USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 848 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: B 28 LYS NZ :NH3+ 160:sc= 0.977 (180deg=0) USER MOD Set 1.2: B 32 GLN : amide:sc= 0.761 K(o=1.7,f=-3.1) USER MOD Set 2.1: B 8 ASN : amide:sc= 0.535 K(o=0.53,f=0) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 THR OG1 : rot -38:sc= 0.264 USER MOD Set 3.2: A 51 THR OG1 : rot 58:sc= 1.18 USER MOD Set 4.1: A 8 ASN : amide:sc= 0.552 K(o=0.55,f=0) USER MOD Set 4.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.0053) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.695 (180deg=0.65) USER MOD Single : A 2 GLN : amide:sc= 0.0766 X(o=0.077,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= 0.801 (180deg=0.434) USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.01) USER MOD Single : A 11 THR OG1 : rot 76:sc= 0.00321 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 94:sc= 1.2 USER MOD Single : A 25 THR OG1 : rot -150:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 1.22 (180deg=0.994) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 150:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.37 K(o=1.4,f=-4.5!) USER MOD Single : A 37 ASN : amide:sc= 0.824 K(o=0.82,f=-4.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -150:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= 0.449 (180deg=0.0668) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -175:sc= 0 (180deg=-0.0154) USER MOD Single : B 1 MET N :NH3+ 179:sc= 1 (180deg=0.998) USER MOD Single : B 2 GLN : amide:sc= 0.362 X(o=0.36,f=0) USER MOD Single : B 3 TYR OH : rot -82:sc= 0.0317 USER MOD Single : B 4 LYS NZ :NH3+ -102:sc= 0.181 (180deg=-0.0354) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.116 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 95:sc= 1.15 USER MOD Single : B 25 THR OG1 : rot -140:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.987) USER MOD Single : B 33 TYR OH : rot 150:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : B 37 ASN : amide:sc= -0.412 K(o=-0.41,f=-7.3!) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -156:sc= 1.26 USER MOD Single : B 49 THR OG1 : rot -92:sc= 0.98 USER MOD Single : B 50 LYS NZ :NH3+ -158:sc= 0.552 (180deg=0.303) USER MOD Single : B 51 THR OG1 : rot 62:sc= 1.17 USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.233 9.221 -16.969 1.00 0.00 N ATOM 2 CA MET A 1 -5.280 8.202 -16.698 1.00 0.00 C ATOM 3 C MET A 1 -5.091 7.599 -15.308 1.00 0.00 C ATOM 4 O MET A 1 -3.958 7.415 -14.865 1.00 0.00 O ATOM 5 CB MET A 1 -5.288 7.123 -17.802 1.00 0.00 C ATOM 6 CG MET A 1 -6.375 6.053 -17.633 1.00 0.00 C ATOM 7 SD MET A 1 -8.067 6.698 -17.476 1.00 0.00 S ATOM 8 CE MET A 1 -8.966 5.146 -17.199 1.00 0.00 C ATOM 0 H1 MET A 1 -4.281 9.511 -17.967 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.389 10.050 -16.360 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.296 8.817 -16.770 1.00 0.00 H new ATOM 0 HA MET A 1 -6.256 8.686 -16.713 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.421 7.610 -18.768 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.314 6.634 -17.823 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.337 5.379 -18.489 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.145 5.459 -16.749 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.024 5.361 -17.045 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.850 4.498 -18.068 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.565 4.646 -16.317 1.00 0.00 H new ATOM 20 N GLN A 2 -6.193 7.306 -14.610 1.00 0.00 N ATOM 21 CA GLN A 2 -6.191 6.591 -13.321 1.00 0.00 C ATOM 22 C GLN A 2 -5.876 5.091 -13.516 1.00 0.00 C ATOM 23 O GLN A 2 -6.454 4.436 -14.387 1.00 0.00 O ATOM 24 CB GLN A 2 -7.564 6.741 -12.634 1.00 0.00 C ATOM 25 CG GLN A 2 -7.521 6.447 -11.124 1.00 0.00 C ATOM 26 CD GLN A 2 -7.277 7.700 -10.311 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.201 8.406 -9.929 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.036 8.009 -10.020 1.00 0.00 N ATOM 0 H GLN A 2 -7.129 7.561 -14.926 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.415 7.030 -12.694 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.932 7.755 -12.790 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.276 6.066 -13.109 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.462 5.992 -10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.734 5.722 -10.918 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.273 7.414 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.834 8.844 -9.471 1.00 0.00 H new ATOM 37 N TYR A 3 -4.982 4.547 -12.691 1.00 0.00 N ATOM 38 CA TYR A 3 -4.676 3.114 -12.569 1.00 0.00 C ATOM 39 C TYR A 3 -4.833 2.626 -11.117 1.00 0.00 C ATOM 40 O TYR A 3 -4.733 3.428 -10.184 1.00 0.00 O ATOM 41 CB TYR A 3 -3.257 2.855 -13.086 1.00 0.00 C ATOM 42 CG TYR A 3 -3.077 3.113 -14.572 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.756 4.403 -15.038 1.00 0.00 C ATOM 44 CD2 TYR A 3 -3.234 2.061 -15.493 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.612 4.643 -16.417 1.00 0.00 C ATOM 46 CE2 TYR A 3 -3.096 2.305 -16.871 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.800 3.598 -17.333 1.00 0.00 C ATOM 48 OH TYR A 3 -2.699 3.836 -18.670 1.00 0.00 O ATOM 0 H TYR A 3 -4.422 5.117 -12.057 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.387 2.550 -13.172 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.561 3.485 -12.533 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.989 1.820 -12.874 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.620 5.211 -14.334 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.461 1.065 -15.141 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.357 5.631 -16.770 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.218 1.496 -17.576 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.856 3.004 -19.163 1.00 0.00 H new ATOM 58 N LYS A 4 -5.010 1.320 -10.907 1.00 0.00 N ATOM 59 CA LYS A 4 -5.281 0.711 -9.592 1.00 0.00 C ATOM 60 C LYS A 4 -4.439 -0.562 -9.334 1.00 0.00 C ATOM 61 O LYS A 4 -4.094 -1.277 -10.272 1.00 0.00 O ATOM 62 CB LYS A 4 -6.794 0.425 -9.532 1.00 0.00 C ATOM 63 CG LYS A 4 -7.280 -0.082 -8.168 1.00 0.00 C ATOM 64 CD LYS A 4 -8.787 -0.358 -8.170 1.00 0.00 C ATOM 65 CE LYS A 4 -9.165 -0.922 -6.798 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.570 -1.368 -6.734 1.00 0.00 N ATOM 0 H LYS A 4 -4.969 0.635 -11.662 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.987 1.399 