USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 934 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 98 ASN : amide:sc= -0.0119 X(o=-0.56,f=-0.77) USER MOD Set 1.2: A 102 SER OG : rot 53:sc= -0.549! USER MOD Set 2.1: A 101 ASN : amide:sc= 0.562 K(o=1.2,f=-0.75) USER MOD Set 2.2: A 105 LYS NZ :NH3+ -168:sc= 0.618 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0169 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -56:sc= 0.702 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -2.5! C(o=-2.5!,f=-2.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 136:sc= 0.0816 (180deg=-0.0136) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 0.183 (180deg=-0.717) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -9.24! C(o=-9.2!,f=-9.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.21 K(o=-1.2,f=-3!) USER MOD Single : A 45 CYS SG : rot 140:sc= -1.99! USER MOD Single : A 50 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.36) USER MOD Single : A 51 ASN : amide:sc= -8.24! C(o=-8.2!,f=-17!) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -3.51! C(o=-4.6!,f=-3.5!) USER MOD Single : A 54 ASN : amide:sc= -3.42! C(o=-3.4!,f=-3.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 96:sc= -0.262 USER MOD Single : A 63 THR OG1 : rot -140:sc= -3.36 USER MOD Single : A 74 HIS : no HD1:sc= -16.5! C(o=-16!,f=-17!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.601 K(o=0.6,f=-3.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0275 USER MOD Single : A 94 ASN : amide:sc=-0.00714 X(o=-0.0071,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -15.9! C(o=-16!,f=-16!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -30:sc= 0.377 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.599 15.127 17.534 1.00 0.00 N ATOM 2 CA GLY A 1 -20.729 16.513 17.950 1.00 0.00 C ATOM 3 C GLY A 1 -19.378 17.085 18.382 1.00 0.00 C ATOM 4 O GLY A 1 -18.356 16.816 17.753 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.195 14.958 16.698 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.606 14.927 17.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.903 14.502 18.308 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.133 17.106 17.130 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.438 16.584 18.775 1.00 0.00 H new ATOM 8 N ILE A 2 -19.416 17.864 19.453 1.00 0.00 N ATOM 9 CA ILE A 2 -18.207 18.476 19.977 1.00 0.00 C ATOM 10 C ILE A 2 -18.081 18.153 21.467 1.00 0.00 C ATOM 11 O ILE A 2 -18.272 19.025 22.313 1.00 0.00 O ATOM 12 CB ILE A 2 -18.189 19.975 19.669 1.00 0.00 C ATOM 13 CG1 ILE A 2 -17.791 20.231 18.214 1.00 0.00 C ATOM 14 CG2 ILE A 2 -17.287 20.726 20.651 1.00 0.00 C ATOM 15 CD1 ILE A 2 -16.289 20.020 18.011 1.00 0.00 C ATOM 0 H ILE A 2 -20.266 18.085 19.972 1.00 0.00 H new ATOM 0 HA ILE A 2 -17.327 18.062 19.485 1.00 0.00 H new ATOM 0 HB ILE A 2 -19.199 20.363 19.799 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -18.348 19.562 17.558 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -18.060 21.249 17.933 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -17.292 21.789 20.410 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -17.656 20.583 21.667 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -16.270 20.342 20.577 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -16.033 20.208 16.968 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -15.735 20.707 18.651 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -16.028 18.994 18.269 1.00 0.00 H new ATOM 27 N PRO A 3 -17.751 16.864 21.749 1.00 0.00 N ATOM 28 CA PRO A 3 -17.597 16.415 23.122 1.00 0.00 C ATOM 29 C PRO A 3 -16.282 16.919 23.720 1.00 0.00 C ATOM 30 O PRO A 3 -15.726 17.913 23.257 1.00 0.00 O ATOM 31 CB PRO A 3 -17.675 14.899 23.051 1.00 0.00 C ATOM 32 CG PRO A 3 -17.404 14.535 21.601 1.00 0.00 C ATOM 33 CD PRO A 3 -17.517 15.804 20.773 1.00 0.00 C ATOM 0 HA PRO A 3 -18.369 16.810 23.783 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.941 14.439 23.713 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -18.656 14.543 23.366 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.411 14.098 21.496 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -18.119 13.788 21.255 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.607 15.986 20.201 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -18.336 15.738 20.056 1.00 0.00 H new ATOM 41 N ASP A 4 -15.822 16.209 24.740 1.00 0.00 N ATOM 42 CA ASP A 4 -14.582 16.571 25.405 1.00 0.00 C ATOM 43 C ASP A 4 -13.412 16.365 24.441 1.00 0.00 C ATOM 44 O ASP A 4 -13.553 15.691 23.422 1.00 0.00 O ATOM 45 CB ASP A 4 -14.341 15.695 26.636 1.00 0.00 C ATOM 46 CG ASP A 4 -13.318 16.245 27.631 1.00 0.00 C ATOM 47 OD1 ASP A 4 -13.418 17.453 27.938 1.00 0.00 O ATOM 48 OD2 ASP A 4 -12.460 15.446 28.063 1.00 0.00 O ATOM 0 H ASP A 4 -16.286 15.385 25.122 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.657 17.614 25.714 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.290 15.554 27.154 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.010 14.711 26.304 1.00 0.00 H new ATOM 53 N LEU A 5 -12.282 16.959 24.798 1.00 0.00 N ATOM 54 CA LEU A 5 -11.088 16.849 23.977 1.00 0.00 C ATOM 55 C LEU A 5 -11.186 17.830 22.807 1.00 0.00 C ATOM 56 O LEU A 5 -10.358 17.803 21.899 1.00 0.00 O ATOM 57 CB LEU A 5 -10.866 15.398 23.546 1.00 0.00 C ATOM 58 CG LEU A 5 -11.356 14.326 24.522 1.00 0.00 C ATOM 59 CD1 LEU A 5 -12.355 13.385 23.846 1.00 0.00 C ATOM 60 CD2 LEU A 5 -10.179 13.565 25.137 1.00 0.00 C ATOM 0 H LEU A 5 -12.168 17.517 25.644 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.204 17.125 24.552 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.363 15.244 22.588 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.799 15.249 23.379 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.881 14.822 25.338 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.688 12.633 24.561 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.214 13.957 23.495 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.876 12.894 22.999 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.555 12.809 25.827 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.605 13.081 24.346 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.537 14.262 25.677 1.00 0.00 H new ATOM 72 N VAL A 6 -12.207 18.673 22.868 1.00 0.00 N ATOM 73 CA VAL A 6 -12.424 19.660 21.824 1.00 0.00 C ATOM 74 C VAL A 6 -12.009 21.040 22.339 1.00 0.00 C ATOM 75 O VAL A 6 -10.928 21.196 22.905 1.00 0.00 O ATOM 76 CB VAL A 6 -13.879 19.611 21.352 1.00 0.00 C ATOM 77 CG1 VAL A 6 -14.070 20.438 20.079 1.00 0.00 C ATOM 78 CG2 VAL A 6 -14.339 18.167 21.143 1.00 0.00 C ATOM 0 H VAL A 6 -12.892 18.693 23.623 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.806 19.438 20.954 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.500 20.050 22.133 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.112 20.386 19.765 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.801 21.476 20.276 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -13.433 20.042 19.289 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.376 18.160 20.808 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.711 17.691 20.390 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.258 17.620 22.082 1.00 0.00 H new ATOM 88 N LYS A 7 -12.891 22.006 22.126 1.00 0.00 N ATOM 89 CA LYS A 7 -12.629 23.367 22.561 1.00 0.00 C ATOM 90 C LYS A 7 -11.155 23.700 22.323 1.00 0.00 C ATOM 91 O LYS A 7 -10.573 24.509 23.044 1.00 0.00 O ATOM 92 CB LYS A 7 -13.077 23.561 24.011 1.00 0.00 C ATOM 93 CG LYS A 7 -14.338 24.424 24.085 1.00 0.00 C ATOM 94 CD LYS A 7 -15.420 23.742 24.926 1.00 0.00 C ATOM 95 CE LYS A 7 -15.520 24.381 26.312 1.00 0.00 C ATOM 96 NZ LYS A 7 -16.762 23.950 26.993 1.00 0.00 N ATOM 0 H LYS A 7 -13.787 21.873 21.658 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.214 24.074 21.973 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.269 22.591 24.469 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.277 24.031 24.583 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.094 25.394 24.517 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.716 24.609 23.080 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.381 23.815 24.417 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.193 22.681 25.026 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.654 24.101 26.911 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.507 25.467 26.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.814 24.393 27.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.586 24.239 26.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.759 22.915 27.098 1.00 0.00 H new ATOM 110 N GLY A 8 -10.593 23.060 21.308 1.00 0.00 N ATOM 111 CA GLY A 8 -9.198 23.278 20.966 1.00 0.00 C ATOM 112 C GLY A 8 -8.414 21.964 20.997 1.00 0.00 C ATOM 113 O GLY A 8 -7.693 21.690 21.955 1.00 0.00 O ATOM 0 H GLY A 8 -11.079 22.390 20.711 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.128 23.724 19.974 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.755 23.987 21.666 1.00 0.00 H new ATOM 117 N PRO A 9 -8.586 21.166 19.909 1.00 0.00 N ATOM 118 CA PRO A 9 -7.903 19.888 19.802 1.00 0.00 C ATOM 119 C PRO A 9 -6.423 20.084 19.468 1.00 0.00 C ATOM 120 O PRO A 9 -5.954 21.215 19.350 1.00 0.00 O ATOM 121 CB PRO A 9 -8.659 19.127 18.726 1.00 0.00 C ATOM 122 CG PRO A 9 -9.441 20.172 17.947 1.00 0.00 C ATOM 123 CD PRO A 9 -9.432 21.459 18.755 1.00 0.00 C ATOM 0 HA PRO A 9 -7.903 19.331 20.739 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.972 18.587 18.074 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.327 18.388 19.167 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.991 20.333 16.967 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.464 19.835 17.777 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.033 22.290 18.172 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.439 21.740 19.063 1.00 0.00 H new ATOM 131 N TRP A 10 -5.729 18.964 19.326 1.00 0.00 N ATOM 132 CA TRP A 10 -4.311 18.998 19.008 1.00 0.00 C ATOM 133 C TRP A 10 -4.157 19.565 17.595 1.00 0.00 C ATOM 134 O TRP A 10 -5.109 19.567 16.816 1.00 0.00 O ATOM 135 CB TRP A 10 -3.680 17.614 19.169 1.00 0.00 C ATOM 136 CG TRP A 10 -3.748 17.061 20.594 1.00 0.00 C ATOM 137 CD1 TRP A 10 -4.767 17.140 21.462 1.00 0.00 C ATOM 138 CD2 TRP A 10 -2.710 16.336 21.286 1.00 0.00 C ATOM 139 NE1 TRP A 10 -4.462 16.522 22.657 1.00 0.00 N ATOM 140 CE2 TRP A 10 -3.171 16.017 22.547 1.00 0.00 C ATOM 141 CE3 TRP A 10 -1.423 15.962 20.860 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -2.411 15.309 23.485 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -0.675 15.255 21.810 1.00 0.00 C ATOM 144 CH2 TRP A 10 -1.125 14.926 23.083 1.00 0.00 C ATOM 0 H TRP A 10 -6.122 18.028 19.425 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.775 19.645 19.703 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.180 16.918 18.496 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.636 17.664 18.859 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.708 17.626 21.252 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.071 16.449 23.472 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.042 16.201 19.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -2.795 15.071 24.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.322 14.944 21.534 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -0.486 14.378 23.759 1.00 0.00 H new ATOM 155 N THR A 11 -2.951 20.031 17.307 1.00 0.00 N ATOM 156 CA THR A 11 -2.660 20.598 16.002 1.00 0.00 C ATOM 157 C THR A 11 -1.176 20.434 15.667 1.00 0.00 C ATOM 158 O THR A 11 -0.383 20.043 16.522 1.00 0.00 O ATOM 159 CB THR A 11 -3.124 22.056 16.006 1.00 0.00 C ATOM 160 OG1 THR A 11 -2.064 22.757 16.651 1.00 0.00 O ATOM 161 CG2 THR A 11 -4.331 22.284 16.919 1.00 0.00 C ATOM 0 H THR A 11 -2.164 20.027 17.956 1.00 0.00 H new ATOM 0 HA THR A 11 -3.199 20.072 15.214 1.00 0.00 H new ATOM 0 HB THR A 11 -3.375 22.359 14.990 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.903 22.366 17.535 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.620 23.335 16.885 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.164 21.668 16.581 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.070 22.012 17.942 1.00 0.00 H new ATOM 169 N LYS A 12 -0.845 20.742 14.422 1.00 0.00 N ATOM 170 CA LYS A 12 0.530 20.634 13.964 1.00 0.00 C ATOM 171 C LYS A 12 1.467 21.178 15.044 1.00 0.00 C ATOM 172 O LYS A 12 2.579 20.681 15.214 1.00 0.00 O ATOM 173 CB LYS A 12 0.697 21.315 12.605 1.00 0.00 C ATOM 174 CG LYS A 12 2.036 20.942 11.965 1.00 0.00 C ATOM 175 CD LYS A 12 2.851 22.193 11.629 1.00 0.00 C ATOM 176 CE LYS A 12 2.963 22.384 10.115 1.00 0.00 C ATOM 177 NZ LYS A 12 3.672 23.645 9.803 1.00 0.00 N ATOM 0 H LYS A 12 -1.505 21.067 13.716 1.00 0.00 H new ATOM 0 HA LYS A 12 0.798 19.589 13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.120 21.022 11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.637 22.397 12.726 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.603 20.306 12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.861 20.363 11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.380 23.069 12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.847 22.110 12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.496 21.541 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.968 22.399 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.739 23.759 8.