USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 945 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 116 SER OG : rot -80:sc= 0 USER MOD Set 1.2: A 117 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 16 HIS :FLIP no HD1:sc= -1.06 F(o=-1.6,f=-0.14) USER MOD Set 2.2: A 90 THR OG1 : rot -102:sc= -0.173 USER MOD Set 2.3: A 108 CYS SG : rot -17:sc= -0.0274 USER MOD Set 2.4: A 110 ASN :FLIP amide:sc= 1.12 F(o=-1.1,f=-0.14) USER MOD Set 3.1: A 97 ASN : amide:sc= 0.343 K(o=0.82,f=-1.2!) USER MOD Set 3.2: A 100 SER OG : rot -170:sc= 0.479 USER MOD Set 4.1: A 80 SER OG : rot 180:sc= -0.111 USER MOD Set 4.2: A 82 ASN : amide:sc= -2.22 K(o=-2.3,f=-9.9!) USER MOD Set 5.1: A 5 ASN :FLIP amide:sc= -0.799 F(o=-6.7!,f=-5) USER MOD Set 5.2: A 36 GLN : amide:sc= -4.15! C(o=-5!,f=-6.8!) USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.788 (180deg=0.243) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 8 GLN : amide:sc= -0.0895 K(o=-0.089,f=-1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 14 SER OG : rot 27:sc= -0.157 USER MOD Single : A 17 ASN : amide:sc= -0.955 K(o=-0.96,f=-9.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.766 F(o=-2.3!,f=-0.77) USER MOD Single : A 29 CYS SG : rot 171:sc= -2.62! USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.63 USER MOD Single : A 35 TYR OH : rot -109:sc= 2.52 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= 1.33 (180deg=1.15) USER MOD Single : A 44 ASN : amide:sc= 0.439 K(o=0.44,f=-7.6!) USER MOD Single : A 49 CYS SG : rot 84:sc= -1.05! USER MOD Single : A 50 HIS : no HD1:sc= -0.985 K(o=-0.99,f=-7.8!) USER MOD Single : A 54 GLN : amide:sc= -2.17! C(o=-2.2!,f=-3.1!) USER MOD Single : A 55 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.8!) USER MOD Single : A 60 SER OG : rot -60:sc= 1.18 USER MOD Single : A 62 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.039) USER MOD Single : A 63 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 66 LYS NZ :NH3+ -163:sc= -0.0826 (180deg=-0.408) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0535 K(o=-0.053,f=-1.2) USER MOD Single : A 73 SER OG : rot 180:sc= 0.00523 USER MOD Single : A 75 MET CE :methyl 151:sc= 0 (180deg=-0.327) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= -0.0839 (180deg=-0.437) USER MOD Single : A 83 GLN : amide:sc= -0.889 X(o=-0.89,f=-0.48) USER MOD Single : A 88 MET CE :methyl -163:sc= -3.11! (180deg=-3.89!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 139:sc= -2.09! USER MOD Single : A 94 THR OG1 : rot 43:sc= 0.575 USER MOD Single : A 96 GLN : amide:sc= -2.47! C(o=-2.5!,f=-7.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0.711 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.3) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.0657 X(o=-0.066,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.026 21.125 0.638 1.00 0.00 N ATOM 2 CA GLY A 1 -0.830 20.243 0.585 1.00 0.00 C ATOM 3 C GLY A 1 -0.943 19.102 1.567 1.00 0.00 C ATOM 4 O GLY A 1 -1.258 19.329 2.735 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.217 21.509 -0.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.848 20.576 0.961 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.851 21.908 1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.713 19.847 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.064 20.826 0.804 1.00 0.00 H new ATOM 10 N ALA A 2 -0.681 17.876 1.090 1.00 0.00 N ATOM 11 CA ALA A 2 -0.889 16.648 1.870 1.00 0.00 C ATOM 12 C ALA A 2 -2.382 16.427 2.074 1.00 0.00 C ATOM 13 O ALA A 2 -2.969 15.507 1.510 1.00 0.00 O ATOM 14 CB ALA A 2 -0.147 16.691 3.204 1.00 0.00 C ATOM 0 H ALA A 2 -0.319 17.708 0.151 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.476 15.807 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.327 15.765 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.922 16.804 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.506 17.535 3.793 1.00 0.00 H new ATOM 20 N MET A 3 -2.971 17.276 2.893 1.00 0.00 N ATOM 21 CA MET A 3 -4.410 17.430 2.966 1.00 0.00 C ATOM 22 C MET A 3 -4.855 18.348 1.831 1.00 0.00 C ATOM 23 O MET A 3 -4.191 19.350 1.554 1.00 0.00 O ATOM 24 CB MET A 3 -4.812 18.022 4.322 1.00 0.00 C ATOM 25 CG MET A 3 -6.293 18.299 4.466 1.00 0.00 C ATOM 26 SD MET A 3 -6.693 19.121 6.019 1.00 0.00 S ATOM 27 CE MET A 3 -8.465 19.302 5.862 1.00 0.00 C ATOM 0 H MET A 3 -2.459 17.884 3.532 1.00 0.00 H new ATOM 0 HA MET A 3 -4.894 16.459 2.866 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.504 17.335 5.111 1.00 0.00 H new ATOM 0 HB3 MET A 3 -4.264 18.951 4.477 1.00 0.00 H new ATOM 0 HG2 MET A 3 -6.626 18.919 3.634 1.00 0.00 H new ATOM 0 HG3 MET A 3 -6.843 17.360 4.403 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.860 19.796 6.750 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.693 19.902 4.981 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.924 18.318 5.760 1.00 0.00 H new ATOM 37 N ASP A 4 -5.951 17.985 1.172 1.00 0.00 N ATOM 38 CA ASP A 4 -6.485 18.744 0.037 1.00 0.00 C ATOM 39 C ASP A 4 -5.508 18.761 -1.143 1.00 0.00 C ATOM 40 O ASP A 4 -4.552 19.540 -1.172 1.00 0.00 O ATOM 41 CB ASP A 4 -6.836 20.170 0.465 1.00 0.00 C ATOM 42 CG ASP A 4 -7.357 21.016 -0.677 1.00 0.00 C ATOM 43 OD1 ASP A 4 -8.452 20.714 -1.197 1.00 0.00 O ATOM 44 OD2 ASP A 4 -6.690 22.004 -1.038 1.00 0.00 O ATOM 0 H ASP A 4 -6.497 17.156 1.407 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.394 18.243 -0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.586 20.133 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.951 20.645 0.888 1.00 0.00 H new ATOM 49 N ASN A 5 -5.750 17.879 -2.109 1.00 0.00 N ATOM 50 CA ASN A 5 -4.938 17.810 -3.324 1.00 0.00 C ATOM 51 C ASN A 5 -5.875 17.615 -4.509 1.00 0.00 C ATOM 52 O ASN A 5 -6.935 17.011 -4.355 1.00 0.00 O ATOM 53 CB ASN A 5 -3.926 16.651 -3.272 1.00 0.00 C ATOM 54 CG ASN A 5 -3.225 16.514 -1.930 1.00 0.00 C ATOM 55 OD1 ASN A 5 -3.767 15.652 -1.079 1.00 0.00 O flip ATOM 56 ND2 ASN A 5 -2.199 17.145 -1.669 1.00 0.00 N flip ATOM 0 H ASN A 5 -6.507 17.197 -2.074 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.369 18.735 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.442 15.718 -3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.177 16.799 -4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.815 17.798 -2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.734 17.014 -0.771 1.00 0.00 H new ATOM 63 N VAL A 6 -5.506 18.119 -5.679 1.00 0.00 N ATOM 64 CA VAL A 6 -6.404 18.066 -6.827 1.00 0.00 C ATOM 65 C VAL A 6 -5.750 17.433 -8.059 1.00 0.00 C ATOM 66 O VAL A 6 -4.657 17.830 -8.472 1.00 0.00 O ATOM 67 CB VAL A 6 -6.940 19.479 -7.172 1.00 0.00 C ATOM 68 CG1 VAL A 6 -5.806 20.447 -7.480 1.00 0.00 C ATOM 69 CG2 VAL A 6 -7.928 19.419 -8.329 1.00 0.00 C ATOM 0 H VAL A 6 -4.605 18.563 -5.858 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.238 17.426 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.465 19.853 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.219 21.427 -7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.152 20.529 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.234 20.078 -8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.289 20.423 -8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.433 19.008 -9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.770 18.783 -8.056 1.00 0.00 H new ATOM 79 N CYS A 7 -6.429 16.420 -8.607 1.00 0.00 N ATOM 80 CA CYS A 7 -6.070 15.802 -9.886 1.00 0.00 C ATOM 81 C CYS A 7 -4.712 15.104 -9.855 1.00 0.00 C ATOM 82 O CYS A 7 -3.704 15.646 -10.310 1.00 0.00 O ATOM 83 CB CYS A 7 -6.110 16.836 -11.013 1.00 0.00 C ATOM 84 SG CYS A 7 -7.754 17.525 -11.306 1.00 0.00 S ATOM 0 H CYS A 7 -7.251 16.003 -8.170 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.815 15.029 -10.075 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.423 17.648 -10.774 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.750 16.373 -11.932 1.00 0.00 H new ATOM 0 HG CYS A 7 -7.695 18.392 -12.273 1.00 0.00 H new ATOM 90 N GLN A 8 -4.703 13.887 -9.332 1.00 0.00 N ATOM 91 CA GLN A 8 -3.509 13.051 -9.335 1.00 0.00 C ATOM 92 C GLN A 8 -3.750 11.767 -10.135 1.00 0.00 C ATOM 93 O GLN A 8 -4.897 11.379 -10.372 1.00 0.00 O ATOM 94 CB GLN A 8 -3.097 12.695 -7.898 1.00 0.00 C ATOM 95 CG GLN A 8 -2.326 13.791 -7.180 1.00 0.00 C ATOM 96 CD GLN A 8 -3.173 14.990 -6.807 1.00 0.00 C ATOM 97 OE1 GLN A 8 -4.371 14.871 -6.544 1.00 0.00 O ATOM 98 NE2 GLN A 8 -2.546 16.152 -6.772 1.00 0.00 N ATOM 0 H GLN A 8 -5.516 13.452 -8.896 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.704 13.615 -9.806 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.993 12.460 -7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.487 11.792 -7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.881 13.377 -6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.505 14.122 -7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.553 16.202 -6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.055 16.999 -6.519 1.00 0.00 H new ATOM 107 N PRO A 9 -2.667 11.121 -10.609 1.00 0.00 N ATOM 108 CA PRO A 9 -2.729 9.766 -11.181 1.00 0.00 C ATOM 109 C PRO A 9 -3.223 8.739 -10.158 1.00 0.00 C ATOM 110 O PRO A 9 -3.073 8.936 -8.951 1.00 0.00 O ATOM 111 CB PRO A 9 -1.276 9.465 -11.568 1.00 0.00 C ATOM 112 CG PRO A 9 -0.621 10.798 -11.676 1.00 0.00 C ATOM 113 CD PRO A 9 -1.309 11.683 -10.674 1.00 0.00 C ATOM 0 HA PRO A 9 -3.424 9.710 -12.019 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.788 8.845 -10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.223 8.922 -12.512 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.446 10.726 -11.465 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.720 11.200 -12.684 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.814 11.654 -9.703 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.319 12.724 -10.996 1.00 0.00 H new ATOM 121 N THR A 10 -3.787 7.634 -10.644 1.00 0.00 N ATOM 122 CA THR A 10 -4.402 6.633 -9.780 1.00 0.00 C ATOM 123 C THR A 10 -3.379 5.621 -9.255 1.00 0.00 C ATOM 124 O THR A 10 -3.684 4.438 -9.075 1.00 0.00 O ATOM 125 CB THR A 10 -5.523 5.897 -10.536 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.754 6.542 -11.798 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.812 5.895 -9.725 1.00 0.00 C ATOM 0 H THR A 10 -3.830 7.411 -11.638 1.00 0.00 H new ATOM 0 HA THR A 10 -4.821 7.157 -8.921 1.00 0.00 H new ATOM 0 HB THR A 10 -5.212 4.865 -10.697 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.466 6.072 -12.280 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.590 5.370 -10.279 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.642 5.392 -8.773 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.128 6.922 -9.542 1.00 0.00 H new ATOM 135 N GLU A 11 -2.160 6.085 -9.040 1.00 0.00 N ATOM 136 CA GLU A 11 -1.131 5.279 -8.409 1.00 0.00 C ATOM 137 C GLU A 11 -0.277 6.154 -7.500 1.00 0.00 C ATOM 138 O GLU A 11 0.096 7.266 -7.876 1.00 0.00 O ATOM 139 CB GLU A 11 -0.261 4.600 -9.470 1.00 0.00 C ATOM 140 CG GLU A 11 0.351 5.571 -10.467 1.00 0.00 C ATOM 141 CD GLU A 11 1.336 4.905 -11.402 1.00 0.00 C ATOM 142 OE1 GLU A 11 0.897 4.225 -12.352 1.00 0.00 O ATOM 143 OE2 GLU A 11 2.556 5.082 -11.206 1.00 0.00 O ATOM 0 H GLU A 11 -1.858 7.025 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.606 4.503 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.538 4.049 -8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.864 3.870 -10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.444 6.033 -11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.855 6.372 -9.926 1.00 0.00 H new ATOM 150 N PHE A 12 0.016 5.670 -6.304 1.00 0.00 N ATOM 151 CA PHE A 12 0.839 6.426 -5.374 1.00 0.00 C ATOM 152 C PHE A 12 1.958 5.562 -4.814 1.00 0.00 C ATOM 153 O PHE A 12 1.852 4.337 -4.764 1.00 0.00 O ATOM 154 CB PHE A 12 -0.002 7.033 -4.235 1.00 0.00 C ATOM 155 CG PHE A 12 -0.617 6.047 -3.267 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.881 5.524 -3.495 1.00 0.00 C ATOM 157 CD2 PHE A 12 0.057 5.670 -2.112 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.458 4.641 -2.596 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.516 4.792 -1.209 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.774 4.275 -1.451 1.00 0.00 C ATOM 0 H PHE A 12 -0.301 4.765 -5.956 1.00 0.00 H new ATOM 0 HA PHE A 12 1.286 7.250 -5.930 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.629 7.720 -3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.803 7.625 -4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.423 5.809 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.042 6.068 -1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.441 4.239 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.020 4.511 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.222 3.588 -0.749 1.00 0.00 H new ATOM 170 N ILE A 13 3.042 6.209 -4.425 1.00 0.00 N ATOM 171 CA ILE A 13 4.160 5.520 -3.810 1.00 0.00 C ATOM 172 C ILE A 13 4.135 5.753 -2.308 1.00 0.00 C ATOM 173 O ILE A 13 4.035 6.894 -1.852 1.00 0.00 O ATOM 174 CB ILE A 13 5.511 6.003 -4.381 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.553 5.803 -5.898 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.667 5.263 -3.714 1.00 0.00 C ATOM 177 CD1 ILE A 13 6.819 6.322 -6.550 1.00 0.00 C ATOM 0 H ILE A 13 3.171 7.216 -4.525 1.00 0.00 H new ATOM 0 HA ILE A 13 4.061 4.457 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 13 5.614 7.067 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.452 4.740 -6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.694 6.304 -6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.612 5.615 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.648 5.451 -2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.568 4.193 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.774 6.144 -7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.912 7.392 -6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.682 5.804 -6.132 1.00 0.00 H new ATOM 189 N SER A 14 4.211 4.679 -1.547 1.00 0.00 N ATOM 190 CA SER A 14 4.156 4.783 -0.106 1.00 0.00 C ATOM 191 C SER A 14 5.339 4.074 0.539 1.00 0.00 C ATOM 192 O SER A 14 5.764 3.007 0.095 1.00 0.00 O ATOM 193 CB SER A 14 2.842 4.197 0.418 1.00 0.00 C ATOM 194 OG SER A 14 2.731 4.368 1.819 1.00 0.00 O ATOM 0 H SER A 14 4.311 3.728 -1.903 1.00 0.00 H new ATOM 0 HA SER A 14 4.205 5.839 0.159 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.001 4.681 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.790 3.136 0.173 1.00 0.00 H new ATOM 0 HG SER A 14 3.245 5.156 2.094 1.00 0.00 H new ATOM 200 N ARG A 15 5.872 4.680 1.583 1.00 0.00 N ATOM 201 CA ARG A 15 6.913 4.064 2.379 1.00 0.00 C ATOM 202 C ARG A 15 6.316 3.725 3.736 1.00 0.00 C ATOM 203 O ARG A 15 5.795 4.602 4.429 1.00 0.00 O ATOM 204 CB ARG A 15 8.112 5.007 2.528 1.00 0.00 C ATOM 205 CG ARG A 15 8.692 5.475 1.198 1.00 0.00 C ATOM 206 CD ARG A 15 9.909 6.365 1.397 1.00 0.00 C ATOM 207 NE ARG A 15 10.403 6.918 0.131 