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.336 1.337 -9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.044 -0.314 -10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.743 -0.994 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.046 0.656 -7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.342 0.558 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.044 -1.066 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.510 -1.761 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.995 -0.160 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.671 -2.094 -5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.182 -0.558 -6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.850 -1.767 -7.653 1.00 0.00 H new ATOM 80 N LEU A 5 -4.158 -0.874 -8.064 1.00 0.00 N ATOM 81 CA LEU A 5 -3.346 -2.002 -7.582 1.00 0.00 C ATOM 82 C LEU A 5 -4.079 -2.752 -6.452 1.00 0.00 C ATOM 83 O LEU A 5 -4.346 -2.181 -5.393 1.00 0.00 O ATOM 84 CB LEU A 5 -2.001 -1.428 -7.095 1.00 0.00 C ATOM 85 CG LEU A 5 -0.821 -2.371 -6.790 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.040 -3.298 -5.598 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.423 -3.212 -7.999 1.00 0.00 C ATOM 0 H LEU A 5 -4.514 -0.309 -7.293 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.175 -2.724 -8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.661 -0.718 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.202 -0.858 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.012 -1.689 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.159 -3.925 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.209 -2.703 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.909 -3.930 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.412 -3.860 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.270 -3.823 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.127 -2.556 -8.817 1.00 0.00 H new ATOM 99 N ILE A 6 -4.397 -4.028 -6.665 1.00 0.00 N ATOM 100 CA ILE A 6 -4.989 -4.931 -5.663 1.00 0.00 C ATOM 101 C ILE A 6 -3.871 -5.719 -4.966 1.00 0.00 C ATOM 102 O ILE A 6 -3.107 -6.429 -5.625 1.00 0.00 O ATOM 103 CB ILE A 6 -6.000 -5.896 -6.329 1.00 0.00 C ATOM 104 CG1 ILE A 6 -7.071 -5.097 -7.105 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.629 -6.825 -5.268 1.00 0.00 C ATOM 106 CD1 ILE A 6 -8.105 -5.959 -7.837 1.00 0.00 C ATOM 0 H ILE A 6 -4.247 -4.482 -7.566 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.528 -4.340 -4.922 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.477 -6.526 -7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.592 -4.441 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.572 -4.456 -7.832 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.338 -7.499 -5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.845 -7.408 -4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.148 -6.225 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.816 -5.314 -8.353 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.599 -6.596 -8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.636 -6.581 -7.116 1.00 0.00 H new ATOM 118 N LEU A 7 -3.777 -5.619 -3.639 1.00 0.00 N ATOM 119 CA LEU A 7 -2.769 -6.278 -2.811 1.00 0.00 C ATOM 120 C LEU A 7 -3.365 -7.501 -2.084 1.00 0.00 C ATOM 121 O LEU A 7 -4.274 -7.381 -1.255 1.00 0.00 O ATOM 122 CB LEU A 7 -2.176 -5.251 -1.830 1.00 0.00 C ATOM 123 CG LEU A 7 -1.139 -5.856 -0.868 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.162 -6.218 -1.578 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.820 -4.875 0.250 1.00 0.00 C ATOM 0 H LEU A 7 -4.427 -5.055 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.965 -6.657 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.709 -4.445 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.984 -4.806 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.581 -6.767 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.863 -6.641 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.042 -6.949 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.595 -5.322 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.085 -5.317 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.416 -3.957 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.730 -4.648 0.805 1.00 0.00 H new ATOM 137 N ASN A 8 -2.791 -8.663 -2.377 1.00 0.00 N ATOM 138 CA ASN A 8 -3.033 -9.916 -1.672 1.00 0.00 C ATOM 139 C ASN A 8 -1.732 -10.429 -1.027 1.00 0.00 C ATOM 140 O ASN A 8 -0.637 -10.292 -1.579 1.00 0.00 O ATOM 141 CB ASN A 8 -3.619 -10.975 -2.617 1.00 0.00 C ATOM 142 CG ASN A 8 -4.675 -10.474 -3.583 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.865 -10.436 -3.292 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.247 -10.130 -4.776 1.00 0.00 N ATOM 0 H ASN A 8 -2.120 -8.761 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.762 -9.727 -0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.804 -11.414 -3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.052 -11.774 -2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.911 -9.822 -5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.251 -10.171 -4.992 1.00 0.00 H new ATOM 151 N GLY A 9 -1.868 -11.057 0.134 1.00 0.00 N ATOM 152 CA GLY A 9 -0.751 -11.625 0.894 1.00 0.00 C ATOM 153 C GLY A 9 -1.130 -12.147 2.282 1.00 0.00 C ATOM 154 O GLY A 9 -2.307 -12.292 2.621 1.00 0.00 O ATOM 0 H GLY A 9 -2.773 -11.191 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.315 -12.442 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.022 -10.864 1.004 1.00 0.00 H new ATOM 158 N LYS A 10 -0.103 -12.406 3.084 1.00 0.00 N ATOM 159 CA LYS A 10 -0.164 -12.852 4.484 1.00 0.00 C ATOM 160 C LYS A 10 0.554 -11.879 5.445 1.00 0.00 C ATOM 161 O LYS A 10 0.191 -11.781 6.619 1.00 0.00 O ATOM 162 CB LYS A 10 0.372 -14.286 4.619 1.00 0.00 C ATOM 163 CG LYS A 10 1.726 -14.505 3.930 1.00 0.00 C ATOM 164 CD LYS A 10 2.238 -15.933 4.151 1.00 0.00 C ATOM 165 CE LYS A 10 3.151 -16.345 2.997 1.00 0.00 C ATOM 166 NZ LYS A 10 4.415 -15.579 2.951 1.00 0.00 N ATOM 0 H LYS A 10 0.859 -12.306 2.759 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.213 -12.852 4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.469 -14.530 5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.357 -14.978 4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.628 -14.313 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.453 -13.791 4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.781 -15.992 