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.148 24.447 10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.628 23.616 10.211 1.00 0.00 H new ATOM 191 N GLU A 13 0.983 22.192 15.747 1.00 0.00 N ATOM 192 CA GLU A 13 1.763 22.809 16.806 1.00 0.00 C ATOM 193 C GLU A 13 2.145 21.767 17.859 1.00 0.00 C ATOM 194 O GLU A 13 3.292 21.719 18.302 1.00 0.00 O ATOM 195 CB GLU A 13 1.002 23.975 17.439 1.00 0.00 C ATOM 196 CG GLU A 13 1.939 25.149 17.728 1.00 0.00 C ATOM 197 CD GLU A 13 2.011 25.438 19.229 1.00 0.00 C ATOM 198 OE1 GLU A 13 0.988 25.917 19.764 1.00 0.00 O ATOM 199 OE2 GLU A 13 3.087 25.173 19.807 1.00 0.00 O ATOM 0 H GLU A 13 0.060 22.602 15.603 1.00 0.00 H new ATOM 0 HA GLU A 13 2.678 23.210 16.371 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.204 24.298 16.771 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.530 23.646 18.364 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.936 24.925 17.349 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.590 26.036 17.200 1.00 0.00 H new ATOM 206 N GLU A 14 1.163 20.959 18.230 1.00 0.00 N ATOM 207 CA GLU A 14 1.383 19.921 19.223 1.00 0.00 C ATOM 208 C GLU A 14 2.469 18.954 18.749 1.00 0.00 C ATOM 209 O GLU A 14 3.339 18.562 19.526 1.00 0.00 O ATOM 210 CB GLU A 14 0.083 19.176 19.533 1.00 0.00 C ATOM 211 CG GLU A 14 -0.769 19.954 20.538 1.00 0.00 C ATOM 212 CD GLU A 14 -0.652 21.462 20.304 1.00 0.00 C ATOM 213 OE1 GLU A 14 -1.243 21.929 19.306 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.026 22.113 21.127 1.00 0.00 O ATOM 0 H GLU A 14 0.213 21.002 17.861 1.00 0.00 H new ATOM 0 HA GLU A 14 1.722 20.393 20.145 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.481 19.024 18.613 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.312 18.188 19.933 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.812 19.648 20.450 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.451 19.714 21.553 1.00 0.00 H new ATOM 221 N ASP A 15 2.385 18.597 17.476 1.00 0.00 N ATOM 222 CA ASP A 15 3.350 17.683 16.889 1.00 0.00 C ATOM 223 C ASP A 15 4.721 18.360 16.839 1.00 0.00 C ATOM 224 O ASP A 15 5.653 17.933 17.520 1.00 0.00 O ATOM 225 CB ASP A 15 2.956 17.309 15.458 1.00 0.00 C ATOM 226 CG ASP A 15 2.077 16.063 15.335 1.00 0.00 C ATOM 227 OD1 ASP A 15 2.168 15.212 16.247 1.00 0.00 O ATOM 228 OD2 ASP A 15 1.336 15.988 14.332 1.00 0.00 O ATOM 0 H ASP A 15 1.663 18.924 16.834 1.00 0.00 H new ATOM 0 HA ASP A 15 3.378 16.782 17.503 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.430 18.152 15.010 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.864 17.154 14.876 1.00 0.00 H new ATOM 233 N GLN A 16 4.802 19.404 16.027 1.00 0.00 N ATOM 234 CA GLN A 16 6.044 20.143 15.880 1.00 0.00 C ATOM 235 C GLN A 16 6.758 20.256 17.229 1.00 0.00 C ATOM 236 O GLN A 16 7.985 20.308 17.283 1.00 0.00 O ATOM 237 CB GLN A 16 5.790 21.526 15.277 1.00 0.00 C ATOM 238 CG GLN A 16 4.916 22.376 16.202 1.00 0.00 C ATOM 239 CD GLN A 16 4.821 23.817 15.696 1.00 0.00 C ATOM 240 OE1 GLN A 16 5.343 24.746 16.289 1.00 0.00 O ATOM 241 NE2 GLN A 16 4.127 23.950 14.569 1.00 0.00 N ATOM 0 H GLN A 16 4.027 19.755 15.464 1.00 0.00 H new ATOM 0 HA GLN A 16 6.691 19.596 15.194 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.740 22.031 15.103 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.304 21.420 14.307 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.918 21.942 16.265 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.331 22.367 17.210 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.716 23.130 14.124 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.006 24.872 14.150 1.00 0.00 H new ATOM 250 N LYS A 17 5.958 20.290 18.284 1.00 0.00 N ATOM 251 CA LYS A 17 6.498 20.395 19.629 1.00 0.00 C ATOM 252 C LYS A 17 7.057 19.037 20.057 1.00 0.00 C ATOM 253 O LYS A 17 8.252 18.908 20.318 1.00 0.00 O ATOM 254 CB LYS A 17 5.444 20.956 20.587 1.00 0.00 C ATOM 255 CG LYS A 17 6.100 21.753 21.717 1.00 0.00 C ATOM 256 CD LYS A 17 5.194 21.803 22.949 1.00 0.00 C ATOM 257 CE LYS A 17 5.390 23.109 23.721 1.00 0.00 C ATOM 258 NZ LYS A 17 4.304 23.296 24.709 1.00 0.00 N ATOM 0 H LYS A 17 4.940 20.247 18.235 1.00 0.00 H new ATOM 0 HA LYS A 17 7.326 21.103 19.653 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.753 21.596 20.039 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.857 20.139 21.006 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.055 21.298 21.981 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.313 22.766 21.376 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.152 21.710 22.643 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.411 20.956 23.599 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.354 23.096 24.230 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.407 23.949 23.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.453 24.187 25.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.389 23.329 24.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.306 22.503 25.382 1.00 0.00 H new ATOM 272 N VAL A 18 6.167 18.058 20.116 1.00 0.00 N ATOM 273 CA VAL A 18 6.557 16.714 20.508 1.00 0.00 C ATOM 274 C VAL A 18 7.640 16.204 19.556 1.00 0.00 C ATOM 275 O VAL A 18 8.325 15.227 19.855 1.00 0.00 O ATOM 276 CB VAL A 18 5.326 15.806 20.557 1.00 0.00 C ATOM 277 CG1 VAL A 18 5.702 14.358 20.234 1.00 0.00 C ATOM 278 CG2 VAL A 18 4.627 15.902 21.914 1.00 0.00 C ATOM 0 H VAL A 18 5.177 18.168 19.899 1.00 0.00 H new ATOM 0 HA VAL A 18 6.982 16.716 21.512 1.00 0.00 H new ATOM 0 HB VAL A 18 4.625 16.149 19.796 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.810 13.733 20.275 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.134 14.309 19.234 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.430 14.000 20.962 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.756 15.247 21.922 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.317 15.597 22.701 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.309 16.930 22.088 1.00 0.00 H new ATOM 288 N ILE A 19 7.761 16.888 18.427 1.00 0.00 N ATOM 289 CA ILE A 19 8.749 16.516 17.429 1.00 0.00 C ATOM 290 C ILE A 19 10.104 17.113 17.813 1.00 0.00 C ATOM 291 O ILE A 19 11.028 16.384 18.171 1.00 0.00 O ATOM 292 CB ILE A 19 8.274 16.916 16.031 1.00 0.00 C ATOM 293 CG1 ILE A 19 7.373 15.837 15.427 1.00 0.00 C ATOM 294 CG2 ILE A 19 9.461 17.246 15.123 1.00 0.00 C ATOM 295 CD1 ILE A 19 6.559 15.132 16.514 1.00 0.00 C ATOM 0 H ILE A 19 7.191 17.698 18.182 1.00 0.00 H new ATOM 0 HA ILE A 19 8.874 15.434 17.400 1.00 0.00 H new ATOM 0 HB ILE A 19 7.674 17.822 16.120 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.700 16.287 14.697 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.981 15.108 14.892 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.096 17.527 14.135 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.027 18.074 15.550 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.107 16.372 15.036 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.927 14.370 16.058 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.235 14.663 17.228 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.934 15.860 17.031 1.00 0.00 H new ATOM 307 N GLU A 20 10.180 18.433 17.725 1.00 0.00 N ATOM 308 CA GLU A 20 11.408 19.135 18.058 1.00 0.00 C ATOM 309 C GLU A 20 11.858 18.774 19.475 1.00 0.00 C ATOM 310 O GLU A 20 13.020 18.965 19.829 1.00 0.00 O ATOM 311 CB GLU A 20 11.232 20.648 17.908 1.00 0.00 C ATOM 312 CG GLU A 20 11.200 21.052 16.432 1.00 0.00 C ATOM 313 CD GLU A 20 11.289 22.571 16.278 1.00 0.00 C ATOM 314 OE1 GLU A 20 10.244 23.225 16.489 1.00 0.00 O ATOM 315 OE2 GLU A 20 12.399 23.045 15.953 1.00 0.00 O ATOM 0 H GLU A 20 9.412 19.034 17.428 1.00 0.00 H new ATOM 0 HA GLU A 20 12.184 18.821 17.360 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.308 20.960 18.394 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.048 21.165 18.413 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.029 20.580 15.904 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.281 20.689 15.972 1.00 0.00 H new ATOM 322 N LEU A 21 10.913 18.259 20.249 1.00 0.00 N ATOM 323 CA LEU A 21 11.198 17.869 21.619 1.00 0.00 C ATOM 324 C LEU A 21 11.902 16.510 21.623 1.00 0.00 C ATOM 325 O LEU A 21 13.067 16.412 22.003 1.00 0.00 O ATOM 326 CB LEU A 21 9.922 17.903 22.462 1.00 0.00 C ATOM 327 CG LEU A 21 9.555 19.259 23.070 1.00 0.00 C ATOM 328 CD1 LEU A 21 8.082 19.296 23.480 1.00 0.00 C ATOM 329 CD2 LEU A 21 10.483 19.606 24.236 1.00 0.00 C ATOM 0 H LEU A 21 9.949 18.103 19.953 1.00 0.00 H new ATOM 0 HA LEU A 21 11.879 18.582 22.084 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.091 17.569 21.841 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.026 17.180 23.271 1.00 0.00 H new ATOM 0 HG LEU A 21 9.696 20.024 22.307 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.848 20.270 23.909 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.456 19.125 22.604 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.891 18.519 24.220 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.201 20.574 24.650 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.398 18.842 25.009 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.513 19.650 23.881 1.00 0.00 H new ATOM 341 N VAL A 22 11.164 15.497 21.195 1.00 0.00 N ATOM 342 CA VAL A 22 11.702 14.148 21.144 1.00 0.00 C ATOM 343 C VAL A 22 13.035 14.164 20.394 1.00 0.00 C ATOM 344 O VAL A 22 13.843 13.248 20.538 1.00 0.00 O ATOM 345 CB VAL A 22 10.677 13.199 20.521 1.00 0.00 C ATOM 346 CG1 VAL A 22 11.228 11.774 20.439 1.00 0.00 C ATOM 347 CG2 VAL A 22 9.357 13.232 21.296 1.00 0.00 C ATOM 0 H VAL A 22 10.198 15.583 20.880 1.00 0.00 H new ATOM 0 HA VAL A 22 11.899 13.777 22.150 1.00 0.00 H new ATOM 0 HB VAL A 22 10.478 13.541 19.505 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.479 11.120 19.992 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.129 11.767 19.825 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.469 11.419 21.441 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.646 12.549 20.832 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.533 12.928 22.328 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.951 14.244 21.280 1.00 0.00 H new ATOM 357 N LYS A 23 13.224 15.215 19.609 1.00 0.00 N ATOM 358 CA LYS A 23 14.445 15.362 18.836 1.00 0.00 C ATOM 359 C LYS A 23 15.601 15.709 19.777 1.00 0.00 C ATOM 360 O LYS A 23 16.593 14.985 19.841 1.00 0.00 O ATOM 361 CB LYS A 23 14.246 16.375 17.707 1.00 0.00 C ATOM 362 CG LYS A 23 13.404 15.779 16.578 1.00 0.00 C ATOM 363 CD LYS A 23 12.962 16.863 15.593 1.00 0.00 C ATOM 364 CE LYS A 23 13.180 16.413 14.147 1.00 0.00 C ATOM 365 NZ LYS A 23 12.849 17.507 13.208 1.00 0.00 N ATOM 0 H LYS A 23 12.551 15.973 19.492 1.00 0.00 H new ATOM 0 HA LYS A 23 14.702 14.422 18.348 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.758 17.268 18.097 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.215 16.686 17.317 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.981 15.018 16.052 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.528 15.283 16.996 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.909 17.095 15.750 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.521 17.780 15.781 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.217 16.107 14.008 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.560 15.542 13.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.003 17.185 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.853 17.780 13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.459 18.327 13.402 1.00 0.00 H new ATOM 379 N LYS A 24 15.433 16.816 20.485 1.00 0.00 N ATOM 380 CA LYS A 24 16.450 17.268 21.420 1.00 0.00 C ATOM 381 C LYS A 24 16.593 16.242 22.546 1.00 0.00 C ATOM 382 O LYS A 24 17.638 16.163 23.189 1.00 0.00 O ATOM 383 CB LYS A 24 16.135 18.682 21.912 1.00 0.00 C ATOM 384 CG LYS A 24 17.413 19.420 22.315 1.00 0.00 C ATOM 385 CD LYS A 24 17.325 19.923 23.757 1.00 0.00 C ATOM 386 CE LYS A 24 17.454 18.767 24.750 1.00 0.00 C ATOM 387 NZ LYS A 24 18.870 18.361 24.892 1.00 0.00 N ATOM 0 H LYS A 24 14.608 17.413 20.430 1.00 0.00 H new ATOM 0 HA LYS A 24 17.419 17.336 20.926 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.622 19.238 21.127 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.456 18.632 22.763 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.270 18.754 22.210 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.579 20.261 21.642 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.113 20.654 23.940 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.375 20.434 23.910 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.057 19.067 25.720 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.859 17.919 24.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.090 18.215 25.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.031 17.476 24.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.485 19.106 24.508 1.00 0.00 H new ATOM 401 N TYR A 25 15.527 15.482 22.750 1.00 0.00 N ATOM 402 CA TYR A 25 15.521 14.464 23.787 1.00 0.00 C ATOM 403 C TYR A 25 16.146 13.162 23.282 1.00 0.00 C ATOM 404 O TYR A 25 17.126 12.680 23.847 1.00 0.00 O ATOM 405 CB TYR A 25 14.049 14.213 24.122 1.00 0.00 C ATOM 406 CG TYR A 25 13.439 15.253 25.064 1.00 0.00 C ATOM 407 CD1 TYR A 25 13.795 16.582 24.949 1.00 0.00 C ATOM 408 CD2 TYR A 25 12.533 14.863 26.029 1.00 0.00 C ATOM 409 CE1 TYR A 25 13.221 17.560 25.835 1.00 0.00 C ATOM 410 CE2 TYR A 25 11.959 15.842 26.916 1.00 0.00 C ATOM 411 CZ TYR A 25 12.332 17.142 26.775 1.00 0.00 C ATOM 412 OH TYR A 25 11.789 18.066 27.613 1.00 0.00 O ATOM 0 H TYR A 25 14.661 15.551 22.215 1.00 0.00 H new ATOM 0 HA TYR A 25 16.097 14.794 24.652 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.474 14.195 23.196 1.00 0.00 H new ATOM 0 HB3 TYR A 25 13.953 13.227 24.576 1.00 0.00 H new ATOM 0 HD1 TYR A 25 14.504 16.888 24.194 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.254 13.824 26.119 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.490 18.603 25.755 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.249 15.550 27.676 1.00 0.00 H new ATOM 0 HH TYR A 25 11.171 17.624 28.231 1.00 0.00 H new ATOM 422 N GLY A 26 15.553 12.631 22.223 1.00 0.00 N ATOM 423 CA GLY A 26 16.039 11.394 21.635 1.00 0.00 C ATOM 424 C GLY A 26 16.675 10.495 22.697 1.00 0.00 C ATOM 425 O GLY A 26 17.822 10.706 23.089 1.00 0.00 O ATOM 0 H GLY A 26 14.740 13.035 21.757 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.215 10.867 21.154 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.770 11.619 20.858 1.00 0.00 H new ATOM 429 N THR A 27 15.903 9.511 23.133 1.00 0.00 N ATOM 430 CA THR A 27 16.376 8.579 24.143 1.00 0.00 C ATOM 431 C THR A 27 15.257 7.617 24.547 1.00 0.00 C ATOM 432 O THR A 27 15.354 6.413 24.311 1.00 0.00 O ATOM 433 CB THR A 27 16.931 9.392 25.314 1.00 0.00 C ATOM 434 OG1 THR A 27 16.905 8.483 26.411 1.00 0.00 O ATOM 435 CG2 THR A 27 15.989 10.520 25.742 1.00 0.00 C ATOM 0 H THR A 27 14.953 9.338 22.805 1.00 0.00 H new ATOM 0 HA THR A 27 17.178 7.950 23.756 1.00 0.00 H new ATOM 0 HB THR A 27 17.898 9.812 25.038 1.00 0.00 H new ATOM 0 HG1 THR A 27 17.250 8.928 27.213 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.430 11.066 26.576 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.833 11.201 24.905 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.032 10.098 26.050 1.00 0.00 H new ATOM 443 N LYS A 28 14.222 8.184 25.148 1.00 0.00 N ATOM 444 CA LYS A 28 13.086 7.391 25.587 1.00 0.00 C ATOM 445 C LYS A 28 12.220 8.228 26.532 1.00 0.00 C ATOM 446 O LYS A 28 11.736 7.725 27.545 1.00 0.00 O ATOM 447 CB LYS A 28 13.558 6.069 26.195 1.00 0.00 C ATOM 448 CG LYS A 28 13.361 4.912 25.212 1.00 0.00 C ATOM 449 CD LYS A 28 12.423 3.852 25.793 1.00 0.00 C ATOM 450 CE LYS A 28 10.975 4.345 25.797 1.00 0.00 C ATOM 451 NZ LYS A 28 10.597 4.832 27.143 1.00 0.00 N ATOM 0 H LYS A 28 14.146 9.183 25.341 1.00 0.00 H new ATOM 0 HA LYS A 28 12.460 7.119 24.737 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.611 6.145 26.467 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.006 5.869 27.113 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.951 5.291 24.276 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.325 4.461 24.978 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.497 2.935 25.208 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.730 3.607 26.810 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.855 5.146 25.067 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.309 3.537 25.