1.00 0.00 N ATOM 208 CZ ARG A 15 11.673 7.272 -0.083 1.00 0.00 C ATOM 209 NH1 ARG A 15 12.587 7.077 0.857 1.00 0.00 N ATOM 210 NH2 ARG A 15 12.035 7.810 -1.241 1.00 0.00 N ATOM 0 H ARG A 15 5.596 5.609 1.901 1.00 0.00 H new ATOM 0 HA ARG A 15 7.277 3.159 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.808 5.878 3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.892 4.501 3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.969 4.609 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.930 6.020 0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.654 7.181 2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.703 5.791 1.875 1.00 0.00 H new ATOM 0 HE ARG A 15 9.737 7.039 -0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.321 6.655 1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.556 7.348 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.341 7.956 -1.975 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.007 8.078 -1.397 1.00 0.00 H new ATOM 224 N HIS A 16 6.356 2.460 4.102 1.00 0.00 N ATOM 225 CA HIS A 16 5.675 2.013 5.308 1.00 0.00 C ATOM 226 C HIS A 16 6.515 1.008 6.075 1.00 0.00 C ATOM 227 O HIS A 16 7.340 0.301 5.501 1.00 0.00 O ATOM 228 CB HIS A 16 4.285 1.424 4.976 1.00 0.00 C ATOM 229 CG HIS A 16 4.280 0.214 4.090 1.00 0.00 C ATOM 230 ND1 HIS A 16 5.167 -0.225 3.166 1.00 0.00 N flip ATOM 231 CD2 HIS A 16 3.241 -0.693 4.076 1.00 0.00 C flip ATOM 232 CE1 HIS A 16 4.654 -1.375 2.620 1.00 0.00 C flip ATOM 233 NE2 HIS A 16 3.493 -1.636 3.187 1.00 0.00 N flip ATOM 0 H HIS A 16 6.847 1.727 3.590 1.00 0.00 H new ATOM 0 HA HIS A 16 5.530 2.885 5.946 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.788 1.167 5.911 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.687 2.201 4.500 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.358 -0.640 4.696 1.00 0.00 H new ATOM 0 HE1 HIS A 16 5.125 -1.969 1.851 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.891 -2.432 2.975 1.00 0.00 H new ATOM 242 N ASN A 17 6.283 0.955 7.375 1.00 0.00 N ATOM 243 CA ASN A 17 6.985 0.034 8.245 1.00 0.00 C ATOM 244 C ASN A 17 6.543 -1.384 7.918 1.00 0.00 C ATOM 245 O ASN A 17 5.387 -1.598 7.532 1.00 0.00 O ATOM 246 CB ASN A 17 6.708 0.392 9.715 1.00 0.00 C ATOM 247 CG ASN A 17 6.213 -0.778 10.548 1.00 0.00 C ATOM 248 OD1 ASN A 17 5.017 -1.051 10.594 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.118 -1.465 11.228 1.00 0.00 N ATOM 0 H ASN A 17 5.605 1.548 7.854 1.00 0.00 H new ATOM 0 HA ASN A 17 8.061 0.106 8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.622 0.784 10.162 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.967 1.191 9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.829 -2.249 11.813 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.104 -1.210 11.166 1.00 0.00 H new ATOM 256 N ILE A 18 7.477 -2.329 8.070 1.00 0.00 N ATOM 257 CA ILE A 18 7.327 -3.713 7.594 1.00 0.00 C ATOM 258 C ILE A 18 6.017 -4.366 8.020 1.00 0.00 C ATOM 259 O ILE A 18 5.529 -5.274 7.353 1.00 0.00 O ATOM 260 CB ILE A 18 8.500 -4.600 8.070 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.578 -4.621 9.600 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.809 -4.105 7.472 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.613 -5.581 10.148 1.00 0.00 C ATOM 0 H ILE A 18 8.370 -2.155 8.532 1.00 0.00 H new ATOM 0 HA ILE A 18 7.325 -3.640 6.506 1.00 0.00 H new ATOM 0 HB ILE A 18 8.325 -5.620 7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.804 -3.616 9.956 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.600 -4.889 10.000 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.628 -4.738 7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.750 -4.145 6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.988 -3.077 7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.608 -5.539 11.237 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.377 -6.594 9.823 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.600 -5.302 9.779 1.00 0.00 H new ATOM 275 N GLU A 19 5.451 -3.889 9.114 1.00 0.00 N ATOM 276 CA GLU A 19 4.215 -4.437 9.644 1.00 0.00 C ATOM 277 C GLU A 19 3.015 -3.987 8.821 1.00 0.00 C ATOM 278 O GLU A 19 1.910 -4.489 8.998 1.00 0.00 O ATOM 279 CB GLU A 19 4.065 -4.008 11.098 1.00 0.00 C ATOM 280 CG GLU A 19 5.193 -4.521 11.968 1.00 0.00 C ATOM 281 CD GLU A 19 5.288 -3.810 13.298 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.508 -4.135 14.209 1.00 0.00 O ATOM 283 OE2 GLU A 19 6.154 -2.924 13.431 1.00 0.00 O ATOM 0 H GLU A 19 5.833 -3.115 9.658 1.00 0.00 H new ATOM 0 HA GLU A 19 4.255 -5.525 9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.034 -2.920 11.152 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.114 -4.374 11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.053 -5.588 12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.136 -4.407 11.434 1.00 0.00 H new ATOM 290 N GLY A 20 3.242 -3.048 7.915 1.00 0.00 N ATOM 291 CA GLY A 20 2.177 -2.555 7.076 1.00 0.00 C ATOM 292 C GLY A 20 1.711 -1.174 7.492 1.00 0.00 C ATOM 293 O GLY A 20 0.711 -0.677 6.974 1.00 0.00 O ATOM 0 H GLY A 20 4.152 -2.618 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.517 -2.525 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.336 -3.247 7.115 1.00 0.00 H new ATOM 297 N ILE A 21 2.446 -0.546 8.405 1.00 0.00 N ATOM 298 CA ILE A 21 2.040 0.749 8.955 1.00 0.00 C ATOM 299 C ILE A 21 2.577 1.881 8.092 1.00 0.00 C ATOM 300 O ILE A 21 3.784 1.992 7.900 1.00 0.00 O ATOM 301 CB ILE A 21 2.550 0.939 10.403 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.033 -0.183 11.307 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.132 2.301 10.945 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.525 -0.204 11.455 1.00 0.00 C ATOM 0 H ILE A 21 3.323 -0.909 8.780 1.00 0.00 H new ATOM 0 HA ILE A 21 0.950 0.769 8.963 1.00 0.00 H new ATOM 0 HB ILE A 21 3.639 0.895 10.391 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.363 -1.141 10.905 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.484 -0.079 12.294 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.500 2.415 11.965 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.552 3.087 10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.045 2.376 10.941 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.235 -1.026 12.109 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.189 0.739 11.886 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.065 -0.340 10.476 1.00 0.00 H new ATOM 316 N PHE A 22 1.687 2.719 7.582 1.00 0.00 N ATOM 317 CA PHE A 22 2.081 3.794 6.680 1.00 0.00 C ATOM 318 C PHE A 22 2.879 4.867 7.411 1.00 0.00 C ATOM 319 O PHE A 22 2.442 5.396 8.435 1.00 0.00 O ATOM 320 CB PHE A 22 0.850 4.408 6.016 1.00 0.00 C ATOM 321 CG PHE A 22 0.160 3.470 5.070 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.643 3.293 3.785 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.964 2.766 5.461 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.018 2.434 2.905 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.596 1.904 4.586 1.00 0.00 C ATOM 326 CZ PHE A 22 -1.104 1.737 3.306 1.00 0.00 C ATOM 0 H PHE A 22 0.687 2.676 7.777 1.00 0.00 H new ATOM 0 HA PHE A 22 2.722 3.366 5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.146 4.719 6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.147 5.306 5.475 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.521 3.835 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.352 2.891 6.461 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.405 2.307 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.474 1.361 4.902 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.596 1.063 2.621 1.00 0.00 H new ATOM 336 N THR A 23 4.060 5.165 6.881 1.00 0.00 N ATOM 337 CA THR A 23 4.927 6.185 7.453 1.00 0.00 C ATOM 338 C THR A 23 4.988 7.410 6.539 1.00 0.00 C ATOM 339 O THR A 23 4.985 8.551 7.004 1.00 0.00 O ATOM 340 CB THR A 23 6.347 5.626 7.680 1.00 0.00 C ATOM 341 OG1 THR A 23 6.268 4.380 8.391 1.00 0.00 O ATOM 342 CG2 THR A 23 7.203 6.610 8.465 1.00 0.00 C ATOM 0 H THR A 23 4.440 4.710 6.051 1.00 0.00 H new ATOM 0 HA THR A 23 4.511 6.484 8.415 1.00 0.00 H new ATOM 0 HB THR A 23 6.812 5.467 6.707 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.171 4.026 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.198 6.191 8.611 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.281 7.546 7.912 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.743 6.799 9.435 1.00 0.00 H new ATOM 350 N PHE A 24 5.029 7.169 5.234 1.00 0.00 N ATOM 351 CA PHE A 24 5.037 8.244 4.251 1.00 0.00 C ATOM 352 C PHE A 24 4.191 7.865 3.039 1.00 0.00 C ATOM 353 O PHE A 24 4.307 6.758 2.515 1.00 0.00 O ATOM 354 CB PHE A 24 6.472 8.561 3.817 1.00 0.00 C ATOM 355 CG PHE A 24 6.561 9.571 2.708 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.271 10.905 2.942 1.00 0.00 C ATOM 357 CD2 PHE A 24 6.929 9.182 1.429 1.00 0.00 C ATOM 358 CE1 PHE A 24 6.349 11.833 1.921 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.007 10.106 0.405 1.00 0.00 C ATOM 360 CZ PHE A 24 6.716 11.433 0.651 1.00 0.00 C ATOM 0 H PHE A 24 5.057 6.232 4.831 1.00 0.00 H new ATOM 0 HA PHE A 24 4.607 9.134 4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.029 8.931 4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.957 7.639 3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.981 11.223 3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.157 8.145 1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.123 12.871 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.295 9.791 -0.587 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.775 12.157 -0.148 1.00 0.00 H new ATOM 370 N VAL A 25 3.331 8.778 2.610 1.00 0.00 N ATOM 371 CA VAL A 25 2.478 8.547 1.451 1.00 0.00 C ATOM 372 C VAL A 25 2.555 9.722 0.482 1.00 0.00 C ATOM 373 O VAL A 25 2.565 10.881 0.898 1.00 0.00 O ATOM 374 CB VAL A 25 1.005 8.342 1.867 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.117 8.195 0.644 1.00 0.00 C ATOM 376 CG2 VAL A 25 0.864 7.132 2.778 1.00 0.00 C ATOM 0 H VAL A 25 3.205 9.690 3.049 1.00 0.00 H new ATOM 0 HA VAL A 25 2.840 7.642 0.963 1.00 0.00 H new ATOM 0 HB VAL A 25 0.684 9.225 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.916 8.052 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.188 9.095 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.441 7.333 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.182 7.007 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.208 6.240 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.465 7.280 3.675 1.00 0.00 H new ATOM 386 N ASP A 26 2.624 9.418 -0.809 1.00 0.00 N ATOM 387 CA ASP A 26 2.597 10.436 -1.851 1.00 0.00 C ATOM 388 C ASP A 26 1.176 10.972 -2.046 1.00 0.00 C ATOM 389 O ASP A 26 0.194 10.257 -1.845 1.00 0.00 O ATOM 390 CB ASP A 26 3.127 9.851 -3.165 1.00 0.00 C ATOM 391 CG ASP A 26 3.145 10.864 -4.290 1.00 0.00 C ATOM 392 OD1 ASP A 26 2.106 11.035 -4.956 1.00 0.00 O ATOM 393 OD2 ASP A 26 4.201 11.486 -4.519 1.00 0.00 O ATOM 0 H ASP A 26 2.700 8.464 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 26 3.236 11.264 -1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.136 9.471 -3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.508 9.002 -3.456 1.00 0.00 H new ATOM 398 N HIS A 27 1.092 12.243 -2.437 1.00 0.00 N ATOM 399 CA HIS A 27 -0.176 12.977 -2.551 1.00 0.00 C ATOM 400 C HIS A 27 -1.156 12.334 -3.523 1.00 0.00 C ATOM 401 O HIS A 27 -2.346 12.650 -3.496 1.00 0.00 O ATOM 402 CB HIS A 27 0.095 14.414 -2.987 1.00 0.00 C ATOM 403 CG HIS A 27 0.933 15.196 -2.023 1.00 0.00 C ATOM 404 ND1 HIS A 27 0.835 15.335 -0.680 1.00 0.00 N flip ATOM 405 CD2 HIS A 27 2.016 15.955 -2.405 1.00 0.00 C flip ATOM 406 CE1 HIS A 27 1.853 16.168 -0.280 1.00 0.00 C flip ATOM 407 NE2 HIS A 27 2.549 16.526 -1.342 1.00 0.00 N flip ATOM 0 H HIS A 27 1.908 12.801 -2.687 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.639 12.954 -1.564 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.592 14.401 -3.957 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.857 14.927 -3.124 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.374 16.066 -3.418 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.050 16.478 0.736 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.363 17.141 -1.341 1.00 0.00 H new ATOM 416 N ARG A 28 -0.671 11.433 -4.369 1.00 0.00 N ATOM 417 CA ARG A 28 -1.533 10.701 -5.294 1.00 0.00 C ATOM 418 C ARG A 28 -2.451 9.730 -4.547 1.00 0.00 C ATOM 419 O ARG A 28 -3.257 9.022 -5.154 1.00 0.00 O ATOM 420 CB ARG A 28 -0.684 9.955 -6.321 1.00 0.00 C ATOM 421 CG ARG A 28 -0.049 10.872 -7.354 1.00 0.00 C ATOM 422 CD ARG A 28 1.014 10.157 -8.173 1.00 0.00 C ATOM 423 NE ARG A 28 2.252 9.972 -7.417 1.00 0.00 N ATOM 424 CZ ARG A 28 3.275 9.224 -7.829 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.169 8.506 -8.941 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.399 9.184 -7.121 1.00 0.00 N ATOM 0 H ARG A 28 0.317 11.190 -4.435 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.166 11.421 -5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.101 9.404 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.306 9.219 -6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.821 11.258 -8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.397 11.730 -6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.635 9.186 -8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.223 10.730 -9.077 1.00 0.00 H new ATOM 0 HE ARG A 28 2.338 10.445 -6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.304 8.527 -9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.953 7.934 -9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.480 9.726 -6.261 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.181 8.611 -7.438 1.00 0.00 H new ATOM 440 N CYS A 29 -2.320 9.711 -3.223 1.00 0.00 N ATOM 441 CA CYS A 29 -3.175 8.906 -2.362 1.00 0.00 C ATOM 442 C CYS A 29 -4.646 9.275 -2.546 1.00 0.00 C ATOM 443 O CYS A 29 -5.518 8.403 -2.561 1.00 0.00 O ATOM 444 CB CYS A 29 -2.760 9.088 -0.902 1.00 0.00 C ATOM 445 SG CYS A 29 -3.555 7.940 0.247 1.00 0.00 S ATOM 0 H CYS A 29 -1.618 10.253 -2.719 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.056 7.859 -2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.679 8.969 -0.826 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.991 10.108 -0.596 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.000 8.044 1.418 1.00 0.00 H new ATOM 451 N VAL A 30 -4.917 10.563 -2.719 1.00 0.00 N ATOM 452 CA VAL A 30 -6.287 11.043 -2.845 1.00 0.00 C ATOM 453 C VAL A 30 -6.913 10.596 -4.153 1.00 0.00 C ATOM 454 O VAL A 30 -8.117 10.357 -4.233 1.00 0.00 O ATOM 455 CB VAL A 30 -6.376 12.577 -2.737 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.937 13.030 -1.362 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.541 13.257 -3.813 1.00 0.00 C ATOM 0 H VAL A 30 -4.207 11.293 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.840 10.605 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.416 