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.397 -16.622 4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.380 -17.407 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.618 -16.211 2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.124 -16.111 2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.247 -14.659 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.764 -15.427 3.919 1.00 0.00 H new ATOM 180 N THR A 11 1.521 -11.104 4.943 1.00 0.00 N ATOM 181 CA THR A 11 2.153 -9.983 5.668 1.00 0.00 C ATOM 182 C THR A 11 1.278 -8.716 5.622 1.00 0.00 C ATOM 183 O THR A 11 1.183 -7.966 6.598 1.00 0.00 O ATOM 184 CB THR A 11 3.518 -9.633 5.033 1.00 0.00 C ATOM 185 OG1 THR A 11 4.300 -10.785 4.789 1.00 0.00 O ATOM 186 CG2 THR A 11 4.350 -8.683 5.901 1.00 0.00 C ATOM 0 H THR A 11 1.897 -11.236 4.004 1.00 0.00 H new ATOM 0 HA THR A 11 2.278 -10.305 6.702 1.00 0.00 H new ATOM 0 HB THR A 11 3.269 -9.141 4.093 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.956 -11.253 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.297 -8.473 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.803 -7.752 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.542 -9.148 6.868 1.00 0.00 H new ATOM 194 N LEU A 12 0.632 -8.478 4.476 1.00 0.00 N ATOM 195 CA LEU A 12 -0.233 -7.325 4.209 1.00 0.00 C ATOM 196 C LEU A 12 -1.326 -7.661 3.164 1.00 0.00 C ATOM 197 O LEU A 12 -1.107 -8.483 2.271 1.00 0.00 O ATOM 198 CB LEU A 12 0.682 -6.163 3.755 1.00 0.00 C ATOM 199 CG LEU A 12 0.071 -4.754 3.855 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.163 -4.342 5.305 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.016 -3.713 3.258 1.00 0.00 C ATOM 0 H LEU A 12 0.700 -9.109 3.677 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.777 -7.036 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.593 -6.187 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.975 -6.339 2.720 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.874 -4.794 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.595 -3.342 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.847 -5.047 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.786 -4.343 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.565 -2.724 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.961 -3.726 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.197 -3.945 2.208 1.00 0.00 H new ATOM 213 N LYS A 13 -2.478 -6.997 3.244 1.00 0.00 N ATOM 214 CA LYS A 13 -3.557 -7.012 2.236 1.00 0.00 C ATOM 215 C LYS A 13 -4.084 -5.580 2.017 1.00 0.00 C ATOM 216 O LYS A 13 -3.938 -4.746 2.910 1.00 0.00 O ATOM 217 CB LYS A 13 -4.713 -7.912 2.705 1.00 0.00 C ATOM 218 CG LYS A 13 -4.346 -9.398 2.834 1.00 0.00 C ATOM 219 CD LYS A 13 -5.582 -10.212 3.245 1.00 0.00 C ATOM 220 CE LYS A 13 -5.232 -11.697 3.398 1.00 0.00 C ATOM 221 NZ LYS A 13 -6.404 -12.499 3.807 1.00 0.00 N ATOM 0 H LYS A 13 -2.702 -6.406 4.044 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.156 -7.403 1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.069 -7.553 3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.542 -7.814 2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.956 -9.768 1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.556 -9.523 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.979 -9.829 4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.366 -10.094 2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.843 -12.078 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.439 -11.809 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.126 -13.497 3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.760 -12.152 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.151 -12.413 3.089 1.00 0.00 H new ATOM 235 N GLY A 14 -4.692 -5.258 0.872 1.00 0.00 N ATOM 236 CA GLY A 14 -5.196 -3.894 0.611 1.00 0.00 C ATOM 237 C GLY A 14 -5.526 -3.550 -0.847 1.00 0.00 C ATOM 238 O GLY A 14 -5.555 -4.420 -1.720 1.00 0.00 O ATOM 0 H GLY A 14 -4.850 -5.916 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.095 -3.743 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.452 -3.182 0.969 1.00 0.00 H new ATOM 242 N GLU A 15 -5.745 -2.257 -1.111 1.00 0.00 N ATOM 243 CA GLU A 15 -5.916 -1.663 -2.457 1.00 0.00 C ATOM 244 C GLU A 15 -5.352 -0.241 -2.525 1.00 0.00 C ATOM 245 O GLU A 15 -5.551 0.555 -1.605 1.00 0.00 O ATOM 246 CB GLU A 15 -7.395 -1.582 -2.877 1.00 0.00 C ATOM 247 CG GLU A 15 -8.105 -2.932 -2.976 1.00 0.00 C ATOM 248 CD GLU A 15 -9.534 -2.738 -3.461 1.00 0.00 C ATOM 249 OE1 GLU A 15 -10.366 -2.217 -2.685 1.00 0.00 O ATOM 250 OE2 GLU A 15 -9.826 -3.103 -4.620 1.00 0.00 O ATOM 0 H GLU A 15 -5.812 -1.561 -0.368 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.372 -2.325 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.929 -0.958 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.457 -1.082 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.566 -3.586 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.107 -3.423 -2.003 1.00 0.00 H new ATOM 257 N THR A 16 -4.683 0.087 -3.630 1.00 0.00 N ATOM 258 CA THR A 16 -4.118 1.427 -3.892 1.00 0.00 C ATOM 259 C THR A 16 -4.404 1.934 -5.317 1.00 0.00 C ATOM 260 O THR A 16 -4.783 1.171 -6.210 1.00 0.00 O ATOM 261 CB THR A 16 -2.603 1.516 -3.593 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.826 1.006 -4.645 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.144 0.775 -2.335 1.00 0.00 C ATOM 0 H THR A 16 -4.511 -0.576 -4.386 1.00 0.00 H new ATOM 0 HA THR A 16 -4.636 2.082 -3.192 1.00 0.00 H new ATOM 0 HB THR A 16 -2.454 2.586 -3.450 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.876 1.082 -4.417 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.068 0.898 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.657 1.184 -1.464 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.380 -0.285 -2.431 1.00 0.00 H new ATOM 271 N THR A 17 -4.282 3.243 -5.532 1.00 0.00 N ATOM 272 CA THR A 17 -4.660 3.935 -6.779 1.00 0.00 C ATOM 273 C THR A 17 -3.724 5.120 -7.062 1.00 0.00 C ATOM 274 O THR A 17 -3.327 5.844 -6.139 1.00 0.00 O ATOM 275 CB THR A 17 -6.121 4.453 -6.712 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.975 3.593 -5.982 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.763 4.615 -8.085 1.00 0.00 C ATOM 0 H THR A 17 -3.907 3.877 -4.826 1.00 0.00 H new ATOM 0 HA THR A 17 -4.573 3.207 -7.585 1.00 0.00 H new ATOM 0 HB THR A 17 -6.025 5.419 -6.217 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.881 