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.568 4.746 27.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.081 4.263 27.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.876 5.829 27.242 1.00 0.00 H new ATOM 465 N GLN A 29 12.052 9.490 26.166 1.00 0.00 N ATOM 466 CA GLN A 29 11.253 10.401 26.968 1.00 0.00 C ATOM 467 C GLN A 29 9.926 10.701 26.268 1.00 0.00 C ATOM 468 O GLN A 29 9.814 11.683 25.536 1.00 0.00 O ATOM 469 CB GLN A 29 12.022 11.691 27.262 1.00 0.00 C ATOM 470 CG GLN A 29 12.823 11.568 28.559 1.00 0.00 C ATOM 471 CD GLN A 29 13.096 12.946 29.167 1.00 0.00 C ATOM 472 OE1 GLN A 29 12.258 13.540 29.824 1.00 0.00 O ATOM 473 NE2 GLN A 29 14.314 13.417 28.913 1.00 0.00 N ATOM 0 H GLN A 29 12.455 9.903 25.325 1.00 0.00 H new ATOM 0 HA GLN A 29 11.037 9.920 27.922 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.695 11.914 26.434 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.324 12.525 27.339 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.274 10.954 29.273 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.767 11.060 28.361 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.967 12.867 28.355 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.594 14.328 29.276 1.00 0.00 H new ATOM 482 N TRP A 30 8.954 9.836 26.517 1.00 0.00 N ATOM 483 CA TRP A 30 7.639 9.996 25.920 1.00 0.00 C ATOM 484 C TRP A 30 6.776 10.808 26.887 1.00 0.00 C ATOM 485 O TRP A 30 5.646 11.169 26.563 1.00 0.00 O ATOM 486 CB TRP A 30 7.027 8.638 25.569 1.00 0.00 C ATOM 487 CG TRP A 30 7.292 8.189 24.131 1.00 0.00 C ATOM 488 CD1 TRP A 30 8.104 7.210 23.708 1.00 0.00 C ATOM 489 CD2 TRP A 30 6.707 8.745 22.935 1.00 0.00 C ATOM 490 NE1 TRP A 30 8.085 7.095 22.333 1.00 0.00 N ATOM 491 CE2 TRP A 30 7.208 8.058 21.848 1.00 0.00 C ATOM 492 CE3 TRP A 30 5.784 9.794 22.776 1.00 0.00 C ATOM 493 CZ2 TRP A 30 6.846 8.344 20.526 1.00 0.00 C ATOM 494 CZ3 TRP A 30 5.432 10.067 21.449 1.00 0.00 C ATOM 495 CH2 TRP A 30 5.927 9.385 20.344 1.00 0.00 C ATOM 0 H TRP A 30 9.051 9.022 27.124 1.00 0.00 H new ATOM 0 HA TRP A 30 7.708 10.537 24.976 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.421 7.886 26.252 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.950 8.683 25.732 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.699 6.589 24.362 1.00 0.00 H new ATOM 0 HE1 TRP A 30 8.617 6.427 21.775 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.379 10.345 23.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.253 7.792 19.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 4.726 10.864 21.271 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.605 9.656 19.350 1.00 0.00 H new ATOM 506 N THR A 31 7.341 11.072 28.056 1.00 0.00 N ATOM 507 CA THR A 31 6.638 11.835 29.072 1.00 0.00 C ATOM 508 C THR A 31 6.371 13.260 28.581 1.00 0.00 C ATOM 509 O THR A 31 5.284 13.798 28.786 1.00 0.00 O ATOM 510 CB THR A 31 7.463 11.781 30.360 1.00 0.00 C ATOM 511 OG1 THR A 31 6.584 11.186 31.311 1.00 0.00 O ATOM 512 CG2 THR A 31 7.745 13.171 30.933 1.00 0.00 C ATOM 0 H THR A 31 8.278 10.771 28.322 1.00 0.00 H new ATOM 0 HA THR A 31 5.657 11.407 29.279 1.00 0.00 H new ATOM 0 HB THR A 31 8.406 11.270 30.166 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.040 11.111 32.175 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.333 13.076 31.846 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.301 13.760 30.203 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.802 13.669 31.159 1.00 0.00 H new ATOM 520 N LEU A 32 7.382 13.830 27.942 1.00 0.00 N ATOM 521 CA LEU A 32 7.270 15.181 27.419 1.00 0.00 C ATOM 522 C LEU A 32 5.998 15.294 26.577 1.00 0.00 C ATOM 523 O LEU A 32 5.221 16.233 26.744 1.00 0.00 O ATOM 524 CB LEU A 32 8.543 15.571 26.665 1.00 0.00 C ATOM 525 CG LEU A 32 8.578 15.214 25.178 1.00 0.00 C ATOM 526 CD1 LEU A 32 7.661 16.136 24.372 1.00 0.00 C ATOM 527 CD2 LEU A 32 10.012 15.224 24.645 1.00 0.00 C ATOM 0 H LEU A 32 8.282 13.381 27.775 1.00 0.00 H new ATOM 0 HA LEU A 32 7.178 15.898 28.235 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.684 16.647 26.763 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.392 15.092 27.153 1.00 0.00 H new ATOM 0 HG LEU A 32 8.198 14.199 25.061 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.704 15.861 23.318 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.637 16.036 24.732 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.988 17.169 24.491 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.008 14.967 23.586 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.442 16.217 24.776 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.609 14.495 25.193 1.00 0.00 H new ATOM 539 N ILE A 33 5.825 14.324 25.691 1.00 0.00 N ATOM 540 CA ILE A 33 4.660 14.303 24.823 1.00 0.00 C ATOM 541 C ILE A 33 3.392 14.375 25.676 1.00 0.00 C ATOM 542 O ILE A 33 2.438 15.064 25.320 1.00 0.00 O ATOM 543 CB ILE A 33 4.707 13.090 23.892 1.00 0.00 C ATOM 544 CG1 ILE A 33 5.890 13.186 22.926 1.00 0.00 C ATOM 545 CG2 ILE A 33 3.378 12.912 23.155 1.00 0.00 C ATOM 546 CD1 ILE A 33 7.119 12.470 23.490 1.00 0.00 C ATOM 0 H ILE A 33 6.472 13.547 25.556 1.00 0.00 H new ATOM 0 HA ILE A 33 4.656 15.176 24.171 1.00 0.00 H new ATOM 0 HB ILE A 33 4.859 12.198 24.500 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.617 12.746 21.967 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.128 14.233 22.740 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.439 12.043 22.500 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.577 12.765 23.880 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.170 13.801 22.560 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.945 12.554 22.784 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.404 12.928 24.437 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.885 11.418 23.651 1.00 0.00 H new ATOM 558 N ALA A 34 3.423 13.652 26.786 1.00 0.00 N ATOM 559 CA ALA A 34 2.287 13.625 27.693 1.00 0.00 C ATOM 560 C ALA A 34 2.479 14.689 28.775 1.00 0.00 C ATOM 561 O ALA A 34 1.749 14.712 29.765 1.00 0.00 O ATOM 562 CB ALA A 34 2.134 12.219 28.277 1.00 0.00 C ATOM 0 H ALA A 34 4.216 13.081 27.078 1.00 0.00 H new ATOM 0 HA ALA A 34 1.365 13.859 27.161 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.282 12.198 28.957 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.971 11.505 27.469 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.040 11.950 28.821 1.00 0.00 H new ATOM 568 N LYS A 35 3.466 15.544 28.551 1.00 0.00 N ATOM 569 CA LYS A 35 3.763 16.608 29.495 1.00 0.00 C ATOM 570 C LYS A 35 3.457 17.960 28.847 1.00 0.00 C ATOM 571 O LYS A 35 2.956 18.870 29.506 1.00 0.00 O ATOM 572 CB LYS A 35 5.199 16.484 30.009 1.00 0.00 C ATOM 573 CG LYS A 35 5.362 17.188 31.357 1.00 0.00 C ATOM 574 CD LYS A 35 6.216 18.450 31.216 1.00 0.00 C ATOM 575 CE LYS A 35 7.573 18.272 31.900 1.00 0.00 C ATOM 576 NZ LYS A 35 7.815 19.368 32.865 1.00 0.00 N ATOM 0 H LYS A 35 4.070 15.522 27.730 1.00 0.00 H new ATOM 0 HA LYS A 35 3.125 16.524 30.375 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.463 15.431 30.110 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.887 16.917 29.283 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.382 17.450 31.755 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.826 16.509 32.073 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.364 18.678 30.160 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.692 19.299 31.655 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.604 17.312 32.416 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.365 18.257 31.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.740 19.232 33.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.806 20.280 32.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.069 19.364 33.589 1.00 0.00 H new ATOM 590 N HIS A 36 3.771 18.049 27.562 1.00 0.00 N ATOM 591 CA HIS A 36 3.536 19.274 26.818 1.00 0.00 C ATOM 592 C HIS A 36 2.091 19.301 26.317 1.00 0.00 C ATOM 593 O HIS A 36 1.577 20.356 25.948 1.00 0.00 O ATOM 594 CB HIS A 36 4.557 19.428 25.689 1.00 0.00 C ATOM 595 CG HIS A 36 5.991 19.477 26.160 1.00 0.00 C ATOM 596 ND1 HIS A 36 6.901 20.412 25.698 1.00 0.00 N ATOM 597 CD2 HIS A 36 6.661 18.698 27.057 1.00 0.00 C ATOM 598 CE1 HIS A 36 8.063 20.195 26.296 1.00 0.00 C ATOM 599 NE2 HIS A 36 7.913 19.132 27.137 1.00 0.00 N ATOM 0 H HIS A 36 4.186 17.292 27.018 1.00 0.00 H new ATOM 0 HA HIS A 36 3.673 20.134 27.474 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.442 18.597 24.993 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.336 20.340 25.135 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.244 17.869 27.609 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.970 20.761 26.144 1.00 0.00 H new ATOM 0 HE2 HIS A 36 8.642 18.736 27.730 1.00 0.00 H new ATOM 607 N LEU A 37 1.475 18.128 26.321 1.00 0.00 N ATOM 608 CA LEU A 37 0.099 18.003 25.872 1.00 0.00 C ATOM 609 C LEU A 37 -0.624 16.967 26.735 1.00 0.00 C ATOM 610 O LEU A 37 -0.266 15.790 26.728 1.00 0.00 O ATOM 611 CB LEU A 37 0.049 17.698 24.374 1.00 0.00 C ATOM 612 CG LEU A 37 1.282 18.107 23.565 1.00 0.00 C ATOM 613 CD1 LEU A 37 1.388 17.289 22.276 1.00 0.00 C ATOM 614 CD2 LEU A 37 1.283 19.612 23.290 1.00 0.00 C ATOM 0 H LEU A 37 1.904 17.255 26.628 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.429 18.948 25.999 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.106 16.627 24.246 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.822 18.199 23.950 1.00 0.00 H new ATOM 0 HG LEU A 37 2.169 17.888 24.160 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.273 17.599 21.720 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.467 16.230 22.522 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.500 17.454 21.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.170 19.876 22.714 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.390 19.879 22.725 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.290 20.155 24.235 1.00 0.00 H new ATOM 626 N LYS A 38 -1.627 17.442 27.458 1.00 0.00 N ATOM 627 CA LYS A 38 -2.402 16.571 28.325 1.00 0.00 C ATOM 628 C LYS A 38 -3.877 16.639 27.922 1.00 0.00 C ATOM 629 O LYS A 38 -4.518 17.678 28.072 1.00 0.00 O ATOM 630 CB LYS A 38 -2.150 16.915 29.795 1.00 0.00 C ATOM 631 CG LYS A 38 -2.587 18.349 30.105 1.00 0.00 C ATOM 632 CD LYS A 38 -4.027 18.384 30.619 1.00 0.00 C ATOM 633 CE LYS A 38 -4.063 18.410 32.148 1.00 0.00 C ATOM 634 NZ LYS A 38 -4.886 17.295 32.667 1.00 0.00 N ATOM 0 H LYS A 38 -1.921 18.419 27.461 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.085 15.535 28.205 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.694 16.219 30.434 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.091 16.796 30.024 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.920 18.783 30.850 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.503 18.961 29.207 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.536 19.263 30.225 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.569 17.511 30.254 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.050 18.336 32.543 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.470 19.361 32.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.899 17.328 33.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.857 17.383 32.