATOM 0 HA GLN A 95 -3.368 -15.162 -23.036 1.00 2.32 H new ATOM 0 HB2 GLN A 95 -4.467 -15.945 -20.288 1.00 50.04 H new ATOM 0 HB3 GLN A 95 -4.261 -17.061 -21.624 1.00 50.04 H new ATOM 0 HG2 GLN A 95 -2.010 -15.532 -20.247 1.00 43.35 H new ATOM 0 HG3 GLN A 95 -2.417 -17.212 -19.958 1.00 43.35 H new ATOM 0 HE21 GLN A 95 -1.981 -18.801 -21.576 1.00 13.41 H new ATOM 0 HE22 GLN A 95 -0.841 -18.482 -22.888 1.00 13.41 H new ATOM 1552 N VAL A 96 -6.397 -14.578 -21.764 1.00 14.31 N ATOM 1553 CA VAL A 96 -7.846 -14.587 -22.073 1.00 2.12 C ATOM 1554 C VAL A 96 -8.273 -13.338 -22.875 1.00 34.41 C ATOM 1555 O VAL A 96 -9.083 -13.447 -23.799 1.00 72.12 O ATOM 1556 CB VAL A 96 -8.735 -14.735 -20.774 1.00 52.02 C ATOM 1557 CG1 VAL A 96 -8.592 -16.147 -20.156 1.00 4.52 C ATOM 1558 CG2 VAL A 96 -8.417 -13.634 -19.727 1.00 34.24 C ATOM 0 H VAL A 96 -6.179 -14.314 -20.803 1.00 14.31 H new ATOM 0 HA VAL A 96 -8.016 -15.466 -22.695 1.00 2.12 H new ATOM 0 HB VAL A 96 -9.773 -14.603 -21.079 1.00 52.02 H new ATOM 0 HG11 VAL A 96 -9.215 -16.219 -19.264 1.00 4.52 H new ATOM 0 HG12 VAL A 96 -8.910 -16.896 -20.882 1.00 4.52 H new ATOM 0 HG13 VAL A 96 -7.551 -16.322 -19.886 1.00 4.52 H new ATOM 0 HG21 VAL A 96 -9.050 -13.772 -18.850 1.00 34.24 H new ATOM 0 HG22 VAL A 96 -7.370 -13.703 -19.433 1.00 34.24 H new ATOM 0 HG23 VAL A 96 -8.608 -12.653 -20.161 1.00 34.24 H new ATOM 1568 N LEU A 97 -7.719 -12.164 -22.528 1.00 62.44 N ATOM 1569 CA LEU A 97 -8.077 -10.894 -23.187 1.00 60.14 C ATOM 1570 C LEU A 97 -7.339 -10.828 -24.538 1.00 0.13 C ATOM 1571 O LEU A 97 -6.107 -10.735 -24.569 1.00 12.43 O ATOM 1572 CB LEU A 97 -7.697 -9.677 -22.271 1.00 51.43 C ATOM 1573 CG LEU A 97 -8.459 -8.315 -22.480 1.00 52.22 C ATOM 1574 CD1 LEU A 97 -7.977 -7.265 -21.464 1.00 63.54 C ATOM 1575 CD2 LEU A 97 -8.356 -7.761 -23.920 1.00 25.43 C ATOM 0 H LEU A 97 -7.019 -12.067 -21.792 1.00 62.44 H new ATOM 0 HA LEU A 97 -9.152 -10.846 -23.358 1.00 60.14 H new ATOM 0 HB2 LEU A 97 -7.843 -9.983 -21.235 1.00 51.43 H new ATOM 0 HB3 LEU A 97 -6.632 -9.485 -22.400 1.00 51.43 H new ATOM 0 HG LEU A 97 -9.514 -8.530 -22.311 1.00 52.22 H new ATOM 0 HD11 LEU A 97 -8.515 -6.330 -21.624 1.00 63.54 H new ATOM 0 HD12 LEU A 97 -8.166 -7.624 -20.452 1.00 63.54 H new ATOM 0 HD13 LEU A 97 -6.908 -7.096 -21.595 1.00 63.54 H new ATOM 0 HD21 LEU A 97 -8.905 -6.822 -23.989 1.00 25.43 H new ATOM 0 HD22 LEU A 97 -7.309 -7.589 -24.170 1.00 25.43 H new ATOM 0 HD23 LEU A 97 -8.782 -8.482 -24.618 1.00 25.43 H new ATOM 1587 N PHE A 98 -8.101 -10.896 -25.639 1.00 31.11 N ATOM 1588 CA PHE A 98 -7.568 -10.724 -26.995 1.00 42.12 C ATOM 1589 C PHE A 98 -7.567 -9.226 -27.327 1.00 4.11 C ATOM 1590 O PHE A 98 -8.549 -8.677 -27.844 1.00 74.52 O ATOM 1591 CB PHE A 98 -8.396 -11.552 -28.013 1.00 51.02 C ATOM 1592 CG PHE A 98 -8.474 -13.034 -27.667 1.00 25.55 C ATOM 1593 CD1 PHE A 98 -7.374 -13.864 -27.859 1.00 23.33 C ATOM 1594 CD2 PHE A 98 -9.640 -13.592 -27.141 1.00 34.42 C ATOM 1595 CE1 PHE A 98 -7.434 -15.204 -27.537 1.00 44.00 C ATOM 1596 CE2 PHE A 98 -9.699 -14.931 -26.820 1.00 24.51 C ATOM 1597 CZ PHE A 98 -8.595 -15.739 -27.019 1.00 52.13 C ATOM 0 H PHE A 98 -9.105 -11.072 -25.613 1.00 31.11 H new ATOM 0 HA PHE A 98 -6.545 -11.095 -27.054 1.00 42.12 H new ATOM 0 HB2 PHE A 98 -9.406 -11.145 -28.065 1.00 51.02 H new ATOM 0 HB3 PHE A 98 -7.956 -11.441 -29.004 1.00 51.02 H new ATOM 0 HD1 PHE A 98 -6.461 -13.454 -28.265 1.00 23.33 H new ATOM 0 HD2 PHE A 98 -10.507 -12.967 -26.984 1.00 34.42 H new ATOM 0 HE1 PHE A 98 -6.571 -15.835 -27.691 1.00 44.00 H new ATOM 0 HE2 PHE A 98 -10.608 -15.349 -26.413 1.00 24.51 H new ATOM 0 HZ PHE A 98 -8.642 -16.789 -26.769 1.00 52.13 H new ATOM 1607 N GLN A 99 -6.461 -8.563 -26.956 1.00 64.24 N ATOM 1608 CA GLN A 99 -6.302 -7.096 -27.062 1.00 0.13 C ATOM 1609 C GLN A 99 -6.147 -6.629 -28.525 1.00 11.40 C ATOM 1610 O GLN A 99 -6.186 -5.427 -28.798 1.00 22.13 O ATOM 1611 CB GLN A 99 -5.117 -6.605 -26.146 1.00 43.21 C ATOM 1612 CG GLN A 99 -3.844 -7.495 -26.139 1.00 75.24 C ATOM 1613 CD GLN A 99 -3.060 -7.529 -27.458 1.00 44.41 C ATOM 1614 OE1 GLN A 99 -3.001 -6.545 -28.198 1.00 70.31 O ATOM 1615 NE2 GLN A 99 -2.460 -8.667 -27.769 1.00 32.12 N ATOM 0 H GLN A 99 -5.641 -9.031 -26.570 1.00 64.24 H new ATOM 0 HA GLN A 99 -7.219 -6.631 -26.699 1.00 0.13 H new ATOM 0 HB2 GLN A 99 -4.832 -5.602 -26.462 1.00 43.21 H new ATOM 0 HB3 GLN A 99 -5.485 -6.524 -25.123 1.00 43.21 H new ATOM 0 HG2 GLN A 99 -3.180 -7.144 -25.350 1.00 75.24 H new ATOM 0 HG3 GLN A 99 -4.134 -8.514 -25.882 1.00 75.24 H new ATOM 0 HE21 GLN A 99 -2.525 -9.466 -27.139 1.00 32.12 H new ATOM 0 HE22 GLN A 99 -1.933 -8.745 -28.639 1.00 32.12 H new ATOM 1624 N GLY A 100 -5.976 -7.574 -29.460 1.00 54.24 N ATOM 1625 CA GLY A 100 -5.852 -7.243 -30.876 1.00 2.13 C ATOM 1626 C GLY A 100 -6.027 -8.472 -31.755 1.00 73.15 C ATOM 1627 O GLY A 100 -7.102 -8.655 -32.343 1.00 22.12 O ATOM 0 H GLY A 100 -5.921 -8.572 -29.256 1.00 54.24 H new ATOM 0 HA2 GLY A 100 -6.599 -6.495 -31.142 1.00 2.13 H new ATOM 0 HA3 GLY A 100 -4.875 -6.798 -31.062 1.00 2.13 H new ATOM 1631 N PRO A 101 -4.977 -9.359 -31.845 1.00 22.55 N ATOM 1632 CA PRO A 101 -5.007 -10.572 -32.692 1.00 61.22 C ATOM 1633 C PRO A 101 -5.669 -11.781 -32.001 1.00 30.33 C ATOM 1634 O PRO A 101 -6.304 -11.638 -30.941 1.00 3.03 O ATOM 1635 CB PRO A 101 -3.500 -10.813 -32.944 1.00 71.20 C ATOM 1636 CG PRO A 101 -2.850 -10.420 -31.650 1.00 11.14 C ATOM 1637 CD PRO A 101 -3.661 -9.241 -31.132 1.00 60.15 C ATOM 0 HA PRO A 101 -5.603 -10.445 -33.596 1.00 61.22 H new ATOM 0 HB2 PRO A 101 -3.298 -11.855 -33.192 1.00 71.20 H new ATOM 0 HB3 PRO A 101 -3.133 -10.211 -33.775 1.00 71.20 H new ATOM 0 HG2 PRO A 101 -2.859 -11.246 -30.939 1.00 11.14 H new ATOM 0 HG3 PRO A 101 -1.807 -10.143 -31.803 1.00 11.14 H new ATOM 0 HD2 PRO A 101 -3.788 -9.289 -30.051 1.00 60.15 H new ATOM 0 HD3 PRO A 101 -3.171 -8.293 -31.353 1.00 60.15 H new ATOM 1645 N SER A 102 -5.508 -12.966 -32.644 1.00 51.20 N ATOM 1646 CA SER A 102 -5.969 -14.270 -32.131 1.00 2.53 C ATOM 1647 C SER A 102 -7.510 -14.329 -32.035 1.00 14.32 C ATOM 1648 O SER A 102 -8.079 -14.970 -31.138 1.00 23.33 O ATOM 1649 CB SER A 102 -5.275 -14.581 -30.783 1.00 24.32 C ATOM 1650 OG SER A 102 -3.863 -14.584 -30.935 1.00 64.02 O ATOM 0 H SER A 102 -5.045 -13.037 -33.550 1.00 51.20 H new ATOM 0 HA SER A 102 -5.683 -15.049 -32.838 1.00 2.53 H new ATOM 0 HB2 SER A 102 -5.564 -13.838 -30.039 1.00 24.32 H new ATOM 0 HB3 SER A 102 -5.608 -15.550 -30.412 1.00 24.32 H new ATOM 0 HG SER A 102 -3.442 -14.781 -30.072 1.00 64.02 H new ATOM 1656 N ALA A 103 -8.159 -13.684 -33.018 1.00 62.54 N ATOM 1657 CA ALA A 103 -9.625 -13.595 -33.128 1.00 54.01 C ATOM 1658 C ALA A 103 -10.009 -13.221 -34.571 1.00 21.21 C ATOM 1659 O ALA A 103 -9.202 -12.625 -35.294 1.00 24.21 O ATOM 1660 CB ALA A 103 -10.172 -12.574 -32.114 1.00 30.51 C ATOM 0 H ALA A 103 -7.671 -13.201 -33.772 1.00 62.54 H new ATOM 0 HA ALA A 103 -10.071 -14.562 -32.895 1.00 54.01 H new ATOM 0 HB1 ALA A 103 -11.257 -12.517 -32.205 1.00 30.51 H new ATOM 0 HB2 ALA A 103 -9.908 -12.887 -31.104 1.00 30.51 H new ATOM 0 HB3 ALA A 103 -9.739 -11.594 -32.315 1.00 30.51 H new ATOM 1666 N GLY A 104 -11.243 -13.581 -34.984 1.00 33.54 N ATOM 1667 CA GLY A 104 -11.734 -13.305 -36.346 1.00 33.22 C ATOM 1668 C GLY A 104 -11.905 -11.814 -36.633 1.00 3.53 C ATOM 1669 O GLY A 104 -11.788 -11.375 -37.784 1.00 45.24 O ATOM 0 H GLY A 104 -11.917 -14.064 -34.390 1.00 33.54 H new ATOM 0 HA2 GLY A 104 -11.038 -13.730 -37.069 1.00 33.22 H new ATOM 0 HA3 GLY A 104 -12.690 -13.808 -36.490 1.00 33.22 H new ATOM 1673 N LEU A 105 -12.205 -11.055 -35.576 1.00 74.52 N ATOM 1674 CA LEU A 105 -12.204 -9.582 -35.576 1.00 10.13 C ATOM 1675 C LEU A 105 -11.284 -9.100 -34.437 1.00 2.33 C ATOM 1676 O LEU A 105 -10.592 -9.917 -33.820 1.00 21.41 O ATOM 1677 CB LEU A 105 -13.672 -9.041 -35.458 1.00 42.54 C ATOM 1678 CG LEU A 105 -14.625 -9.709 -34.390 1.00 41.33 C ATOM 1679 CD1 LEU A 105 -14.274 -9.321 -32.936 1.00 70.50 C ATOM 1680 CD2 LEU A 105 -16.108 -9.402 -34.697 1.00 62.25 C ATOM 0 H LEU A 105 -12.462 -11.453 -34.673 1.00 74.52 H new ATOM 0 HA LEU A 105 -11.813 -9.187 -36.514 1.00 10.13 H new ATOM 0 HB2 LEU A 105 -13.618 -7.975 -35.237 1.00 42.54 H new ATOM 0 HB3 LEU A 105 -14.144 -9.141 -36.435 1.00 42.54 H new ATOM 0 HG LEU A 105 -14.466 -10.784 -34.471 1.00 41.33 H new ATOM 0 HD11 LEU A 105 -14.965 -9.812 -32.251 1.00 70.50 H new ATOM 0 HD12 LEU A 105 -13.255 -9.636 -32.711 1.00 70.50 H new ATOM 0 HD13 LEU A 105 -14.354 -8.240 -32.818 1.00 70.50 H new ATOM 0 HD21 LEU A 105 -16.741 -9.875 -33.946 1.00 62.25 H new ATOM 0 HD22 LEU A 105 -16.268 -8.324 -34.680 1.00 62.25 H new ATOM 0 HD23 LEU A 105 -16.364 -9.791 -35.683 1.00 62.25 H new ATOM 1692 N VAL A 106 -11.244 -7.787 -34.179 1.00 20.34 N ATOM 1693 CA VAL A 106 -10.507 -7.231 -33.032 1.00 31.51 C ATOM 1694 C VAL A 106 -11.510 -6.979 -31.883 1.00 20.02 C ATOM 1695 O VAL A 106 -12.290 -6.020 -31.954 1.00 14.10 O ATOM 1696 CB VAL A 106 -9.746 -5.903 -33.406 1.00 3.32 C ATOM 1697 CG1 VAL A 106 -8.960 -5.351 -32.190 1.00 53.54 C ATOM 1698 CG2 VAL A 106 -8.813 -6.131 -34.618 1.00 63.22 C ATOM 0 H VAL A 106 -11.715 -7.085 -34.750 1.00 20.34 H new ATOM 0 HA VAL A 106 -9.747 -7.948 -32.721 1.00 31.51 H new ATOM 0 HB VAL A 106 -10.487 -5.155 -33.687 1.00 3.32 H new ATOM 0 HG11 VAL A 106 -8.444 -4.434 -32.476 1.00 53.54 H new ATOM 0 HG12 VAL A 106 -9.652 -5.139 -31.375 1.00 53.54 H new ATOM 0 HG13 VAL A 106 -8.230 -6.091 -31.862 1.00 53.54 H new ATOM 0 HG21 VAL A 106 -8.297 -5.202 -34.860 1.00 63.22 H new ATOM 0 HG22 VAL A 106 -8.080 -6.900 -34.373 1.00 63.22 H new ATOM 0 HG23 VAL A 106 -9.403 -6.452 -35.476 1.00 63.22 H new ATOM 1708 N PRO A 107 -11.525 -7.838 -30.808 1.00 4.23 N ATOM 1709 CA PRO A 107 -12.466 -7.706 -29.673 1.00 34.04 C ATOM 1710 C PRO A 107 -11.910 -6.806 -28.544 1.00 52.22 C ATOM 1711 O PRO A 107 -12.233 -6.995 -27.359 1.00 14.43 O ATOM 1712 CB PRO A 107 -12.633 -9.180 -29.230 1.00 22.12 C ATOM 1713 CG PRO A 107 -11.294 -9.817 -29.491 1.00 14.32 C ATOM 1714 CD PRO A 107 -10.625 -9.009 -30.604 1.00 11.12 C ATOM 0 HA PRO A 107 -13.405 -7.220 -29.937 1.00 34.04 H new ATOM 0 HB2 PRO A 107 -12.904 -9.248 -28.176 1.00 22.12 H new ATOM 0 HB3 PRO A 107 -13.423 -9.675 -29.795 1.00 22.12 H new ATOM 0 HG2 PRO A 107 -10.682 -9.812 -28.589 1.00 14.32 H new ATOM 0 HG3 PRO A 107 -11.414 -10.859 -29.789 1.00 14.32 H new ATOM 0 HD2 PRO A 107 -9.622 -8.693 -30.317 1.00 11.12 H new ATOM 0 HD3 PRO A 107 -10.526 -9.597 -31.516 1.00 11.12 H new ATOM 1722 N ARG A 108 -11.092 -5.813 -28.942 1.00 32.21 N ATOM 1723 CA ARG A 108 -10.503 -4.829 -28.035 1.00 11.22 C ATOM 1724 C ARG A 108 -11.591 -3.827 -27.583 1.00 74.24 C ATOM 1725 O ARG A 108 -11.878 -2.842 -28.277 1.00 44.34 O ATOM 1726 CB ARG A 108 -9.341 -4.095 -28.752 1.00 11.23 C ATOM 1727 CG ARG A 108 -8.595 -3.054 -27.890 1.00 23.21 C ATOM 1728 CD ARG A 108 -7.654 -2.163 -28.719 1.00 32.24 C ATOM 1729 NE ARG A 108 -8.398 -1.317 -29.671 1.00 45.35 N ATOM 1730 CZ ARG A 108 -7.870 -0.354 -30.446 1.00 63.33 C ATOM 1731 NH1 ARG A 108 -6.566 -0.078 -30.412 1.00 13.32 N ATOM 1732 NH2 ARG A 108 -8.664 0.350 -31.241 1.00 24.42 N ATOM 0 H ARG A 108 -10.823 -5.676 -29.916 1.00 32.21 H new ATOM 0 HA ARG A 108 -10.105 -5.330 -27.152 1.00 11.22 H new ATOM 0 HB2 ARG A 108 -8.623 -4.837 -29.101 1.00 11.23 H new ATOM 0 HB3 ARG A 108 -9.738 -3.595 -29.636 1.00 11.23 H new ATOM 0 HG2 ARG A 108 -9.322 -2.427 -27.374 1.00 23.21 H new ATOM 0 HG3 ARG A 108 -8.018 -3.570 -27.123 1.00 23.21 H new ATOM 0 HD2 ARG A 108 -7.070 -1.531 -28.051 1.00 32.24 H new ATOM 0 HD3 ARG A 108 -6.947 -2.789 -29.264 1.00 32.24 H new ATOM 0 HE ARG A 108 -9.402 -1.477 -29.748 1.00 45.35 H new ATOM 0 HH11 ARG A 108 -5.950 -0.602 -29.790 1.00 13.32 H new ATOM 0 HH12 ARG A 108 -6.184 0.657 -31.008 1.00 13.32 H new ATOM 0 HH21 ARG A 108 -9.666 0.159 -31.261 1.00 24.42 H new ATOM 0 HH22 ARG A 108 -8.273 1.083 -31.833 1.00 24.42 H new ATOM 1746 N GLY A 109 -12.243 -4.146 -26.460 1.00 12.51 N ATOM 1747 CA GLY A 109 -13.206 -3.247 -25.836 1.00 24.53 C ATOM 1748 C GLY A 109 -12.554 -2.409 -24.758 1.00 21.12 C ATOM 1749 O GLY A 109 -11.576 -2.848 -24.138 1.00 13.55 O ATOM 0 H GLY A 109 -12.116 -5.029 -25.965 1.00 12.51 H new ATOM 0 HA2 GLY A 109 -13.642 -2.595 -26.593 1.00 24.53 H new ATOM 0 HA3 GLY A 109 -14.023 -3.827 -25.406 1.00 24.53 H new ATOM 1753 N SER A 110 -13.092 -1.203 -24.529 1.00 1.44 N ATOM 1754 CA SER A 110 -12.609 -0.281 -23.488 1.00 54.14 C ATOM 1755 C SER A 110 -13.232 -0.664 -22.125 1.00 14.42 C ATOM 1756 O SER A 110 -14.000 0.096 -21.516 1.00 5.42 O ATOM 1757 CB SER A 110 -12.942 1.173 -23.904 1.00 44.43 C ATOM 1758 OG SER A 110 -12.393 1.473 -25.181 1.00 74.15 O ATOM 0 H SER A 110 -13.880 -0.836 -25.063 1.00 1.44 H new ATOM 0 HA SER A 110 -11.527 -0.355 -23.380 1.00 54.14 H new ATOM 0 HB2 SER A 110 -14.023 1.311 -23.927 1.00 44.43 H new ATOM 0 HB3 SER A 110 -12.548 1.867 -23.162 1.00 44.43 H new ATOM 0 HG SER A 110 -12.617 2.395 -25.425 1.00 74.15 H new ATOM 1764 N GLY A 111 -12.884 -1.882 -21.670 1.00 74.35 N ATOM 1765 CA GLY A 111 -13.442 -2.474 -20.464 1.00 51.41 C ATOM 1766 C GLY A 111 -13.271 -3.991 -20.469 1.00 43.12 C ATOM 1767 O GLY A 111 -12.615 -4.550 -19.583 1.00 11.42 O ATOM 0 H GLY A 111 -12.202 -2.478 -22.140 1.00 74.35 H new ATOM 0 HA2 GLY A 111 -12.951 -2.052 -19.587 1.00 51.41 H new ATOM 0 HA3 GLY A 111 -14.500 -2.224 -20.388 1.00 51.41 H new ATOM 1771 N GLY A 112 -13.845 -4.651 -21.500 1.00 30.03 N ATOM 1772 CA GLY A 112 -13.789 -6.115 -21.627 1.00 73.22 C ATOM 1773 C GLY A 112 -14.208 -6.603 -23.013 1.00 65.44 C ATOM 1774 O GLY A 112 -14.116 -5.851 -23.992 1.00 71.12 O ATOM 0 H GLY A 112 -14.352 -4.187 -22.254 1.00 30.03 H new ATOM 0 HA2 GLY A 112 -12.775 -6.455 -21.418 1.00 73.22 H new ATOM 0 HA3 GLY A 112 -14.438 -6.566 -20.876 1.00 73.22 H new ATOM 1778 N ILE A 113 -14.669 -7.878 -23.096 1.00 13.31 N ATOM 1779 CA ILE A 113 -15.043 -8.537 -24.371 1.00 15.25 C ATOM 1780 C ILE A 113 -16.585 -8.796 -24.391 1.00 41.45 C ATOM 1781 O ILE A 113 -17.353 -7.892 -24.742 1.00 71.34 O ATOM 1782 CB ILE A 113 -14.210 -9.879 -24.648 1.00 70.20 C ATOM 1783 CG1 ILE A 113 -12.648 -9.644 -24.596 1.00 2.40 C ATOM 1784 CG2 ILE A 113 -14.604 -10.506 -26.015 1.00 13.15 C ATOM 1785 CD1 ILE A 113 -12.053 -9.497 -23.199 1.00 31.20 C ATOM 0 H ILE A 113 -14.791 -8.477 -22.279 1.00 13.31 H new ATOM 0 HA ILE A 113 -14.784 -7.862 -25.186 1.00 15.25 H new ATOM 0 HB ILE A 113 -14.466 -10.572 -23.846 1.00 70.20 H new ATOM 0 HG12 ILE A 113 -12.156 -10.478 -25.096 1.00 2.40 H new ATOM 0 HG13 ILE A 113 -12.414 -8.746 -25.168 1.00 2.40 H new ATOM 0 HG21 ILE A 113 -14.025 -11.415 -26.179 1.00 13.15 H new ATOM 0 HG22 ILE A 113 -15.667 -10.749 -26.011 1.00 13.15 H new ATOM 0 HG23 ILE A 113 -14.397 -9.795 -26.815 1.00 13.15 H new ATOM 0 HD11 ILE A 113 -10.977 -9.340 -23.276 1.00 31.20 H new ATOM 0 HD12 ILE A 113 -12.509 -8.644 -22.697 1.00 31.20 H new ATOM 0 HD13 ILE A 113 -12.247 -10.402 -22.624 1.00 31.20 H new ATOM 1797 N GLU A 114 -17.031 -10.011 -23.960 1.00 63.00 N ATOM 1798 CA GLU A 114 -18.465 -10.413 -23.918 1.00 52.33 C ATOM 1799 C GLU A 114 -18.610 -11.739 -23.142 1.00 74.14 C ATOM 1800 O GLU A 114 -17.609 -12.411 -22.895 1.00 72.14 O ATOM 1801 CB GLU A 114 -19.072 -10.512 -25.357 1.00 65.11 C ATOM 1802 CG GLU A 114 -18.348 -11.458 -26.354 1.00 62.22 C ATOM 1803 CD GLU A 114 -18.628 -12.958 -26.133 1.00 54.41 C ATOM 1804 OE1 GLU A 114 -17.689 -13.724 -25.824 1.00 62.23 O ATOM 1805 OE2 GLU A 114 -19.803 -13.371 -26.260 1.00 53.30 O ATOM 0 H GLU A 114 -16.400 -10.742 -23.630 1.00 63.00 H new ATOM 0 HA GLU A 114 -19.032 -9.644 -23.394 1.00 52.33 H new ATOM 0 HB2 GLU A 114 -20.108 -10.839 -25.268 1.00 65.11 H new ATOM 0 HB3 GLU A 114 -19.090 -9.511 -25.789 1.00 65.11 H new ATOM 0 HG2 GLU A 114 -18.645 -11.192 -27.368 1.00 62.22 H new ATOM 0 HG3 GLU A 114 -17.274 -11.288 -26.282 1.00 62.22 H new ATOM 1812 N GLY A 115 -19.843 -12.093 -22.740 1.00 33.33 N ATOM 1813 CA GLY A 115 -20.108 -13.373 -22.059 1.00 74.43 C ATOM 1814 C GLY A 115 -19.387 -13.520 -20.710 1.00 35.11 C ATOM 1815 O GLY A 115 -19.184 -12.527 -19.994 1.00 14.43 O ATOM 0 H GLY A 115 -20.671 -11.512 -22.874 1.00 33.33 H new ATOM 0 HA2 GLY A 115 -21.182 -13.473 -21.899 1.00 74.43 H new ATOM 0 HA3 GLY A 115 -19.805 -14.191 -22.713 1.00 74.43 H new ATOM 1819 N SER A 428 -18.972 -14.759 -20.380 1.00 34.34 N ATOM 1820 CA SER A 428 -18.286 -15.070 -19.114 1.00 3.51 C ATOM 1821 C SER A 428 -16.773 -14.770 -19.204 1.00 54.23 C ATOM 1822 O SER A 428 -16.110 -14.596 -18.171 1.00 62.44 O ATOM 1823 CB SER A 428 -18.542 -16.548 -18.723 1.00 21.44 C ATOM 1824 OG SER A 428 -18.057 -16.839 -17.417 1.00 12.03 O ATOM 0 H SER A 428 -19.104 -15.570 -20.984 1.00 34.34 H new ATOM 0 HA SER A 428 -18.694 -14.427 -18.334 1.00 3.51 H new ATOM 0 HB2 SER A 428 -19.611 -16.757 -18.769 1.00 21.44 H new ATOM 0 HB3 SER A 428 -18.058 -17.205 -19.446 1.00 21.44 H new ATOM 0 HG SER A 428 -18.237 -17.778 -17.203 1.00 12.03 H new ATOM 1830 N ILE A 429 -16.230 -14.698 -20.446 1.00 64.44 N ATOM 1831 CA ILE A 429 -14.815 -14.331 -20.674 1.00 41.21 C ATOM 1832 C ILE A 429 -14.623 -12.826 -20.352 1.00 41.03 C ATOM 1833 O ILE A 429 -13.571 -12.426 -19.857 1.00 52.14 O ATOM 1834 CB ILE A 429 -14.318 -14.735 -22.135 1.00 73.22 C ATOM 1835 CG1 ILE A 429 -12.747 -14.679 -22.300 1.00 12.42 C ATOM 1836 CG2 ILE A 429 -15.015 -13.909 -23.238 1.00 23.33 C ATOM 1837 CD1 ILE A 429 -12.147 -13.319 -22.640 1.00 25.31 C ATOM 0 H ILE A 429 -16.752 -14.889 -21.301 1.00 64.44 H new ATOM 0 HA ILE A 429 -14.179 -14.903 -19.998 1.00 41.21 H new ATOM 0 HB ILE A 429 -14.610 -15.778 -22.258 1.00 73.22 H new ATOM 0 HG12 ILE A 429 -12.294 -15.030 -21.373 1.00 12.42 H new ATOM 0 HG13 ILE A 429 -12.461 -15.383 -23.081 1.00 12.42 H new ATOM 0 HG21 ILE A 429 -14.644 -14.220 -24.215 1.00 23.33 H new ATOM 0 HG22 ILE A 429 -16.092 -14.073 -23.190 1.00 23.33 H new ATOM 0 HG23 ILE A 429 -14.802 -12.850 -23.089 1.00 23.33 H new ATOM 0 HD11 ILE A 429 -11.064 -13.410 -22.727 1.00 25.31 H new ATOM 0 HD12 ILE A 429 -12.558 -12.966 -23.586 1.00 25.31 H new ATOM 0 HD13 ILE A 429 -12.389 -12.607 -21.851 1.00 25.31 H new ATOM 1849 N ASP A 430 -15.680 -12.013 -20.580 1.00 14.12 N ATOM 1850 CA ASP A 430 -15.718 -10.592 -20.162 1.00 54.11 C ATOM 1851 C ASP A 430 -15.618 -10.478 -18.642 1.00 72.03 C ATOM 1852 O ASP A 430 -14.861 -9.653 -18.130 1.00 13.40 O ATOM 1853 CB ASP A 430 -17.032 -9.936 -20.627 1.00 22.52 C ATOM 1854 CG ASP A 430 -17.181 -8.465 -20.200 1.00 55.41 C ATOM 1855 OD1 ASP A 430 -16.637 -7.589 -20.887 1.00 74.24 O ATOM 1856 OD2 ASP A 430 -17.862 -8.177 -19.184 1.00 0.31 O ATOM 0 H ASP A 430 -16.527 -12.322 -21.057 1.00 14.12 H new ATOM 0 HA ASP A 430 -14.870 -10.082 -20.619 1.00 54.11 H new ATOM 0 HB2 ASP A 430 -17.092 -9.996 -21.714 1.00 22.52 H new ATOM 0 HB3 ASP A 430 -17.872 -10.506 -20.229 1.00 22.52 H new ATOM 1861 N GLU A 431 -16.411 -11.325 -17.950 1.00 21.15 N ATOM 1862 CA GLU A 431 -16.471 -11.367 -16.482 1.00 72.52 C ATOM 1863 C GLU A 431 -15.107 -11.711 -15.895 1.00 61.42 C ATOM 1864 O GLU A 431 -14.614 -10.991 -15.038 1.00 55.41 O ATOM 1865 CB GLU A 431 -17.516 -12.400 -15.996 1.00 14.22 C ATOM 1866 CG GLU A 431 -18.968 -12.046 -16.334 1.00 75.14 C ATOM 1867 CD GLU A 431 -19.944 -13.105 -15.819 1.00 63.45 C ATOM 1868 OE1 GLU A 431 -20.316 -14.011 -16.594 1.00 73.12 O ATOM 1869 OE2 GLU A 431 -20.308 -13.062 -14.626 1.00 2.14 O ATOM 0 H GLU A 431 -17.028 -12.000 -18.401 1.00 21.15 H new ATOM 0 HA GLU A 431 -16.769 -10.376 -16.139 1.00 72.52 H new ATOM 0 HB2 GLU A 431 -17.281 -13.369 -16.435 1.00 14.22 H new ATOM 0 HB3 GLU A 431 -17.425 -12.509 -14.915 1.00 14.22 H new ATOM 0 HG2 GLU A 431 -19.218 -11.079 -15.898 1.00 75.14 H new ATOM 0 HG3 GLU A 431 -19.076 -11.946 -17.414 1.00 75.14 H new ATOM 1876 N THR A 432 -14.493 -12.798 -16.399 1.00 31.53 N ATOM 1877 CA THR A 432 -13.241 -13.323 -15.840 1.00 4.22 C ATOM 1878 C THR A 432 -12.070 -12.330 -16.080 1.00 13.54 C ATOM 1879 O THR A 432 -11.200 -12.177 -15.214 1.00 63.23 O ATOM 1880 CB THR A 432 -12.929 -14.766 -16.379 1.00 22.04 C ATOM 1881 OG1 THR A 432 -12.058 -15.455 -15.465 1.00 21.34 O ATOM 1882 CG2 THR A 432 -12.308 -14.774 -17.793 1.00 44.45 C ATOM 0 H THR A 432 -14.848 -13.328 -17.195 1.00 31.53 H new ATOM 0 HA THR A 432 -13.363 -13.419 -14.761 1.00 4.22 H new ATOM 0 HB THR A 432 -13.887 -15.280 -16.453 1.00 22.04 H new ATOM 0 HG1 THR A 432 -11.870 -16.354 -15.807 1.00 21.34 H new ATOM 0 HG21 THR A 432 -12.119 -15.802 -18.101 1.00 44.45 H new ATOM 0 HG22 THR A 432 -12.997 -14.305 -18.496 1.00 44.45 H new ATOM 0 HG23 THR A 432 -11.369 -14.220 -17.781 1.00 44.45 H new ATOM 1890 N VAL A 433 -12.097 -11.621 -17.242 1.00 32.15 N ATOM 1891 CA VAL A 433 -11.195 -10.482 -17.505 1.00 30.52 C ATOM 1892 C VAL A 433 -11.433 -9.392 -16.454 1.00 53.40 C ATOM 1893 O VAL A 433 -10.499 -8.947 -15.826 1.00 13.23 O ATOM 1894 CB VAL A 433 -11.374 -9.892 -18.963 1.00 41.14 C ATOM 1895 CG1 VAL A 433 -10.698 -8.503 -19.125 1.00 4.45 C ATOM 1896 CG2 VAL A 433 -10.825 -10.885 -20.012 1.00 55.30 C ATOM 0 H VAL A 433 -12.738 -11.825 -18.009 1.00 32.15 H new ATOM 0 HA VAL A 433 -10.170 -10.846 -17.438 1.00 30.52 H new ATOM 0 HB VAL A 433 -12.442 -9.749 -19.126 1.00 41.14 H new ATOM 0 HG11 VAL A 433 -10.849 -8.141 -20.142 1.00 4.45 H new ATOM 0 HG12 VAL A 433 -11.140 -7.799 -18.420 1.00 4.45 H new ATOM 0 HG13 VAL A 433 -9.630 -8.593 -18.927 1.00 4.45 H new ATOM 0 HG21 VAL A 433 -10.954 -10.468 -21.011 1.00 55.30 H new ATOM 0 HG22 VAL A 433 -9.765 -11.061 -19.826 1.00 55.30 H new ATOM 0 HG23 VAL A 433 -11.368 -11.827 -19.940 1.00 55.30 H new ATOM 1906 N ALA A 434 -12.714 -9.037 -16.245 1.00 32.20 N ATOM 1907 CA ALA A 434 -13.141 -7.997 -15.287 1.00 42.42 C ATOM 1908 C ALA A 434 -12.730 -8.331 -13.835 1.00 44.22 C ATOM 1909 O ALA A 434 -12.466 -7.417 -13.052 1.00 61.31 O ATOM 1910 CB ALA A 434 -14.665 -7.786 -15.379 1.00 33.01 C ATOM 0 H ALA A 434 -13.493 -9.469 -16.742 1.00 32.20 H new ATOM 0 HA ALA A 434 -12.630 -7.074 -15.559 1.00 42.42 H new ATOM 0 HB1 ALA A 434 -14.969 -7.017 -14.669 1.00 33.01 H new ATOM 0 HB2 ALA A 434 -14.928 -7.472 -16.389 1.00 33.01 H new ATOM 0 HB3 ALA A 434 -15.176 -8.720 -15.145 1.00 33.01 H new ATOM 1916 N ARG A 435 -12.666 -9.642 -13.487 1.00 44.24 N ATOM 1917 CA ARG A 435 -12.292 -10.085 -12.126 1.00 1.14 C ATOM 1918 C ARG A 435 -10.799 -9.817 -11.892 1.00 32.50 C ATOM 1919 O ARG A 435 -10.422 -9.106 -10.960 1.00 31.41 O ATOM 1920 CB ARG A 435 -12.586 -11.602 -11.894 1.00 43.30 C ATOM 1921 CG ARG A 435 -14.025 -12.066 -12.213 1.00 33.23 C ATOM 1922 CD ARG A 435 -15.128 -11.179 -11.600 1.00 33.34 C ATOM 1923 NE ARG A 435 -16.461 -11.546 -12.117 1.00 52.15 N ATOM 1924 CZ ARG A 435 -17.495 -10.707 -12.289 1.00 4.35 C ATOM 1925 NH1 ARG A 435 -17.385 -9.408 -11.984 1.00 21.42 N ATOM 1926 NH2 ARG A 435 -18.640 -11.174 -12.769 1.00 43.22 N ATOM 0 H ARG A 435 -12.869 -10.406 -14.131 1.00 44.24 H new ATOM 0 HA ARG A 435 -12.899 -9.518 -11.420 1.00 1.14 H new ATOM 0 HB2 ARG A 435 -11.894 -12.184 -12.503 1.00 43.30 H new ATOM 0 HB3 ARG A 435 -12.371 -11.839 -10.852 1.00 43.30 H new ATOM 0 HG2 ARG A 435 -14.155 -12.091 -13.295 1.00 33.23 H new ATOM 0 HG3 ARG A 435 -14.154 -13.087 -11.853 1.00 33.23 H new ATOM 0 HD2 ARG A 435 -15.117 -11.279 -10.515 1.00 33.34 H new ATOM 0 HD3 ARG A 435 -14.923 -10.132 -11.826 1.00 33.34 H new ATOM 0 HE ARG A 435 -16.610 -12.524 -12.366 1.00 52.15 H new ATOM 0 HH11 ARG A 435 -16.507 -9.043 -11.615 1.00 21.42 H new ATOM 0 HH12 ARG A 435 -18.180 -8.783 -12.120 1.00 21.42 H new ATOM 0 HH21 ARG A 435 -18.729 -12.163 -13.004 1.00 43.22 H new ATOM 0 HH22 ARG A 435 -19.431 -10.545 -12.903 1.00 43.22 H new ATOM 1940 N TYR A 436 -9.965 -10.386 -12.784 1.00 70.11 N ATOM 1941 CA TYR A 436 -8.497 -10.272 -12.703 1.00 42.41 C ATOM 1942 C TYR A 436 -8.023 -8.838 -13.009 1.00 22.52 C ATOM 1943 O TYR A 436 -6.954 -8.440 -12.554 1.00 41.31 O ATOM 1944 CB TYR A 436 -7.824 -11.307 -13.645 1.00 24.21 C ATOM 1945 CG TYR A 436 -7.950 -12.758 -13.152 1.00 12.32 C ATOM 1946 CD1 TYR A 436 -6.886 -13.399 -12.514 1.00 51.15 C ATOM 1947 CD2 TYR A 436 -9.135 -13.484 -13.303 1.00 65.12 C ATOM 1948 CE1 TYR A 436 -6.999 -14.697 -12.058 1.00 1.44 C ATOM 1949 CE2 TYR A 436 -9.249 -14.781 -12.849 1.00 13.11 C ATOM 1950 CZ TYR A 436 -8.182 -15.384 -12.229 1.00 54.13 C ATOM 1951 OH TYR A 436 -8.298 -16.681 -11.776 1.00 34.04 O ATOM 0 H TYR A 436 -10.290 -10.936 -13.579 1.00 70.11 H new ATOM 0 HA TYR A 436 -8.194 -10.494 -11.680 1.00 42.41 H new ATOM 0 HB2 TYR A 436 -8.270 -11.228 -14.636 1.00 24.21 H new ATOM 0 HB3 TYR A 436 -6.768 -11.058 -13.750 1.00 24.21 H new ATOM 0 HD1 TYR A 436 -5.956 -12.868 -12.374 1.00 51.15 H new ATOM 0 HD2 TYR A 436 -9.981 -13.018 -13.787 1.00 65.12 H new ATOM 0 HE1 TYR A 436 -6.162 -15.173 -11.568 1.00 1.44 H new ATOM 0 HE2 TYR A 436 -10.175 -15.321 -12.981 1.00 13.11 H new ATOM 0 HH TYR A 436 -9.196 -17.018 -11.975 1.00 34.04 H new ATOM 1961 N LYS A 437 -8.836 -8.079 -13.766 1.00 55.43 N ATOM 1962 CA LYS A 437 -8.566 -6.666 -14.093 1.00 43.42 C ATOM 1963 C LYS A 437 -8.796 -5.798 -12.857 1.00 62.31 C ATOM 1964 O LYS A 437 -8.011 -4.894 -12.586 1.00 50.25 O ATOM 1965 CB LYS A 437 -9.471 -6.173 -15.259 1.00 23.33 C ATOM 1966 CG LYS A 437 -9.257 -4.700 -15.668 1.00 34.13 C ATOM 1967 CD LYS A 437 -10.183 -4.247 -16.819 1.00 23.22 C ATOM 1968 CE LYS A 437 -9.982 -2.767 -17.184 1.00 41.13 C ATOM 1969 NZ LYS A 437 -8.586 -2.474 -17.617 1.00 52.41 N ATOM 0 H LYS A 437 -9.704 -8.430 -14.171 1.00 55.43 H new ATOM 0 HA LYS A 437 -7.527 -6.583 -14.412 1.00 43.42 H new ATOM 0 HB2 LYS A 437 -9.295 -6.806 -16.129 1.00 23.33 H new ATOM 0 HB3 LYS A 437 -10.514 -6.308 -14.972 1.00 23.33 H new ATOM 0 HG2 LYS A 437 -9.426 -4.061 -14.801 1.00 34.13 H new ATOM 0 HG3 LYS A 437 -8.219 -4.561 -15.969 1.00 34.13 H new ATOM 0 HD2 LYS A 437 -9.995 -4.864 -17.698 1.00 23.22 H new ATOM 0 HD3 LYS A 437 -11.222 -4.410 -16.532 1.00 23.22 H new ATOM 0 HE2 LYS A 437 -10.672 -2.495 -17.983 1.00 41.13 H new ATOM 0 HE3 LYS A 437 -10.231 -2.146 -16.323 1.00 41.13 H new ATOM 0 HZ1 LYS A 437 -8.532 -1.501 -17.980 1.00 52.41 H new ATOM 0 HZ2 LYS A 437 -7.942 -2.577 -16.807 1.00 52.41 H new ATOM 0 HZ3 LYS A 437 -8.308 -3.139 -18.367 1.00 52.41 H new ATOM 1983 N ALA A 438 -9.882 -6.094 -12.114 1.00 44.35 N ATOM 1984 CA ALA A 438 -10.203 -5.390 -10.863 1.00 21.33 C ATOM 1985 C ALA A 438 -9.084 -5.605 -9.836 1.00 61.01 C ATOM 1986 O ALA A 438 -8.510 -4.640 -9.333 1.00 30.22 O ATOM 1987 CB ALA A 438 -11.557 -5.857 -10.310 1.00 73.13 C ATOM 0 H ALA A 438 -10.553 -6.821 -12.364 1.00 44.35 H new ATOM 0 HA ALA A 438 -10.279 -4.323 -11.070 1.00 21.33 H new ATOM 0 HB1 ALA A 438 -11.775 -5.324 -9.385 1.00 73.13 H new ATOM 0 HB2 ALA A 438 -12.339 -5.651 -11.041 1.00 73.13 H new ATOM 0 HB3 ALA A 438 -11.519 -6.928 -10.112 1.00 73.13 H new ATOM 1993 N GLN A 439 -8.739 -6.886 -9.597 1.00 64.53 N ATOM 1994 CA GLN A 439 -7.699 -7.264 -8.623 1.00 21.35 C ATOM 1995 C GLN A 439 -6.324 -6.694 -9.029 1.00 51.42 C ATOM 1996 O GLN A 439 -5.564 -6.233 -8.171 1.00 34.00 O ATOM 1997 CB GLN A 439 -7.623 -8.807 -8.463 1.00 52.00 C ATOM 1998 CG GLN A 439 -8.944 -9.486 -8.039 1.00 64.52 C ATOM 1999 CD GLN A 439 -9.574 -8.891 -6.776 1.00 33.52 C ATOM 2000 OE1 GLN A 439 -9.284 -9.313 -5.663 1.00 4.13 O ATOM 2001 NE2 GLN A 439 -10.460 -7.920 -6.941 1.00 40.34 N ATOM 0 H GLN A 439 -9.170 -7.680 -10.070 1.00 64.53 H new ATOM 0 HA GLN A 439 -7.974 -6.833 -7.660 1.00 21.35 H new ATOM 0 HB2 GLN A 439 -7.297 -9.240 -9.409 1.00 52.00 H new ATOM 0 HB3 GLN A 439 -6.857 -9.043 -7.724 1.00 52.00 H new ATOM 0 HG2 GLN A 439 -9.658 -9.411 -8.859 1.00 64.52 H new ATOM 0 HG3 GLN A 439 -8.758 -10.547 -7.874 1.00 64.52 H new ATOM 0 HE21 GLN A 439 -10.683 -7.587 -7.879 1.00 40.34 H new ATOM 0 HE22 GLN A 439 -10.919 -7.505 -6.130 1.00 40.34 H new ATOM 2010 N PHE A 440 -6.031 -6.692 -10.351 1.00 35.22 N ATOM 2011 CA PHE A 440 -4.770 -6.146 -10.873 1.00 12.13 C ATOM 2012 C PHE A 440 -4.696 -4.631 -10.605 1.00 34.24 C ATOM 2013 O PHE A 440 -3.813 -4.197 -9.880 1.00 72.43 O ATOM 2014 CB PHE A 440 -4.579 -6.445 -12.385 1.00 4.23 C ATOM 2015 CG PHE A 440 -3.224 -5.985 -12.923 1.00 61.34 C ATOM 2016 CD1 PHE A 440 -2.067 -6.715 -12.642 1.00 12.20 C ATOM 2017 CD2 PHE A 440 -3.095 -4.816 -13.682 1.00 32.22 C ATOM 2018 CE1 PHE A 440 -0.832 -6.287 -13.087 1.00 1.33 C ATOM 2019 CE2 PHE A 440 -1.857 -4.396 -14.132 1.00 32.32 C ATOM 2020 CZ PHE A 440 -0.726 -5.133 -13.837 1.00 14.33 C ATOM 0 H PHE A 440 -6.654 -7.063 -11.069 1.00 35.22 H new ATOM 0 HA PHE A 440 -3.956 -6.643 -10.346 1.00 12.13 H new ATOM 0 HB2 PHE A 440 -4.685 -7.517 -12.553 1.00 4.23 H new ATOM 0 HB3 PHE A 440 -5.372 -5.954 -12.949 1.00 4.23 H new ATOM 0 HD1 PHE A 440 -2.139 -7.627 -12.068 1.00 12.20 H new ATOM 0 HD2 PHE A 440 -3.974 -4.235 -13.919 1.00 32.22 H new ATOM 0 HE1 PHE A 440 0.054 -6.857 -12.848 1.00 1.33 H new ATOM 0 HE2 PHE A 440 -1.774 -3.491 -14.715 1.00 32.32 H new ATOM 0 HZ PHE A 440 0.240 -4.806 -14.193 1.00 14.33 H new ATOM 2030 N THR A 441 -5.670 -3.865 -11.153 1.00 51.35 N ATOM 2031 CA THR A 441 -5.709 -2.381 -11.075 1.00 21.03 C ATOM 2032 C THR A 441 -5.581 -1.866 -9.629 1.00 34.34 C ATOM 2033 O THR A 441 -4.828 -0.925 -9.363 1.00 32.21 O ATOM 2034 CB THR A 441 -7.043 -1.822 -11.689 1.00 14.33 C ATOM 2035 OG1 THR A 441 -7.188 -2.297 -13.033 1.00 22.15 O ATOM 2036 CG2 THR A 441 -7.101 -0.279 -11.690 1.00 23.44 C ATOM 0 H THR A 441 -6.458 -4.261 -11.666 1.00 51.35 H new ATOM 0 HA THR A 441 -4.853 -2.024 -11.648 1.00 21.03 H new ATOM 0 HB THR A 441 -7.858 -2.180 -11.060 1.00 14.33 H new ATOM 0 HG1 THR A 441 -7.482 -3.232 -13.020 1.00 22.15 H new ATOM 0 HG21 THR A 441 -8.045 0.049 -12.126 1.00 23.44 H new ATOM 0 HG22 THR A 441 -7.026 0.089 -10.667 1.00 23.44 H new ATOM 0 HG23 THR A 441 -6.273 0.116 -12.279 1.00 23.44 H new ATOM 2044 N GLN A 442 -6.307 -2.522 -8.717 1.00 45.24 N ATOM 2045 CA GLN A 442 -6.445 -2.089 -7.322 1.00 63.32 C ATOM 2046 C GLN A 442 -5.174 -2.384 -6.501 1.00 63.13 C ATOM 2047 O GLN A 442 -4.681 -1.512 -5.775 1.00 13.05 O ATOM 2048 CB GLN A 442 -7.694 -2.760 -6.713 1.00 10.21 C ATOM 2049 CG GLN A 442 -9.021 -2.269 -7.339 1.00 64.43 C ATOM 2050 CD GLN A 442 -10.249 -3.105 -6.963 1.00 73.03 C ATOM 2051 OE1 GLN A 442 -10.078 -4.417 -6.818 1.00 11.21 O flip ATOM 2052 NE2 GLN A 442 -11.363 -2.585 -6.855 1.00 35.44 N flip ATOM 0 H GLN A 442 -6.821 -3.377 -8.929 1.00 45.24 H new ATOM 0 HA GLN A 442 -6.573 -1.007 -7.294 1.00 63.32 H new ATOM 0 HB2 GLN A 442 -7.617 -3.840 -6.842 1.00 10.21 H new ATOM 0 HB3 GLN A 442 -7.714 -2.568 -5.640 1.00 10.21 H new ATOM 0 HG2 GLN A 442 -9.192 -1.237 -7.033 1.00 64.43 H new ATOM 0 HG3 GLN A 442 -8.917 -2.267 -8.424 1.00 64.43 H new ATOM 0 HE21 GLN A 442 -11.469 -1.577 -6.970 1.00 35.44 H new ATOM 0 HE22 GLN A 442 -12.178 -3.163 -6.650 1.00 35.44 H new ATOM 2061 N LEU A 443 -4.634 -3.610 -6.636 1.00 45.03 N ATOM 2062 CA LEU A 443 -3.354 -3.989 -5.986 1.00 14.45 C ATOM 2063 C LEU A 443 -2.158 -3.243 -6.649 1.00 72.33 C ATOM 2064 O LEU A 443 -1.108 -3.077 -6.020 1.00 3.33 O ATOM 2065 CB LEU A 443 -3.141 -5.538 -6.026 1.00 1.04 C ATOM 2066 CG LEU A 443 -3.911 -6.431 -4.980 1.00 53.11 C ATOM 2067 CD1 LEU A 443 -5.439 -6.243 -5.014 1.00 30.35 C ATOM 2068 CD2 LEU A 443 -3.540 -7.922 -5.182 1.00 0.44 C ATOM 0 H LEU A 443 -5.059 -4.356 -7.186 1.00 45.03 H new ATOM 0 HA LEU A 443 -3.403 -3.687 -4.940 1.00 14.45 H new ATOM 0 HB2 LEU A 443 -3.415 -5.884 -7.023 1.00 1.04 H new ATOM 0 HB3 LEU A 443 -2.075 -5.729 -5.904 1.00 1.04 H new ATOM 0 HG LEU A 443 -3.591 -6.100 -3.992 1.00 53.11 H new ATOM 0 HD11 LEU A 443 -5.902 -6.889 -4.268 1.00 30.35 H new ATOM 0 HD12 LEU A 443 -5.683 -5.203 -4.795 1.00 30.35 H new ATOM 0 HD13 LEU A 443 -5.816 -6.503 -6.003 1.00 30.35 H new ATOM 0 HD21 LEU A 443 -4.076 -8.532 -4.455 1.00 0.44 H new ATOM 0 HD22 LEU A 443 -3.816 -8.232 -6.190 1.00 0.44 H new ATOM 0 HD23 LEU A 443 -2.467 -8.052 -5.043 1.00 0.44 H new ATOM 2080 N ASP A 444 -2.341 -2.801 -7.917 1.00 35.23 N ATOM 2081 CA ASP A 444 -1.299 -2.089 -8.707 1.00 30.31 C ATOM 2082 C ASP A 444 -1.208 -0.612 -8.310 1.00 22.34 C ATOM 2083 O ASP A 444 -0.105 -0.075 -8.166 1.00 4.35 O ATOM 2084 CB ASP A 444 -1.579 -2.201 -10.232 1.00 12.41 C ATOM 2085 CG ASP A 444 -0.529 -1.483 -11.099 1.00 33.41 C ATOM 2086 OD1 ASP A 444 -0.777 -0.338 -11.556 1.00 62.10 O ATOM 2087 OD2 ASP A 444 0.561 -2.056 -11.314 1.00 4.51 O ATOM 0 H ASP A 444 -3.217 -2.927 -8.425 1.00 35.23 H new ATOM 0 HA ASP A 444 -0.346 -2.569 -8.485 1.00 30.31 H new ATOM 0 HB2 ASP A 444 -1.612 -3.254 -10.512 1.00 12.41 H new ATOM 0 HB3 ASP A 444 -2.563 -1.783 -10.445 1.00 12.41 H new ATOM 2092 N THR A 445 -2.374 0.050 -8.150 1.00 42.24 N ATOM 2093 CA THR A 445 -2.422 1.456 -7.715 1.00 43.10 C ATOM 2094 C THR A 445 -1.940 1.558 -6.258 1.00 24.42 C ATOM 2095 O THR A 445 -1.292 2.547 -5.877 1.00 33.42 O ATOM 2096 CB THR A 445 -3.839 2.105 -7.897 1.00 14.52 C ATOM 2097 OG1 THR A 445 -3.794 3.500 -7.540 1.00 50.01 O ATOM 2098 CG2 THR A 445 -4.932 1.413 -7.068 1.00 64.20 C ATOM 0 H THR A 445 -3.290 -0.368 -8.316 1.00 42.24 H new ATOM 0 HA THR A 445 -1.753 2.027 -8.359 1.00 43.10 H new ATOM 0 