12.867 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.004 14.116 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.583 12.581 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.907 12.719 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.625 14.339 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.497 12.962 -3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.902 12.958 -4.797 1.00 0.00 H new ATOM 467 N ALA A 31 -6.094 10.462 -5.175 1.00 0.00 N ATOM 468 CA ALA A 31 -6.594 10.039 -6.467 1.00 0.00 C ATOM 469 C ALA A 31 -6.840 8.542 -6.477 1.00 0.00 C ATOM 470 O ALA A 31 -7.925 8.082 -6.830 1.00 0.00 O ATOM 471 CB ALA A 31 -5.619 10.417 -7.555 1.00 0.00 C ATOM 0 H ALA A 31 -5.090 10.637 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.540 10.546 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.008 10.093 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.484 11.499 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.660 9.933 -7.369 1.00 0.00 H new ATOM 477 N THR A 32 -5.824 7.790 -6.082 1.00 0.00 N ATOM 478 CA THR A 32 -5.917 6.343 -6.014 1.00 0.00 C ATOM 479 C THR A 32 -7.007 5.866 -5.055 1.00 0.00 C ATOM 480 O THR A 32 -7.889 5.101 -5.446 1.00 0.00 O ATOM 481 CB THR A 32 -4.574 5.745 -5.573 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.501 6.462 -6.196 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.485 4.277 -5.951 1.00 0.00 C ATOM 0 H THR A 32 -4.918 8.164 -5.801 1.00 0.00 H new ATOM 0 HA THR A 32 -6.178 6.002 -7.016 1.00 0.00 H new ATOM 0 HB THR A 32 -4.498 5.831 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.336 7.295 -5.706 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.524 3.876 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.290 3.727 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.576 4.174 -7.032 1.00 0.00 H new ATOM 491 N VAL A 33 -6.962 6.315 -3.802 1.00 0.00 N ATOM 492 CA VAL A 33 -7.837 5.749 -2.779 1.00 0.00 C ATOM 493 C VAL A 33 -8.548 6.823 -1.955 1.00 0.00 C ATOM 494 O VAL A 33 -9.147 6.528 -0.926 1.00 0.00 O ATOM 495 CB VAL A 33 -7.055 4.807 -1.837 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.484 3.636 -2.617 1.00 0.00 C ATOM 497 CG2 VAL A 33 -5.946 5.557 -1.112 1.00 0.00 C ATOM 0 H VAL A 33 -6.341 7.055 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.598 5.178 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.748 4.424 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.936 2.981 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.296 3.078 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.809 4.007 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.411 4.870 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.253 5.976 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.379 6.363 -0.519 1.00 0.00 H new ATOM 507 N GLY A 34 -8.466 8.068 -2.396 1.00 0.00 N ATOM 508 CA GLY A 34 -9.226 9.130 -1.758 1.00 0.00 C ATOM 509 C GLY A 34 -8.628 9.631 -0.445 1.00 0.00 C ATOM 510 O GLY A 34 -8.972 10.721 0.018 1.00 0.00 O ATOM 0 H GLY A 34 -7.889 8.365 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.307 9.968 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.239 8.773 -1.569 1.00 0.00 H new ATOM 514 N TYR A 35 -7.750 8.847 0.167 1.00 0.00 N ATOM 515 CA TYR A 35 -7.162 9.236 1.444 1.00 0.00 C ATOM 516 C TYR A 35 -6.112 10.314 1.258 1.00 0.00 C ATOM 517 O TYR A 35 -5.421 10.358 0.247 1.00 0.00 O ATOM 518 CB TYR A 35 -6.507 8.051 2.160 1.00 0.00 C ATOM 519 CG TYR A 35 -7.449 6.927 2.518 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.740 7.186 2.956 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.034 5.604 2.439 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.595 6.159 3.301 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.883 4.570 2.780 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.161 4.854 3.213 1.00 0.00 C ATOM 525 OH TYR A 35 -10.006 3.828 3.558 1.00 0.00 O ATOM 0 H TYR A 35 -7.431 7.948 -0.194 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.984 9.614 2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.715 7.654 1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.033 8.413 3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.081 8.208 3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.031 5.380 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.598 6.377 3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.548 3.546 2.708 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.706 3.426 4.400 1.00 0.00 H new ATOM 535 N GLN A 36 -5.995 11.168 2.251 1.00 0.00 N ATOM 536 CA GLN A 36 -4.902 12.114 2.314 1.00 0.00 C ATOM 537 C GLN A 36 -3.737 11.396 2.966 1.00 0.00 C ATOM 538 O GLN A 36 -3.960 10.644 3.909 1.00 0.00 O ATOM 539 CB GLN A 36 -5.302 13.339 3.145 1.00 0.00 C ATOM 540 CG GLN A 36 -6.687 13.880 2.810 1.00 0.00 C ATOM 541 CD GLN A 36 -6.674 14.998 1.795 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.558 15.850 1.780 1.00 0.00 O ATOM 543 NE2 GLN A 36 -5.659 15.037 0.963 1.00 0.00 N ATOM 0 H GLN A 36 -6.649 11.227 3.032 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.636 12.467 1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.270 13.076 4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.566 14.128 2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.304 13.065 2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.159 14.238 3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.941 14.314 1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.589 15.790 0.279 1.00 0.00 H new ATOM 552 N PRO A 37 -2.508 11.566 2.459 1.00 0.00 N ATOM 553 CA PRO A 37 -1.331 10.868 2.987 1.00 0.00 C ATOM 554 C PRO A 37 -1.326 10.805 4.513 1.00 0.00 C ATOM 555 O PRO A 37 -1.210 9.728 5.099 1.00 0.00 O ATOM 556 CB PRO A 37 -0.178 11.724 2.481 1.00 0.00 C ATOM 557 CG PRO A 37 -0.668 12.279 1.188 1.00 0.00 C ATOM 558 CD PRO A 37 -2.162 12.435 1.322 1.00 0.00 C ATOM 0 HA PRO A 37 -1.287 9.827 2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.067 12.518 3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.726 11.131 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.196 13.238 0.975 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.421 11.612 0.362 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.440 13.472 1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.679 12.128 0.413 1.00 0.00 H new ATOM 566 N GLN A 38 -1.516 11.967 5.129 1.00 0.00 N ATOM 567 CA GLN A 38 -1.551 12.092 6.582 1.00 0.00 C ATOM 568 C GLN A 38 -2.621 11.191 7.203 1.00 0.00 C ATOM 569 O GLN A 38 -2.364 10.519 8.198 1.00 0.00 O ATOM 570 CB GLN A 38 -1.810 13.548 6.964 1.00 0.00 C ATOM 571 CG GLN A 38 -0.846 14.523 6.311 1.00 0.00 C ATOM 572 CD GLN A 38 -1.074 15.953 6.748 1.00 0.00 C ATOM 573 OE1 GLN A 38 -2.194 16.341 7.075 1.00 0.00 O ATOM 574 NE2 GLN A 38 -0.014 16.744 6.765 1.00 0.00 N ATOM 0 H GLN A 38 -1.650 12.849 4.635 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.584 11.773 6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.829 13.814 6.684 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.740 13.650 8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.177 14.233 6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.949 14.458 5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.898 16.381 6.486 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.108 17.717 7.057 1.00 0.00 H new ATOM 583 N GLU A 39 -3.801 11.153 6.587 1.00 0.00 N ATOM 584 CA GLU A 39 -4.932 10.386 7.112 1.00 0.00 C ATOM 585 C GLU A 39 -4.591 8.904 7.167 1.00 0.00 C ATOM 586 O GLU A 39 -5.049 8.170 8.048 1.00 0.00 O ATOM 587 CB GLU A 39 -6.165 10.580 6.225 1.00 0.00 C ATOM 588 CG GLU A 39 -6.617 12.023 6.089 1.00 0.00 C ATOM 589 CD GLU A 39 -7.207 12.581 7.366 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.300 12.130 7.765 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.598 13.489 7.957 1.00 0.00 O ATOM 0 H GLU A 39 -4.001 11.648 5.718 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.146 10.747 8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.950 10.184 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.987 9.991 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.768 12.637 5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.358 12.092 5.292 1.00 0.00 H new ATOM 598 N LEU A 40 -3.784 8.473 6.210 1.00 0.00 N ATOM 599 CA LEU A 40 -3.404 7.080 6.100 1.00 0.00 C ATOM 600 C LEU A 40 -2.265 6.769 7.067 1.00 0.00 C ATOM 601 O LEU A 40 -2.127 5.640 7.538 1.00 0.00 O ATOM 602 CB LEU A 40 -2.996 6.781 4.657 1.00 0.00 C ATOM 603 CG LEU A 40 -2.900 5.302 4.288 1.00 0.00 C ATOM 604 CD1 LEU A 40 -4.221 4.602 4.551 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.510 5.152 2.828 1.00 0.00 C ATOM 0 H LEU A 40 -3.379 9.076 5.495 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.250 6.446 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.715 7.257 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.029 7.247 4.468 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.133 4.839 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.135 3.549 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.474 4.687 5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.004 5.066 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.444 4.094 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.262 5.629 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.543 5.626 2.659 1.00 0.00 H new ATOM 617 N LEU A 41 -1.456 7.787 7.362 1.00 0.00 N ATOM 618 CA LEU A 41 -0.353 7.646 8.305 1.00 0.00 C ATOM 619 C LEU A 41 -0.876 7.258 9.682 1.00 0.00 C ATOM 620 O LEU A 41 -1.642 8.000 10.298 1.00 0.00 O ATOM 621 CB LEU A 41 0.451 8.948 8.402 1.00 0.00 C ATOM 622 CG LEU A 41 0.971 9.496 7.070 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.816 10.739 7.294 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.765 8.437 6.323 1.00 0.00 C ATOM 0 H LEU A 41 -1.547 8.720 6.959 1.00 0.00 H new ATOM 0 HA LEU A 41 0.304 6.857 7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.175 9.708 8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.301 8.783 9.065 1.00 0.00 H new ATOM 0 HG LEU A 41 0.112 9.771 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.176 11.112 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.213 11.506 7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.667 10.491 7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.124 8.849 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.615 8.124 6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.126 7.577 6.123 1.00 0.00 H new ATOM 636 N GLY A 42 -0.476 6.088 10.147 1.00 0.00 N ATOM 637 CA GLY A 42 -0.925 5.612 11.438 1.00 0.00 C ATOM 638 C GLY A 42 -1.726 4.334 11.320 1.00 0.00 C ATOM 639 O GLY A 42 -1.736 3.513 12.238 1.00 0.00 O ATOM 0 H GLY A 42 0.154 5.456 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.062 5.442 12.082 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.534 6.379 11.916 1.00 0.00 H new ATOM 643 N LYS A 43 -2.385 4.153 10.183 1.00 0.00 N ATOM 644 CA LYS A 43 -3.167 2.957 9.939 1.00 0.00 C ATOM 645 C LYS A 43 -2.312 1.899 9.265 1.00 0.00 C ATOM 646 O LYS A 43 -1.309 2.211 8.617 1.00 0.00 O ATOM 647 CB LYS A 43 -4.358 3.283 9.037 1.00 0.00 C ATOM 648 CG LYS A 43 -5.396 4.207 9.656 1.00 0.00 C ATOM 649 CD LYS A 43 -6.288 3.482 10.653 1.00 0.00 C ATOM 650 CE LYS A 43 -5.624 3.334 12.011 1.00 0.00 C ATOM 651 NZ LYS A 43 -6.468 2.548 12.949 1.00 0.00 N ATOM 0 H LYS A 43 -2.391 4.824 9.415 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.525 2.579 10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.986 3.740 8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.846 2.351 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.892 5.034 10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.012 4.639 8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.224 4.029 10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.539 2.496 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.657 2.844 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.432 4.321 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.220 2.794 13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.471 2.767 12.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.305 1.532 12.795 1.00 0.00 H new ATOM 665 N ASN A 44 -2.699 0.648 9.440 1.00 0.00 N ATOM 666 CA ASN A 44 -2.094 -0.443 8.700 1.00 0.00 C ATOM 667 C ASN A 44 -2.829 -0.604 7.380 1.00 0.00 C ATOM 668 O ASN A 44 -4.045 -0.427 7.314 1.00 0.00 O ATOM 669 CB ASN A 44 -2.204 -1.756 9.473 1.00 0.00 C ATOM 670 CG ASN A 44 -1.205 -2.791 8.992 1.00 0.00 C ATOM 671 OD1 ASN A 44 -1.402 -3.420 7.955 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.138 -2.999 9.750 1.00 0.00 N ATOM 0 H ASN A 44 -3.431 0.363 10.090 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.041 -0.212 8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.044 -1.565 10.534 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.214 -2.153 9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.552 -3.700 9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.006 -2.458 10.605 1.00 0.00 H new ATOM 679 N ILE A 45 -2.088 -0.947 6.336 1.00 0.00 N ATOM 680 CA ILE A 45 -2.680 -1.230 5.033 1.00 0.00 C ATOM 681 C ILE A 45 -3.701 -2.374 5.128 1.00 0.00 C ATOM 682 O ILE A 45 -4.631 -2.454 4.327 1.00 0.00 O ATOM 683 CB ILE A 45 -1.582 -1.582 3.999 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.186 -1.826 2.612 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.786 -2.796 4.458 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.151 -2.062 1.532 1.00 0.00 C ATOM 0 H ILE A 45 -1.072 -1.037 6.365 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.200 -0.331 4.701 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.905 -0.731 3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.851 -2.689 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.798 -0.967 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.019 -3.029 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.313 -2.580 5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.455 -3.650 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.652 -2.227 0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.501 -1.191 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.554 -2.938 1.785 1.00 0.00 H new ATOM 698 N VAL A 46 -3.540 -3.238 6.129 1.00 0.00 N ATOM 699 CA VAL A 46 -4.447 -4.360 6.323 1.00 0.00 C ATOM 700 C VAL A 46 -5.801 -3.874 6.846 1.00 0.00 C ATOM 701 O VAL A 46 -6.823 -4.527 6.645 1.00 0.00 O ATOM 702 CB VAL A 46 -3.856 -5.415 7.297 1.00 0.00 C ATOM 703 CG1 VAL A 46 -3.978 -4.970 8.749 1.00 0.00 C ATOM 704 CG2 VAL A 46 -4.514 -6.768 7.094 1.00 0.00 C ATOM 0 H VAL A 46 -2.789 -3.180 6.816 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.585 -4.835 5.352 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.794 -5.510 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.554 -5.734 9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.439 -4.033 