3.966 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.783 4.980 -7.969 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.187 5.329 -8.674 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.778 3.652 -8.595 1.00 0.00 H new ATOM 285 N THR A 18 -3.372 5.338 -8.334 1.00 0.00 N ATOM 286 CA THR A 18 -2.474 6.408 -8.813 1.00 0.00 C ATOM 287 C THR A 18 -2.949 6.948 -10.175 1.00 0.00 C ATOM 288 O THR A 18 -3.790 6.337 -10.837 1.00 0.00 O ATOM 289 CB THR A 18 -1.020 5.889 -8.950 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.109 6.954 -9.097 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.797 4.948 -10.143 1.00 0.00 C ATOM 0 H THR A 18 -3.717 4.752 -9.094 1.00 0.00 H new ATOM 0 HA THR A 18 -2.499 7.212 -8.078 1.00 0.00 H new ATOM 0 HB THR A 18 -0.850 5.333 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.249 7.201 -8.219 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.246 4.631 -10.166 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.440 4.074 -10.042 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.038 5.471 -11.069 1.00 0.00 H new ATOM 299 N GLU A 19 -2.422 8.094 -10.604 1.00 0.00 N ATOM 300 CA GLU A 19 -2.640 8.708 -11.932 1.00 0.00 C ATOM 301 C GLU A 19 -1.307 8.883 -12.649 1.00 0.00 C ATOM 302 O GLU A 19 -0.380 9.492 -12.110 1.00 0.00 O ATOM 303 CB GLU A 19 -3.397 10.040 -11.812 1.00 0.00 C ATOM 304 CG GLU A 19 -3.734 10.647 -13.172 1.00 0.00 C ATOM 305 CD GLU A 19 -4.587 11.894 -12.991 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.025 12.955 -12.642 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.814 11.810 -13.221 1.00 0.00 O ATOM 0 H GLU A 19 -1.803 8.652 -10.016 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.264 8.041 -12.527 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.318 9.881 -11.251 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.794 10.747 -11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.817 10.899 -13.704 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.267 9.918 -13.782 1.00 0.00 H new ATOM 314 N ALA A 20 -1.200 8.315 -13.847 1.00 0.00 N ATOM 315 CA ALA A 20 0.021 8.215 -14.625 1.00 0.00 C ATOM 316 C ALA A 20 -0.233 8.556 -16.100 1.00 0.00 C ATOM 317 O ALA A 20 -1.377 8.575 -16.572 1.00 0.00 O ATOM 318 CB ALA A 20 0.515 6.777 -14.495 1.00 0.00 C ATOM 0 H ALA A 20 -2.001 7.895 -14.319 1.00 0.00 H new ATOM 0 HA ALA A 20 0.763 8.923 -14.256 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.435 6.655 -15.067 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.707 6.552 -13.446 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.244 6.095 -14.880 1.00 0.00 H new ATOM 324 N VAL A 21 0.850 8.781 -16.840 1.00 0.00 N ATOM 325 CA VAL A 21 0.776 8.962 -18.303 1.00 0.00 C ATOM 326 C VAL A 21 0.309 7.662 -18.976 1.00 0.00 C ATOM 327 O VAL A 21 -0.617 7.679 -19.791 1.00 0.00 O ATOM 328 CB VAL A 21 2.101 9.511 -18.863 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.319 8.698 -18.409 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.099 9.627 -20.388 1.00 0.00 C ATOM 0 H VAL A 21 1.794 8.844 -16.458 1.00 0.00 H new ATOM 0 HA VAL A 21 0.027 9.718 -18.537 1.00 0.00 H new ATOM 0 HB VAL A 21 2.184 10.514 -18.446 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.224 9.131 -18.834 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.384 8.717 -17.321 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.216 7.667 -18.749 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.059 10.019 -20.724 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.935 8.643 -20.828 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.302 10.301 -20.701 1.00 0.00 H new ATOM 340 N ASP A 22 0.886 6.528 -18.556 1.00 0.00 N ATOM 341 CA ASP A 22 0.563 5.188 -19.070 1.00 0.00 C ATOM 342 C ASP A 22 0.790 4.074 -18.037 1.00 0.00 C ATOM 343 O ASP A 22 1.430 4.275 -17.004 1.00 0.00 O ATOM 344 CB ASP A 22 1.445 4.908 -20.310 1.00 0.00 C ATOM 345 CG ASP A 22 0.738 4.136 -21.444 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.594 2.895 -21.341 1.00 0.00 O ATOM 347 OD2 ASP A 22 0.356 4.773 -22.456 1.00 0.00 O ATOM 0 H ASP A 22 1.606 6.515 -17.834 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.498 5.183 -19.320 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.804 5.858 -20.705 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.321 4.342 -19.995 1.00 0.00 H new ATOM 352 N ALA A 23 0.324 2.881 -18.387 1.00 0.00 N ATOM 353 CA ALA A 23 0.463 1.633 -17.636 1.00 0.00 C ATOM 354 C ALA A 23 1.924 1.307 -17.251 1.00 0.00 C ATOM 355 O ALA A 23 2.163 0.621 -16.262 1.00 0.00 O ATOM 356 CB ALA A 23 -0.161 0.499 -18.459 1.00 0.00 C ATOM 0 H ALA A 23 -0.193 2.748 -19.256 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.062 1.748 -16.688 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.067 -0.440 -17.914 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.215 0.713 -18.633 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.355 0.417 -19.416 1.00 0.00 H new ATOM 362 N ALA A 24 2.902 1.830 -17.995 1.00 0.00 N ATOM 363 CA ALA A 24 4.326 1.680 -17.753 1.00 0.00 C ATOM 364 C ALA A 24 4.801 2.583 -16.599 1.00 0.00 C ATOM 365 O ALA A 24 5.518 2.125 -15.712 1.00 0.00 O ATOM 366 CB ALA A 24 5.087 1.987 -19.048 1.00 0.00 C ATOM 0 H ALA A 24 2.705 2.396 -18.821 1.00 0.00 H new ATOM 0 HA ALA A 24 4.529 0.653 -17.450 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.158 1.877 -18.876 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.772 1.294 -19.828 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.873 3.009 -19.362 1.00 0.00 H new ATOM 372 N THR A 25 4.336 3.835 -16.521 1.00 0.00 N ATOM 373 CA THR A 25 4.547 4.721 -15.365 1.00 0.00 C ATOM 374 C THR A 25 3.723 4.280 -14.148 1.00 0.00 C ATOM 375 O THR A 25 4.261 4.189 -13.048 1.00 0.00 O ATOM 376 CB THR A 25 4.234 6.173 -15.742 1.00 0.00 C ATOM 377 OG1 THR A 25 5.072 6.547 -16.813 1.00 0.00 O ATOM 378 CG2 THR A 25 4.456 7.175 -14.609 1.00 0.00 C ATOM 0 H THR A 25 3.795 4.270 -17.268 1.00 0.00 H new ATOM 0 HA THR A 25 5.597 4.652 -15.082 1.00 0.00 H new ATOM 0 HB THR A 25 3.175 6.203 -15.998 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.253 7.509 -16.767 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.212 8.178 -14.958 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.815 6.918 -13.765 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.499 7.144 -14.295 1.00 0.00 H new ATOM 386 N ALA A 26 2.449 3.919 -14.319 1.00 0.00 N ATOM 387 CA ALA A 