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.481 16.390 32.355 1.00 0.00 H new ATOM 648 N GLY A 39 -4.371 15.517 27.418 1.00 0.00 N ATOM 649 CA GLY A 39 -5.758 15.436 26.993 1.00 0.00 C ATOM 650 C GLY A 39 -6.040 14.106 26.291 1.00 0.00 C ATOM 651 O GLY A 39 -7.131 13.553 26.416 1.00 0.00 O ATOM 0 H GLY A 39 -3.836 14.658 27.295 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.414 15.541 27.857 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.984 16.262 26.319 1.00 0.00 H new ATOM 655 N ARG A 40 -5.036 13.631 25.568 1.00 0.00 N ATOM 656 CA ARG A 40 -5.162 12.376 24.847 1.00 0.00 C ATOM 657 C ARG A 40 -3.984 11.456 25.173 1.00 0.00 C ATOM 658 O ARG A 40 -3.323 10.943 24.271 1.00 0.00 O ATOM 659 CB ARG A 40 -5.212 12.612 23.336 1.00 0.00 C ATOM 660 CG ARG A 40 -5.423 11.297 22.583 1.00 0.00 C ATOM 661 CD ARG A 40 -6.709 11.340 21.755 1.00 0.00 C ATOM 662 NE ARG A 40 -6.383 11.305 20.311 1.00 0.00 N ATOM 663 CZ ARG A 40 -6.050 12.384 19.590 1.00 0.00 C ATOM 664 NH1 ARG A 40 -5.998 13.590 20.173 1.00 0.00 N ATOM 665 NH2 ARG A 40 -5.771 12.258 18.286 1.00 0.00 N ATOM 0 H ARG A 40 -4.132 14.093 25.466 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.093 11.905 25.161 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.020 13.305 23.099 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.284 13.079 23.006 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.572 11.107 21.929 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.470 10.471 23.293 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.346 10.494 22.013 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.271 12.245 21.988 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.414 10.403 19.836 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.212 13.686 21.166 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.744 14.411 19.624 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.812 11.341 17.842 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.517 13.079 17.737 1.00 0.00 H new ATOM 679 N LEU A 41 -3.757 11.274 26.466 1.00 0.00 N ATOM 680 CA LEU A 41 -2.670 10.424 26.923 1.00 0.00 C ATOM 681 C LEU A 41 -1.442 10.655 26.039 1.00 0.00 C ATOM 682 O LEU A 41 -1.395 11.617 25.275 1.00 0.00 O ATOM 683 CB LEU A 41 -3.120 8.963 26.981 1.00 0.00 C ATOM 684 CG LEU A 41 -3.692 8.491 28.319 1.00 0.00 C ATOM 685 CD1 LEU A 41 -2.575 8.221 29.329 1.00 0.00 C ATOM 686 CD2 LEU A 41 -4.723 9.485 28.857 1.00 0.00 C ATOM 0 H LEU A 41 -4.307 11.701 27.211 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.384 10.686 27.942 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.874 8.805 26.210 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.269 8.331 26.729 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.211 7.547 28.153 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.009 7.887 30.271 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.912 7.448 28.941 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.006 9.136 29.496 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.113 9.125 29.809 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.250 10.456 29.003 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.541 9.583 28.143 1.00 0.00 H new ATOM 698 N GLY A 42 -0.479 9.755 26.173 1.00 0.00 N ATOM 699 CA GLY A 42 0.745 9.848 25.397 1.00 0.00 C ATOM 700 C GLY A 42 1.035 8.533 24.670 1.00 0.00 C ATOM 701 O GLY A 42 2.165 8.046 24.687 1.00 0.00 O ATOM 0 H GLY A 42 -0.522 8.958 26.808 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.659 10.657 24.672 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.579 10.096 26.054 1.00 0.00 H new ATOM 705 N LYS A 43 -0.005 7.995 24.050 1.00 0.00 N ATOM 706 CA LYS A 43 0.124 6.745 23.319 1.00 0.00 C ATOM 707 C LYS A 43 0.088 7.032 21.817 1.00 0.00 C ATOM 708 O LYS A 43 1.099 6.893 21.130 1.00 0.00 O ATOM 709 CB LYS A 43 -0.937 5.744 23.779 1.00 0.00 C ATOM 710 CG LYS A 43 -0.409 4.310 23.698 1.00 0.00 C ATOM 711 CD LYS A 43 0.393 3.949 24.950 1.00 0.00 C ATOM 712 CE LYS A 43 0.189 2.480 25.327 1.00 0.00 C ATOM 713 NZ LYS A 43 -0.109 2.353 26.771 1.00 0.00 N ATOM 0 H LYS A 43 -0.940 8.401 24.039 1.00 0.00 H new ATOM 0 HA LYS A 43 1.085 6.276 23.532 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.234 5.969 24.803 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.828 5.843 23.159 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.243 3.618 23.584 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.220 4.200 22.815 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.452 4.140 24.775 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.087 4.587 25.779 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.629 2.058 24.742 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.084 1.908 25.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.245 1.350 27.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.684 2.737 27.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.976 2.883 26.995 1.00 0.00 H new ATOM 727 N GLN A 44 -1.087 7.428 21.350 1.00 0.00 N ATOM 728 CA GLN A 44 -1.268 7.736 19.942 1.00 0.00 C ATOM 729 C GLN A 44 -0.464 8.981 19.563 1.00 0.00 C ATOM 730 O GLN A 44 -1.008 10.083 19.510 1.00 0.00 O ATOM 731 CB GLN A 44 -2.750 7.917 19.606 1.00 0.00 C ATOM 732 CG GLN A 44 -3.455 6.564 19.491 1.00 0.00 C ATOM 733 CD GLN A 44 -4.110 6.173 20.818 1.00 0.00 C ATOM 734 OE1 GLN A 44 -3.476 5.657 21.724 1.00 0.00 O ATOM 735 NE2 GLN A 44 -5.410 6.446 20.881 1.00 0.00 N ATOM 0 H GLN A 44 -1.923 7.543 21.922 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.897 6.895 19.356 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.231 8.517 20.378 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.850 8.464 18.669 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.211 6.609 18.707 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.736 5.799 19.197 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.879 6.879 20.086 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.938 6.222 21.725 1.00 0.00 H new ATOM 744 N CYS A 45 0.818 8.764 19.310 1.00 0.00 N ATOM 745 CA CYS A 45 1.703 9.855 18.938 1.00 0.00 C ATOM 746 C CYS A 45 2.836 9.285 18.083 1.00 0.00 C ATOM 747 O CYS A 45 3.162 9.834 17.032 1.00 0.00 O ATOM 748 CB CYS A 45 2.233 10.598 20.166 1.00 0.00 C ATOM 749 SG CYS A 45 2.870 12.242 19.676 1.00 0.00 S ATOM 0 H CYS A 45 1.265 7.849 19.355 1.00 0.00 H new ATOM 0 HA CYS A 45 1.149 10.594 18.359 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.438 10.712 20.903 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.026 10.018 20.638 1.00 0.00 H new ATOM 0 HG CYS A 45 2.533 13.122 20.571 1.00 0.00 H new ATOM 755 N ARG A 46 3.405 8.190 18.566 1.00 0.00 N ATOM 756 CA ARG A 46 4.495 7.539 17.859 1.00 0.00 C ATOM 757 C ARG A 46 4.276 7.629 16.348 1.00 0.00 C ATOM 758 O ARG A 46 5.234 7.727 15.583 1.00 0.00 O ATOM 759 CB ARG A 46 4.614 6.068 18.264 1.00 0.00 C ATOM 760 CG ARG A 46 5.253 5.930 19.648 1.00 0.00 C ATOM 761 CD ARG A 46 4.895 4.586 20.285 1.00 0.00 C ATOM 762 NE ARG A 46 5.734 4.355 21.482 1.00 0.00 N ATOM 763 CZ ARG A 46 5.513 3.383 22.378 1.00 0.00 C ATOM 764 NH1 ARG A 46 4.478 2.546 22.217 1.00 0.00 N ATOM 765 NH2 ARG A 46 6.326 3.248 23.435 1.00 0.00 N ATOM 0 H ARG A 46 3.132 7.737 19.438 1.00 0.00 H new ATOM 0 HA ARG A 46 5.418 8.053 18.127 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.626 5.607 18.268 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.213 5.532 17.528 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.336 6.019 19.563 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.916 6.743 20.291 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.841 4.574 20.562 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.044 3.781 19.565 1.00 0.00 H new ATOM 0 HE ARG A 46 6.530 4.974 21.635 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.859 2.649 21.413 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.310 1.806 22.899 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.113 3.885 23.558 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.158 2.508 24.117 1.00 0.00 H new ATOM 779 N GLU A 47 3.009 7.592 15.962 1.00 0.00 N ATOM 780 CA GLU A 47 2.652 7.667 14.556 1.00 0.00 C ATOM 781 C GLU A 47 2.998 9.048 13.994 1.00 0.00 C ATOM 782 O GLU A 47 2.128 9.910 13.877 1.00 0.00 O ATOM 783 CB GLU A 47 1.171 7.346 14.348 1.00 0.00 C ATOM 784 CG GLU A 47 0.645 7.988 13.062 1.00 0.00 C ATOM 785 CD GLU A 47 -0.293 9.155 13.376 1.00 0.00 C ATOM 786 OE1 GLU A 47 -0.942 9.090 14.442 1.00 0.00 O ATOM 787 OE2 GLU A 47 -0.340 10.085 12.542 1.00 0.00 O ATOM 0 H GLU A 47 2.217 7.511 16.599 1.00 0.00 H new ATOM 0 HA GLU A 47 3.231 6.919 14.014 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.032 6.266 14.302 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.594 7.705 15.200 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.482 8.341 12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.117 7.242 12.468 1.00 0.00 H new ATOM 794 N ARG A 48 4.269 9.214 13.661 1.00 0.00 N ATOM 795 CA ARG A 48 4.741 10.475 13.114 1.00 0.00 C ATOM 796 C ARG A 48 6.003 10.253 12.279 1.00 0.00 C ATOM 797 O ARG A 48 6.057 10.640 11.113 1.00 0.00 O ATOM 798 CB ARG A 48 5.044 11.480 14.228 1.00 0.00 C ATOM 799 CG ARG A 48 4.300 12.796 13.997 1.00 0.00 C ATOM 800 CD ARG A 48 4.829 13.514 12.753 1.00 0.00 C ATOM 801 NE ARG A 48 3.888 14.581 12.345 1.00 0.00 N ATOM 802 CZ ARG A 48 4.118 15.445 11.347 1.00 0.00 C ATOM 803 NH1 ARG A 48 5.260 15.373 10.649 1.00 0.00 N ATOM 804 NH2 ARG A 48 3.207 16.381 11.048 1.00 0.00 N ATOM 0 H ARG A 48 4.987 8.496 13.759 1.00 0.00 H new ATOM 0 HA ARG A 48 3.950 10.878 12.482 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.755 11.059 15.191 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.117 11.668 14.271 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.234 12.600 13.882 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.414 13.440 14.869 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.810 13.942 12.960 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.958 12.801 11.939 1.00 0.00 H new ATOM 0 HE ARG A 48 3.009 14.664 12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.953 14.661 10.878 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.436 16.030 9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.339 16.436 11.580 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.382 17.039 10.288 1.00 0.00 H new ATOM 818 N TRP A 49 6.989 9.631 12.910 1.00 0.00 N ATOM 819 CA TRP A 49 8.248 9.352 12.240 1.00 0.00 C ATOM 820 C TRP A 49 8.453 7.836 12.229 1.00 0.00 C ATOM 821 O TRP A 49 9.266 7.321 11.463 1.00 0.00 O ATOM 822 CB TRP A 49 9.401 10.107 12.904 1.00 0.00 C ATOM 823 CG TRP A 49 9.202 10.356 14.400 1.00 0.00 C ATOM 824 CD1 TRP A 49 8.643 9.541 15.305 1.00 0.00 C ATOM 825 CD2 TRP A 49 9.585 11.539 15.134 1.00 0.00 C ATOM 826 NE1 TRP A 49 8.638 10.109 16.563 1.00 0.00 N ATOM 827 CE2 TRP A 49 9.229 11.363 16.455 1.00 0.00 C ATOM 828 CE3 TRP A 49 10.212 12.718 14.695 1.00 0.00 C ATOM 829 CZ2 TRP A 49 9.459 12.325 17.446 1.00 0.00 C ATOM 830 CZ3 TRP A 49 10.435 13.670 15.697 1.00 0.00 C ATOM 831 CH2 TRP A 49 10.082 13.508 17.031 1.00 0.00 C ATOM 0 H TRP A 49 6.941 9.313 13.878 1.00 0.00 H new ATOM 0 HA TRP A 49 8.223 9.706 11.210 1.00 0.00 H new ATOM 0 HB2 TRP A 49 10.322 9.543 12.759 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.532 11.065 12.401 1.00 0.00 H new ATOM 0 HD1 TRP A 49 8.246 8.562 15.078 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.269 9.687 17.415 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.499 12.877 13.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 9.171 12.163 18.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 10.915 14.595 15.413 1.00 0.00 H new ATOM 0 HH2 TRP A 49 10.287 14.292 17.745 1.00 0.00 H new ATOM 842 N HIS A 50 7.701 7.164 13.089 1.00 0.00 N ATOM 843 CA HIS A 50 7.790 5.717 13.188 1.00 0.00 C ATOM 844 C HIS A 50 7.217 5.079 11.921 1.00 0.00 C ATOM 845 O HIS A 50 7.784 4.125 11.391 1.00 0.00 O ATOM 846 CB HIS A 50 7.110 5.217 14.464 1.00 0.00 C ATOM 847 CG HIS A 50 8.044 4.525 15.428 1.00 0.00 C ATOM 848 ND1 HIS A 50 9.042 3.661 15.014 1.00 0.00 N ATOM 849 CD2 HIS A 50 8.120 4.579 16.789 1.00 0.00 C ATOM 850 CE1 HIS A 50 9.685 3.220 16.086 1.00 0.00 C ATOM 851 NE2 HIS A 50 9.111 3.790 17.185 1.00 0.00 N ATOM 0 H HIS A 50 7.028 7.595 13.723 1.00 0.00 H new ATOM 0 HA HIS A 50 8.836 5.418 13.262 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.644 6.062 14.970 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.311 4.528 14.191 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.482 5.164 17.435 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.517 2.531 16.089 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.397 3.635 18.152 1.00 0.00 H new ATOM 859 N ASN A 51 6.100 5.633 11.472 1.00 0.00 N ATOM 860 CA ASN A 51 5.443 5.130 10.278 1.00 0.00 C ATOM 861 C ASN A 51 6.050 5.804 9.046 1.00 0.00 C ATOM 862 O ASN A 51 6.346 5.141 8.053 1.00 0.00 O ATOM 863 CB ASN A 51 3.946 5.443 10.299 1.00 0.00 C ATOM 864 CG ASN A 51 3.478 5.787 11.714 1.00 0.00 C ATOM 865 OD1 ASN A 51 2.732 6.727 11.938 1.00 0.00 O ATOM 866 ND2 ASN A 51 3.955 4.976 12.654 1.00 0.00 N ATOM 0 H ASN A 51 5.634 6.425 11.914 1.00 0.00 H new ATOM 0 HA ASN A 51 5.584 4.050 10.245 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.736 6.277 9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.386 4.586 9.925 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.700 5.122 13.631 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.575 4.208 12.398 1.00 0.00 H new ATOM 873 N HIS A 52 6.217 7.114 9.150 1.00 0.00 N ATOM 874 CA HIS A 52 6.783 7.886 8.056 1.00 0.00 C ATOM 875 C HIS A 52 8.111 7.262 7.621 1.00 0.00 C ATOM 876 O HIS A 52 8.201 6.673 6.545 1.00 0.00 O ATOM 877 CB HIS A 52 6.920 9.360 8.445 1.00 0.00 C ATOM 878 CG HIS A 52 5.601 10.066 8.646 1.00 0.00 C ATOM 879 ND1 HIS A 52 4.489 9.698 9.345 1.00 0.00 N flip ATOM 880 CD2 HIS A 52 5.320 11.303 8.090 1.00 0.00 C flip ATOM 881 CE1 HIS A 52 3.580 10.657 9.224 1.00 0.00 C flip ATOM 882 NE2 HIS A 52 4.093 11.653 8.447 1.00 0.00 N flip ATOM 0 H HIS A 52 5.970 7.661 9.975 1.00 0.00 H new ATOM 0 HA HIS A 52 6.110 7.857 7.199 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.502 9.430 9.364 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.484 9.879 7.670 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.988 11.884 7.471 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.596 10.650 9.668 1.00 0.00 H new ATOM 0 HE2 HIS A 52 3.616 12.516 8.186 1.00 0.00 H new ATOM 890 N LEU A 53 9.108 7.412 8.481 1.00 0.00 N ATOM 891 CA LEU A 53 10.427 6.871 8.199 1.00 0.00 C ATOM 892 C LEU A 53 10.299 5.389 7.841 1.00 0.00 C ATOM 893 O LEU A 53 10.225 4.537 8.725 1.00 0.00 O ATOM 894 CB LEU A 53 11.378 7.142 9.366 1.00 0.00 C ATOM 895 CG LEU A 53 11.402 6.084 10.471 1.00 0.00 C ATOM 896 CD1 LEU A 53 12.343 4.933 10.107 1.00 0.00 C ATOM 897 CD2 LEU A 53 11.757 6.709 11.822 1.00 0.00 C ATOM 0 H LEU A 53 9.029 7.900 9.373 1.00 0.00 H new ATOM 0 HA LEU A 53 10.868 7.371 7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.388 7.247 8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.110 8.099 9.813 1.00 0.00 H new ATOM 0 HG LEU A 53 10.400 5.665 10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.342 4.195 10.909 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.005 4.465 9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.353 5.318 9.970 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.767 5.935 12.590 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.742 7.172 11.761 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.015 7.465 12.079 1.00 0.00 H new ATOM 909 N ASN A 54 10.277 5.126 6.543 1.00 0.00 N ATOM 910 CA ASN A 54 10.160 3.762 6.057 1.00 0.00 C ATOM 911 C ASN A 54 10.857 3.646 4.700 1.00 0.00 C ATOM 912 O ASN A 54 10.748 4.542 3.864 1.00 0.00 O ATOM 913 CB ASN A 54 8.694 3.368 5.870 1.00 0.00 C ATOM 914 CG ASN A 54 8.570 1.909 5.425 1.00 0.00 C ATOM 915 OD1 ASN A 54 8.662 0.983 6.214 1.00 0.00 O ATOM 916 ND2 ASN A 54 8.357 1.758 4.121 1.00 0.00 N ATOM 0 H ASN A 54 10.338 5.835 5.812 1.00 0.00 H new ATOM 0 HA ASN A 54 10.620 3.102 6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.153 3.514 6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.231 4.019 5.128 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.260 0.823 3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.291 2.577 3.517 1.00 0.00 H new ATOM 923 N PRO A 55 11.576 2.506 4.518 1.00 0.00 N ATOM 924 CA PRO A 55 12.290 2.262 3.276 1.00 0.00 C ATOM 925 C PRO A 55 11.325 1.873 2.155 1.00 0.00 C