HB THR A 445 -4.099 1.984 -8.949 1.00 14.52 H new ATOM 0 HG1 THR A 445 -4.682 3.897 -7.658 1.00 50.01 H new ATOM 0 HG21 THR A 445 -5.887 1.910 -7.239 1.00 64.20 H new ATOM 0 HG22 THR A 445 -5.008 0.367 -7.367 1.00 64.20 H new ATOM 0 HG23 THR A 445 -4.677 1.470 -6.010 1.00 64.20 H new ATOM 2106 N MET A 446 -2.250 0.503 -5.455 1.00 54.45 N ATOM 2107 CA MET A 446 -1.713 0.361 -4.102 1.00 65.32 C ATOM 2108 C MET A 446 -0.185 0.253 -4.163 1.00 64.24 C ATOM 2109 O MET A 446 0.499 0.954 -3.441 1.00 73.04 O ATOM 2110 CB MET A 446 -2.281 -0.880 -3.366 1.00 21.43 C ATOM 2111 CG MET A 446 -1.886 -0.918 -1.883 1.00 3.55 C ATOM 2112 SD MET A 446 -2.469 -2.370 -0.995 1.00 22.01 S ATOM 2113 CE MET A 446 -1.860 -1.995 0.652 1.00 11.25 C ATOM 0 H MET A 446 -2.872 -0.255 -5.736 1.00 54.45 H new ATOM 0 HA MET A 446 -2.014 1.246 -3.541 1.00 65.32 H new ATOM 0 HB2 MET A 446 -3.368 -0.881 -3.449 1.00 21.43 H new ATOM 0 HB3 MET A 446 -1.923 -1.785 -3.857 1.00 21.43 H new ATOM 0 HG2 MET A 446 -0.800 -0.873 -1.808 1.00 3.55 H new ATOM 0 HG3 MET A 446 -2.277 -0.026 -1.393 1.00 3.55 H new ATOM 0 HE1 MET A 446 -1.445 -2.897 1.101 1.00 11.25 H new ATOM 0 HE2 MET A 446 -1.085 -1.232 0.588 1.00 11.25 H new ATOM 0 HE3 MET A 446 -2.681 -1.628 1.268 1.00 11.25 H new ATOM 2123 N MET A 447 0.313 -0.623 -5.070 1.00 44.11 N ATOM 2124 CA MET A 447 1.756 -0.900 -5.256 1.00 44.11 C ATOM 2125 C MET A 447 2.560 0.361 -5.580 1.00 72.40 C ATOM 2126 O MET A 447 3.574 0.634 -4.933 1.00 31.31 O ATOM 2127 CB MET A 447 1.974 -1.968 -6.364 1.00 52.02 C ATOM 2128 CG MET A 447 3.426 -2.096 -6.881 1.00 62.12 C ATOM 2129 SD MET A 447 3.756 -3.689 -7.639 1.00 24.13 S ATOM 2130 CE MET A 447 3.553 -4.751 -6.214 1.00 12.15 C ATOM 0 H MET A 447 -0.283 -1.162 -5.698 1.00 44.11 H new ATOM 0 HA MET A 447 2.123 -1.286 -4.305 1.00 44.11 H new ATOM 0 HB2 MET A 447 1.656 -2.937 -5.979 1.00 52.02 H new ATOM 0 HB3 MET A 447 1.325 -1.731 -7.207 1.00 52.02 H new ATOM 0 HG2 MET A 447 3.619 -1.306 -7.607 1.00 62.12 H new ATOM 0 HG3 MET A 447 4.117 -1.943 -6.052 1.00 62.12 H new ATOM 0 HE1 MET A 447 4.413 -5.416 -6.130 1.00 12.15 H new ATOM 0 HE2 MET A 447 3.476 -4.141 -5.314 1.00 12.15 H new ATOM 0 HE3 MET A 447 2.646 -5.344 -6.329 1.00 12.15 H new ATOM 2140 N SER A 448 2.097 1.114 -6.585 1.00 24.43 N ATOM 2141 CA SER A 448 2.788 2.315 -7.071 1.00 12.04 C ATOM 2142 C SER A 448 2.819 3.418 -5.998 1.00 0.55 C ATOM 2143 O SER A 448 3.845 4.100 -5.824 1.00 63.02 O ATOM 2144 CB SER A 448 2.119 2.800 -8.373 1.00 53.41 C ATOM 2145 OG SER A 448 0.703 2.757 -8.272 1.00 64.13 O ATOM 0 H SER A 448 1.232 0.908 -7.085 1.00 24.43 H new ATOM 0 HA SER A 448 3.827 2.065 -7.287 1.00 12.04 H new ATOM 0 HB2 SER A 448 2.439 3.819 -8.592 1.00 53.41 H new ATOM 0 HB3 SER A 448 2.445 2.177 -9.206 1.00 53.41 H new ATOM 0 HG SER A 448 0.306 3.071 -9.111 1.00 64.13 H new ATOM 2151 N LYS A 449 1.696 3.574 -5.262 1.00 51.43 N ATOM 2152 CA LYS A 449 1.627 4.534 -4.148 1.00 52.32 C ATOM 2153 C LYS A 449 2.460 4.057 -2.949 1.00 24.41 C ATOM 2154 O LYS A 449 3.116 4.875 -2.318 1.00 24.50 O ATOM 2155 CB LYS A 449 0.168 4.822 -3.711 1.00 15.34 C ATOM 2156 CG LYS A 449 -0.662 5.593 -4.761 1.00 73.04 C ATOM 2157 CD LYS A 449 -2.020 6.093 -4.214 1.00 35.34 C ATOM 2158 CE LYS A 449 -1.872 7.160 -3.114 1.00 21.33 C ATOM 2159 NZ LYS A 449 -3.194 7.647 -2.622 1.00 5.52 N ATOM 0 H LYS A 449 0.835 3.051 -5.420 1.00 51.43 H new ATOM 0 HA LYS A 449 2.051 5.469 -4.516 1.00 52.32 H new ATOM 0 HB2 LYS A 449 -0.329 3.876 -3.493 1.00 15.34 H new ATOM 0 HB3 LYS A 449 0.184 5.395 -2.784 1.00 15.34 H new ATOM 0 HG2 LYS A 449 -0.084 6.446 -5.117 1.00 73.04 H new ATOM 0 HG3 LYS A 449 -0.839 4.947 -5.621 1.00 73.04 H new ATOM 0 HD2 LYS A 449 -2.606 6.505 -5.035 1.00 35.34 H new ATOM 0 HD3 LYS A 449 -2.579 5.246 -3.817 1.00 35.34 H new ATOM 0 HE2 LYS A 449 -1.306 6.744 -2.280 1.00 21.33 H new ATOM 0 HE3 LYS A 449 -1.297 8.002 -3.501 1.00 21.33 H new ATOM 0 HZ1 LYS A 449 -3.048 8.326 -1.848 1.00 5.52 H new ATOM 0 HZ2 LYS A 449 -3.704 8.113 -3.400 1.00 5.52 H new ATOM 0 HZ3 LYS A 449 -3.753 6.842 -2.275 1.00 5.52 H new ATOM 2173 N LEU A 450 2.465 2.734 -2.659 1.00 13.11 N ATOM 2174 CA LEU A 450 3.187 2.195 -1.483 1.00 53.51 C ATOM 2175 C LEU A 450 4.702 2.143 -1.754 1.00 10.42 C ATOM 2176 O LEU A 450 5.498 2.056 -0.826 1.00 12.43 O ATOM 2177 CB LEU A 450 2.598 0.824 -0.972 1.00 33.42 C ATOM 2178 CG LEU A 450 2.884 -0.519 -1.756 1.00 63.34 C ATOM 2179 CD1 LEU A 450 4.309 -1.080 -1.530 1.00 43.55 C ATOM 2180 CD2 LEU A 450 1.834 -1.596 -1.398 1.00 63.01 C ATOM 0 H LEU A 450 1.983 2.028 -3.216 1.00 13.11 H new ATOM 0 HA LEU A 450 3.029 2.886 -0.655 1.00 53.51 H new ATOM 0 HB2 LEU A 450 2.954 0.682 0.048 1.00 33.42 H new ATOM 0 HB3 LEU A 450 1.516 0.940 -0.918 1.00 33.42 H new ATOM 0 HG LEU A 450 2.811 -0.265 -2.814 1.00 63.34 H new ATOM 0 HD11 LEU A 450 4.432 -2.002 -2.099 1.00 43.55 H new ATOM 0 HD12 LEU A 450 5.045 -0.348 -1.862 1.00 43.55 H new ATOM 0 HD13 LEU A 450 4.455 -1.286 -0.470 1.00 43.55 H new ATOM 0 HD21 LEU A 450 2.050 -2.512 -1.949 1.00 63.01 H new ATOM 0 HD22 LEU A 450 1.871 -1.799 -0.328 1.00 63.01 H new ATOM 0 HD23 LEU A 450 0.840 -1.238 -1.665 1.00 63.01 H new ATOM 2192 N ASN A 451 5.074 2.183 -3.044 1.00 41.44 N ATOM 2193 CA ASN A 451 6.475 2.262 -3.494 1.00 25.02 C ATOM 2194 C ASN A 451 6.996 3.695 -3.287 1.00 34.41 C ATOM 2195 O ASN A 451 8.106 3.904 -2.778 1.00 40.32 O ATOM 2196 CB ASN A 451 6.575 1.842 -4.987 1.00 31.53 C ATOM 2197 CG ASN A 451 8.016 1.729 -5.493 1.00 54.33 C ATOM 2198 OD1 ASN A 451 8.654 0.688 -5.347 1.00 23.10 O ATOM 2199 ND2 ASN A 451 8.527 2.781 -6.097 1.00 32.24 N ATOM 0 H ASN A 451 4.404 2.161 -3.813 1.00 41.44 H new ATOM 0 HA ASN A 451 7.091 1.579 -2.909 1.00 25.02 H new ATOM 0 HB2 ASN A 451 6.075 0.883 -5.121 1.00 31.53 H new ATOM 0 HB3 ASN A 451 6.040 2.569 -5.598 1.00 31.53 H new ATOM 0 HD21 ASN A 451 9.479 2.748 -6.460 1.00 32.24 H new ATOM 0 HD22 ASN A 451 7.970 3.629 -6.202 1.00 32.24 H new ATOM 2206 N ASN A 452 6.142 4.664 -3.684 1.00 20.45 N ATOM 2207 CA ASN A 452 6.363 6.107 -3.480 1.00 25.41 C ATOM 2208 C ASN A 452 6.529 6.415 -1.978 1.00 41.30 C ATOM 2209 O ASN A 452 7.516 7.059 -1.559 1.00 12.24 O ATOM 2210 CB ASN A 452 5.156 6.902 -4.067 1.00 0.25 C ATOM 2211 CG ASN A 452 5.257 8.417 -3.875 1.00 34.00 C ATOM 2212 OD1 ASN A 452 6.349 8.992 -3.903 1.00 21.01 O ATOM 2213 ND2 ASN A 452 4.129 9.076 -3.655 1.00 2.23 N ATOM 0 H ASN A 452 5.265 4.458 -4.163 1.00 20.45 H new ATOM 0 HA ASN A 452 7.276 6.409 -3.994 1.00 25.41 H new ATOM 0 HB2 ASN A 452 5.075 6.686 -5.132 1.00 0.25 H new ATOM 0 HB3 ASN A 452 4.238 6.547 -3.599 1.00 0.25 H new ATOM 0 HD21 