8.889 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.029 -4.824 8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.083 -7.490 7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.585 -6.683 7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.347 -7.104 6.071 1.00 0.00 H new ATOM 714 N GLU A 47 -5.807 -2.700 7.484 1.00 0.00 N ATOM 715 CA GLU A 47 -7.034 -2.142 8.047 1.00 0.00 C ATOM 716 C GLU A 47 -7.948 -1.635 6.937 1.00 0.00 C ATOM 717 O GLU A 47 -9.150 -1.452 7.136 1.00 0.00 O ATOM 718 CB GLU A 47 -6.714 -1.008 9.026 1.00 0.00 C ATOM 719 CG GLU A 47 -5.881 -1.454 10.216 1.00 0.00 C ATOM 720 CD GLU A 47 -5.641 -0.343 11.217 1.00 0.00 C ATOM 721 OE1 GLU A 47 -6.615 0.112 11.852 1.00 0.00 O ATOM 722 OE2 GLU A 47 -4.476 0.070 11.384 1.00 0.00 O ATOM 0 H GLU A 47 -4.978 -2.122 7.622 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.549 -2.934 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.182 -0.219 8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.647 -0.576 9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.383 -2.283 10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.921 -1.830 9.861 1.00 0.00 H new ATOM 729 N PHE A 48 -7.364 -1.408 5.770 1.00 0.00 N ATOM 730 CA PHE A 48 -8.124 -0.981 4.610 1.00 0.00 C ATOM 731 C PHE A 48 -8.009 -2.006 3.502 1.00 0.00 C ATOM 732 O PHE A 48 -8.283 -1.720 2.337 1.00 0.00 O ATOM 733 CB PHE A 48 -7.658 0.386 4.130 1.00 0.00 C ATOM 734 CG PHE A 48 -7.806 1.438 5.180 1.00 0.00 C ATOM 735 CD1 PHE A 48 -9.064 1.800 5.631 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.694 2.047 5.729 1.00 0.00 C ATOM 737 CE1 PHE A 48 -9.209 2.758 6.611 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.833 3.004 6.709 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.093 3.358 7.151 1.00 0.00 C ATOM 0 H PHE A 48 -6.363 -1.513 5.603 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.172 -0.896 4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.613 0.325 3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.231 0.673 3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.940 1.327 5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.708 1.770 5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.194 3.037 6.954 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.959 3.477 7.131 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.203 4.107 7.922 1.00 0.00 H new ATOM 749 N CYS A 49 -7.586 -3.199 3.879 1.00 0.00 N ATOM 750 CA CYS A 49 -7.566 -4.318 2.960 1.00 0.00 C ATOM 751 C CYS A 49 -8.794 -5.190 3.173 1.00 0.00 C ATOM 752 O CYS A 49 -9.148 -5.506 4.311 1.00 0.00 O ATOM 753 CB CYS A 49 -6.300 -5.150 3.153 1.00 0.00 C ATOM 754 SG CYS A 49 -6.214 -6.608 2.085 1.00 0.00 S ATOM 0 H CYS A 49 -7.251 -3.416 4.818 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.575 -3.928 1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.430 -4.521 2.963 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.242 -5.469 4.194 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.748 -6.266 0.921 1.00 0.00 H new ATOM 760 N HIS A 50 -9.456 -5.527 2.070 1.00 0.00 N ATOM 761 CA HIS A 50 -10.582 -6.455 2.083 1.00 0.00 C ATOM 762 C HIS A 50 -10.233 -7.694 2.909 1.00 0.00 C ATOM 763 O HIS A 50 -9.242 -8.365 2.637 1.00 0.00 O ATOM 764 CB HIS A 50 -10.946 -6.834 0.638 1.00 0.00 C ATOM 765 CG HIS A 50 -12.013 -7.880 0.507 1.00 0.00 C ATOM 766 ND1 HIS A 50 -13.258 -7.774 1.085 1.00 0.00 N ATOM 767 CD2 HIS A 50 -12.008 -9.068 -0.145 1.00 0.00 C ATOM 768 CE1 HIS A 50 -13.967 -8.849 0.802 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.233 -9.645 0.056 1.00 0.00 N ATOM 0 H HIS A 50 -9.228 -5.165 1.144 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.446 -5.979 2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -11.272 -5.936 0.114 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.047 -7.188 0.134 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.190 -9.482 -0.716 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.978 -9.043 1.127 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.529 -10.548 -0.314 1.00 0.00 H new ATOM 778 N PRO A 51 -11.053 -7.994 3.939 1.00 0.00 N ATOM 779 CA PRO A 51 -10.788 -9.055 4.927 1.00 0.00 C ATOM 780 C PRO A 51 -10.418 -10.412 4.326 1.00 0.00 C ATOM 781 O PRO A 51 -9.768 -11.225 4.981 1.00 0.00 O ATOM 782 CB PRO A 51 -12.106 -9.172 5.709 1.00 0.00 C ATOM 783 CG PRO A 51 -13.097 -8.341 4.963 1.00 0.00 C ATOM 784 CD PRO A 51 -12.305 -7.291 4.246 1.00 0.00 C ATOM 0 HA PRO A 51 -9.921 -8.790 5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.433 -10.210 5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.987 -8.814 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.664 -8.950 4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.817 -7.888 5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.810 -6.948 3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.136 -6.413 4.870 1.00 0.00 H new ATOM 792 N GLU A 52 -10.812 -10.657 3.086 1.00 0.00 N ATOM 793 CA GLU A 52 -10.537 -11.935 2.451 1.00 0.00 C ATOM 794 C GLU A 52 -9.172 -11.935 1.766 1.00 0.00 C ATOM 795 O GLU A 52 -8.718 -12.968 1.280 1.00 0.00 O ATOM 796 CB GLU A 52 -11.630 -12.277 1.445 1.00 0.00 C ATOM 797 CG GLU A 52 -13.017 -12.342 2.058 1.00 0.00 C ATOM 798 CD GLU A 52 -14.084 -12.693 1.044 1.00 0.00 C ATOM 799 OE1 GLU A 52 -14.077 -12.099 -0.052 1.00 0.00 O ATOM 800 OE2 GLU A 52 -14.930 -13.558 1.340 1.00 0.00 O ATOM 0 H GLU A 52 -11.320 -9.992 2.503 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.523 -12.696 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.627 -11.532 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.400 -13.237 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.023 -13.083 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.255 -11.380 2.513 1.00 0.00 H new ATOM 807 N ASP A 53 -8.515 -10.778 1.736 1.00 0.00 N ATOM 808 CA ASP A 53 -7.222 -10.647 1.072 1.00 0.00 C ATOM 809 C ASP A 53 -6.115 -10.437 2.100 1.00 0.00 C ATOM 810 O ASP A 53 -4.947 -10.636 1.808 1.00 0.00 O ATOM 811 CB ASP A 53 -7.222 -9.472 0.087 1.00 0.00 C ATOM 812 CG ASP A 53 -8.194 -9.654 -1.058 1.00 0.00 C ATOM 813 OD1 ASP A 53 -7.982 -10.561 -1.885 1.00 0.00 O ATOM 814 OD2 ASP A 53 -9.172 -8.881 -1.143 1.00 0.00 O ATOM 0 H ASP A 53 -8.857 -9.918 2.164 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.041 -11.570 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.470 -8.556 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.217 -9.343 -0.315 1.00 0.00 H new ATOM 819 N GLN A 54 -6.506 -10.045 3.307 1.00 0.00 N ATOM 820 CA GLN A 54 -5.578 -9.758 4.394 1.00 0.00 C ATOM 821 C GLN A 54 -4.623 -10.925 4.654 1.00 0.00 C ATOM 822 O GLN A 54 -3.497 -10.716 5.091 1.00 0.00 O ATOM 823 CB GLN A 54 -6.361 -9.432 5.669 1.00 0.00 C ATOM 824 CG GLN A 54 -7.386 -8.323 5.483 1.00 0.00 C ATOM 825 CD GLN A 54 -8.140 -7.993 6.757 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.322 -8.842 7.630 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.610 -6.760 6.862 1.00 0.00 N ATOM 0 H GLN A 54 -7.485 -9.916 3.561 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.975 -8.899 4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.870 -10.332 6.014 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.661 -9.141 6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.882 -7.426 5.123 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.098 -8.619 4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.439 -6.084 6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.143 -6.486 7.687 1.00 0.00 H new ATOM 836 N GLN A 55 -5.065 -12.147 4.379 1.00 0.00 N ATOM 837 CA GLN A 55 -4.215 -13.314 4.583 1.00 0.00 C ATOM 838 C GLN A 55 -3.133 -13.418 3.515 1.00 0.00 C ATOM 839 O GLN A 55 -1.957 -13.589 3.842 1.00 0.00 O ATOM 840 CB GLN A 55 -5.037 -14.598 4.631 1.00 0.00 C ATOM 841 CG GLN A 55 -5.624 -14.880 6.003 1.00 0.00 C ATOM 842 CD GLN A 55 -4.577 -14.866 7.112 1.00 0.00 C ATOM 843 OE1 GLN A 55 -4.874 -14.512 8.248 1.00 0.00 O ATOM 844 NE2 GLN A 55 -3.351 -15.263 6.800 1.00 0.00 N ATOM 0 H GLN A 55 -5.996 -12.354 4.018 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.724 -13.183 5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.846 -14.532 3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.408 -15.436 4.333 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.390 -14.137 6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.117 -15.852 5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.136 -15.551 5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.623 -15.280 7.514 1.00 0.00 H new ATOM 853 N LEU A 56 -3.516 -13.296 2.245 1.00 0.00 N ATOM 854 CA LEU A 56 -2.546 -13.339 1.160 1.00 0.00 C ATOM 855 C LEU A 56 -1.650 -12.123 1.252 1.00 0.00 C ATOM 856 O LEU A 56 -0.487 -12.144 0.865 1.00 0.00 O ATOM 857 CB LEU A 56 -3.254 -13.406 -0.204 1.00 0.00 C ATOM 858 CG LEU A 56 -4.234 -12.273 -0.545 1.00 0.00 C ATOM 859 CD1 LEU A 56 -3.509 -11.038 -1.055 1.00 0.00 C ATOM 860 CD2 LEU A 56 -5.237 -12.740 -1.581 1.00 0.00 C ATOM 0 H LEU A 56 -4.483 -13.168 1.947 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.937 -14.238 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.489 -13.436 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.798 -14.349 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.756 -12.004 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.236 -10.259 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.821 -10.678 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.950 -11.290 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.925 -11.927 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.711 -13.040 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.797 -13.589 -1.189 1.00 0.00 H new ATOM 872 N LEU A 57 -2.237 -11.072 1.778 1.00 0.00 N ATOM 873 CA LEU A 57 -1.552 -9.831 2.066 1.00 0.00 C ATOM 874 C LEU A 57 -0.479 -10.037 3.137 1.00 0.00 C ATOM 875 O LEU A 57 0.682 -9.678 2.930 1.00 0.00 O ATOM 876 CB LEU A 57 -2.594 -8.789 2.494 1.00 0.00 C ATOM 877 CG LEU A 57 -2.044 -7.499 3.072 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.037 -6.882 2.120 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.160 -6.518 3.363 1.00 0.00 C ATOM 0 H LEU A 57 -3.227 -11.055 2.023 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.036 -9.473 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.210 -8.543 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.252 -9.244 3.234 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.543 -7.734 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.651 -5.957 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.214 -7.579 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.521 -6.667 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.740 -5.601 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.693 -6.289 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.852 -6.957 4.082 1.00 0.00 H new ATOM 891 N ARG A 58 -0.859 -10.633 4.267 1.00 0.00 N ATOM 892 CA ARG A 58 0.098 -10.965 5.320 1.00 0.00 C ATOM 893 C ARG A 58 1.220 -11.828 4.758 1.00 0.00 C ATOM 894 O ARG A 58 2.401 -11.558 4.971 1.00 0.00 O ATOM 895 CB ARG A 58 -0.588 -11.714 6.469 1.00 0.00 C ATOM 896 CG ARG A 58 -1.462 -10.845 7.358 1.00 0.00 C ATOM 897 CD ARG A 58 -2.149 -11.686 8.426 1.00 0.00 C ATOM 898 NE ARG A 58 -2.917 -10.875 9.372 1.00 0.00 N ATOM 899 CZ ARG A 58 -3.856 -11.365 10.186 1.00 0.00 C ATOM 900 NH1 ARG A 58 -4.183 -12.650 10.133 1.00 0.00 N ATOM 901 NH2 ARG A 58 -4.475 -10.564 11.042 1.00 0.00 N ATOM 0 H ARG A 58 -1.822 -10.895 4.476 1.00 0.00 H new ATOM 0 HA ARG A 58 0.510 -10.032 5.704 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.200 -12.513 6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.177 -12.187 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.854 -10.073 7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.211 -10.335 6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.813 -12.405 7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.399 -12.260 8.970 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.723 -9.874 9.412 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.717 -13.268 9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.901 -13.020 10.756 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.234 -9.574 11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.192 -10.938 11.664 1.00 0.00 H new ATOM 915 N ASP A 59 0.828 -12.857 4.019 1.00 0.00 N ATOM 916 CA ASP A 59 1.775 -13.787 3.415 1.00 0.00 C ATOM 917 C ASP A 59 2.711 -13.075 2.438 1.00 0.00 C ATOM 918 O ASP A 59 3.912 -13.329 2.428 1.00 0.00 O ATOM 919 CB ASP A 59 1.015 -14.902 2.694 1.00 0.00 C ATOM 920 CG ASP A 59 1.929 -15.904 2.013 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.412 -16.836 2.697 1.00 0.00 O ATOM 922 OD2 ASP A 59 2.145 -15.785 0.789 1.00 0.00 O ATOM 0 H ASP A 59 -0.150 -13.071 3.821 1.00 0.00 H new ATOM 0 HA ASP A 59 2.385 -14.215 4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.383 -15.425 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.353 -14.459 1.950 1.00 0.00 H new ATOM 927 N SER A 60 2.155 -12.165 1.647 1.00 0.00 N ATOM 928 CA SER A 60 2.903 -11.474 0.599 1.00 0.00 C ATOM 929 C SER A 60 3.988 -10.602 1.198 1.00 0.00 C ATOM 930 O SER A 60 5.115 -10.545 0.699 1.00 0.00 O ATOM 931 CB SER A 60 1.953 -10.621 -0.240 1.00 0.00 C ATOM 932 OG SER A 60 1.607 -9.408 0.414 1.00 0.00 O ATOM 0 H SER A 60 1.176 -11.885 1.712 1.00 0.00 H new ATOM 0 HA SER A 60 3.376 -12.222 -0.038 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.420 -10.395 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.047 -11.189 -0.452 1.00 0.00 H new ATOM 0 HG SER A 60 1.164 -9.610 1.265 1.00 0.00 H new ATOM 938 N PHE A 61 3.633 -9.930 2.278 1.00 0.00 N ATOM 939 CA PHE A 61 4.582 -9.106 3.010 1.00 0.00 C ATOM 940 C PHE A 61 5.727 -9.962 3.515 1.00 0.00 C ATOM 941 O PHE A 61 6.884 -9.556 3.493 1.00 0.00 O ATOM 942 CB PHE A 61 3.913 -8.389 4.184 1.00 0.00 C ATOM 943 CG PHE A 61 3.173 -7.140 3.797 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.601 -6.360 2.732 1.00 0.00 C ATOM 945 CD2 PHE A 61 2.057 -6.736 4.510 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.930 -5.205 2.386 1.00 0.00 C ATOM 947 CE2 PHE A 61 1.382 -5.580 4.167 1.00 0.00 C ATOM 948 CZ PHE A 61 1.820 -4.814 3.102 1.00 0.00 C ATOM 0 H PHE A 61 2.691 -9.938 2.670 1.00 0.00 H new ATOM 0 HA PHE A 61 4.965 -8.348 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.218 -9.076 4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.674 -8.134 4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.471 -6.661 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.711 -7.330 5.343 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.275 -4.608 1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.513 -5.275 4.730 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.293 -3.911 2.832 1.00 0.00 H new ATOM 958 N GLN A 62 5.390 -11.170 3.935 1.00 0.00 N ATOM 959 CA GLN A 62 6.378 -12.117 4.406 1.00 0.00 C ATOM 960 C GLN A 62 7.246 -12.572 3.243 1.00 0.00 C ATOM 961 O GLN A 62 8.452 -12.760 3.390 1.00 0.00 O ATOM 962 CB GLN A 62 5.679 -13.315 5.044 1.00 0.00 C ATOM 963 CG GLN A 62 4.869 -12.967 6.283 1.00 0.00 C ATOM 964 CD GLN A 62 5.732 -12.498 7.441 1.00 0.00 C ATOM 965 OE1 GLN A 62 6.198 -13.304 8.245 1.00 0.00 O ATOM 966 NE2 GLN A 62 5.946 -11.195 7.545 1.00 0.00 N ATOM 0 H GLN A 62 4.431 -11.517 3.958 1.00 0.00 H new ATOM 0 HA GLN A 62 7.011 -11.639 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.019 -13.773 4.307 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.428 -14.061 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.150 -12.187 6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.296 -13.841 6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.544 -10.556 6.860 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.513 -10.831 8.310 1.00 0.00 H new ATOM 975 N GLN A 63 6.620 -12.726 2.079 1.00 0.00 N ATOM 976 CA GLN A 63 7.324 -13.156 0.883 1.00 0.00 C ATOM 977 C GLN A 63 8.396 -12.150 0.493 1.00 0.00 C ATOM 978 O GLN A 63 9.533 -12.523 0.238 1.00 0.00 O ATOM 979 CB GLN A 63 6.368 -13.358 -0.285 1.00 0.00 C ATOM 980 CG GLN A 63 5.282 -14.374 -0.006 1.00 0.00 C ATOM 981 CD GLN A 63 5.815 -15.704 0.487 1.00 0.00 C ATOM 982 OE1 GLN A 63 6.160 -16.582 -0.298 1.00 0.00 O ATOM 983 NE2 GLN A 63 5.845 -15.874 1.801 1.00 0.00 N ATOM 0 H GLN A 63 5.623 -12.558 1.943 1.00 0.00 H new ATOM 0 HA GLN A 63 7.796 -14.111 1.115 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.906 -12.403 -0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.936 -13.676 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.597 -13.967 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.705 -14.537 -0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.550 -15.119 2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.163 -16.760 2.193 1.00 0.00 H new ATOM 992 N VAL A 64 8.030 -10.872 0.456 1.00 0.00 N ATOM 993 CA VAL A 64 8.964 -9.835 0.027 1.00 0.00 C ATOM 994 C VAL A 64 10.068 -9.606 1.065 1.00 0.00 C ATOM 995 O VAL A 64 11.160 -9.157 0.726 1.00 0.00 O ATOM 996 CB VAL A 64 8.248 -8.505 -0.313 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.644 -7.852 0.918 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.201 -7.550 -1.019 1.00 0.00 C ATOM 0 H VAL A 64 7.104 -10.532 0.715 1.00 0.00 H new ATOM 0 HA VAL A 64 9.429 -10.199 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 64 7.425 -8.741 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.152 -6.922 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.914 -8.526 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.432 -7.639 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.680 -6.621 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.051 -7.338 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.555 -8.007 -1.943 1.00 0.00 H new ATOM 1008 N VAL A 65 9.793 -9.938 2.325 1.00 0.00 N ATOM 1009 CA VAL A 65 10.820 -9.875 3.363 1.00 0.00 C ATOM 1010 C VAL A 65 11.839 -10.988 3.137 1.00 0.00 C ATOM 1011 O VAL A 65 13.010 -10.866 3.487 1.00 0.00 O ATOM 1012 CB VAL A 65 10.211 -9.977 4.786 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.296 -10.112 5.845 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.347 -8.761 5.079 1.00 0.00 C ATOM 0 H VAL A 65 8.878 -10.250 2.650 1.00 0.00 H new ATOM 0 HA VAL A 65 11.314 -8.906 3.295 1.00 0.00 H new ATOM 0 HB VAL A 65 9.592 -10.873 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.836 -10.181 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.881 -11.012 5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.949 -9.240 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.926 -8.846 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.955 -7.859 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.539 -8.705 4.350 1.00 0.00 H new ATOM 1024 N LYS A 66 11.382 -12.067 2.526 1.00 0.00 N ATOM 1025 CA LYS A 66 12.260 -13.160 2.133 1.00 0.00 C ATOM 1026 C LYS A 66 12.916 -12.860 0.782 1.00 0.00 C ATOM 1027 O LYS A 66 14.048 -13.261 0.521 1.00 0.00 O ATOM 1028 CB LYS A 66 11.459 -14.460 2.055 1.00 0.00 C ATOM 1029 CG LYS A 66 10.848 -14.879 3.381 1.00 0.00 C ATOM 1030 CD LYS A 66 9.855 -16.016 3.207 1.00 0.00 C ATOM 1031 CE LYS A 66 9.360 -16.542 4.545 1.00 0.00 C ATOM 1032 NZ LYS A 66 10.470 -17.069 5.382 1.00 0.00 N ATOM 0 H LYS A 66 10.401 -12.212 2.289 1.00 0.00 H new ATOM 0 HA LYS A 66 13.047 -13.268 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.664 -14.343 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.110 -15.257 1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.639 -15.188 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.347 -14.025 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.007 -15.671 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.324 -16.826 2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.849 -15.743 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.628 -17.331 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.081 -17.667 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.113 -17.633 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.994 -16.276 5.803 1.00 0.00 H new ATOM 1046 N LEU A 67 12.190 -12.138 -0.063 1.00 0.00 N ATOM 1047 CA LEU A 67 12.645 -11.810 -1.413 1.00 0.00 C ATOM 1048 C LEU A 67 13.412 -10.492 -1.456 1.00 0.00 C ATOM 1049 O LEU A 67 13.362 -9.790 -2.463 1.00 0.00 O ATOM 1050 CB LEU A 67 11.461 -11.743 -2.388 1.00 0.00 C ATOM 1051 CG LEU A 67 10.687 -13.051 -2.561 1.00 0.00 C ATOM 1052 CD1 LEU A 67 9.650 -12.912 -3.659 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.631 -14.202 -2.867 1.00 0.00 C ATOM 0 H LEU A 67 11.270 -11.763 0.166 1.00 0.00 H new ATOM 0 HA LEU A 67 13.322 -12.608 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.770 -10.973 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.831 -11.426 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 67 10.175 -13.270 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.108 -13.852 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.950 -12.118 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.145 -12.667 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.057 -15.121 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.174 -13.992 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.339 -14.320 -2.047 1.00 0.00 H new ATOM 1065 N LYS A 68 14.075 -10.152 -0.349 1.00 0.00 N ATOM 1066 CA LYS A 68 14.871 -8.920 -0.230 1.00 0.00 C ATOM 1067 C LYS A 68 15.596 -8.556 -1.526 1.00 0.00 C ATOM 1068 O LYS A 68 16.634 -9.135 -1.860 1.00 0.00 O ATOM 1069 CB LYS A 68 15.903 -9.076 0.887 1.00 0.00 C ATOM 1070 CG LYS A 68 15.291 -9.364 2.238 1.00 0.00 C ATOM 1071 CD LYS A 68 16.356 -9.596 3.293 1.00 0.00 C ATOM 1072 CE LYS A 68 15.736 -9.799 4.663 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.762 -9.897 5.735 1.00 0.00 N ATOM 0 H LYS A 68 14.077 -10.723 0.496 1.00 0.00 H new ATOM 0 HA LYS A 68 14.172 -8.115 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.588 -9.883 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.496 -8.164 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.657 -8.529 2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.649 -10.242 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.951 -10.470 3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.036 -8.744 3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.063 -8.970 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.133 -10.707 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.293 -10.035 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.390 -10.703 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.322 -9.021 5.761 1.00 0.00 H new ATOM 1087 N GLY A 69 15.041 -7.592 -2.251 1.00 0.00 N ATOM 1088 CA GLY A 69 15.647 -7.153 -3.490 1.00 0.00 C ATOM 1089 C GLY A 69 14.716 -7.288 -4.678 1.00 0.00 C ATOM 1090 O GLY A 69 14.829 -6.538 -5.650 1.00 0.00 O ATOM 0 H GLY A 69 14.180 -7.106 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.953 -6.112 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.550 -7.735 -3.674 1.00 0.00 H new ATOM 1094 N GLN A 70 13.789 -8.233 -4.603 1.00 0.00 N ATOM 1095 CA GLN A 70 12.860 -8.478 -5.693 1.00 0.00 C ATOM 1096 C GLN A 70 11.540 -7.767 -5.440 1.00 0.00 C ATOM 1097 O GLN A 70 11.072 -7.691 -4.302 1.00 0.00 O ATOM 1098 CB GLN A 70 12.609 -9.977 -5.860 1.00 0.00 C ATOM 1099 CG GLN A 70 13.846 -10.774 -6.223 1.00 0.00 C ATOM 1100 CD GLN A 70 13.533 -12.234 -6.497 1.00 0.00 C ATOM 1101 OE1 GLN A 70 12.592 -12.795 -5.938 1.00 0.00 O ATOM 1102 NE2 GLN A 70 14.315 -12.859 -7.363 1.00 0.00 N ATOM 0 H GLN A 70 13.662 -8.843 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 70 13.305 -8.088 -6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.195 -10.371 -4.932 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.855 -10.124 -6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.313 -10.334 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.570 -10.706 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.086 -12.360 -7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.147 -13.840 -7.587 1.00 0.00 H new ATOM 1111 N VAL A 71 10.946 -7.242 -6.500 1.00 0.00 N ATOM 1112 CA VAL A 71 9.655 -6.586 -6.403 1.00 0.00 C ATOM 1113 C VAL A 71 8.548 -7.628 -6.317 1.00 0.00 C ATOM 1114 O VAL A 71 8.385 -8.452 -7.222 1.00 0.00 O ATOM 1115 CB VAL A 71 9.400 -5.661 -7.614 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.047 -4.975 -7.500 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.515 -4.634 -7.743 1.00 0.00 C ATOM 0 H VAL A 71 11.341 -7.259 -7.440 1.00 0.00 H new ATOM 0 HA VAL A 71 9.658 -5.975 -5.500 1.00 0.00 H new ATOM 0 HB VAL A 71 9.390 -6.275 -8.515 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.892 -4.330 -8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.259 -5.728 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.019 -4.375 -6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.320 -3.991 -8.601 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.558 -4.028 -6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.467 -5.146 -7.883 1.00 0.00 H new ATOM 1127 N LEU A 72 7.792 -7.589 -5.234 1.00 0.00 N ATOM 1128 CA LEU A 72 6.740 -8.567 -5.006 1.00 0.00 C ATOM 1129 C LEU A 72 5.391 -7.873 -5.052 1.00 0.00 C ATOM 1130 O LEU A 72 5.095 -7.036 -4.210 1.00 0.00 O ATOM 1131 CB LEU A 72 6.943 -9.251 -3.648 1.00 0.00 C ATOM 1132 CG LEU A 72 6.286 -10.626 -3.481 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.767 -10.524 -3.423 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.726 -11.546 -4.609 1.00 0.00 C ATOM 0 H LEU A 72 7.886 -6.890 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 72 6.777 -9.329 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.014 -9.359 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.559 -8.591 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 72 6.613 -11.046 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.340 -11.520 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.476 -9.901 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.397 -10.078 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.257 -12.522 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.427 -11.117 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.810 -11.659 -4.585 1.00 0.00 H new ATOM 1146 N SER A 73 4.576 -8.225 -6.024 1.00 0.00 N ATOM 1147 CA SER A 73 3.307 -7.557 -6.210 1.00 0.00 C ATOM 1148 C SER A 73 2.152 -8.372 -5.635 1.00 0.00 C ATOM 1149 O SER A 73 1.989 -9.555 -5.940 1.00 0.00 O ATOM 1150 CB SER A 73 3.087 -7.266 -7.695 1.00 0.00 C ATOM 1151 OG SER A 73 3.409 -8.394 -8.491 1.00 0.00 O ATOM 0 H SER A 73 4.770 -8.968 -6.695 1.00 0.00 H new ATOM 0 HA SER A 73 3.334 -6.614 -5.665 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.048 -6.984 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.701 -6.417 -7.997 1.00 0.00 H new ATOM 0 HG SER A 73 3.258 -8.182 -9.436 1.00 0.00 H new ATOM 1157 N VAL A 74 1.367 -7.734 -4.784 1.00 0.00 N ATOM 1158 CA VAL A 74 0.177 -8.345 -4.215 1.00 0.00 C ATOM 1159 C VAL A 74 -1.057 -7.610 -4.669 1.00 0.00 C ATOM 1160 O VAL A 74 -1.144 -6.384 -4.604 1.00 0.00 O ATOM 1161 CB VAL A 74 0.233 -8.405 -2.667 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.674 -7.072 -2.078 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -1.111 -8.811 -2.086 1.00 0.00 C ATOM 0 H VAL A 74 1.536 -6.779 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 74 0.135 -9.373 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 74 0.971 -9.161 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.703 -7.146 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.667 -6.820 -2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.032 -6.294 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.042 -8.845 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.869 -8.084 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.388 -9.796 -2.463 1.00 0.00 H new ATOM 1173 N MET A 75 -2.000 -8.381 -5.150 1.00 0.00 N ATOM 1174 CA MET A 75 -3.219 -7.842 -5.674 1.00 0.00 C ATOM 1175 C MET A 75 -4.345 -8.085 -4.682 1.00 0.00 C ATOM 1176 O MET A 75 -4.563 -9.216 -4.245 1.00 0.00 O ATOM 1177 CB MET A 75 -3.529 -8.484 -7.017 1.00 0.00 C ATOM 1178 CG MET A 75 -4.586 -7.732 -7.772 1.00 0.00 C ATOM 1179 SD MET A 75 -5.157 -8.597 -9.246 1.00 0.00 S ATOM 1180 CE MET A 75 -6.355 -7.426 -9.880 1.00 0.00 C ATOM 0 H MET A 75 -1.939 -9.399 -5.187 1.00 0.00 H new ATOM 0 HA MET A 75 -3.114 -6.768 -5.826 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.619 -8.529 -7.616 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.858 -9.511 -6.860 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.435 -7.551 -7.113 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.193 -6.757 -8.060 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.416 -7.519 -10.964 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.332 -7.632 -9.443 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.047 -6.413 -9.619 1.00 0.00 H new ATOM 1190 N PHE A 76 -5.045 -7.019 -4.328 1.00 0.00 N ATOM 1191 CA PHE A 76 -6.073 -7.086 -3.298 1.00 0.00 C ATOM 1192 C PHE A 76 -7.030 -5.914 -3.444 1.00 0.00 C ATOM 1193 O PHE A 76 -6.850 -5.066 -4.321 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.430 -7.076 -1.904 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.724 -5.794 -1.560 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.484 -5.503 -2.100 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.301 -4.884 -0.691 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.835 -4.330 -1.780 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.657 -3.710 -0.366 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.421 -3.432 -0.911 1.00 0.00 C ATOM 0 H PHE A 76 -4.921 -6.094 -4.739 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.631 -8.015 -3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.203 -7.263 