ATOM 926 O PRO A 55 10.812 2.737 1.445 1.00 0.00 O ATOM 927 CB PRO A 55 13.290 1.166 3.607 1.00 0.00 C ATOM 928 CG PRO A 55 12.786 0.514 4.885 1.00 0.00 C ATOM 929 CD PRO A 55 11.727 1.424 5.486 1.00 0.00 C ATOM 0 HA PRO A 55 12.801 3.150 2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.355 0.439 2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 55 14.289 1.578 3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.368 -0.470 4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 55 13.606 0.367 5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.787 0.893 5.636 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.037 1.804 6.459 1.00 0.00 H new ATOM 937 N GLU A 56 11.106 0.572 2.032 1.00 0.00 N ATOM 938 CA GLU A 56 10.210 0.058 1.009 1.00 0.00 C ATOM 939 C GLU A 56 10.666 0.520 -0.377 1.00 0.00 C ATOM 940 O GLU A 56 11.406 1.496 -0.497 1.00 0.00 O ATOM 941 CB GLU A 56 8.766 0.483 1.281 1.00 0.00 C ATOM 942 CG GLU A 56 7.915 0.376 0.014 1.00 0.00 C ATOM 943 CD GLU A 56 6.473 0.811 0.283 1.00 0.00 C ATOM 944 OE1 GLU A 56 5.792 0.082 1.036 1.00 0.00 O ATOM 945 OE2 GLU A 56 6.085 1.863 -0.270 1.00 0.00 O ATOM 0 H GLU A 56 11.533 -0.141 2.623 1.00 0.00 H new ATOM 0 HA GLU A 56 10.245 -1.031 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.340 -0.145 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.748 1.509 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.346 0.998 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.927 -0.651 -0.350 1.00 0.00 H new ATOM 952 N VAL A 57 10.205 -0.201 -1.387 1.00 0.00 N ATOM 953 CA VAL A 57 10.556 0.122 -2.760 1.00 0.00 C ATOM 954 C VAL A 57 9.498 1.060 -3.344 1.00 0.00 C ATOM 955 O VAL A 57 9.464 2.245 -3.017 1.00 0.00 O ATOM 956 CB VAL A 57 10.731 -1.162 -3.572 1.00 0.00 C ATOM 957 CG1 VAL A 57 11.062 -0.846 -5.032 1.00 0.00 C ATOM 958 CG2 VAL A 57 11.800 -2.063 -2.950 1.00 0.00 C ATOM 0 H VAL A 57 9.591 -1.009 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 57 11.511 0.646 -2.797 1.00 0.00 H new ATOM 0 HB VAL A 57 9.785 -1.703 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.181 -1.776 -5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.252 -0.263 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.988 -0.274 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.904 -2.969 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.752 -1.533 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.506 -2.329 -1.935 1.00 0.00 H new ATOM 968 N LYS A 58 8.659 0.494 -4.200 1.00 0.00 N ATOM 969 CA LYS A 58 7.603 1.264 -4.833 1.00 0.00 C ATOM 970 C LYS A 58 8.204 2.521 -5.467 1.00 0.00 C ATOM 971 O LYS A 58 9.423 2.644 -5.574 1.00 0.00 O ATOM 972 CB LYS A 58 6.480 1.556 -3.836 1.00 0.00 C ATOM 973 CG LYS A 58 5.353 0.530 -3.963 1.00 0.00 C ATOM 974 CD LYS A 58 3.983 1.203 -3.856 1.00 0.00 C ATOM 975 CE LYS A 58 3.126 0.903 -5.087 1.00 0.00 C ATOM 976 NZ LYS A 58 2.479 2.138 -5.583 1.00 0.00 N ATOM 0 H LYS A 58 8.690 -0.489 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 58 7.143 0.689 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.877 1.541 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.086 2.557 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.434 0.012 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.453 -0.224 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.472 0.854 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.111 2.280 -3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.746 0.470 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.366 0.163 -4.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.901 1.916 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.872 2.535 -4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.209 2.832 -5.841 1.00 0.00 H new ATOM 990 N LYS A 59 7.320 3.421 -5.872 1.00 0.00 N ATOM 991 CA LYS A 59 7.748 4.663 -6.492 1.00 0.00 C ATOM 992 C LYS A 59 8.794 4.358 -7.567 1.00 0.00 C ATOM 993 O LYS A 59 9.009 3.198 -7.916 1.00 0.00 O ATOM 994 CB LYS A 59 8.228 5.655 -5.431 1.00 0.00 C ATOM 995 CG LYS A 59 7.387 6.933 -5.454 1.00 0.00 C ATOM 996 CD LYS A 59 5.989 6.680 -4.886 1.00 0.00 C ATOM 997 CE LYS A 59 4.909 7.020 -5.915 1.00 0.00 C ATOM 998 NZ LYS A 59 3.735 6.135 -5.746 1.00 0.00 N ATOM 0 H LYS A 59 6.309 3.315 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 59 6.909 5.148 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.169 5.195 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.275 5.901 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.884 7.710 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.307 7.301 -6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.897 5.635 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.843 7.281 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.606 8.061 -5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.311 6.912 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.012 6.379 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.025 5.145 -5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.342 6.258 -4.791 1.00 0.00 H new ATOM 1012 N SER A 60 9.416 5.419 -8.060 1.00 0.00 N ATOM 1013 CA SER A 60 10.434 5.278 -9.087 1.00 0.00 C ATOM 1014 C SER A 60 11.376 4.126 -8.736 1.00 0.00 C ATOM 1015 O SER A 60 11.497 3.751 -7.571 1.00 0.00 O ATOM 1016 CB SER A 60 11.224 6.577 -9.260 1.00 0.00 C ATOM 1017 OG SER A 60 11.050 7.140 -10.557 1.00 0.00 O ATOM 0 H SER A 60 9.235 6.379 -7.767 1.00 0.00 H new ATOM 0 HA SER A 60 9.938 5.057 -10.032 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.906 7.298 -8.507 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.283 6.383 -9.088 1.00 0.00 H new ATOM 0 HG SER A 60 11.569 7.968 -10.626 1.00 0.00 H new ATOM 1023 N SER A 61 12.020 3.595 -9.765 1.00 0.00 N ATOM 1024 CA SER A 61 12.949 2.493 -9.580 1.00 0.00 C ATOM 1025 C SER A 61 12.190 1.165 -9.578 1.00 0.00 C ATOM 1026 O SER A 61 11.090 1.073 -10.122 1.00 0.00 O ATOM 1027 CB SER A 61 13.741 2.653 -8.281 1.00 0.00 C ATOM 1028 OG SER A 61 14.017 4.020 -7.989 1.00 0.00 O ATOM 0 H SER A 61 11.917 3.908 -10.730 1.00 0.00 H new ATOM 0 HA SER A 61 13.657 2.499 -10.409 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.179 2.213 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.678 2.102 -8.358 1.00 0.00 H new ATOM 0 HG SER A 61 13.344 4.363 -7.365 1.00 0.00 H new ATOM 1034 N TRP A 62 12.806 0.168 -8.960 1.00 0.00 N ATOM 1035 CA TRP A 62 12.203 -1.151 -8.881 1.00 0.00 C ATOM 1036 C TRP A 62 10.912 -1.032 -8.067 1.00 0.00 C ATOM 1037 O TRP A 62 10.590 0.042 -7.561 1.00 0.00 O ATOM 1038 CB TRP A 62 13.185 -2.169 -8.298 1.00 0.00 C ATOM 1039 CG TRP A 62 14.507 -2.267 -9.062 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.653 -1.618 -8.815 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.774 -3.092 -10.216 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.635 -1.962 -9.721 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.084 -2.888 -10.600 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.937 -3.982 -10.912 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.673 -3.537 -11.691 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.541 -4.622 -12.000 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.858 -4.428 -12.400 1.00 0.00 C ATOM 0 H TRP A 62 13.717 0.248 -8.509 1.00 0.00 H new ATOM 0 HA TRP A 62 11.955 -1.522 -9.875 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.395 -1.904 -7.262 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.711 -3.150 -8.286 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.791 -0.914 -8.008 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.590 -1.603 -9.742 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.910 -4.158 -10.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.701 -3.360 -11.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.941 -5.316 -12.570 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.251 -4.962 -13.253 1.00 0.00 H new ATOM 1058 N THR A 63 10.209 -2.150 -7.967 1.00 0.00 N ATOM 1059 CA THR A 63 8.961 -2.185 -7.223 1.00 0.00 C ATOM 1060 C THR A 63 8.937 -3.386 -6.276 1.00 0.00 C ATOM 1061 O THR A 63 9.969 -4.009 -6.033 1.00 0.00 O ATOM 1062 CB THR A 63 7.810 -2.184 -8.231 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.384 -2.732 -9.415 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.390 -0.771 -8.641 1.00 0.00 C ATOM 0 H THR A 63 10.479 -3.039 -8.389 1.00 0.00 H new ATOM 0 HA THR A 63 8.856 -1.307 -6.586 1.00 0.00 H new ATOM 0 HB THR A 63 6.955 -2.707 -7.804 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.049 -2.245 -10.197 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.570 -0.828 -9.357 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.064 -0.218 -7.760 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.236 -0.258 -9.098 1.00 0.00 H new ATOM 1072 N GLU A 64 7.749 -3.674 -5.766 1.00 0.00 N ATOM 1073 CA GLU A 64 7.578 -4.789 -4.850 1.00 0.00 C ATOM 1074 C GLU A 64 7.614 -6.114 -5.614 1.00 0.00 C ATOM 1075 O GLU A 64 8.627 -6.813 -5.604 1.00 0.00 O ATOM 1076 CB GLU A 64 6.278 -4.650 -4.055 1.00 0.00 C ATOM 1077 CG GLU A 64 6.500 -3.834 -2.780 1.00 0.00 C ATOM 1078 CD GLU A 64 6.564 -4.742 -1.551 1.00 0.00 C ATOM 1079 OE1 GLU A 64 7.684 -5.208 -1.247 1.00 0.00 O ATOM 1080 OE2 GLU A 64 5.492 -4.950 -0.942 1.00 0.00 O ATOM 0 H GLU A 64 6.895 -3.155 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 64 8.404 -4.780 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.520 -4.168 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.898 -5.638 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.426 -3.265 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.692 -3.112 -2.661 1.00 0.00 H new ATOM 1087 N GLU A 65 6.498 -6.420 -6.259 1.00 0.00 N ATOM 1088 CA GLU A 65 6.390 -7.648 -7.027 1.00 0.00 C ATOM 1089 C GLU A 65 7.617 -7.824 -7.923 1.00 0.00 C ATOM 1090 O GLU A 65 8.039 -8.948 -8.191 1.00 0.00 O ATOM 1091 CB GLU A 65 5.101 -7.668 -7.851 1.00 0.00 C ATOM 1092 CG GLU A 65 3.869 -7.648 -6.944 1.00 0.00 C ATOM 1093 CD GLU A 65 2.767 -8.554 -7.496 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.206 -8.187 -8.551 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.510 -9.593 -6.851 1.00 0.00 O ATOM 0 H GLU A 65 5.660 -5.838 -6.265 1.00 0.00 H new ATOM 0 HA GLU A 65 6.350 -8.486 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.079 -6.807 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.080 -8.559 -8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.146 -7.975 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.495 -6.628 -6.855 1.00 0.00 H new ATOM 1102 N GLU A 66 8.156 -6.696 -8.362 1.00 0.00 N ATOM 1103 CA GLU A 66 9.326 -6.710 -9.223 1.00 0.00 C ATOM 1104 C GLU A 66 10.544 -7.226 -8.454 1.00 0.00 C ATOM 1105 O GLU A 66 11.419 -7.871 -9.030 1.00 0.00 O ATOM 1106 CB GLU A 66 9.595 -5.322 -9.808 1.00 0.00 C ATOM 1107 CG GLU A 66 8.634 -5.017 -10.959 1.00 0.00 C ATOM 1108 CD GLU A 66 9.323 -4.183 -12.041 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.476 -4.529 -12.376 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.680 -3.219 -12.509 1.00 0.00 O ATOM 0 H GLU A 66 7.803 -5.766 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 66 9.132 -7.387 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.486 -4.568 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.624 -5.266 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.270 -5.949 -11.390 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.765 -4.480 -10.579 1.00 0.00 H new ATOM 1117 N ASP A 67 10.562 -6.923 -7.165 1.00 0.00 N ATOM 1118 CA ASP A 67 11.658 -7.347 -6.311 1.00 0.00 C ATOM 1119 C ASP A 67 11.628 -8.871 -6.169 1.00 0.00 C ATOM 1120 O ASP A 67 12.620 -9.543 -6.444 1.00 0.00 O ATOM 1121 CB ASP A 67 11.534 -6.740 -4.912 1.00 0.00 C ATOM 1122 CG ASP A 67 12.863 -6.481 -4.200 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.763 -7.335 -4.349 1.00 0.00 O ATOM 1124 OD2 ASP A 67 12.949 -5.434 -3.522 1.00 0.00 O ATOM 0 H ASP A 67 9.834 -6.388 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 67 12.590 -7.013 -6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.990 -5.798 -4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.932 -7.407 -4.295 1.00 0.00 H new ATOM 1129 N ARG A 68 10.478 -9.370 -5.740 1.00 0.00 N ATOM 1130 CA ARG A 68 10.305 -10.801 -5.558 1.00 0.00 C ATOM 1131 C ARG A 68 10.647 -11.545 -6.851 1.00 0.00 C ATOM 1132 O ARG A 68 11.553 -12.377 -6.871 1.00 0.00 O ATOM 1133 CB ARG A 68 8.868 -11.135 -5.150 1.00 0.00 C ATOM 1134 CG ARG A 68 8.499 -10.451 -3.833 1.00 0.00 C ATOM 1135 CD ARG A 68 8.917 -11.306 -2.635 1.00 0.00 C ATOM 1136 NE ARG A 68 8.256 -12.629 -2.703 1.00 0.00 N ATOM 1137 CZ ARG A 68 8.399 -13.588 -1.778 1.00 0.00 C ATOM 1138 NH1 ARG A 68 9.181 -13.378 -0.710 1.00 0.00 N ATOM 1139 NH2 ARG A 68 7.761 -14.758 -1.922 1.00 0.00 N ATOM 0 H ARG A 68 9.657 -8.809 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 68 10.979 -11.118 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.180 -10.817 -5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.757 -12.214 -5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.985 -9.477 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.424 -10.273 -3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.000 -11.431 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.647 -10.803 -1.707 1.00 0.00 H new ATOM 0 HE ARG A 68 7.654 -12.823 -3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.667 -12.488 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.290 -14.108 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.167 -14.918 -2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.870 -15.488 -1.218 1.00 0.00 H new ATOM 1153 N ILE A 69 9.903 -11.220 -7.898 1.00 0.00 N ATOM 1154 CA ILE A 69 10.116 -11.847 -9.191 1.00 0.00 C ATOM 1155 C ILE A 69 11.616 -12.056 -9.411 1.00 0.00 C ATOM 1156 O ILE A 69 12.055 -13.167 -9.703 1.00 0.00 O ATOM 1157 CB ILE A 69 9.439 -11.037 -10.298 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.920 -11.025 -10.118 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.849 -11.548 -11.681 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.280 -9.896 -10.929 1.00 0.00 C ATOM 0 H ILE A 69 9.152 -10.530 -7.877 1.00 0.00 H new ATOM 0 HA ILE A 69 9.649 -12.832 -9.218 1.00 0.00 H new ATOM 0 HB ILE A 69 9.780 -10.004 -10.223 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.506 -11.983 -10.432 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.676 -10.903 -9.063 