ASN A 452 4.149 10.084 -3.503 1.00 2.23 H new ATOM 0 HD22 ASN A 452 3.241 8.575 -3.637 1.00 2.23 H new ATOM 2220 N THR A 453 5.567 5.904 -1.178 1.00 42.32 N ATOM 2221 CA THR A 453 5.536 6.122 0.263 1.00 71.21 C ATOM 2222 C THR A 453 6.774 5.505 0.916 1.00 4.12 C ATOM 2223 O THR A 453 7.565 6.249 1.469 1.00 12.53 O ATOM 2224 CB THR A 453 4.234 5.578 0.923 1.00 53.03 C ATOM 2225 OG1 THR A 453 4.093 4.215 0.602 1.00 22.21 O ATOM 2226 CG2 THR A 453 2.974 6.335 0.464 1.00 21.23 C ATOM 0 H THR A 453 4.797 5.332 -1.524 1.00 42.32 H new ATOM 0 HA THR A 453 5.542 7.199 0.428 1.00 71.21 H new ATOM 0 HB THR A 453 4.328 5.723 1.999 1.00 53.03 H new ATOM 0 HG1 THR A 453 3.607 3.758 1.320 1.00 22.21 H new ATOM 0 HG21 THR A 453 2.097 5.914 0.956 1.00 21.23 H new ATOM 0 HG22 THR A 453 3.066 7.389 0.727 1.00 21.23 H new ATOM 0 HG23 THR A 453 2.865 6.239 -0.616 1.00 21.23 H new ATOM 2234 N SER A 454 6.974 4.165 0.770 1.00 25.24 N ATOM 2235 CA SER A 454 8.102 3.428 1.401 1.00 52.44 C ATOM 2236 C SER A 454 9.460 4.074 1.105 1.00 31.32 C ATOM 2237 O SER A 454 10.365 4.017 1.939 1.00 12.42 O ATOM 2238 CB SER A 454 8.123 1.948 0.954 1.00 70.31 C ATOM 2239 OG SER A 454 8.343 1.826 -0.445 1.00 31.32 O ATOM 0 H SER A 454 6.360 3.570 0.214 1.00 25.24 H new ATOM 0 HA SER A 454 7.934 3.476 2.477 1.00 52.44 H new ATOM 0 HB2 SER A 454 8.906 1.416 1.494 1.00 70.31 H new ATOM 0 HB3 SER A 454 7.177 1.475 1.217 1.00 70.31 H new ATOM 0 HG SER A 454 7.501 1.979 -0.923 1.00 31.32 H new ATOM 2245 N SER A 455 9.583 4.685 -0.090 1.00 53.55 N ATOM 2246 CA SER A 455 10.764 5.463 -0.472 1.00 42.14 C ATOM 2247 C SER A 455 10.984 6.647 0.502 1.00 35.32 C ATOM 2248 O SER A 455 11.965 6.660 1.267 1.00 62.35 O ATOM 2249 CB SER A 455 10.631 5.960 -1.931 1.00 62.44 C ATOM 2250 OG SER A 455 11.811 6.617 -2.372 1.00 62.23 O ATOM 0 H SER A 455 8.864 4.649 -0.812 1.00 53.55 H new ATOM 0 HA SER A 455 11.639 4.816 -0.410 1.00 42.14 H new ATOM 0 HB2 SER A 455 10.419 5.115 -2.586 1.00 62.44 H new ATOM 0 HB3 SER A 455 9.784 6.642 -2.007 1.00 62.44 H new ATOM 0 HG SER A 455 11.692 6.916 -3.298 1.00 62.23 H new ATOM 2256 N TYR A 456 10.041 7.619 0.527 1.00 11.23 N ATOM 2257 CA TYR A 456 10.208 8.825 1.374 1.00 14.33 C ATOM 2258 C TYR A 456 10.035 8.515 2.883 1.00 14.14 C ATOM 2259 O TYR A 456 10.496 9.284 3.721 1.00 24.21 O ATOM 2260 CB TYR A 456 9.332 10.031 0.904 1.00 50.43 C ATOM 2261 CG TYR A 456 7.797 9.853 0.855 1.00 11.12 C ATOM 2262 CD1 TYR A 456 7.040 9.631 2.009 1.00 20.03 C ATOM 2263 CD2 TYR A 456 7.098 9.983 -0.354 1.00 53.01 C ATOM 2264 CE1 TYR A 456 5.666 9.534 1.961 1.00 30.22 C ATOM 2265 CE2 TYR A 456 5.719 9.879 -0.402 1.00 11.45 C ATOM 2266 CZ TYR A 456 5.009 9.662 0.760 1.00 13.43 C ATOM 2267 OH TYR A 456 3.635 9.564 0.715 1.00 54.22 O ATOM 0 H TYR A 456 9.177 7.595 -0.015 1.00 11.23 H new ATOM 0 HA TYR A 456 11.242 9.143 1.240 1.00 14.33 H new ATOM 0 HB2 TYR A 456 9.547 10.873 1.562 1.00 50.43 H new ATOM 0 HB3 TYR A 456 9.665 10.313 -0.095 1.00 50.43 H new ATOM 0 HD1 TYR A 456 7.543 9.533 2.960 1.00 20.03 H new ATOM 0 HD2 TYR A 456 7.647 10.168 -1.266 1.00 53.01 H new ATOM 0 HE1 TYR A 456 5.105 9.357 2.867 1.00 30.22 H new ATOM 0 HE2 TYR A 456 5.201 9.967 -1.346 1.00 11.45 H new ATOM 0 HH TYR A 456 3.329 9.679 -0.209 1.00 54.22 H new ATOM 2277 N LEU A 457 9.372 7.388 3.213 1.00 63.43 N ATOM 2278 CA LEU A 457 9.154 6.944 4.605 1.00 14.21 C ATOM 2279 C LEU A 457 10.440 6.356 5.199 1.00 14.51 C ATOM 2280 O LEU A 457 10.724 6.577 6.377 1.00 24.42 O ATOM 2281 CB LEU A 457 8.011 5.888 4.715 1.00 30.33 C ATOM 2282 CG LEU A 457 6.559 6.368 4.419 1.00 50.34 C ATOM 2283 CD1 LEU A 457 5.544 5.220 4.626 1.00 0.32 C ATOM 2284 CD2 LEU A 457 6.199 7.600 5.258 1.00 13.24 C ATOM 0 H LEU A 457 8.971 6.758 2.519 1.00 63.43 H new ATOM 0 HA LEU A 457 8.859 7.829 5.169 1.00 14.21 H new ATOM 0 HB2 LEU A 457 8.241 5.071 4.032 1.00 30.33 H new ATOM 0 HB3 LEU A 457 8.030 5.475 5.724 1.00 30.33 H new ATOM 0 HG LEU A 457 6.510 6.665 3.371 1.00 50.34 H new ATOM 0 HD11 LEU A 457 4.538 5.581 4.413 1.00 0.32 H new ATOM 0 HD12 LEU A 457 5.784 4.396 3.953 1.00 0.32 H new ATOM 0 HD13 LEU A 457 5.594 4.872 5.658 1.00 0.32 H new ATOM 0 HD21 LEU A 457 5.180 7.911 5.029 1.00 13.24 H new ATOM 0 HD22 LEU A 457 6.274 7.353 6.317 1.00 13.24 H new ATOM 0 HD23 LEU A 457 6.887 8.413 5.025 1.00 13.24 H new ATOM 2296 N THR A 458 11.204 5.585 4.390 1.00 12.24 N ATOM 2297 CA THR A 458 12.467 4.977 4.856 1.00 23.33 C ATOM 2298 C THR A 458 13.535 6.067 5.042 1.00 74.13 C ATOM 2299 O THR A 458 14.325 6.013 5.994 1.00 25.24 O ATOM 2300 CB THR A 458 12.973 3.817 3.911 1.00 45.41 C ATOM 2301 OG1 THR A 458 13.960 3.026 4.587 1.00 72.41 O ATOM 2302 CG2 THR A 458 13.568 4.319 2.579 1.00 42.43 C ATOM 0 H THR A 458 10.969 5.372 3.421 1.00 12.24 H new ATOM 0 HA THR A 458 12.272 4.507 5.820 1.00 23.33 H new ATOM 0 HB THR A 458 12.092 3.223 3.670 1.00 45.41 H new ATOM 0 HG1 THR A 458 14.267 2.309 3.994 1.00 72.41 H new ATOM 0 HG21 THR A 458 13.894 3.467 1.982 1.00 42.43 H new ATOM 0 HG22 THR A 458 12.810 4.878 2.030 1.00 42.43 H new ATOM 0 HG23 THR A 458 14.420 4.967 2.783 1.00 42.43 H new ATOM 2310 N GLN A 459 13.519 7.076 4.142 1.00 21.35 N ATOM 2311 CA GLN A 459 14.376 8.271 4.265 1.00 52.42 C ATOM 2312 C GLN A 459 14.004 9.065 5.534 1.00 24.40 C ATOM 2313 O GLN A 459 14.880 9.507 6.290 1.00 10.10 O ATOM 2314 CB GLN A 459 14.233 9.164 3.005 1.00 21.40 C ATOM 2315 CG GLN A 459 14.615 8.466 1.686 1.00 53.13 C ATOM 2316 CD GLN A 459 14.441 9.343 0.435 1.00 42.32 C ATOM 2317 OE1 GLN A 459 13.455 10.238 0.430 1.00 4.52 O flip ATOM 2318 NE2 GLN A 459 15.186 9.202 -0.540 1.00 43.11 N flip ATOM 0 H GLN A 459 12.917 7.083 3.319 1.00 21.35 H new ATOM 0 HA GLN A 459 15.415 7.952 4.348 1.00 52.42 H new ATOM 0 HB2 GLN A 459 13.202 9.509 2.934 1.00 21.40 H new ATOM 0 HB3 GLN A 459 14.858 10.049 3.128 1.00 21.40 H new ATOM 0 HG2 GLN A 459 15.654 8.142 1.747 1.00 53.13 H new ATOM 0 HG3 GLN A 459 14.007 7.568 1.574 1.00 53.13 H new ATOM 0 HE21 GLN A 459 15.935 8.510 -0.514 1.00 43.11 H new ATOM 0 HE22 GLN A 459 15.052 9.778 -1.371 1.00 43.11 H new ATOM 2327 N GLN A 460 12.680 9.208 5.760 1.00 3.14 N ATOM 2328 CA GLN A 460 12.120 9.910 6.928 1.00 62.02 C ATOM 2329 C GLN A 460 12.425 9.144 8.226 1.00 72.20 C ATOM 2330 O GLN A 460 12.623 9.759 9.259 1.00 20.52 O ATOM 2331 CB GLN A 460 10.588 10.117 6.757 1.00 10.00 C ATOM 2332 CG GLN A 460 9.901 10.939 7.872 1.00 64.44 C ATOM 2333 CD GLN A 460 10.456 12.364 8.014 1.00 52.14 C ATOM 2334 OE1 GLN A 460 11.447 12.544 8.879 1.00 61.33 O flip ATOM 2335 NE2 GLN A 460 9.995 13.296 7.355 1.00 51.44 N flip ATOM 0 H GLN A 460 11.968 8.836 5.131 1.00 3.14 