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.718 -7.899 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.020 -6.202 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.269 -5.097 -0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.868 -4.114 -2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.119 -3.009 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.913 -2.513 -0.658 1.00 0.00 H new ATOM 1210 N ARG A 77 -8.040 -5.861 -2.587 1.00 0.00 N ATOM 1211 CA ARG A 77 -9.016 -4.785 -2.635 1.00 0.00 C ATOM 1212 C ARG A 77 -8.723 -3.768 -1.535 1.00 0.00 C ATOM 1213 O ARG A 77 -8.807 -4.081 -0.346 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.432 -5.332 -2.475 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.740 -6.511 -3.380 1.00 0.00 C ATOM 1216 CD ARG A 77 -12.197 -6.922 -3.274 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.419 -8.285 -3.753 1.00 0.00 N ATOM 1218 CZ ARG A 77 -13.532 -8.697 -4.353 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.503 -7.834 -4.633 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -13.665 -9.975 -4.687 1.00 0.00 N ATOM 0 H ARG A 77 -8.204 -6.549 -1.852 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.943 -4.296 -3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.580 -5.634 -1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.145 -4.533 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.508 -6.250 -4.412 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.102 -7.353 -3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.520 -6.846 -2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.811 -6.231 -3.851 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.671 -8.965 -3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.397 -6.850 -4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.354 -8.156 -5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.915 -10.636 -4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.517 -10.296 -5.147 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.370 -2.559 -1.949 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.029 -1.477 -1.035 1.00 0.00 C ATOM 1236 C PHE A 78 -9.240 -0.563 -0.875 1.00 0.00 C ATOM 1237 O PHE A 78 -9.954 -0.306 -1.847 1.00 0.00 O ATOM 1238 CB PHE A 78 -6.848 -0.694 -1.619 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.096 0.168 -0.638 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.579 1.410 -0.260 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.879 -0.253 -0.125 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -5.864 2.212 0.611 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.156 0.547 0.739 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.649 1.781 1.110 1.00 0.00 C ATOM 0 H PHE A 78 -8.312 -2.300 -2.934 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.751 -1.874 -0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.149 -1.402 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.217 -0.060 -2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.525 1.756 -0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.490 -1.221 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.255 3.176 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.206 0.207 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.088 2.408 1.787 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.487 -0.091 0.337 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.645 0.756 0.582 1.00 0.00 C ATOM 1256 C ARG A 79 -10.377 2.205 0.188 1.00 0.00 C ATOM 1257 O ARG A 79 -9.479 2.850 0.720 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.076 0.710 2.044 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.523 1.135 2.241 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.842 1.393 3.698 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.419 2.720 4.140 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.953 3.358 5.183 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.919 2.786 5.890 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -12.521 4.564 5.514 1.00 0.00 N ATOM 0 H ARG A 79 -8.910 -0.276 1.157 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.449 0.362 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.943 -0.302 2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.427 1.360 2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.719 2.037 1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.185 0.359 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.915 1.287 3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.353 0.637 4.312 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.673 3.185 3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.255 1.857 5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.326 3.275 6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.779 5.007 4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.930 5.051 6.312 1.00 0.00 H new ATOM 1278 N SER A 80 -11.159 2.694 -0.759 1.00 0.00 N ATOM 1279 CA SER A 80 -11.122 4.098 -1.142 1.00 0.00 C ATOM 1280 C SER A 80 -11.887 4.955 -0.122 1.00 0.00 C ATOM 1281 O SER A 80 -12.491 4.432 0.821 1.00 0.00 O ATOM 1282 CB SER A 80 -11.720 4.257 -2.545 1.00 0.00 C ATOM 1283 OG SER A 80 -11.620 5.593 -3.016 1.00 0.00 O ATOM 0 H SER A 80 -11.833 2.135 -1.282 1.00 0.00 H new ATOM 0 HA SER A 80 -10.087 4.441 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.206 3.589 -3.236 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.767 3.955 -2.529 1.00 0.00 H new ATOM 0 HG SER A 80 -12.010 5.654 -3.913 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.876 6.270 -0.336 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.516 7.233 0.564 1.00 0.00 C ATOM 1291 C LYS A 81 -14.032 7.116 0.500 1.00 0.00 C ATOM 1292 O LYS A 81 -14.762 7.745 1.270 1.00 0.00 O ATOM 1293 CB LYS A 81 -12.103 8.649 0.160 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.300 9.700 1.238 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.362 9.465 2.404 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.368 10.629 3.379 1.00 0.00 C ATOM 1297 NZ LYS A 81 -10.870 11.882 2.750 1.00 0.00 N ATOM 0 H LYS A 81 -11.422 6.701 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.195 7.020 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.052 8.638 -0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.673 8.941 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.125 10.692 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.332 9.679 1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.653 8.553 2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.350 9.310 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.381 10.787 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.747 10.384 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.601 12.560 3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.041 11.668 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.619 12.295 2.159 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.497 6.308 -0.429 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.916 6.087 -0.626 1.00 0.00 C ATOM 1313 C ASN A 82 -16.308 4.736 -0.042 1.00 0.00 C ATOM 1314 O ASN A 82 -17.399 4.220 -0.292 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.232 6.171 -2.118 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.293 5.320 -2.953 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -14.941 4.203 -2.572 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.822 5.868 -4.060 1.00 0.00 N ATOM 0 H ASN A 82 -13.902 5.784 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.496 6.853 -0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -17.259 5.849 -2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.165 7.209 -2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.144 5.363 -4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.137 6.796 -4.344 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.371 4.169 0.723 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.584 2.944 1.489 1.00 0.00 C ATOM 1327 C GLN A 83 -15.797 1.736 0.587 1.00 0.00 C ATOM 1328 O GLN A 83 -16.405 0.743 0.990 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.743 3.107 2.475 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.366 3.890 3.730 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.906 5.311 3.447 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.705 6.243 3.424 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.605 5.488 3.252 1.00 0.00 N ATOM 0 H GLN A 83 -14.433 4.555 0.827 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.675 2.760 2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.568 3.613 1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -17.104 2.121 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.225 3.922 4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.573 3.358 4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.972 4.689 3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.238 6.423 3.076 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.270 1.819 -0.624 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.316 0.710 -1.552 1.00 0.00 C ATOM 1344 C GLU A 84 -13.984 0.000 -1.587 1.00 0.00 C ATOM 1345 O GLU A 84 -12.988 0.517 -1.089 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.673 1.178 -2.956 1.00 0.00 C ATOM 1347 CG GLU A 84 -17.112 1.617 -3.120 1.00 0.00 C ATOM 1348 CD GLU A 84 -18.105 0.551 -2.709 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -18.397 -0.339 -3.527 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -18.605 0.602 -1.567 1.00 0.00 O ATOM 0 H GLU A 84 -14.803 2.651 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.089 0.023 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.019 2.007 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.470 0.370 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.283 2.514 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.287 1.887 -4.161 1.00 0.00 H new ATOM 1357 N TRP A 85 -13.967 -1.169 -2.195 1.00 0.00 N ATOM 1358 CA TRP A 85 -12.794 -2.013 -2.185 1.00 0.00 C ATOM 1359 C TRP A 85 -12.315 -2.263 -3.609 1.00 0.00 C ATOM 1360 O TRP A 85 -12.784 -3.179 -4.285 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.129 -3.329 -1.487 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.692 -3.143 -0.108 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.012 -3.068 0.234 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -12.956 -2.998 1.111 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.139 -2.883 1.590 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.894 -2.843 2.149 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.598 -2.990 1.430 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.518 -2.676 3.477 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.228 -2.826 2.751 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.183 -2.674 3.760 1.00 0.00 C ATOM 0 H TRP A 85 -14.760 -1.557 -2.706 1.00 0.00 H new ATOM 0 HA TRP A 85 -11.990 -1.517 -1.641 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -13.847 -3.882 -2.093 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.228 -3.939 -1.425 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.836 -3.143 -0.460 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -16.020 -2.791 2.096 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.851 -3.110 0.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.256 -2.552 4.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.179 -2.815 3.009 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.858 -2.553 4.783 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.379 -1.443 -4.060 1.00 0.00 N ATOM 1382 CA LEU A 86 -10.909 -1.502 -5.435 1.00 0.00 C ATOM 1383 C LEU A 86 -9.681 -2.384 -5.575 1.00 0.00 C ATOM 1384 O LEU A 86 -8.920 -2.571 -4.632 1.00 0.00 O ATOM 1385 CB LEU A 86 -10.618 -0.095 -5.964 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.164 0.933 -4.928 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -8.672 0.799 -4.644 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.506 2.339 -5.395 1.00 0.00 C ATOM 0 H LEU A 86 -10.928 -0.726 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.704 -1.948 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.849 -0.170 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.518 0.282 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.697 0.741 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.374 1.542 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.463 -0.200 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.111 0.959 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.177 3.061 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.003 2.541 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.584 2.425 -5.532 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.490 -2.906 -6.775 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.394 -3.817 -7.055 1.00 0.00 C ATOM 1402 C TRP A 87 -7.105 -3.052 -7.272 1.00 0.00 C ATOM 1403 O TRP A 87 -6.835 -2.549 -8.366 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.693 -4.672 -8.286 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.737 -5.709 -8.048 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.042 -5.660 -8.434 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.560 -6.953 -7.366 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.690 -6.803 -8.036 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.799 -7.614 -7.379 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.469 -7.574 -6.749 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -10.981 -8.867 -6.797 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.649 -8.815 -6.173 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -9.896 -9.452 -6.200 1.00 0.00 C ATOM 0 H TRP A 87 -10.087 -2.711 -7.579 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.281 -4.472 -6.191 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.015 -4.023 -9.100 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.774 -5.160 -8.612 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.499 -4.843 -8.973 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.674 -7.015 -8.202 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.503 -7.091 -6.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -11.942 -9.359 -6.