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.354 -10.955 -12.450 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.929 -11.461 -11.796 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.556 -12.593 -11.784 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.200 -9.910 -10.783 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.679 -8.938 -10.596 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.505 -10.035 -11.986 1.00 0.00 H new ATOM 1172 N ILE A 70 12.360 -10.970 -9.261 1.00 0.00 N ATOM 1173 CA ILE A 70 13.801 -11.020 -9.440 1.00 0.00 C ATOM 1174 C ILE A 70 14.380 -12.134 -8.566 1.00 0.00 C ATOM 1175 O ILE A 70 14.829 -13.159 -9.076 1.00 0.00 O ATOM 1176 CB ILE A 70 14.421 -9.647 -9.178 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.750 -8.569 -10.031 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.937 -9.681 -9.386 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.624 -8.196 -11.230 1.00 0.00 C ATOM 0 H ILE A 70 11.992 -10.050 -9.018 1.00 0.00 H new ATOM 0 HA ILE A 70 14.049 -11.264 -10.473 1.00 0.00 H new ATOM 0 HB ILE A 70 14.244 -9.387 -8.134 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.781 -8.927 -10.380 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.563 -7.684 -9.423 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.353 -8.692 -9.193 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.382 -10.402 -8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.157 -9.973 -10.413 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.124 -7.428 -11.820 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.583 -7.816 -10.877 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.789 -9.078 -11.848 1.00 0.00 H new ATOM 1191 N PHE A 71 14.352 -11.895 -7.263 1.00 0.00 N ATOM 1192 CA PHE A 71 14.869 -12.865 -6.312 1.00 0.00 C ATOM 1193 C PHE A 71 14.363 -14.273 -6.636 1.00 0.00 C ATOM 1194 O PHE A 71 14.985 -15.263 -6.254 1.00 0.00 O ATOM 1195 CB PHE A 71 14.354 -12.456 -4.931 1.00 0.00 C ATOM 1196 CG PHE A 71 14.350 -13.593 -3.907 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.436 -14.594 -4.006 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.262 -13.601 -2.897 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.432 -15.649 -3.055 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.258 -14.656 -1.946 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.344 -15.658 -2.046 1.00 0.00 C ATOM 0 H PHE A 71 13.979 -11.043 -6.843 1.00 0.00 H new ATOM 0 HA PHE A 71 15.958 -12.881 -6.351 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.970 -11.641 -4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.340 -12.069 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.713 -14.587 -4.808 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.988 -12.806 -2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.705 -16.444 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.981 -14.662 -1.144 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.342 -16.461 -1.324 1.00 0.00 H new ATOM 1211 N GLU A 72 13.239 -14.316 -7.337 1.00 0.00 N ATOM 1212 CA GLU A 72 12.643 -15.586 -7.716 1.00 0.00 C ATOM 1213 C GLU A 72 13.402 -16.198 -8.894 1.00 0.00 C ATOM 1214 O GLU A 72 13.970 -17.283 -8.775 1.00 0.00 O ATOM 1215 CB GLU A 72 11.159 -15.417 -8.048 1.00 0.00 C ATOM 1216 CG GLU A 72 10.779 -16.228 -9.289 1.00 0.00 C ATOM 1217 CD GLU A 72 9.265 -16.437 -9.365 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.544 -15.435 -9.172 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.864 -17.595 -9.613 1.00 0.00 O ATOM 0 H GLU A 72 12.726 -13.493 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 72 12.717 -16.267 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.554 -15.738 -7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.938 -14.363 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.124 -15.712 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.282 -17.194 -9.264 1.00 0.00 H new ATOM 1226 N ALA A 73 13.388 -15.477 -10.005 1.00 0.00 N ATOM 1227 CA ALA A 73 14.068 -15.936 -11.204 1.00 0.00 C ATOM 1228 C ALA A 73 15.533 -16.229 -10.874 1.00 0.00 C ATOM 1229 O ALA A 73 16.167 -17.055 -11.528 1.00 0.00 O ATOM 1230 CB ALA A 73 13.918 -14.888 -12.309 1.00 0.00 C ATOM 0 H ALA A 73 12.916 -14.578 -10.100 1.00 0.00 H new ATOM 0 HA ALA A 73 13.621 -16.861 -11.568 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.428 -15.232 -13.209 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.861 -14.737 -12.527 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.358 -13.947 -11.980 1.00 0.00 H new ATOM 1236 N HIS A 74 16.027 -15.535 -9.859 1.00 0.00 N ATOM 1237 CA HIS A 74 17.406 -15.711 -9.434 1.00 0.00 C ATOM 1238 C HIS A 74 17.536 -17.013 -8.641 1.00 0.00 C ATOM 1239 O HIS A 74 18.638 -17.531 -8.468 1.00 0.00 O ATOM 1240 CB HIS A 74 17.893 -14.489 -8.653 1.00 0.00 C ATOM 1241 CG HIS A 74 19.390 -14.292 -8.693 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.231 -14.732 -7.686 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.186 -13.699 -9.628 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.475 -14.412 -8.010 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.445 -13.771 -9.214 1.00 0.00 N ATOM 0 H HIS A 74 15.498 -14.850 -9.319 1.00 0.00 H new ATOM 0 HA HIS A 74 18.053 -15.793 -10.308 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.409 -13.598 -9.053 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.577 -14.585 -7.614 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.849 -13.247 -10.549 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.358 -14.622 -7.424 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.256 -13.407 -9.714 1.00 0.00 H new ATOM 1253 N LYS A 75 16.395 -17.504 -8.179 1.00 0.00 N ATOM 1254 CA LYS A 75 16.368 -18.735 -7.408 1.00 0.00 C ATOM 1255 C LYS A 75 15.905 -19.884 -8.306 1.00 0.00 C ATOM 1256 O LYS A 75 15.518 -20.943 -7.815 1.00 0.00 O ATOM 1257 CB LYS A 75 15.519 -18.559 -6.147 1.00 0.00 C ATOM 1258 CG LYS A 75 14.115 -19.133 -6.347 1.00 0.00 C ATOM 1259 CD LYS A 75 13.126 -18.522 -5.353 1.00 0.00 C ATOM 1260 CE LYS A 75 11.682 -18.775 -5.790 1.00 0.00 C ATOM 1261 NZ LYS A 75 10.759 -18.622 -4.643 1.00 0.00 N ATOM 0 H LYS A 75 15.483 -17.071 -8.324 1.00 0.00 H new ATOM 0 HA LYS A 75 17.369 -18.987 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.003 -19.056 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.451 -17.501 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.780 -18.937 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.140 -20.216 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.290 -18.948 -4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.302 -17.449 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.408 -18.077 -6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.592 -19.779 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.783 -18.797 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.012 -19.305 -3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.833 -17.656 -4.264 1.00 0.00 H new ATOM 1275 N VAL A 76 15.959 -19.635 -9.606 1.00 0.00 N ATOM 1276 CA VAL A 76 15.550 -20.635 -10.577 1.00 0.00 C ATOM 1277 C VAL A 76 16.684 -20.861 -11.580 1.00 0.00 C ATOM 1278 O VAL A 76 16.957 -21.996 -11.968 1.00 0.00 O ATOM 1279 CB VAL A 76 14.239 -20.213 -11.243 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.548 -21.409 -11.902 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.309 -19.528 -10.239 1.00 0.00 C ATOM 0 H VAL A 76 16.280 -18.755 -10.010 1.00 0.00 H new ATOM 0 HA VAL A 76 15.357 -21.588 -10.084 1.00 0.00 H new ATOM 0 HB VAL A 76 14.478 -19.492 -12.025 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.619 -21.081 -12.368 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.204 -21.835 -12.661 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.329 -22.164 -11.147 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.385 -19.238 -10.738 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.081 -20.217 -9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.798 -18.641 -9.837 1.00 0.00 H new ATOM 1291 N LEU A 77 17.313 -19.762 -11.970 1.00 0.00 N ATOM 1292 CA LEU A 77 18.411 -19.826 -12.919 1.00 0.00 C ATOM 1293 C LEU A 77 19.714 -19.449 -12.211 1.00 0.00 C ATOM 1294 O LEU A 77 20.527 -20.317 -11.896 1.00 0.00 O ATOM 1295 CB LEU A 77 18.108 -18.966 -14.148 1.00 0.00 C ATOM 1296 CG LEU A 77 16.627 -18.774 -14.483 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.170 -17.352 -14.153 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.343 -19.144 -15.940 1.00 0.00 C ATOM 0 H LEU A 77 17.083 -18.823 -11.646 1.00 0.00 H new ATOM 0 HA LEU A 77 18.533 -20.843 -13.292 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.557 -17.984 -13.999 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.600 -19.414 -15.011 1.00 0.00 H new ATOM 0 HG LEU A 77 16.045 -19.452 -13.859 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.114 -17.242 -14.401 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.315 -17.161 -13.090 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.755 -16.638 -14.733 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.284 -18.999 -16.152 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.936 -18.509 -16.599 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.607 -20.188 -16.108 1.00 0.00 H new ATOM 1310 N GLY A 78 19.873 -18.154 -11.983 1.00 0.00 N ATOM 1311 CA GLY A 78 21.063 -17.652 -11.318 1.00 0.00 C ATOM 1312 C GLY A 78 21.300 -16.179 -11.658 1.00 0.00 C ATOM 1313 O GLY A 78 20.441 -15.335 -11.409 1.00 0.00 O ATOM 0 H GLY A 78 19.197 -17.437 -12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.957 -17.768 -10.239 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.929 -18.242 -11.619 1.00 0.00 H new ATOM 1317 N ASN A 79 22.471 -15.915 -12.220 1.00 0.00 N ATOM 1318 CA ASN A 79 22.832 -14.559 -12.596 1.00 0.00 C ATOM 1319 C ASN A 79 22.388 -14.298 -14.037 1.00 0.00 C ATOM 1320 O ASN A 79 22.911 -13.404 -14.700 1.00 0.00 O ATOM 1321 CB ASN A 79 24.346 -14.352 -12.524 1.00 0.00 C ATOM 1322 CG ASN A 79 25.066 -15.669 -12.228 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.874 -16.675 -12.892 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.904 -15.608 -11.197 1.00 0.00 N ATOM 0 H ASN A 79 23.182 -16.618 -12.424 1.00 0.00 H new ATOM 0 HA ASN A 79 22.341 -13.875 -11.904 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.706 -13.941 -13.467 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.580 -13.623 -11.748 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.433 -16.435 -10.920 1.00 0.00 H new ATOM 0 HD22 ASN A 79 26.018 -14.734 -10.683 1.00 0.00 H new ATOM 1331 N ARG A 80 21.426 -15.096 -14.479 1.00 0.00 N ATOM 1332 CA ARG A 80 20.905 -14.962 -15.829 1.00 0.00 C ATOM 1333 C ARG A 80 20.076 -13.683 -15.954 1.00 0.00 C ATOM 1334 O ARG A 80 18.897 -13.734 -16.303 1.00 0.00 O ATOM 1335 CB ARG A 80 20.036 -16.164 -16.205 1.00 0.00 C ATOM 1336 CG ARG A 80 20.841 -17.197 -16.995 1.00 0.00 C ATOM 1337 CD ARG A 80 21.128 -18.436 -16.145 1.00 0.00 C ATOM 1338 NE ARG A 80 21.102 -19.649 -16.992 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.741 -20.788 -16.694 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.461 -20.877 -15.568 1.00 0.00 N ATOM 1341 NH2 ARG A 80 21.661 -21.838 -17.523 1.00 0.00 N ATOM 0 H ARG A 80 20.994 -15.837 -13.926 1.00 0.00 H new ATOM 0 HA ARG A 80 21.755 -14.915 -16.509 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.635 -16.624 -15.302 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.185 -15.830 -16.798 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.290 -17.485 -17.890 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.780 -16.754 -17.328 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.101 -18.339 -15.664 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.387 -18.522 -15.350 1.00 0.00 H new ATOM 0 HE ARG A 80 20.563 -19.616 -17.858 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.523 -20.078 -14.938 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.948 -21.744 -15.341 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.114 -21.770 -18.381 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.148 -22.705 -17.296 1.00 0.00 H new ATOM 1355 N TRP A 81 20.724 -12.564 -15.662 1.00 0.00 N ATOM 1356 CA TRP A 81 20.061 -11.274 -15.737 1.00 0.00 C ATOM 1357 C TRP A 81 19.427 -11.148 -17.124 1.00 0.00 C ATOM 1358 O TRP A 81 18.368 -10.539 -17.274 1.00 0.00 O ATOM 1359 CB TRP A 81 21.035 -10.137 -15.421 1.00 0.00 C ATOM 1360 CG TRP A 81 22.044 -10.471 -14.320 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.377 -10.568 -14.423 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.745 -10.750 -12.936 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.956 -10.888 -13.212 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.933 -11.002 -12.279 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.512 -10.788 -12.261 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 23.004 -11.309 -10.915 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.601 -11.096 -10.898 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.788 -11.352 -10.222 1.00 0.00 C ATOM 0 H TRP A 81 21.701 -12.525 -15.373 1.00 0.00 H new ATOM 0 HA TRP A 81 19.275 -11.201 -14.986 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.577 -9.874 -16.329 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.466 -9.257 -15.123 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.929 -10.415 -15.339 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.952 -11.017 -13.034 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.571 -10.595 -12.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.946 -11.502 -10.