26 1.622 3.409 -13.216 1.00 0.00 C ATOM 388 C ALA A 26 2.163 2.108 -12.587 1.00 0.00 C ATOM 389 O ALA A 26 2.172 1.981 -11.361 1.00 0.00 O ATOM 390 CB ALA A 26 0.193 3.200 -13.706 1.00 0.00 C ATOM 0 H ALA A 26 1.963 3.970 -15.214 1.00 0.00 H new ATOM 0 HA ALA A 26 1.650 4.161 -12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.420 2.822 -12.888 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.214 4.149 -14.056 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.191 2.480 -14.524 1.00 0.00 H new ATOM 396 N GLU A 27 2.715 1.206 -13.414 1.00 0.00 N ATOM 397 CA GLU A 27 3.438 0.024 -12.894 1.00 0.00 C ATOM 398 C GLU A 27 4.789 0.381 -12.307 1.00 0.00 C ATOM 399 O GLU A 27 5.193 -0.246 -11.331 1.00 0.00 O ATOM 400 CB GLU A 27 3.586 -1.160 -13.864 1.00 0.00 C ATOM 401 CG GLU A 27 4.718 -1.084 -14.889 1.00 0.00 C ATOM 402 CD GLU A 27 4.862 -2.414 -15.612 1.00 0.00 C ATOM 403 OE1 GLU A 27 4.206 -2.614 -16.657 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.662 -3.249 -15.132 1.00 0.00 O ATOM 0 H GLU A 27 2.678 1.266 -14.432 1.00 0.00 H new ATOM 0 HA GLU A 27 2.775 -0.327 -12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.725 -2.066 -13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.647 -1.273 -14.405 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.514 -0.291 -15.608 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.653 -0.830 -14.390 1.00 0.00 H new ATOM 411 N LYS A 28 5.478 1.402 -12.827 1.00 0.00 N ATOM 412 CA LYS A 28 6.705 1.887 -12.177 1.00 0.00 C ATOM 413 C LYS A 28 6.403 2.427 -10.761 1.00 0.00 C ATOM 414 O LYS A 28 7.070 2.036 -9.800 1.00 0.00 O ATOM 415 CB LYS A 28 7.367 2.936 -13.090 1.00 0.00 C ATOM 416 CG LYS A 28 8.647 3.569 -12.522 1.00 0.00 C ATOM 417 CD LYS A 28 9.330 4.504 -13.538 1.00 0.00 C ATOM 418 CE LYS A 28 8.447 5.689 -13.959 1.00 0.00 C ATOM 419 NZ LYS A 28 9.131 6.573 -14.927 1.00 0.00 N ATOM 0 H LYS A 28 5.217 1.901 -13.677 1.00 0.00 H new ATOM 0 HA LYS A 28 7.408 1.066 -12.038 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.603 2.468 -14.046 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.646 3.728 -13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.404 4.130 -11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.342 2.782 -12.230 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.256 4.884 -13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.603 3.930 -14.424 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.523 5.314 -14.400 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.168 6.265 -13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.501 7.359 -15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.999 6.952 -14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.375 6.031 -15.780 1.00 0.00 H new ATOM 433 N VAL A 29 5.359 3.252 -10.594 1.00 0.00 N ATOM 434 CA VAL A 29 4.916 3.756 -9.275 1.00 0.00 C ATOM 435 C VAL A 29 4.536 2.605 -8.343 1.00 0.00 C ATOM 436 O VAL A 29 5.066 2.506 -7.237 1.00 0.00 O ATOM 437 CB VAL A 29 3.735 4.742 -9.422 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.121 5.136 -8.073 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.190 6.036 -10.110 1.00 0.00 C ATOM 0 H VAL A 29 4.792 3.593 -11.370 1.00 0.00 H new ATOM 0 HA VAL A 29 5.755 4.292 -8.832 1.00 0.00 H new ATOM 0 HB VAL A 29 2.987 4.219 -10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.296 5.830 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.750 4.244 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.880 5.615 -7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.343 6.716 -10.203 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.971 6.509 -9.515 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.579 5.804 -11.101 1.00 0.00 H new ATOM 449 N PHE A 30 3.665 1.702 -8.794 1.00 0.00 N ATOM 450 CA PHE A 30 3.271 0.560 -7.968 1.00 0.00 C ATOM 451 C PHE A 30 4.461 -0.333 -7.568 1.00 0.00 C ATOM 452 O PHE A 30 4.533 -0.789 -6.424 1.00 0.00 O ATOM 453 CB PHE A 30 2.204 -0.281 -8.668 1.00 0.00 C ATOM 454 CG PHE A 30 0.869 0.402 -8.927 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.273 1.238 -7.957 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.206 0.186 -10.152 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.969 1.846 -8.212 1.00 0.00 C ATOM 458 CE2 PHE A 30 -1.031 0.801 -10.406 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.622 1.620 -9.433 1.00 0.00 C ATOM 0 H PHE A 30 3.224 1.737 -9.713 1.00 0.00 H new ATOM 0 HA PHE A 30 2.858 0.980 -7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.607 -0.618 -9.623 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.022 -1.172 -8.067 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.773 1.411 -7.016 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.651 -0.455 -10.899 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.420 2.486 -7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.528 0.643 -11.352 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.581 2.078 -9.624 1.00 0.00 H new ATOM 469 N LYS A 31 5.432 -0.517 -8.466 1.00 0.00 N ATOM 470 CA LYS A 31 6.665 -1.243 -8.148 1.00 0.00 C ATOM 471 C LYS A 31 7.572 -0.513 -7.141 1.00 0.00 C ATOM 472 O LYS A 31 8.387 -1.152 -6.471 1.00 0.00 O ATOM 473 CB LYS A 31 7.413 -1.636 -9.427 1.00 0.00 C ATOM 474 CG LYS A 31 6.686 -2.827 -10.065 1.00 0.00 C ATOM 475 CD LYS A 31 7.252 -3.197 -11.433 1.00 0.00 C ATOM 476 CE LYS A 31 6.540 -4.468 -11.912 1.00 0.00 C ATOM 477 NZ LYS A 31 6.974 -4.879 -13.259 1.00 0.00 N ATOM 0 H LYS A 31 5.388 -0.171 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 31 6.362 -2.158 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.446 -0.796 -10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.445 -1.900 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.757 -3.689 -9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.627 -2.589 -10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.098 -2.384 -12.142 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.327 -3.364 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.733 -5.277 -11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.463 -4.299 -11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.598 -5.825 -13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.617 -4.200 -13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.013 -4.903 -13.297 1.00 0.00 H new ATOM 491 N GLN A 32 7.442 0.803 -6.951 1.00 0.00 N ATOM 492 CA GLN A 32 8.151 1.560 -5.900 1.00 0.00 C ATOM 493 