H new ATOM 0 HA GLN A 460 12.593 10.890 6.996 1.00 62.02 H new ATOM 0 HB2 GLN A 460 10.410 10.612 5.802 1.00 10.00 H new ATOM 0 HB3 GLN A 460 10.110 9.139 6.703 1.00 10.00 H new ATOM 0 HG2 GLN A 460 8.832 10.993 7.666 1.00 64.44 H new ATOM 0 HG3 GLN A 460 10.017 10.416 8.821 1.00 64.44 H new ATOM 0 HE21 GLN A 460 9.233 13.128 6.698 1.00 51.44 H new ATOM 0 HE22 GLN A 460 10.375 14.236 7.466 1.00 51.44 H new ATOM 2344 N PHE A 461 12.479 7.805 8.153 1.00 0.44 N ATOM 2345 CA PHE A 461 12.789 6.952 9.314 1.00 61.21 C ATOM 2346 C PHE A 461 14.240 7.161 9.755 1.00 2.44 C ATOM 2347 O PHE A 461 14.499 7.440 10.924 1.00 5.14 O ATOM 2348 CB PHE A 461 12.541 5.457 8.987 1.00 64.20 C ATOM 2349 CG PHE A 461 12.963 4.488 10.097 1.00 34.22 C ATOM 2350 CD1 PHE A 461 12.453 4.622 11.392 1.00 61.14 C ATOM 2351 CD2 PHE A 461 13.881 3.459 9.854 1.00 52.04 C ATOM 2352 CE1 PHE A 461 12.856 3.774 12.402 1.00 22.21 C ATOM 2353 CE2 PHE A 461 14.274 2.607 10.870 1.00 12.34 C ATOM 2354 CZ PHE A 461 13.761 2.764 12.142 1.00 64.33 C ATOM 0 H PHE A 461 12.310 7.284 7.293 1.00 0.44 H new ATOM 0 HA PHE A 461 12.126 7.238 10.130 1.00 61.21 H new ATOM 0 HB2 PHE A 461 11.480 5.314 8.780 1.00 64.20 H new ATOM 0 HB3 PHE A 461 13.081 5.203 8.075 1.00 64.20 H new ATOM 0 HD1 PHE A 461 11.734 5.400 11.604 1.00 61.14 H new ATOM 0 HD2 PHE A 461 14.287 3.329 8.862 1.00 52.04 H new ATOM 0 HE1 PHE A 461 12.462 3.900 13.400 1.00 22.21 H new ATOM 0 HE2 PHE A 461 14.983 1.818 10.668 1.00 12.34 H new ATOM 0 HZ PHE A 461 14.068 2.097 12.934 1.00 64.33 H new ATOM 2364 N THR A 462 15.164 7.026 8.790 1.00 21.23 N ATOM 2365 CA THR A 462 16.609 7.144 9.032 1.00 35.24 C ATOM 2366 C THR A 462 16.967 8.530 9.603 1.00 71.03 C ATOM 2367 O THR A 462 17.787 8.633 10.512 1.00 24.23 O ATOM 2368 CB THR A 462 17.406 6.869 7.714 1.00 60.31 C ATOM 2369 OG1 THR A 462 17.028 5.582 7.194 1.00 20.33 O ATOM 2370 CG2 THR A 462 18.932 6.899 7.926 1.00 24.34 C ATOM 0 H THR A 462 14.928 6.831 7.817 1.00 21.23 H new ATOM 0 HA THR A 462 16.890 6.395 9.773 1.00 35.24 H new ATOM 0 HB THR A 462 17.158 7.664 7.011 1.00 60.31 H new ATOM 0 HG1 THR A 462 16.148 5.647 6.767 1.00 20.33 H new ATOM 0 HG21 THR A 462 19.435 6.702 6.979 1.00 24.34 H new ATOM 0 HG22 THR A 462 19.229 7.880 8.297 1.00 24.34 H new ATOM 0 HG23 THR A 462 19.214 6.136 8.652 1.00 24.34 H new ATOM 2378 N ALA A 463 16.307 9.580 9.083 1.00 12.34 N ATOM 2379 CA ALA A 463 16.547 10.969 9.514 1.00 14.51 C ATOM 2380 C ALA A 463 15.894 11.264 10.883 1.00 52.24 C ATOM 2381 O ALA A 463 16.562 11.722 11.809 1.00 43.44 O ATOM 2382 CB ALA A 463 16.032 11.940 8.447 1.00 3.24 C ATOM 0 H ALA A 463 15.596 9.491 8.357 1.00 12.34 H new ATOM 0 HA ALA A 463 17.622 11.106 9.634 1.00 14.51 H new ATOM 0 HB1 ALA A 463 16.212 12.965 8.771 1.00 3.24 H new ATOM 0 HB2 ALA A 463 16.555 11.759 7.508 1.00 3.24 H new ATOM 0 HB3 ALA A 463 14.962 11.788 8.302 1.00 3.24 H new ATOM 2388 N MET A 464 14.592 10.961 11.015 1.00 14.32 N ATOM 2389 CA MET A 464 13.819 11.243 12.251 1.00 2.53 C ATOM 2390 C MET A 464 14.408 10.486 13.459 1.00 4.21 C ATOM 2391 O MET A 464 14.407 10.994 14.583 1.00 64.45 O ATOM 2392 CB MET A 464 12.324 10.877 12.055 1.00 0.51 C ATOM 2393 CG MET A 464 11.397 11.210 13.229 1.00 15.45 C ATOM 2394 SD MET A 464 9.680 10.773 12.895 1.00 33.35 S ATOM 2395 CE MET A 464 9.247 11.876 11.548 1.00 33.13 C ATOM 0 H MET A 464 14.043 10.517 10.279 1.00 14.32 H new ATOM 0 HA MET A 464 13.890 12.311 12.456 1.00 2.53 H new ATOM 0 HB2 MET A 464 11.956 11.393 11.168 1.00 0.51 H new ATOM 0 HB3 MET A 464 12.254 9.808 11.853 1.00 0.51 H new ATOM 0 HG2 MET A 464 11.737 10.680 14.119 1.00 15.45 H new ATOM 0 HG3 MET A 464 11.462 12.276 13.448 1.00 15.45 H new ATOM 0 HE1 MET A 464 8.175 11.817 11.360 1.00 33.13 H new ATOM 0 HE2 MET A 464 9.513 12.899 11.815 1.00 33.13 H new ATOM 0 HE3 MET A 464 9.789 11.583 10.649 1.00 33.13 H new ATOM 2405 N ASN A 465 14.950 9.287 13.196 1.00 34.30 N ATOM 2406 CA ASN A 465 15.607 8.471 14.225 1.00 54.21 C ATOM 2407 C ASN A 465 17.057 8.972 14.451 1.00 73.30 C ATOM 2408 O ASN A 465 17.383 9.432 15.549 1.00 65.25 O ATOM 2409 CB ASN A 465 15.560 6.966 13.852 1.00 11.30 C ATOM 2410 CG ASN A 465 15.949 6.041 15.006 1.00 20.33 C ATOM 2411 OD1 ASN A 465 15.815 6.392 16.178 1.00 15.24 O ATOM 2412 ND2 ASN A 465 16.382 4.836 14.687 1.00 1.42 N ATOM 0 H ASN A 465 14.945 8.859 12.270 1.00 34.30 H new ATOM 0 HA ASN A 465 15.066 8.579 15.165 1.00 54.21 H new ATOM 0 HB2 ASN A 465 14.554 6.714 13.517 1.00 11.30 H new ATOM 0 HB3 ASN A 465 16.230 6.787 13.011 1.00 11.30 H new ATOM 0 HD21 ASN A 465 16.616 4.167 15.421 1.00 1.42 H new ATOM 0 HD22 ASN A 465 16.483 4.573 13.707 1.00 1.42 H new ATOM 2419 N LYS A 466 17.931 8.880 13.421 1.00 70.45 N ATOM 2420 CA LYS A 466 19.325 9.412 13.490 1.00 71.42 C ATOM 2421 C LYS A 466 19.652 10.386 12.315 1.00 31.44 C ATOM 2422 O LYS A 466 20.251 9.989 11.310 1.00 30.33 O ATOM 2423 CB LYS A 466 20.381 8.256 13.600 1.00 0.12 C ATOM 2424 CG LYS A 466 20.358 7.170 12.477 1.00 72.12 C ATOM 2425 CD LYS A 466 19.284 6.072 12.672 1.00 52.42 C ATOM 2426 CE LYS A 466 19.514 5.231 13.948 1.00 30.42 C ATOM 2427 NZ LYS A 466 20.830 4.534 13.953 1.00 35.53 N ATOM 0 H LYS A 466 17.701 8.443 12.529 1.00 70.45 H new ATOM 0 HA LYS A 466 19.389 10.000 14.405 1.00 71.42 H new ATOM 0 HB2 LYS A 466 21.374 8.704 13.618 1.00 0.12 H new ATOM 0 HB3 LYS A 466 20.239 7.756 14.558 1.00 0.12 H new ATOM 0 HG2 LYS A 466 20.190 7.660 11.518 1.00 72.12 H new ATOM 0 HG3 LYS A 466 21.339 6.697 12.425 1.00 72.12 H new ATOM 0 HD2 LYS A 466 18.300 6.537 12.721 1.00 52.42 H new ATOM 0 HD3 LYS A 466 19.282 5.413 11.803 1.00 52.42 H new ATOM 0 HE2 LYS A 466 19.449 5.880 14.821 1.00 30.42 H new ATOM 0 HE3 LYS A 466 18.717 4.493 14.039 1.00 30.42 H new ATOM 0 HZ1 LYS A 466 20.881 3.894 14.771 1.00 35.53 H new ATOM 0 HZ2 LYS A 466 20.935 3.984 13.077 1.00 35.53 H new ATOM 0 HZ3 LYS A 466 21.595 5.236 14.014 1.00 35.53 H new ATOM 2441 N SER A 467 19.207 11.653 12.410 1.00 60.45 N ATOM 2442 CA SER A 467 19.683 12.721 11.506 1.00 41.04 C ATOM 2443 C SER A 467 21.093 13.189 11.961 1.00 40.05 C ATOM 2444 O SER A 467 21.197 13.876 13.001 1.00 45.32 O ATOM 2445 CB SER A 467 18.682 13.900 11.467 1.00 65.52 C ATOM 2446 OG SER A 467 18.971 14.796 10.407 1.00 13.41 O ATOM 2447 OXT SER A 467 22.095 12.844 11.293 1.00 37.38 O ATOM 0 H SER A 467 18.522 11.963 13.099 1.00 60.45 H new ATOM 0 HA SER A 467 19.754 12.328 10.492 1.00 41.04 H new ATOM 0 HB2 SER A 467 17.669 13.514 11.352 1.00 65.52 H new ATOM 0 HB3 SER A 467 18.713 14.436 12.416 1.00 65.52 H new ATOM 0 HG SER A 467 18.319 15.528 10.410 1.00 13.41 H new TER 2453 SER A 467