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.682 -11.138 -10.332 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.773 -11.583 -9.167 1.00 0.00 H new ATOM 1379 N ALA A 82 20.101 -11.734 -18.103 1.00 0.00 N ATOM 1380 CA ALA A 82 19.616 -11.695 -19.472 1.00 0.00 C ATOM 1381 C ALA A 82 18.285 -12.444 -19.559 1.00 0.00 C ATOM 1382 O ALA A 82 17.484 -12.192 -20.458 1.00 0.00 O ATOM 1383 CB ALA A 82 20.677 -12.282 -20.406 1.00 0.00 C ATOM 0 H ALA A 82 20.978 -12.238 -17.975 1.00 0.00 H new ATOM 0 HA ALA A 82 19.437 -10.667 -19.786 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.314 -12.253 -21.433 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.594 -11.697 -20.329 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.880 -13.315 -20.122 1.00 0.00 H new ATOM 1389 N GLU A 83 18.089 -13.349 -18.612 1.00 0.00 N ATOM 1390 CA GLU A 83 16.868 -14.136 -18.570 1.00 0.00 C ATOM 1391 C GLU A 83 16.051 -13.783 -17.326 1.00 0.00 C ATOM 1392 O GLU A 83 14.907 -14.212 -17.187 1.00 0.00 O ATOM 1393 CB GLU A 83 17.179 -15.634 -18.614 1.00 0.00 C ATOM 1394 CG GLU A 83 18.396 -15.915 -19.497 1.00 0.00 C ATOM 1395 CD GLU A 83 18.071 -15.675 -20.973 1.00 0.00 C ATOM 1396 OE1 GLU A 83 16.883 -15.839 -21.326 1.00 0.00 O ATOM 1397 OE2 GLU A 83 19.017 -15.333 -21.714 1.00 0.00 O ATOM 0 H GLU A 83 18.755 -13.555 -17.868 1.00 0.00 H new ATOM 0 HA GLU A 83 16.274 -13.895 -19.452 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.365 -16.000 -17.604 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.315 -16.178 -18.996 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.225 -15.274 -19.195 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.722 -16.946 -19.356 1.00 0.00 H new ATOM 1404 N ILE A 84 16.671 -13.002 -16.452 1.00 0.00 N ATOM 1405 CA ILE A 84 16.015 -12.586 -15.224 1.00 0.00 C ATOM 1406 C ILE A 84 15.103 -11.393 -15.517 1.00 0.00 C ATOM 1407 O ILE A 84 13.999 -11.305 -14.983 1.00 0.00 O ATOM 1408 CB ILE A 84 17.050 -12.315 -14.130 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.820 -13.224 -12.920 1.00 0.00 C ATOM 1410 CG2 ILE A 84 17.062 -10.835 -13.741 1.00 0.00 C ATOM 1411 CD1 ILE A 84 17.552 -14.557 -13.089 1.00 0.00 C ATOM 0 H ILE A 84 17.620 -12.647 -16.570 1.00 0.00 H new ATOM 0 HA ILE A 84 15.381 -13.385 -14.840 1.00 0.00 H new ATOM 0 HB ILE A 84 18.037 -12.552 -14.527 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.168 -12.726 -12.015 1.00 0.00 H new ATOM 0 HG13 ILE A 84 15.752 -13.405 -12.794 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.806 -10.670 -12.962 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.310 -10.231 -14.614 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.078 -10.548 -13.370 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.372 -15.184 -12.216 1.00 0.00 H new ATOM 0 HD12 ILE A 84 17.184 -15.063 -13.981 1.00 0.00 H new ATOM 0 HD13 ILE A 84 18.622 -14.374 -13.190 1.00 0.00 H new ATOM 1423 N ALA A 85 15.599 -10.504 -16.365 1.00 0.00 N ATOM 1424 CA ALA A 85 14.843 -9.320 -16.735 1.00 0.00 C ATOM 1425 C ALA A 85 13.693 -9.723 -17.661 1.00 0.00 C ATOM 1426 O ALA A 85 12.632 -9.102 -17.644 1.00 0.00 O ATOM 1427 CB ALA A 85 15.779 -8.297 -17.381 1.00 0.00 C ATOM 0 H ALA A 85 16.515 -10.580 -16.806 1.00 0.00 H new ATOM 0 HA ALA A 85 14.408 -8.852 -15.852 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.211 -7.409 -17.658 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.561 -8.022 -16.673 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.233 -8.731 -18.272 1.00 0.00 H new ATOM 1433 N LYS A 86 13.944 -10.761 -18.445 1.00 0.00 N ATOM 1434 CA LYS A 86 12.943 -11.254 -19.376 1.00 0.00 C ATOM 1435 C LYS A 86 11.577 -11.272 -18.687 1.00 0.00 C ATOM 1436 O LYS A 86 10.546 -11.125 -19.341 1.00 0.00 O ATOM 1437 CB LYS A 86 13.363 -12.611 -19.944 1.00 0.00 C ATOM 1438 CG LYS A 86 14.310 -12.439 -21.133 1.00 0.00 C ATOM 1439 CD LYS A 86 13.711 -13.042 -22.405 1.00 0.00 C ATOM 1440 CE LYS A 86 14.802 -13.630 -23.301 1.00 0.00 C ATOM 1441 NZ LYS A 86 14.375 -14.936 -23.849 1.00 0.00 N ATOM 0 H LYS A 86 14.825 -11.274 -18.455 1.00 0.00 H new ATOM 0 HA LYS A 86 12.859 -10.587 -20.234 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.852 -13.199 -19.167 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.479 -13.168 -20.256 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.513 -11.380 -21.290 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.264 -12.918 -20.914 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.995 -13.820 -22.140 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.161 -12.275 -22.951 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.021 -12.941 -24.117 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.723 -13.752 -22.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.127 -15.321 -24.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.188 -15.596 -23.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.509 -14.810 -24.411 1.00 0.00 H new ATOM 1455 N LEU A 87 11.614 -11.454 -17.375 1.00 0.00 N ATOM 1456 CA LEU A 87 10.392 -11.493 -16.590 1.00 0.00 C ATOM 1457 C LEU A 87 9.888 -10.066 -16.367 1.00 0.00 C ATOM 1458 O LEU A 87 8.709 -9.782 -16.567 1.00 0.00 O ATOM 1459 CB LEU A 87 10.612 -12.277 -15.295 1.00 0.00 C ATOM 1460 CG LEU A 87 10.531 -13.801 -15.411 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.926 -14.415 -15.542 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.749 -14.399 -14.240 1.00 0.00 C ATOM 0 H LEU A 87 12.471 -11.576 -16.836 1.00 0.00 H new ATOM 0 HA LEU A 87 9.610 -12.027 -17.130 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.592 -12.014 -14.897 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.873 -11.948 -14.565 1.00 0.00 H new ATOM 0 HG LEU A 87 9.984 -14.046 -16.322 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.840 -15.499 -15.623 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.414 -14.022 -16.434 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.519 -14.162 -14.663 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.706 -15.483 -14.347 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.246 -14.146 -13.304 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.737 -13.995 -14.234 1.00 0.00 H new ATOM 1474 N LEU A 88 10.808 -9.206 -15.955 1.00 0.00 N ATOM 1475 CA LEU A 88 10.472 -7.815 -15.703 1.00 0.00 C ATOM 1476 C LEU A 88 10.782 -6.985 -16.950 1.00 0.00 C ATOM 1477 O LEU A 88 11.945 -6.814 -17.313 1.00 0.00 O ATOM 1478 CB LEU A 88 11.177 -7.314 -14.440 1.00 0.00 C ATOM 1479 CG LEU A 88 10.921 -8.119 -13.165 1.00 0.00 C ATOM 1480 CD1 LEU A 88 9.421 -8.284 -12.912 1.00 0.00 C ATOM 1481 CD2 LEU A 88 11.645 -9.466 -13.213 1.00 0.00 C ATOM 0 H LEU A 88 11.786 -9.446 -15.789 1.00 0.00 H new ATOM 0 HA LEU A 88 9.405 -7.711 -15.508 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.251 -7.301 -14.628 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.872 -6.283 -14.262 1.00 0.00 H new ATOM 0 HG LEU A 88 11.330 -7.562 -12.322 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.267 -8.860 -12.000 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.960 -7.302 -12.803 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.966 -8.808 -13.753 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.447 -10.019 -12.295 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.287 -10.041 -14.067 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.718 -9.299 -13.311 1.00 0.00 H new ATOM 1493 N PRO A 89 9.694 -6.479 -17.589 1.00 0.00 N ATOM 1494 CA PRO A 89 9.838 -5.671 -18.788 1.00 0.00 C ATOM 1495 C PRO A 89 10.335 -4.265 -18.446 1.00 0.00 C ATOM 1496 O PRO A 89 10.091 -3.767 -17.348 1.00 0.00 O ATOM 1497 CB PRO A 89 8.462 -5.674 -19.433 1.00 0.00 C ATOM 1498 CG PRO A 89 7.491 -6.090 -18.341 1.00 0.00 C ATOM 1499 CD PRO A 89 8.302 -6.661 -17.188 1.00 0.00 C ATOM 0 HA PRO A 89 10.586 -6.068 -19.475 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.211 -4.688 -19.823 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.426 -6.368 -20.273 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.903 -5.235 -18.007 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.788 -6.833 -18.718 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.087 -6.139 -16.256 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.071 -7.714 -17.024 1.00 0.00 H new ATOM 1507 N GLY A 90 11.022 -3.664 -19.407 1.00 0.00 N ATOM 1508 CA GLY A 90 11.555 -2.325 -19.220 1.00 0.00 C ATOM 1509 C GLY A 90 12.985 -2.375 -18.679 1.00 0.00 C ATOM 1510 O GLY A 90 13.793 -1.494 -18.970 1.00 0.00 O ATOM 0 H GLY A 90 11.222 -4.080 -20.317 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.540 -1.788 -20.168 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.920 -1.770 -18.529 1.00 0.00 H new ATOM 1514 N ARG A 91 13.254 -3.413 -17.901 1.00 0.00 N ATOM 1515 CA ARG A 91 14.572 -3.589 -17.316 1.00 0.00 C ATOM 1516 C ARG A 91 15.348 -4.670 -18.071 1.00 0.00 C ATOM 1517 O ARG A 91 14.805 -5.732 -18.373 1.00 0.00 O ATOM 1518 CB ARG A 91 14.472 -3.978 -15.840 1.00 0.00 C ATOM 1519 CG ARG A 91 14.041 -2.784 -14.986 1.00 0.00 C ATOM 1520 CD ARG A 91 15.179 -1.771 -14.845 1.00 0.00 C ATOM 1521 NE ARG A 91 14.696 -0.563 -14.140 1.00 0.00 N ATOM 1522 CZ ARG A 91 15.349 0.607 -14.121 1.00 0.00 C ATOM 1523 NH1 ARG A 91 16.516 0.734 -14.768 1.00 0.00 N ATOM 1524 NH2 ARG A 91 14.836 1.650 -13.454 1.00 0.00 N ATOM 0 H ARG A 91 12.581 -4.141 -17.662 1.00 0.00 H new ATOM 0 HA ARG A 91 15.099 -2.638 -17.394 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.756 -4.791 -15.722 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.436 -4.349 -15.492 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.175 -2.302 -15.439 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.733 -3.130 -13.999 1.00 0.00 H new ATOM 0 HD2 ARG A 91 16.008 -2.217 -14.295 1.00 0.00 H new ATOM 0 HD3 ARG A 91 15.560 -1.500 -15.830 1.00 0.00 H new ATOM 0 HE ARG A 91 13.811 -0.625 -13.637 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.907 -0.060 -15.275 1.00 0.00 H new ATOM 0 HH12 ARG A 91 17.013 1.625 -14.753 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.948 1.553 -12.961 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.333 2.541 -13.440 1.00 0.00 H new ATOM 1538 N THR A 92 16.605 -4.363 -18.353 1.00 0.00 N ATOM 1539 CA THR A 92 17.461 -5.296 -19.067 1.00 0.00 C ATOM 1540 C THR A 92 18.221 -6.185 -18.080 1.00 0.00 C ATOM 1541 O THR A 92 17.758 -6.416 -16.964 1.00 0.00 O ATOM 1542 CB THR A 92 18.378 -4.487 -19.987 1.00 0.00 C ATOM 1543 OG1 THR A 92 19.315 -3.884 -19.099 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.660 -3.301 -20.634 1.00 0.00 C ATOM 0 H THR A 92 17.052 -3.482 -18.100 1.00 0.00 H new ATOM 0 HA THR A 92 16.876 -5.977 -19.685 1.00 0.00 H new ATOM 0 HB THR A 92 18.777 -5.137 -20.765 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.950 -3.341 -19.612 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.356 -2.761 -21.276 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.823 -3.664 -21.230 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.290 -2.632 -19.857 1.00 0.00 H new ATOM 1552 N ASP A 93 19.374 -6.659 -18.527 1.00 0.00 N ATOM 1553 CA ASP A 93 20.202 -7.517 -17.698 1.00 0.00 C ATOM 1554 C ASP A 93 21.057 -6.652 -16.770 1.00 0.00 C ATOM 1555 O ASP A 93 21.130 -6.907 -15.569 1.00 0.00 O ATOM 1556 CB ASP A 93 21.144 -8.367 -18.553 1.00 0.00 C ATOM 1557 CG ASP A 93 21.753 -7.645 -19.756 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.957 -7.137 -20.575 1.00 0.00 O ATOM 1559 OD2 ASP A 93 23.001 -7.618 -19.830 1.00 0.00 O ATOM 0 H ASP A 93 19.755 -6.465 -19.453 1.00 0.00 H new ATOM 0 HA ASP A 93 19.543 -8.172 -17.128 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.953 -8.734 -17.921 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.598 -9.240 -18.910 1.00 0.00 H new ATOM 1564 N ASN A 94 21.683 -5.645 -17.362 1.00 0.00 N ATOM 1565 CA ASN A 94 22.530 -4.740 -16.604 1.00 0.00 C ATOM 1566 C ASN A 94 21.682 -4.006 -15.564 1.00 0.00 C ATOM 1567 O ASN A 94 22.218 -3.392 -14.642 1.00 0.00 O ATOM 1568 CB ASN A 94 23.171 -3.692 -17.516 1.00 0.00 C ATOM 1569 CG ASN A 94 24.695 -3.823 -17.515 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.354 -3.699 -16.495 1.00 0.00 O ATOM 1571 ND2 ASN A 94 25.217 -4.079 -18.711 1.00 0.00 N ATOM 0 H ASN A 94 21.620 -5.436 -18.358 1.00 0.00 H new ATOM 0 HA ASN A 94 23.312 -5.330 -16.127 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.793 -3.809 -18.532 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.888 -2.693 -17.183 1.00 0.00 H new ATOM 0 HD21 ASN A 94 26.226 -4.184 -18.815 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.608 -4.171 -19.524 1.00 0.00 H new ATOM 1578 N ALA A 95 20.372 -4.095 -15.745 1.00 0.00 N ATOM 1579 CA ALA A 95 19.445 -3.447 -14.833 1.00 0.00 C ATOM 1580 C ALA A 95 19.351 -4.263 -13.543 1.00 0.00 C ATOM 1581 O ALA A 95 19.783 -3.810 -12.484 1.00 0.00 O ATOM 1582 CB ALA A 95 18.087 -3.281 -15.518 1.00 0.00 C ATOM 0 H ALA A 95 19.931 -4.606 -16.510 1.00 0.00 H new ATOM 0 HA ALA A 95 19.801 -2.451 -14.568 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.391 -2.795 -14.834 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.203 -2.669 -16.413 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.698 -4.260 -15.796 1.00 0.00 H new ATOM 1588 N VAL A 96 18.784 -5.454 -13.674 1.00 0.00 N ATOM 1589 CA VAL A 96 18.628 -6.338 -12.531 1.00 0.00 C ATOM 1590 C VAL A 96 19.999 -6.608 -11.910 1.00 0.00 C ATOM 1591 O VAL A 96 20.198 -6.386 -10.716 1.00 0.00 O ATOM 1592 CB VAL A 96 17.901 -7.616 -12.954 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.733 -8.569 -11.769 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.548 -7.292 -13.592 1.00 0.00 C ATOM 0 H VAL A 96 18.427 -5.827 -14.554 1.00 0.00 H new ATOM 0 HA VAL A 96 18.011 -5.867 -11.765 1.00 0.00 H new ATOM 0 HB VAL A 96 18.514 -8.117 -13.703 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.213 -9.469 -12.097 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.714 -8.839 -11.377 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.152 -8.079 -10.988 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.052 -8.218 -13.884 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.926 -6.758 -12.874 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.701 -6.669 -14.473 1.00 0.00 H new ATOM 1604 N LYS A 97 20.910 -7.083 -12.747 1.00 0.00 N ATOM 1605 CA LYS A 97 22.257 -7.386 -12.295 1.00 0.00 C ATOM 1606 C LYS A 97 22.711 -6.312 -11.304 1.00 0.00 C ATOM 1607 O LYS A 97 23.062 -6.620 -10.166 1.00 0.00 O ATOM 1608 CB LYS A 97 23.197 -7.558 -13.489 1.00 0.00 C ATOM 1609 CG LYS A 97 24.605 -7.941 -13.028 1.00 0.00 C ATOM 1610 CD LYS A 97 25.525 -8.189 -14.225 1.00 0.00 C ATOM 1611 CE LYS A 97 25.902 -6.873 -14.908 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.352 -6.611 -14.765 1.00 0.00 N ATOM 0 H LYS A 97 20.741 -7.265 -13.736 1.00 0.00 H new ATOM 0 HA LYS A 97 22.276 -8.338 -11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.807 -8.327 -14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.237 -6.631 -14.061 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.017 -7.146 -12.407 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.558 -8.837 -12.409 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.428 -8.703 -13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.029 -8.845 -14.940 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.637 -6.916 -15.964 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.333 -6.053 -14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.591 -5.714 -15.