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -7.814 -9.303 -5.693 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -10.004 -10.424 -5.741 1.00 0.00 H new ATOM 1424 N MET A 88 -6.308 -2.969 -6.230 1.00 0.00 N ATOM 1425 CA MET A 88 -5.030 -2.305 -6.322 1.00 0.00 C ATOM 1426 C MET A 88 -3.917 -3.326 -6.182 1.00 0.00 C ATOM 1427 O MET A 88 -3.947 -4.189 -5.302 1.00 0.00 O ATOM 1428 CB MET A 88 -4.902 -1.183 -5.275 1.00 0.00 C ATOM 1429 CG MET A 88 -3.681 -1.298 -4.373 1.00 0.00 C ATOM 1430 SD MET A 88 -3.562 0.042 -3.177 1.00 0.00 S ATOM 1431 CE MET A 88 -3.779 1.463 -4.240 1.00 0.00 C ATOM 0 H MET A 88 -6.523 -3.353 -5.310 1.00 0.00 H new ATOM 0 HA MET A 88 -4.950 -1.831 -7.300 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.868 -0.224 -5.791 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.798 -1.179 -4.654 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.716 -2.249 -3.842 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.781 -1.310 -4.988 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.437 2.360 -3.723 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.199 1.327 -5.153 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.834 1.570 -4.493 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.961 -3.250 -7.078 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.832 -4.143 -7.044 1.00 0.00 C ATOM 1443 C ARG A 89 -0.651 -3.412 -6.431 1.00 0.00 C ATOM 1444 O ARG A 89 -0.134 -2.452 -7.005 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.499 -4.631 -8.452 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.747 -5.949 -8.480 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.350 -6.319 -9.896 1.00 0.00 C ATOM 1448 NE ARG A 89 0.325 -7.614 -9.965 1.00 0.00 N ATOM 1449 CZ ARG A 89 0.870 -8.107 -11.075 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.745 -7.455 -12.223 1.00 0.00 N ATOM 1451 NH2 ARG A 89 1.514 -9.266 -11.044 1.00 0.00 N ATOM 0 H ARG A 89 -2.945 -2.575 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.069 -5.017 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.424 -4.739 -9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.903 -3.872 -8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.144 -5.877 -7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.370 -6.736 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.239 -6.342 -10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.306 -5.548 -10.300 1.00 0.00 H new ATOM 0 HE ARG A 89 0.382 -8.172 -9.113 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.231 -6.575 -12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.163 -7.834 -13.073 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.593 -9.782 -10.168 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.930 -9.641 -11.896 1.00 0.00 H new ATOM 1465 N THR A 90 -0.265 -3.840 -5.250 1.00 0.00 N ATOM 1466 CA THR A 90 0.811 -3.202 -4.527 1.00 0.00 C ATOM 1467 C THR A 90 2.126 -3.931 -4.767 1.00 0.00 C ATOM 1468 O THR A 90 2.242 -5.128 -4.514 1.00 0.00 O ATOM 1469 CB THR A 90 0.501 -3.159 -3.020 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.724 -2.448 -2.804 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.620 -2.490 -2.241 1.00 0.00 C ATOM 0 H THR A 90 -0.685 -4.634 -4.767 1.00 0.00 H new ATOM 0 HA THR A 90 0.905 -2.180 -4.895 1.00 0.00 H new ATOM 0 HB THR A 90 0.407 -4.185 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.525 -1.538 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.368 -2.477 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.547 -3.045 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.749 -1.468 -2.596 1.00 0.00 H new ATOM 1479 N SER A 91 3.102 -3.204 -5.274 1.00 0.00 N ATOM 1480 CA SER A 91 4.418 -3.759 -5.513 1.00 0.00 C ATOM 1481 C SER A 91 5.314 -3.443 -4.322 1.00 0.00 C ATOM 1482 O SER A 91 5.521 -2.277 -3.989 1.00 0.00 O ATOM 1483 CB SER A 91 5.003 -3.185 -6.804 1.00 0.00 C ATOM 1484 OG SER A 91 4.135 -3.420 -7.902 1.00 0.00 O ATOM 0 H SER A 91 3.006 -2.221 -5.530 1.00 0.00 H new ATOM 0 HA SER A 91 4.349 -4.841 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.168 -2.114 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.975 -3.638 -7.000 1.00 0.00 H new ATOM 0 HG SER A 91 4.528 -3.043 -8.717 1.00 0.00 H new ATOM 1490 N SER A 92 5.823 -4.479 -3.678 1.00 0.00 N ATOM 1491 CA SER A 92 6.579 -4.315 -2.451 1.00 0.00 C ATOM 1492 C SER A 92 8.070 -4.410 -2.708 1.00 0.00 C ATOM 1493 O SER A 92 8.520 -5.056 -3.658 1.00 0.00 O ATOM 1494 CB SER A 92 6.192 -5.371 -1.409 1.00 0.00 C ATOM 1495 OG SER A 92 6.730 -5.055 -0.140 1.00 0.00 O ATOM 0 H SER A 92 5.725 -5.446 -3.987 1.00 0.00 H new ATOM 0 HA SER A 92 6.338 -3.324 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.106 -5.438 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.552 -6.349 -1.727 1.00 0.00 H new ATOM 0 HG SER A 92 6.063 -5.240 0.553 1.00 0.00 H new ATOM 1501 N PHE A 93 8.809 -3.765 -1.833 1.00 0.00 N ATOM 1502 CA PHE A 93 10.253 -3.845 -1.807 1.00 0.00 C ATOM 1503 C PHE A 93 10.732 -3.510 -0.408 1.00 0.00 C ATOM 1504 O PHE A 93 10.287 -2.530 0.187 1.00 0.00 O ATOM 1505 CB PHE A 93 10.867 -2.879 -2.831 1.00 0.00 C ATOM 1506 CG PHE A 93 12.354 -2.687 -2.679 1.00 0.00 C ATOM 1507 CD1 PHE A 93 13.246 -3.591 -3.233 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.857 -1.605 -1.969 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.610 -3.420 -3.086 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.219 -1.430 -1.817 1.00 0.00 C ATOM 1511 CZ PHE A 93 15.098 -2.340 -2.374 1.00 0.00 C ATOM 0 H PHE A 93 8.419 -3.162 -1.109 1.00 0.00 H new ATOM 0 HA PHE A 93 10.568 -4.854 -2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.660 -3.250 -3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.375 -1.910 -2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.871 -4.439 -3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.175 -0.891 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.294 -4.130 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.597 -0.583 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.163 -2.208 -2.253 1.00 0.00 H new ATOM 1521 N THR A 94 11.631 -4.311 0.117 1.00 0.00 N ATOM 1522 CA THR A 94 12.188 -4.050 1.422 1.00 0.00 C ATOM 1523 C THR A 94 13.388 -3.132 1.290 1.00 0.00 C ATOM 1524 O THR A 94 14.464 -3.563 0.872 1.00 0.00 O ATOM 1525 CB THR A 94 12.599 -5.356 2.117 1.00 0.00 C ATOM 1526 OG1 THR A 94 13.491 -6.098 1.273 1.00 0.00 O ATOM 1527 CG2 THR A 94 11.376 -6.202 2.443 1.00 0.00 C ATOM 0 H THR A 94 11.991 -5.148 -0.341 1.00 0.00 H new ATOM 0 HA THR A 94 11.425 -3.567 2.033 1.00 0.00 H new ATOM 0 HB THR A 94 13.106 -5.105 3.049 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.146 -5.488 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.691 -7.122 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.714 -5.645 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.846 -6.446 1.522 1.00 0.00 H new ATOM 1535 N PHE A 95 13.201 -1.865 1.620 1.00 0.00 N ATOM 1536 CA PHE A 95 14.263 -0.895 1.461 1.00 0.00 C ATOM 1537 C PHE A 95 15.316 -1.118 2.523 1.00 0.00 C ATOM 1538 O PHE A 95 15.083 -0.914 3.717 1.00 0.00 O ATOM 1539 CB PHE A 95 13.723 0.534 1.511 1.00 0.00 C ATOM 1540 CG PHE A 95 14.651 1.543 0.891 1.00 0.00 C ATOM 1541 CD1 PHE A 95 14.878 1.543 -0.475 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.291 2.490 1.668 1.00 0.00 C ATOM 1543 CE1 PHE A 95 15.724 2.468 -1.053 1.00 0.00 C ATOM 1544 CE2 PHE A 95 16.140 3.417 1.096 1.00 0.00 C ATOM 1545 CZ PHE A 95 16.358 3.406 -0.265 1.00 0.00 C ATOM 0 H PHE A 95 12.330 -1.490 1.996 1.00 0.00 H new ATOM 0 HA PHE A 95 14.717 -1.031 0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 95 12.762 0.570 0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 95 13.539 0.810 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 95 14.386 0.809 -1.097 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.125 2.505 2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 95 15.889 2.457 -2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 95 16.634 4.151 1.716 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.023 4.129 -0.713 1.00 0.00 H new ATOM 1555 N GLN A 96 16.459 -1.589 2.076 1.00 0.00 N ATOM 1556 CA GLN A 96 17.560 -1.880 2.959 1.00 0.00 C ATOM 1557 C GLN A 96 18.681 -0.895 2.729 1.00 0.00 C ATOM 1558 O GLN A 96 18.878 -0.415 1.613 1.00 0.00 O ATOM 1559 CB GLN A 96 18.073 -3.296 2.718 1.00 0.00 C ATOM 1560 CG GLN A 96 17.027 -4.370 2.949 1.00 0.00 C ATOM 1561 CD GLN A 96 17.596 -5.771 2.897 1.00 0.00 C ATOM 1562 OE1 GLN A 96 17.108 -6.667 3.580 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.622 -5.981 2.087 1.00 0.00 N ATOM 0 H GLN A 96 16.649 -1.780 1.092 1.00 0.00 H new ATOM 0 HA GLN A 96 17.209 -1.797 3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.439 -3.371 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 96 18.923 -3.482 3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.558 -4.210 3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.244 -4.274 2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.001 -5.212 1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.033 -6.912 2.015 1.00 0.00 H new ATOM 1572 N ASN A 97 19.401 -0.587 3.792 1.00 0.00 N ATOM 1573 CA ASN A 97 20.581 0.245 3.689 1.00 0.00 C ATOM 1574 C ASN A 97 21.651 -0.525 2.929 1.00 0.00 C ATOM 1575 O ASN A 97 22.133 -1.549 3.413 1.00 0.00 O ATOM 1576 CB ASN A 97 21.099 0.620 5.077 1.00 0.00 C ATOM 1577 CG ASN A 97 22.182 1.682 5.015 1.00 0.00 C ATOM 1578 OD1 ASN A 97 22.191 2.525 4.119 1.00 0.00 O ATOM 1579 ND2 ASN A 97 23.112 1.635 5.951 1.00 0.00 N ATOM 0 H ASN A 97 19.187 -0.902 4.738 1.00 0.00 H new ATOM 0 HA ASN A 97 20.331 1.165 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 97 20.271 0.982 5.687 1.00 0.00 H new ATOM 0 HB3 ASN A 97 21.492 -0.270 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 97 23.873 2.314 5.948 1.00 0.00 H new ATOM 0 HD22 ASN A 97 23.069 0.920 6.677 1.00 0.00 H new ATOM 1586 N PRO A 98 22.031 -0.053 1.732 1.00 0.00 N ATOM 1587 CA PRO A 98 22.981 -0.755 0.854 1.00 0.00 C ATOM 1588 C PRO A 98 24.324 -1.032 1.527 1.00 0.00 C ATOM 1589 O PRO A 98 25.087 -1.889 1.087 1.00 0.00 O ATOM 1590 CB PRO A 98 23.170 0.209 -0.327 1.00 0.00 C ATOM 1591 CG PRO A 98 22.638 1.520 0.138 1.00 0.00 C ATOM 1592 CD PRO A 98 21.561 1.202 1.130 1.00 0.00 C ATOM 0 HA PRO A 98 22.602 -1.736 0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 98 24.221 0.288 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.634 -0.141 -1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 98 23.425 2.120 0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 98 22.241 2.098 -0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 98 21.451 1.991 1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 98 20.591 1.081 0.648 1.00 0.00 H new ATOM 1600 N TYR A 99 24.589 -0.319 2.608 1.00 0.00 N ATOM 1601 CA TYR A 99 25.858 -0.426 3.304 1.00 0.00 C ATOM 1602 C TYR A 99 25.730 -1.283 4.561 1.00 0.00 C ATOM 1603 O TYR A 99 26.714 -1.532 5.255 1.00 0.00 O ATOM 1604 CB TYR A 99 26.362 0.968 3.672 1.00 0.00 C ATOM 1605 CG TYR A 99 26.511 1.898 2.488 1.00 0.00 C ATOM 1606 CD1 TYR A 99 25.437 2.653 2.038 1.00 0.00 C ATOM 1607 CD2 TYR A 99 27.725 2.025 1.825 1.00 0.00 C ATOM 1608 CE1 TYR A 99 25.568 3.513 0.967 1.00 0.00 C ATOM 1609 CE2 TYR A 99 27.865 2.887 0.753 1.00 0.00 C ATOM 1610 CZ TYR A 99 26.782 3.626 0.327 1.00 0.00 C ATOM 1611 OH TYR A 99 26.916 4.495 -0.733 1.00 0.00 O ATOM 0 H TYR A 99 23.936 0.345 3.025 1.00 0.00 H new ATOM 0 HA TYR A 99 26.573 -0.910 2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 99 25.673 1.415 4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 99 27.326 0.875 4.172 1.00 0.00 H new ATOM 0 HD1 TYR A 99 24.482 2.566 2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 99 28.573 1.441 2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 99 24.722 4.095 0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 99 28.817 2.981 0.252 1.00 0.00 H new ATOM 0 HH TYR A 99 27.834 4.457 -1.073 1.00 0.00 H new ATOM 1621 N SER A 100 24.518 -1.745 4.853 1.00 0.00 N ATOM 1622 CA SER A 100 24.286 -2.515 6.068 1.00 0.00 C ATOM 1623 C SER A 100 23.493 -3.795 5.803 1.00 0.00 C ATOM 1624 O SER A 100 23.535 -4.723 6.608 1.00 0.00 O ATOM 1625 CB SER A 100 23.554 -1.667 7.107 1.00 0.00 C ATOM 1626 OG SER A 100 24.270 -0.481 7.404 1.00 0.00 O ATOM 0 H SER A 100 23.692 -1.602 4.273 1.00 0.00 H new ATOM 0 HA SER A 100 25.265 -2.803 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.561 -1.411 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 100 23.414 -2.247 8.019 1.00 0.00 H new ATOM 0 HG SER A 100 23.864 -0.039 8.179 1.00 0.00 H new ATOM 1632 N ASP A 101 22.769 -3.830 4.682 1.00 0.00 N ATOM 1633 CA ASP A 101 21.934 -4.983 4.305 1.00 0.00 C ATOM 1634 C ASP A 101 20.747 -5.150 5.263 1.00 0.00 C ATOM 1635 O ASP A 101 20.076 -6.178 5.276 1.00 0.00 O ATOM 1636 CB ASP A 101 22.778 -6.268 4.249 1.00 0.00 C ATOM 1637 CG ASP A 101 22.013 -7.472 3.730 1.00 0.00 C ATOM 1638 OD1 ASP A 101 21.694 -7.506 2.525 1.00 0.00 O ATOM 1639 OD2 ASP A 101 21.751 -8.401 4.525 1.00 0.00 O ATOM 0 H ASP A 101 22.742 -3.064 4.009 1.00 0.00 H new ATOM 0 HA ASP A 101 21.531 -4.793 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 101 23.645 -6.096 3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 101 23.155 -6.490 5.247 1.00 0.00 H new ATOM 1644 N GLU A 102 20.474 -4.128 6.059 1.00 0.00 N ATOM 1645 CA GLU A 102 19.366 -4.188 7.002 1.00 0.00 C ATOM 1646 C GLU A 102 18.201 -3.346 6.501 1.00 0.00 C ATOM 1647 O GLU A 102 18.402 -2.361 5.791 1.00 0.00 O ATOM 1648 CB GLU A 102 19.816 -3.710 8.382 1.00 0.00 C ATOM 1649 CG GLU A 102 20.214 -2.245 8.433 1.00 0.00 C ATOM 1650 CD GLU A 102 20.574 -1.804 9.835 1.00 0.00 C ATOM 1651 OE1 GLU A 102 21.733 -2.015 10.250 1.00 0.00 O ATOM 1652 OE2 GLU A 102 19.695 -1.258 10.527 1.00 0.00 O ATOM 0 H GLU A 102 20.999 -3.254 6.072 1.00 0.00 H new ATOM 0 HA GLU A 102 19.035 -5.223 7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.009 -3.881 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.662 -4.316 8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.063 -2.077 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 102 19.393 -1.633 8.060 1.00 0.00 H new ATOM 1659 N ILE A 103 16.990 -3.720 6.894 1.00 0.00 N ATOM 1660 CA ILE A 103 15.792 -3.060 6.402 1.00 0.00 C ATOM 1661 C ILE A 103 15.437 -1.880 7.280 1.00 0.00 C ATOM 1662 O ILE A 103 15.416 -1.988 8.506 1.00 0.00 O ATOM 1663 CB ILE A 103 14.578 -4.012 6.358 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.863 -5.185 5.433 1.00 0.00 C ATOM 1665 CG2 ILE A 103 13.327 -3.268 5.903 1.00 0.00 C ATOM 1666 CD1 ILE A 103 13.734 -6.184 5.364 1.00 0.00 C ATOM 0 H ILE A 103 16.814 -4.478 7.553 1.00 0.00 H new ATOM 0 HA ILE A 103 16.016 -2.729 5.388 1.00 0.00 H new ATOM 0 HB ILE A 103 14.402 -4.394 7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.065 -4.807 4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 103 15.767 -5.692 5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.483 -3.957 5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 103 13.113 -2.456 6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.490 -2.858 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.005 -6.994 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.546 -6.590 6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 103 12.834 -5.691 4.998 1.00 0.00 H new ATOM 1678 N GLU A 104 15.175 -0.756 6.648 1.00 0.00 N ATOM 1679 CA GLU A 104 14.691 0.404 7.352 1.00 0.00 C ATOM 1680 C GLU A 104 13.170 0.452 7.294 1.00 0.00 C ATOM 1681 O GLU A 104 12.505 0.776 8.280 1.00 0.00 O ATOM 1682 CB GLU A 104 15.312 1.663 6.769 1.00 0.00 C ATOM 1683 CG GLU A 104 15.283 1.719 5.258 1.00 0.00 C ATOM 1684 CD GLU A 104 16.359 2.628 4.710 1.00 0.00 C ATOM 1685 OE1 GLU A 104 16.126 3.854 4.626 1.00 0.00 O ATOM 1686 OE2 GLU A 104 17.454 2.127 4.379 1.00 0.00 O ATOM 0 H GLU A 104 15.291 -0.624 5.643 1.00 0.00 H new ATOM 0 HA GLU A 104 14.984 0.341 8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.787 2.532 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.346 1.735 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.415 0.715 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.306 2.070 4.926 1.00 0.00 H new ATOM 1693 N TYR A 105 12.633 0.103 6.134 1.00 0.00 N ATOM 1694 CA TYR A 105 11.192 0.054 5.923 1.00 0.00 C ATOM 1695 C TYR A 105 10.888 -0.516 4.548 1.00 0.00 C ATOM 1696 O TYR A 105 11.797 -0.798 3.773 1.00 0.00 O ATOM 1697 CB TYR A 105 10.560 1.450 6.070 1.00 0.00 C ATOM 1698 CG TYR A 105 11.223 2.532 5.246 1.00 0.00 C ATOM 1699 CD1 TYR A 105 10.949 2.680 3.892 1.00 0.00 C ATOM 1700 CD2 TYR A 105 12.122 3.413 5.828 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.554 3.672 3.145 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.730 4.407 5.089 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.441 4.534 3.749 1.00 0.00 C ATOM 1704 OH TYR A 105 13.039 5.528 3.009 1.00 0.00 O ATOM 0 H TYR A 105 13.182 -0.154 5.314 1.00 0.00 H new ATOM 0 HA TYR A 105 10.759 -0.594 6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.509 1.390 5.788 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.592 1.740 7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.251 2.008 3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.351 3.319 6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.332 3.771 2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.429 5.082 5.560 1.00 0.00 H new ATOM 0 HH TYR A 105 13.636 6.050 3.584 1.00 0.00 H new ATOM 1714 N ILE A 106 9.614 -0.696 4.256 1.00 0.00 N ATOM 1715 CA ILE A 106 9.190 -1.197 2.962 1.00 0.00 C ATOM 1716 C ILE A 106 8.759 -0.034 2.077 1.00 0.00 C ATOM 1717 O ILE A 106 8.160 0.927 2.559 1.00 0.00 O ATOM 1718 CB ILE A 106 8.008 -2.191 3.092 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.379 -3.360 4.002 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.572 -2.707 1.723 1.00 0.00 C ATOM 1721 CD1 ILE A 106 7.235 -4.324 4.235 1.00 0.00 C ATOM 0 H ILE A 106 8.849 -0.501 4.903 1.00 0.00 H new ATOM 0 HA ILE A 106 10.036 -1.722 2.518 1.00 0.00 H new ATOM 0 HB ILE A 106 7.171 -1.654 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 106 9.217 -3.901 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.718 -2.971 4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.741 -3.402 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.256 -1.869 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.407 -3.219 1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.566 -5.130 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.404 -3.796 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.910 -4.741 3.282 1.00 0.00 H new ATOM 1733 N ILE A 107 9.036 -0.136 0.792 1.00 0.00 N ATOM 1734 CA ILE A 107 8.594 0.867 -0.161 1.00 0.00 C ATOM 1735 C ILE A 107 7.653 0.198 -1.142 1.00 0.00 C ATOM 1736 O ILE A 107 8.053 -0.707 -1.873 1.00 0.00 O ATOM 1737 CB ILE A 107 9.763 1.526 -0.931 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.655 2.319 0.028 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.232 2.430 -2.040 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.779 3.065 -0.660 1.00 0.00 C ATOM 0 H ILE A 107 9.566 -0.905 0.382 1.00 0.00 H new ATOM 0 HA ILE A 107 8.098 1.665 0.392 1.00 0.00 H new ATOM 0 HB ILE A 107 10.362 0.739 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.040 3.033 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.081 1.636 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.069 2.885 -2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.638 1.840 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.610 3.212 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.367 3.603 0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.419 2.356 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.361 3.774 -1.374 1.00 0.00 H new ATOM 1752 N CYS A 108 6.402 0.609 -1.134 1.00 0.00 N ATOM 1753 CA CYS A 108 5.403 -0.049 -1.942 1.00 0.00 C ATOM 1754 C CYS A 108 4.812 0.899 -2.968 1.00 0.00 C ATOM 1755 O CYS A 108 4.509 2.057 -2.673 1.00 0.00 O ATOM 1756 CB CYS A 108 4.302 -0.632 -1.052 1.00 0.00 C ATOM 1757 SG CYS A 108 3.507 0.570 0.041 1.00 0.00 S ATOM 0 H CYS A 108 6.056 1.392 -0.579 1.00 0.00 H new ATOM 0 HA CYS A 108 5.887 -0.863 -2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.541 -1.086 -1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 108 4.728 -1.431 -0.445 1.00 0.00 H new ATOM 0 HG CYS A 108 4.246 1.636 0.124 1.00 0.00 H new ATOM 1763 N THR A 109 4.688 0.406 -4.183 1.00 0.00 N ATOM 1764 CA THR A 109 3.988 1.117 -5.226 1.00 0.00 C ATOM 1765 C THR A 109 2.544 0.639 -5.259 1.00 0.00 C ATOM 1766 O THR A 109 2.278 -0.550 -5.439 1.00 0.00 O ATOM 1767 CB THR A 109 4.649 0.892 -6.601 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.052 1.175 -6.514 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.014 1.777 -7.666 1.00 0.00 C ATOM 0 H THR A 109 5.069 -0.495 -4.472 1.00 0.00 H new ATOM 0 HA THR A 109 4.028 2.185 -5.012 1.00 0.00 H new ATOM 0 HB THR A 109 4.499 -0.149 -6.886 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.470 1.030 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.500 1.597 -8.625 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.952 1.544 -7.747 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.135 2.824 -7.388 1.00 0.00 H new ATOM 1777 N ASN A 110 1.622 1.563 -5.079 1.00 0.00 N ATOM 1778 CA ASN A 110 0.215 1.223 -4.982 1.00 0.00 C ATOM 1779 C ASN A 110 -0.500 1.680 -6.239 1.00 0.00 C ATOM 1780 O ASN A 110 -0.678 2.876 -6.461 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.396 1.886 -3.742 1.00 0.00 C ATOM 1782 CG ASN A 110 0.170 1.333 -2.446 1.00 0.00 C ATOM 1783 OD1 ASN A 110 -0.505 0.350 -1.874 1.00 0.00 O flip ATOM 1784 ND2 ASN A 110 1.201 1.794 -1.953 1.00 0.00 N flip ATOM 0 H ASN A 110 1.822 2.560 -4.997 1.00 0.00 H new ATOM 0 HA ASN A 110 0.104 0.143 -4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.217 2.960 -3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.476 1.742 -3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 110 1.696 2.553 -2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 110 1.560 1.417 -1.076 1.00 0.00 H new ATOM 1791 N THR A 111 -0.909 0.727 -7.062 1.00 0.00 N ATOM 1792 CA THR A 111 -1.485 1.041 -8.356 1.00 0.00 C ATOM 1793 C THR A 111 -2.929 0.558 -8.450 1.00 0.00 C ATOM 1794 O THR A 111 -3.233 -0.593 -8.136 1.00 0.00 O ATOM 1795 CB THR A 111 -0.655 0.393 -9.480 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.724 0.749 -9.328 1.00 0.00 O ATOM 1797 CG2 THR A 111 -1.140 0.831 -10.851 1.00 0.00 C ATOM 0 H THR A 111 -0.852 -0.270 -6.855 1.00 0.00 H new ATOM 0 HA THR A 111 -1.473 2.125 -8.470 1.00 0.00 H new ATOM 0 HB THR A 111 -0.773 -0.688 -9.405 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.250 0.334 -10.043 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.533 0.355 -11.621 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.182 0.539 -10.979 1.00 0.00 H new ATOM 0 HG23 THR A 111 -1.054 1.914 -10.939 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.810 1.446 -8.882 1.00 0.00 N ATOM 1806 CA ASN A 112 -5.211 1.110 -9.074 1.00 0.00 C ATOM 1807 C ASN A 112 -5.410 0.452 -10.434 1.00 0.00 C ATOM 1808 O ASN A 112 -5.223 1.088 -11.474 1.00 0.00 O ATOM 1809 CB ASN A 112 -6.073 2.373 -8.985 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.563 2.074 -8.950 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -8.373 2.847 -9.456 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.940 0.958 -8.342 1.00 0.00 N ATOM 0 H ASN A 112 -3.576 2.413 -9.108 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.513 0.414 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.799 2.931 -8.090 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.857 3.015 -9.839 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.930 0.718 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.240 0.339 -7.933 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.765 -0.824 -10.432 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.030 -1.535 -11.672 1.00 0.00 C ATOM 1821 C VAL A 113 -7.521 -1.489 -11.968 1.00 0.00 C ATOM 1822 O VAL A 113 -8.002 -0.641 -12.718 1.00 0.00 O ATOM 1823 CB VAL A 113 -5.576 -3.010 -11.593 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -5.600 -3.659 -12.970 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.196 -3.124 -10.960 1.00 0.00 C ATOM 0 H VAL A 113 -5.876 -1.386 -9.588 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.465 -1.048 -12.467 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.280 -3.545 -10.956 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.277 -4.697 -12.889 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.613 -3.625 -13.371 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.928 -3.121 -13.638 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.901 -4.172 -10.917 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.474 -2.568 -11.559 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.224 -2.713 -9.951 1.00 0.00 H new ATOM 1835 N LYS A 114 -8.245 -2.418 -11.367 1.00 0.00 N ATOM 1836 CA LYS A 114 -9.691 -2.407 -11.413 1.00 0.00 C ATOM 1837 C LYS A 114 -10.221 -1.783 -10.135 1.00 0.00 C ATOM 1838 O LYS A 114 -9.476 -1.587 -9.181 1.00 0.00 O ATOM 1839 CB LYS A 114 -10.232 -3.831 -11.576 1.00 0.00 C ATOM 1840 CG LYS A 114 -9.674 -4.560 -12.790 1.00 0.00 C ATOM 1841 CD LYS A 114 -10.361 -5.900 -13.008 1.00 0.00 C ATOM 1842 CE LYS A 114 -11.809 -5.724 -13.440 1.00 0.00 C ATOM 1843 NZ LYS A 114 -12.470 -7.026 -13.710 1.00 0.00 N ATOM 0 H LYS A 114 -7.847 -3.194 -10.838 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.023 -1.820 -12.269 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.998 -4.404 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.318 -3.791 -11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.799 -3.939 -13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.603 -4.717 -12.660 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.821 -6.467 -13.766 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.324 -6.483 -12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.358 -5.193 -12.662 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.847 -5.105 -14.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.455 -6.862 -14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.962 -7.522 -14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.457 -7.607 -12.848 1.00 0.00 H new ATOM 1857 N ASN A 115 -11.495 -1.459 -10.111 1.00 0.00 N ATOM 1858 CA ASN A 115 -12.088 -0.880 -8.914 1.00 0.00 C ATOM 1859 C ASN A 115 -13.145 -1.806 -8.337 1.00 0.00 C ATOM 1860 O ASN A 115 -13.861 -1.436 -7.410 1.00 0.00 O ATOM 1861 CB ASN A 115 -12.685 0.501 -9.201 1.00 0.00 C ATOM 1862 CG ASN A 115 -13.944 0.447 -10.051 1.00 0.00 C ATOM 1863 OD1 ASN A 115 -13.878 0.457 -11.277 1.00 0.00 O ATOM 1864 ND2 ASN A 115 -15.104 0.399 -9.407 1.00 0.00 N ATOM 0 H ASN A 115 -12.138 -1.582 -10.893 1.00 0.00 H new ATOM 0 HA ASN A 115 -11.294 -0.756 -8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -12.914 0.994 -8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -11.939 1.114 -9.707 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -15.978 0.369 -9.932 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -15.121 0.392 -8.387 1.00 0.00 H new ATOM 1871 N SER A 116 -13.216 -3.012 -8.899 1.00 0.00 N ATOM 1872 CA SER A 116 -14.157 -4.039 -8.458 1.00 0.00 C ATOM 1873 C SER A 116 -15.595 -3.645 -8.787 1.00 0.00 C ATOM 1874 O SER A 116 -16.172 -4.142 -9.755 1.00 0.00 O ATOM 1875 CB SER A 116 -14.000 -4.318 -6.952 1.00 0.00 C ATOM 1876 OG SER A 116 -14.758 -5.446 -6.540 1.00 0.00 O ATOM 0 H SER A 116 -12.621 -3.304 -9.674 1.00 0.00 H new ATOM 0 HA SER A 116 -13.927 -4.956 -9.000 1.00 0.00 H new ATOM 0 HB2 SER A 116 -12.948 -4.484 -6.721 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.316 -3.442 -6.386 1.00 0.00 H new ATOM 0 HG SER A 116 -15.695 -5.185 -6.422 1.00 0.00 H new ATOM 1882 N SER A 117 -16.152 -2.731 -8.011 1.00 0.00 N ATOM 1883 CA SER A 117 -17.548 -2.364 -8.146 1.00 0.00 C ATOM 1884 C SER A 117 -17.815 -0.993 -7.536 1.00 0.00 C ATOM 1885 O SER A 117 -16.903 -0.351 -7.011 1.00 0.00 O ATOM 1886 CB SER A 117 -18.413 -3.432 -7.475 1.00 0.00 C ATOM 1887 OG SER A 117 -17.773 -3.953 -6.320 1.00 0.00 O ATOM 0 H SER A 117 -15.654 -2.228 -7.277 1.00 0.00 H new ATOM 0 HA SER A 117 -17.800 -2.305 -9.205 1.00 0.00 H new ATOM 0 HB2 SER A 117 -19.377 -3.004 -7.199 1.00 0.00 H new ATOM 0 HB3 SER A 117 -18.613 -4.239 -8.180 1.00 0.00 H new ATOM 0 HG SER A 117 -18.346 -4.633 -5.907 1.00 0.00 H new ATOM 1893 N GLN A 118 -19.062 -0.550 -7.629 1.00 0.00 N ATOM 1894 CA GLN A 118 -19.478 0.721 -7.055 1.00 0.00 C ATOM 1895 C GLN A 118 -20.764 0.516 -6.258 1.00 0.00 C ATOM 1896 O GLN A 118 -21.856 0.840 -6.730 1.00 0.00 O ATOM 1897 CB GLN A 118 -19.695 1.759 -8.164 1.00 0.00 C ATOM 1898 CG GLN A 118 -19.974 3.161 -7.644 1.00 0.00 C ATOM 1899 CD GLN A 118 -18.787 3.757 -6.918 1.00 0.00 C ATOM 1900 OE1 GLN A 118 -18.627 3.582 -5.713 1.00 0.00 O ATOM 1901 NE2 GLN A 118 -17.956 4.481 -7.649 1.00 0.00 N ATOM 0 H GLN A 118 -19.809 -1.059 -8.102 1.00 0.00 H new ATOM 0 HA GLN A 118 -18.698 1.091 -6.390 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -18.811 1.787 -8.801 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -20.529 1.440 -8.789 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -20.247 3.807 -8.479 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -20.830 3.131 -6.970 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -18.127 4.601 -8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -17.144 4.920 -7.214 1.00 0.00 H new ATOM 1910 N GLU A 119 -20.618 -0.033 -5.052 1.00 0.00 N ATOM 1911 CA GLU A 119 -21.753 -0.416 -4.214 1.00 0.00 C ATOM 1912 C GLU A 119 -22.633 -1.426 -4.942 1.00 0.00 C ATOM 1913 O GLU A 119 -22.231 -2.606 -5.032 1.00 0.00 O ATOM 1914 CB GLU A 119 -22.576 0.807 -3.796 1.00 0.00 C ATOM 1915 CG GLU A 119 -21.794 1.834 -2.997 1.00 0.00 C ATOM 1916 CD GLU A 119 -22.643 3.024 -2.610 1.00 0.00 C ATOM 1917 OE1 GLU A 119 -22.700 3.998 -3.391 1.00 0.00 O ATOM 1918 OE2 GLU A 119 -23.263 2.991 -1.529 1.00 0.00 O ATOM 1919 OXT GLU A 119 -23.722 -1.044 -5.424 1.00 0.00 O ATOM 0 H GLU A 119 -19.710 -0.224 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.360 -0.879 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -22.976 1.285 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -23.428 0.473 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -21.396 1.365 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -20.940 2.174 -3.583 1.00 0.00 H new TER 1926 GLU A 119