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.596 -6.549 -13.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.890 -7.385 -15.204 1.00 0.00 H new ATOM 1626 N ASN A 98 22.690 -5.073 -11.773 1.00 0.00 N ATOM 1627 CA ASN A 98 23.095 -3.952 -10.943 1.00 0.00 C ATOM 1628 C ASN A 98 22.214 -3.904 -9.693 1.00 0.00 C ATOM 1629 O ASN A 98 22.712 -3.704 -8.586 1.00 0.00 O ATOM 1630 CB ASN A 98 22.930 -2.626 -11.689 1.00 0.00 C ATOM 1631 CG ASN A 98 23.868 -1.558 -11.123 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.700 -1.071 -10.016 1.00 0.00 O ATOM 1633 ND2 ASN A 98 24.861 -1.221 -11.941 1.00 0.00 N ATOM 0 H ASN A 98 22.399 -4.821 -12.717 1.00 0.00 H new ATOM 0 HA ASN A 98 24.144 -4.089 -10.679 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.138 -2.773 -12.749 1.00 0.00 H new ATOM 0 HB3 ASN A 98 21.897 -2.287 -11.611 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.540 -0.516 -11.655 1.00 0.00 H new ATOM 0 HD22 ASN A 98 24.943 -1.668 -12.854 1.00 0.00 H new ATOM 1640 N HIS A 99 20.921 -4.091 -9.911 1.00 0.00 N ATOM 1641 CA HIS A 99 19.966 -4.071 -8.816 1.00 0.00 C ATOM 1642 C HIS A 99 20.345 -5.137 -7.786 1.00 0.00 C ATOM 1643 O HIS A 99 19.946 -5.053 -6.625 1.00 0.00 O ATOM 1644 CB HIS A 99 18.537 -4.233 -9.338 1.00 0.00 C ATOM 1645 CG HIS A 99 17.479 -4.160 -8.264 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.588 -3.334 -7.159 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.291 -4.818 -8.137 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.509 -3.496 -6.407 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.706 -4.416 -7.015 1.00 0.00 N ATOM 0 H HIS A 99 20.512 -4.257 -10.830 1.00 0.00 H new ATOM 0 HA HIS A 99 20.000 -3.103 -8.316 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.342 -3.458 -10.079 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.455 -5.192 -9.850 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.893 -5.543 -8.832 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.302 -2.989 -5.476 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.805 -4.741 -6.665 1.00 0.00 H new ATOM 1657 N TRP A 100 21.111 -6.114 -8.248 1.00 0.00 N ATOM 1658 CA TRP A 100 21.548 -7.195 -7.381 1.00 0.00 C ATOM 1659 C TRP A 100 22.508 -6.610 -6.343 1.00 0.00 C ATOM 1660 O TRP A 100 22.397 -6.906 -5.154 1.00 0.00 O ATOM 1661 CB TRP A 100 22.169 -8.333 -8.194 1.00 0.00 C ATOM 1662 CG TRP A 100 21.935 -9.723 -7.598 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.836 -10.692 -7.386 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.676 -10.263 -7.145 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.252 -11.813 -6.831 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.896 -11.543 -6.679 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.392 -9.689 -7.128 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.881 -12.357 -6.163 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.388 -10.515 -6.609 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.594 -11.806 -6.137 1.00 0.00 C ATOM 0 H TRP A 100 21.440 -6.180 -9.211 1.00 0.00 H new ATOM 0 HA TRP A 100 20.699 -7.638 -6.860 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.761 -8.309 -9.204 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.242 -8.161 -8.279 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.887 -10.607 -7.620 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.727 -12.680 -6.579 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.196 -8.689 -7.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 20.080 -13.356 -5.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.383 -10.122 -6.573 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.765 -12.382 -5.752 1.00 0.00 H new ATOM 1681 N ASN A 101 23.428 -5.790 -6.830 1.00 0.00 N ATOM 1682 CA ASN A 101 24.406 -5.161 -5.959 1.00 0.00 C ATOM 1683 C ASN A 101 23.847 -3.832 -5.448 1.00 0.00 C ATOM 1684 O ASN A 101 24.516 -3.119 -4.702 1.00 0.00 O ATOM 1685 CB ASN A 101 25.706 -4.869 -6.711 1.00 0.00 C ATOM 1686 CG ASN A 101 26.539 -6.141 -6.880 1.00 0.00 C ATOM 1687 OD1 ASN A 101 27.139 -6.649 -5.948 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.543 -6.624 -8.119 1.00 0.00 N ATOM 0 H ASN A 101 23.517 -5.547 -7.817 1.00 0.00 H new ATOM 0 HA ASN A 101 24.612 -5.844 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.477 -4.447 -7.690 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.284 -4.121 -6.168 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.071 -7.470 -8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.018 -6.149 -8.853 1.00 0.00 H new ATOM 1695 N SER A 102 22.625 -3.539 -5.869 1.00 0.00 N ATOM 1696 CA SER A 102 21.968 -2.308 -5.463 1.00 0.00 C ATOM 1697 C SER A 102 21.513 -2.414 -4.006 1.00 0.00 C ATOM 1698 O SER A 102 22.210 -1.959 -3.100 1.00 0.00 O ATOM 1699 CB SER A 102 20.777 -1.995 -6.370 1.00 0.00 C ATOM 1700 OG SER A 102 21.187 -1.467 -7.628 1.00 0.00 O ATOM 0 H SER A 102 22.073 -4.133 -6.487 1.00 0.00 H new ATOM 0 HA SER A 102 22.684 -1.491 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.195 -2.903 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.121 -1.280 -5.873 1.00 0.00 H new ATOM 0 HG SER A 102 21.850 -2.064 -8.033 1.00 0.00 H new ATOM 1706 N THR A 103 20.348 -3.017 -3.826 1.00 0.00 N ATOM 1707 CA THR A 103 19.792 -3.188 -2.494 1.00 0.00 C ATOM 1708 C THR A 103 19.463 -4.661 -2.239 1.00 0.00 C ATOM 1709 O THR A 103 19.082 -5.032 -1.130 1.00 0.00 O ATOM 1710 CB THR A 103 18.579 -2.264 -2.366 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.115 -1.062 -1.819 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.586 -2.745 -1.306 1.00 0.00 C ATOM 0 H THR A 103 19.773 -3.393 -4.580 1.00 0.00 H new ATOM 0 HA THR A 103 20.513 -2.910 -1.725 1.00 0.00 H new ATOM 0 HB THR A 103 18.075 -2.191 -3.330 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.396 -0.406 -1.704 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.744 -2.054 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.224 -3.739 -1.570 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.081 -2.785 -0.336 1.00 0.00 H new ATOM 1720 N ILE A 104 19.623 -5.460 -3.283 1.00 0.00 N ATOM 1721 CA ILE A 104 19.349 -6.883 -3.186 1.00 0.00 C ATOM 1722 C ILE A 104 20.612 -7.611 -2.723 1.00 0.00 C ATOM 1723 O ILE A 104 20.908 -8.709 -3.193 1.00 0.00 O ATOM 1724 CB ILE A 104 18.783 -7.411 -4.506 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.822 -6.400 -5.134 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.129 -8.781 -4.313 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.419 -6.830 -6.546 1.00 0.00 C ATOM 0 H ILE A 104 19.939 -5.149 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 104 18.579 -7.073 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 104 19.610 -7.545 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.932 -6.304 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.294 -5.418 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.735 -9.134 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.870 -9.489 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.315 -8.697 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.736 -6.094 -6.969 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.308 -6.902 -7.172 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.926 -7.801 -6.504 1.00 0.00 H new ATOM 1739 N LYS A 105 21.324 -6.971 -1.807 1.00 0.00 N ATOM 1740 CA LYS A 105 22.549 -7.544 -1.276 1.00 0.00 C ATOM 1741 C LYS A 105 22.302 -8.027 0.155 1.00 0.00 C ATOM 1742 O LYS A 105 21.158 -8.093 0.603 1.00 0.00 O ATOM 1743 CB LYS A 105 23.703 -6.548 -1.398 1.00 0.00 C ATOM 1744 CG LYS A 105 24.131 -6.379 -2.857 1.00 0.00 C ATOM 1745 CD LYS A 105 24.751 -7.669 -3.399 1.00 0.00 C ATOM 1746 CE LYS A 105 26.185 -7.842 -2.892 1.00 0.00 C ATOM 1747 NZ LYS A 105 26.963 -8.692 -3.821 1.00 0.00 N ATOM 0 H LYS A 105 21.076 -6.061 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 105 22.847 -8.415 -1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.400 -5.584 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.550 -6.893 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 105 23.268 -6.103 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.850 -5.564 -2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 105 24.147 -8.524 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 105 24.746 -7.649 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 105 26.663 -6.867 -2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 105 26.174 -8.292 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 27.859 -8.968 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 26.415 -9.545 -4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 27.162 -8.161 -4.693 1.00 0.00 H new ATOM 1761 N ARG A 106 23.393 -8.352 0.832 1.00 0.00 N ATOM 1762 CA ARG A 106 23.309 -8.828 2.203 1.00 0.00 C ATOM 1763 C ARG A 106 23.568 -7.679 3.180 1.00 0.00 C ATOM 1764 O ARG A 106 22.630 -7.102 3.728 1.00 0.00 O ATOM 1765 CB ARG A 106 24.322 -9.945 2.461 1.00 0.00 C ATOM 1766 CG ARG A 106 23.710 -11.317 2.170 1.00 0.00 C ATOM 1767 CD ARG A 106 24.772 -12.293 1.658 1.00 0.00 C ATOM 1768 NE ARG A 106 25.078 -12.008 0.238 1.00 0.00 N ATOM 1769 CZ ARG A 106 25.605 -12.901 -0.610 1.00 0.00 C ATOM 1770 NH1 ARG A 106 25.888 -14.141 -0.188 1.00 0.00 N ATOM 1771 NH2 ARG A 106 25.850 -12.554 -1.881 1.00 0.00 N ATOM 0 H ARG A 106 24.340 -8.295 0.457 1.00 0.00 H new ATOM 0 HA ARG A 106 22.304 -9.221 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 106 25.202 -9.795 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 106 24.657 -9.905 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 106 23.252 -11.714 3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 106 22.917 -11.216 1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 106 25.678 -12.206 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 106 24.417 -13.318 1.764 1.00 0.00 H new ATOM 0 HE ARG A 106 24.875 -11.074 -0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 106 25.702 -14.405 0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 106 26.289 -14.821 -0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 106 25.635 -11.610 -2.202 1.00 0.00 H new ATOM 0 HH22 ARG A 106 26.251 -13.234 -2.527 1.00 0.00 H new ATOM 1785 N LYS A 107 24.845 -7.380 3.367 1.00 0.00 N ATOM 1786 CA LYS A 107 25.239 -6.310 4.268 1.00 0.00 C ATOM 1787 C LYS A 107 24.832 -4.965 3.664 1.00 0.00 C ATOM 1788 O LYS A 107 25.682 -4.113 3.409 1.00 0.00 O ATOM 1789 CB LYS A 107 26.729 -6.411 4.600 1.00 0.00 C ATOM 1790 CG LYS A 107 26.971 -6.223 6.099 1.00 0.00 C ATOM 1791 CD LYS A 107 27.918 -5.050 6.359 1.00 0.00 C ATOM 1792 CE LYS A 107 28.417 -5.058 7.806 1.00 0.00 C ATOM 1793 NZ LYS A 107 29.738 -5.721 7.894 1.00 0.00 N ATOM 0 H LYS A 107 25.620 -7.860 2.910 1.00 0.00 H new ATOM 0 HA LYS A 107 24.718 -6.402 5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 107 27.110 -7.383 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 107 27.282 -5.656 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 107 26.022 -6.048 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 107 27.393 -7.136 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 107 28.767 -5.105 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 107 27.405 -4.111 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 107 28.491 -4.036 8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 107 27.700 -5.577 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 30.063 -5.718 8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 29.657 -6.702 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 30.424 -5.209 7.303 1.00 0.00 H new ATOM 1807 N VAL A 108 23.533 -4.816 3.453 1.00 0.00 N ATOM 1808 CA VAL A 108 23.004 -3.588 2.883 1.00 0.00 C ATOM 1809 C VAL A 108 21.935 -3.017 3.817 1.00 0.00 C ATOM 1810 O VAL A 108 22.070 -1.898 4.311 1.00 0.00 O ATOM 1811 CB VAL A 108 22.483 -3.850 1.468 1.00 0.00 C ATOM 1812 CG1 VAL A 108 21.142 -3.149 1.239 1.00 0.00 C ATOM 1813 CG2 VAL A 108 23.511 -3.424 0.418 1.00 0.00 C ATOM 0 H VAL A 108 22.831 -5.525 3.666 1.00 0.00 H new ATOM 0 HA VAL A 108 23.791 -2.839 2.792 1.00 0.00 H new ATOM 0 HB VAL A 108 22.322 -4.923 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 108 20.794 -3.351 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 108 20.410 -3.521 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 108 21.266 -2.074 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 108 23.116 -3.621 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 108 23.718 -2.359 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 108 24.432 -3.988 0.561 1.00 0.00 H new ATOM 1823 N ASP A 109 20.896 -3.811 4.032 1.00 0.00 N ATOM 1824 CA ASP A 109 19.805 -3.399 4.898 1.00 0.00 C ATOM 1825 C ASP A 109 19.542 -1.904 4.703 1.00 0.00 C ATOM 1826 O ASP A 109 19.592 -1.132 5.660 1.00 0.00 O ATOM 1827 CB ASP A 109 20.152 -3.630 6.370 1.00 0.00 C ATOM 1828 CG ASP A 109 19.163 -3.028 7.370 1.00 0.00 C ATOM 1829 OD1 ASP A 109 17.980 -2.899 6.990 1.00 0.00 O ATOM 1830 OD2 ASP A 109 19.614 -2.710 8.492 1.00 0.00 O ATOM 0 H ASP A 109 20.787 -4.738 3.621 1.00 0.00 H new ATOM 0 HA ASP A 109 18.927 -3.990 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 109 20.217 -4.703 6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 109 21.141 -3.214 6.564 1.00 0.00 H new ATOM 1835 N THR A 110 19.268 -1.541 3.459 1.00 0.00 N ATOM 1836 CA THR A 110 18.998 -0.152 3.127 1.00 0.00 C ATOM 1837 C THR A 110 18.579 -0.026 1.661 1.00 0.00 C ATOM 1838 O THR A 110 18.226 1.060 1.204 1.00 0.00 O ATOM 1839 CB THR A 110 20.241 0.668 3.477 1.00 0.00 C ATOM 1840 OG1 THR A 110 19.795 2.020 3.410 1.00 0.00 O ATOM 1841 CG2 THR A 110 21.324 0.579 2.400 1.00 0.00 C ATOM 0 H THR A 110 19.227 -2.184 2.668 1.00 0.00 H new ATOM 0 HA THR A 110 18.161 0.238 3.706 1.00 0.00 H new ATOM 0 HB THR A 110 20.647 0.324 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 110 19.074 2.094 2.751 1.00 0.00 H new ATOM 0 HG21 THR A 110 22.184 1.179 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 110 21.631 -0.460 2.278 1.00 0.00 H new ATOM 0 HG23 THR A 110 20.930 0.954 1.456 1.00 0.00 H new TER 1849 THR A 110