C GLN A 32 7.632 1.261 -4.477 1.00 0.00 C ATOM 494 O GLN A 32 8.423 1.070 -3.552 1.00 0.00 O ATOM 495 CB GLN A 32 7.976 3.054 -6.233 1.00 0.00 C ATOM 496 CG GLN A 32 9.015 3.997 -5.632 1.00 0.00 C ATOM 497 CD GLN A 32 8.751 5.397 -6.145 1.00 0.00 C ATOM 498 OE1 GLN A 32 8.075 6.200 -5.514 1.00 0.00 O ATOM 499 NE2 GLN A 32 9.222 5.705 -7.335 1.00 0.00 N ATOM 0 H GLN A 32 6.835 1.386 -7.527 1.00 0.00 H new ATOM 0 HA GLN A 32 9.200 1.263 -5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.993 3.169 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.989 3.369 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.960 3.976 -4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.020 3.677 -5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.784 5.029 -7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.025 6.620 -7.740 1.00 0.00 H new ATOM 508 N TYR A 33 6.306 1.188 -4.301 1.00 0.00 N ATOM 509 CA TYR A 33 5.641 0.871 -3.018 1.00 0.00 C ATOM 510 C TYR A 33 5.501 -0.649 -2.741 1.00 0.00 C ATOM 511 O TYR A 33 5.374 -1.062 -1.587 1.00 0.00 O ATOM 512 CB TYR A 33 4.258 1.548 -2.990 1.00 0.00 C ATOM 513 CG TYR A 33 4.278 3.065 -2.821 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.667 3.906 -3.884 1.00 0.00 C ATOM 515 CD2 TYR A 33 3.859 3.645 -1.606 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.667 5.304 -3.724 1.00 0.00 C ATOM 517 CE2 TYR A 33 3.845 5.044 -1.453 1.00 0.00 C ATOM 518 CZ TYR A 33 4.256 5.873 -2.509 1.00 0.00 C ATOM 519 OH TYR A 33 4.240 7.226 -2.358 1.00 0.00 O ATOM 0 H TYR A 33 5.645 1.351 -5.061 1.00 0.00 H new ATOM 0 HA TYR A 33 6.279 1.257 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.736 1.309 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.676 1.116 -2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.967 3.474 -4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.547 3.012 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.984 5.940 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.517 5.481 -0.521 1.00 0.00 H new ATOM 0 HH TYR A 33 3.534 7.476 -1.726 1.00 0.00 H new ATOM 529 N PHE A 34 5.566 -1.460 -3.800 1.00 0.00 N ATOM 530 CA PHE A 34 5.385 -2.924 -3.773 1.00 0.00 C ATOM 531 C PHE A 34 6.503 -3.670 -4.526 1.00 0.00 C ATOM 532 O PHE A 34 6.657 -3.536 -5.738 1.00 0.00 O ATOM 533 CB PHE A 34 3.970 -3.281 -4.257 1.00 0.00 C ATOM 534 CG PHE A 34 2.886 -2.612 -3.424 1.00 0.00 C ATOM 535 CD1 PHE A 34 2.692 -2.999 -2.083 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.138 -1.542 -3.951 1.00 0.00 C ATOM 537 CE1 PHE A 34 1.767 -2.319 -1.272 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.210 -0.862 -3.141 1.00 0.00 C ATOM 539 CZ PHE A 34 1.025 -1.249 -1.802 1.00 0.00 C ATOM 0 H PHE A 34 5.753 -1.107 -4.738 1.00 0.00 H new ATOM 0 HA PHE A 34 5.475 -3.270 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.859 -2.983 -5.299 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.838 -4.362 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.258 -3.824 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.277 -1.242 -4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.627 -2.618 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.639 -0.041 -3.549 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.314 -0.725 -1.181 1.00 0.00 H new ATOM 549 N ASN A 35 7.316 -4.435 -3.791 1.00 0.00 N ATOM 550 CA ASN A 35 8.568 -5.078 -4.224 1.00 0.00 C ATOM 551 C ASN A 35 9.097 -6.011 -3.098 1.00 0.00 C ATOM 552 O ASN A 35 8.331 -6.438 -2.233 1.00 0.00 O ATOM 553 CB ASN A 35 9.585 -3.991 -4.643 1.00 0.00 C ATOM 554 CG ASN A 35 9.824 -2.936 -3.575 1.00 0.00 C ATOM 555 OD1 ASN A 35 10.272 -3.224 -2.473 1.00 0.00 O ATOM 556 ND2 ASN A 35 9.527 -1.694 -3.876 1.00 0.00 N ATOM 0 H ASN A 35 7.107 -4.637 -2.813 1.00 0.00 H new ATOM 0 HA ASN A 35 8.396 -5.708 -5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.534 -4.468 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.229 -3.503 -5.550 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.669 -0.955 -3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.154 -1.468 -4.798 1.00 0.00 H new ATOM 563 N ASP A 36 10.403 -6.301 -3.056 1.00 0.00 N ATOM 564 CA ASP A 36 11.127 -7.044 -1.997 1.00 0.00 C ATOM 565 C ASP A 36 10.964 -6.529 -0.548 1.00 0.00 C ATOM 566 O ASP A 36 11.378 -7.201 0.399 1.00 0.00 O ATOM 567 CB ASP A 36 12.612 -7.026 -2.378 1.00 0.00 C ATOM 568 CG ASP A 36 13.519 -7.950 -1.535 1.00 0.00 C ATOM 569 OD1 ASP A 36 13.356 -9.193 -1.606 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.428 -7.433 -0.839 1.00 0.00 O ATOM 0 H ASP A 36 11.030 -6.008 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 36 10.686 -8.040 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.705 -7.310 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.981 -6.004 -2.291 1.00 0.00 H new ATOM 575 N ASN A 37 10.347 -5.360 -0.364 1.00 0.00 N ATOM 576 CA ASN A 37 9.939 -4.865 0.956 1.00 0.00 C ATOM 577 C ASN A 37 9.011 -5.861 1.696 1.00 0.00 C ATOM 578 O ASN A 37 9.114 -6.040 2.914 1.00 0.00 O ATOM 579 CB ASN A 37 9.351 -3.446 0.834 1.00 0.00 C ATOM 580 CG ASN A 37 8.073 -3.268 0.021 1.00 0.00 C ATOM 581 OD1 ASN A 37 7.509 -4.189 -0.555 1.00 0.00 O ATOM 582 ND2 ASN A 37 7.580 -2.049 -0.040 1.00 0.00 N ATOM 0 H ASN A 37 10.115 -4.726 -1.128 1.00 0.00 H new ATOM 0 HA ASN A 37 10.824 -4.790 1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.160 -3.076 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.116 -2.804 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.726 -1.870 -0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.052 -1.283 0.441 1.00 0.00 H new ATOM 589 N GLY A 38 8.149 -6.542 0.937 1.00 0.00 N ATOM 590 CA GLY A 38 7.214 -7.546 1.473 1.00 0.00 C ATOM 591 C GLY A 38 6.408 -8.359 0.456 1.00 0.00 C ATOM 592 O GLY A 38 5.723 -9.307 0.843 1.00 0.00 O ATOM 0 H GLY A 38 8.076 -6.415 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.782 -8.243 2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.511 -7.036 2.132 1.00 0.00 H new ATOM 596 N VAL A 39 6.508 -8.025 -0.832 1.00 0.00 N ATOM 597 CA VAL A 39 5.755 -8.647 -1.940 1.00 0.00 C ATOM 598 C VAL A 39 6.592 -8.895 -3.199 1.00 0.00 C ATOM 599 O VAL A 39 6.324 -8.404 -4.299 1.00 0.00 O ATOM 600 CB VAL A 39 4.428 -7.938 -2.268 1.00 0.00 C ATOM 601 CG1 VAL A 39 3.341 -8.384 -1.296 1.00 0.00 C ATOM 602 CG2 VAL A 39 4.536 -6.414 -2.277 1.00 0.00 C ATOM 0 H VAL A 39 7.137 -7.288 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 39 5.489 -9.630 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 39 4.164 -8.232 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.407 -7.877 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.200 -9.462 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.638 -8.133 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.564 -5.982 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.857 -6.066 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.264 -6.105 -3.027 1.00 0.00 H new ATOM 612 N ASP A 40 7.623 -9.719 -3.018 1.00 0.00 N ATOM 613 CA ASP A 40 8.467 -10.314 -4.082 1.00 0.00 C ATOM 614 C ASP A 40 7.691 -11.473 -4.760 1.00 0.00 C ATOM 615 O ASP A 40 8.172 -12.598 -4.910 1.00 0.00 O ATOM 616 CB ASP A 40 9.811 -10.777 -3.480 1.00 0.00 C ATOM 617 CG ASP A 40 10.824 -11.310 -4.521 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.976 -10.691 -5.602 1.00 0.00 O ATOM 619 OD2 ASP A 40 11.494 -12.336 -4.242 1.00 0.00 O ATOM 0 H ASP A 40 7.916 -10.011 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 40 8.695 -9.574 -4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.263 -9.942 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.617 -11.559 -2.746 1.00 0.00 H new ATOM 624 N GLY A 41 6.428 -11.195 -5.081 1.00 0.00 N ATOM 625 CA GLY A 41 5.396 -12.130 -5.530 1.00 0.00 C ATOM 626 C GLY A 41 5.004 -12.032 -7.006 1.00 0.00 C ATOM 627 O GLY A 41 5.736 -11.490 -7.840 1.00 0.00 O ATOM 0 H GLY A 41 6.073 -10.240 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.741 -13.145 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.503 -11.973 -4.925 1.00 0.00 H new ATOM 631 N GLU A 42 3.834 -12.593 -7.322 1.00 0.00 N ATOM 632 CA GLU A 42 3.224 -12.589 -8.666 1.00 0.00 C ATOM 633 C GLU A 42 2.691 -11.206 -9.068 1.00 0.00 C ATOM 634 O GLU A 42 2.262 -10.422 -8.220 1.00 0.00 O ATOM 635 CB GLU A 42 2.108 -13.648 -8.733 1.00 0.00 C ATOM 636 CG GLU A 42 1.551 -13.946 -10.129 1.00 0.00 C ATOM 637 CD GLU A 42 2.641 -14.431 -11.075 1.00 0.00 C ATOM 638 OE1 GLU A 42 3.283 -13.571 -11.718 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.844 -15.662 -11.176 1.00 0.00 O ATOM 0 H GLU A 42 3.262 -13.080 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 42 4.005 -12.838 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.489 -14.577 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.285 -13.322 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.769 -14.702 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.088 -13.047 -10.536 1.00 0.00 H new ATOM 646 N TRP A 43 2.742 -10.949 -10.374 1.00 0.00 N ATOM 647 CA TRP A 43 2.102 -9.793 -11.027 1.00 0.00 C ATOM 648 C TRP A 43 1.083 -10.192 -12.112 1.00 0.00 C ATOM 649 O TRP A 43 1.340 -11.081 -12.929 1.00 0.00 O ATOM 650 CB TRP A 43 3.149 -8.774 -11.509 1.00 0.00 C ATOM 651 CG TRP A 43 3.863 -8.025 -10.414 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.793 -8.559 -9.589 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.710 -6.630 -9.977 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.199 -7.622 -8.662 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.561 -6.417 -8.849 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.939 -5.521 -10.405 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.632 -5.190 -8.174 1.00 0.00 C ATOM 658 CZ3 TRP A 43 3.014 -4.277 -9.741 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.852 -4.112 -8.623 1.00 0.00 C ATOM 0 H TRP A 43 3.241 -11.550 -11.030 1.00 0.00 H new ATOM 0 HA TRP A 43 1.503 -9.290 -10.268 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.890 -9.296 -12.114 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.657 -8.052 -12.161 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.164 -9.572 -9.648 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.886 -7.800 -7.929 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.282 -5.629 -11.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.280 -5.075 -7.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.423 -3.445 -10.094 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.895 -3.161 -8.113 1.00 0.00 H new ATOM 670 N THR A 44 -0.056 -9.499 -12.147 1.00 0.00 N ATOM 671 CA THR A 44 -1.101 -9.607 -13.188 1.00 0.00 C ATOM 672 C THR A 44 -1.633 -8.209 -13.545 1.00 0.00 C ATOM 673 O THR A 44 -1.644 -7.322 -12.688 1.00 0.00 O ATOM 674 CB THR A 44 -2.276 -10.491 -12.708 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.830 -11.719 -12.168 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.286 -10.839 -13.805 1.00 0.00 C ATOM 0 H THR A 44 -0.293 -8.818 -11.426 1.00 0.00 H new ATOM 0 HA THR A 44 -0.652 -10.069 -14.067 1.00 0.00 H new ATOM 0 HB THR A 44 -2.763 -9.876 -11.952 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.602 -12.247 -11.875 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.078 -11.461 -13.387 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.718 -9.922 -14.206 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.782 -11.382 -14.604 1.00 0.00 H new ATOM 684 N TYR A 45 -2.108 -7.994 -14.777 1.00 0.00 N ATOM 685 CA TYR A 45 -2.738 -6.741 -15.230 1.00 0.00 C ATOM 686 C TYR A 45 -3.901 -6.998 -16.209 1.00 0.00 C ATOM 687 O TYR A 45 -3.783 -7.812 -17.132 1.00 0.00 O ATOM 688 CB TYR A 45 -1.673 -5.861 -15.904 1.00 0.00 C ATOM 689 CG TYR A 45 -2.194 -4.577 -16.535 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.735 -3.562 -15.726 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.131 -4.387 -17.930 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.209 -2.368 -16.299 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.599 -3.187 -18.502 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.142 -2.180 -17.688 1.00 0.00 C ATOM 695 OH TYR A 45 -3.612 -1.027 -18.237 1.00 0.00 O ATOM 0 H TYR A 45 -2.065 -8.703 -15.509 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.154 -6.236 -14.359 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.918 -5.601 -15.162 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.174 -6.449 -16.675 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.787 -3.700 -14.656 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.723 -5.162 -18.562 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.625 -1.595 -15.669 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.540 -3.041 -19.571 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.946 -1.207 -19.140 1.00 0.00 H new ATOM 705 N ASP A 46 -5.010 -6.278 -16.018 1.00 0.00 N ATOM 706 CA ASP A 46 -6.199 -6.237 -16.883 1.00 0.00 C ATOM 707 C ASP A 46 -6.409 -4.822 -17.431 1.00 0.00 C ATOM 708 O ASP A 46 -6.865 -3.928 -16.710 1.00 0.00 O ATOM 709 CB ASP A 46 -7.443 -6.708 -16.105 1.00 0.00 C ATOM 710 CG ASP A 46 -7.414 -8.207 -15.739 1.00 0.00 C ATOM 711 OD1 ASP A 46 -7.749 -9.046 -16.611 1.00 0.00 O ATOM 712 OD2 ASP A 46 -7.085 -8.546 -14.576 1.00 0.00 O ATOM 0 H ASP A 46 -5.111 -5.669 -15.206 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.043 -6.912 -17.724 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.533 -6.121 -15.191 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.332 -6.506 -16.702 1.00 0.00 H new ATOM 717 N ASP A 47 -6.071 -4.594 -18.704 1.00 0.00 N ATOM 718 CA ASP A 47 -6.161 -3.281 -19.362 1.00 0.00 C ATOM 719 C ASP A 47 -7.598 -2.779 -19.551 1.00 0.00 C ATOM 720 O ASP A 47 -7.862 -1.582 -19.468 1.00 0.00 O ATOM 721 CB ASP A 47 -5.436 -3.391 -20.717 1.00 0.00 C ATOM 722 CG ASP A 47 -5.204 -2.029 -21.386 1.00 0.00 C ATOM 723 OD1 ASP A 47 -4.469 -1.191 -20.809 1.00 0.00 O ATOM 724 OD2 ASP A 47 -5.795 -1.776 -22.462 1.00 0.00 O ATOM 0 H ASP A 47 -5.721 -5.328 -19.319 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.690 -2.541 -18.716 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.476 -3.885 -20.570 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.021 -4.023 -21.385 1.00 0.00 H new ATOM 729 N ALA A 48 -8.543 -3.698 -19.736 1.00 0.00 N ATOM 730 CA ALA A 48 -9.978 -3.402 -19.886 1.00 0.00 C ATOM 731 C ALA A 48 -10.601 -2.649 -18.682 1.00 0.00 C ATOM 732 O ALA A 48 -11.669 -2.043 -18.796 1.00 0.00 O ATOM 733 CB ALA A 48 -10.714 -4.723 -20.136 1.00 0.00 C ATOM 0 H ALA A 48 -8.334 -4.695 -19.788 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.087 -2.721 -20.730 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.781 -4.529 -20.251 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.330 -5.187 -21.044 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.556 -5.393 -19.291 1.00 0.00 H new ATOM 739 N THR A 49 -9.929 -2.707 -17.531 1.00 0.00 N ATOM 740 CA THR A 49 -10.280 -2.034 -16.269 1.00 0.00 C ATOM 741 C THR A 49 -9.109 -1.225 -15.653 1.00 0.00 C ATOM 742 O THR A 49 -9.151 -0.845 -14.482 1.00 0.00 O ATOM 743 CB THR A 49 -10.941 -3.054 -15.316 1.00 0.00 C ATOM 744 OG1 THR A 49 -11.542 -2.459 -14.188 1.00 0.00 O ATOM 745 CG2 THR A 49 -9.993 -4.164 -14.862 1.00 0.00 C ATOM 0 H THR A 49 -9.074 -3.256 -17.445 1.00 0.00 H new ATOM 0 HA THR A 49 -11.017 -1.258 -16.474 1.00 0.00 H new ATOM 0 HB THR A 49 -11.727 -3.504 -15.923 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.983 -1.719 -13.872 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.522 -4.845 -14.195 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.634 -4.714 -15.732 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.146 -3.726 -14.335 1.00 0.00 H new ATOM 753 N LYS A 50 -8.019 -0.991 -16.406 1.00 0.00 N ATOM 754 CA LYS A 50 -6.779 -0.319 -15.958 1.00 0.00 C ATOM 755 C LYS A 50 -6.300 -0.728 -14.543 1.00 0.00 C ATOM 756 O LYS A 50 -5.934 0.115 -13.718 1.00 0.00 O ATOM 757 CB LYS A 50 -6.910 1.211 -16.118 1.00 0.00 C ATOM 758 CG LYS A 50 -7.325 1.702 -17.515 1.00 0.00 C ATOM 759 CD LYS A 50 -6.413 1.197 -18.640 1.00 0.00 C ATOM 760 CE LYS A 50 -6.912 1.715 -19.993 1.00 0.00 C ATOM 761 NZ LYS A 50 -6.556 0.803 -21.095 1.00 0.00 N ATOM 0 H LYS A 50 -7.973 -1.276 -17.384 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.984 -0.672 -16.615 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.640 1.572 -15.394 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.954 1.668 -15.862 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.347 1.380 -17.715 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.327 2.792 -17.522 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.390 1.532 -18.468 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.395 0.107 -18.643 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.995 1.837 -19.958 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.486 2.700 -20.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.563 1.326 -21.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.607 0.412 -20.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.247 0.027 -21.140 1.00 0.00 H new ATOM 775 N THR A 51 -6.337 -2.030 -14.251 1.00 0.00 N ATOM 776 CA THR A 51 -6.077 -2.549 -12.888 1.00 0.00 C ATOM 777 C THR A 51 -5.014 -3.650 -12.866 1.00 0.00 C ATOM 778 O THR A 51 -4.996 -4.552 -13.704 1.00 0.00 O ATOM 779 CB THR A 51 -7.371 -3.028 -12.194 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.323 -1.986 -12.105 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.157 -3.511 -10.756 1.00 0.00 C ATOM 0 H THR A 51 -6.545 -2.755 -14.938 1.00 0.00 H new ATOM 0 HA THR A 51 -5.681 -1.706 -12.322 1.00 0.00 H new ATOM 0 HB THR A 51 -7.714 -3.854 -12.817 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.525 -1.650 -13.003 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.110 -3.831 -10.334 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.459 -4.348 -10.753 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.750 -2.697 -10.156 1.00 0.00 H new ATOM 789 N PHE A 52 -4.136 -3.574 -11.868 1.00 0.00 N ATOM 790 CA PHE A 52 -3.019 -4.461 -11.556 1.00 0.00 C ATOM 791 C PHE A 52 -3.352 -5.283 -10.300 1.00 0.00 C ATOM 792 O PHE A 52 -4.045 -4.805 -9.400 1.00 0.00 O ATOM 793 CB PHE A 52 -1.746 -3.639 -11.301 1.00 0.00 C ATOM 794 CG PHE A 52 -1.163 -2.956 -12.521 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.619 -1.681 -12.909 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.151 -3.593 -13.263 1.00 0.00 C ATOM 797 CE1 PHE A 52 -1.058 -1.040 -14.028 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.395 -2.961 -14.394 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.057 -1.686 -14.774 1.00 0.00 C ATOM 0 H PHE A 52 -4.196 -2.814 -11.191 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.851 -5.129 -12.401 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.967 -2.880 -10.551 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.988 -4.296 -10.875 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.401 -1.194 -12.346 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.206 -4.567 -12.964 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.395 -0.054 -14.313 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.162 -3.456 -14.971 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.366 -1.201 -15.641 1.00 0.00 H new ATOM 809 N THR A 53 -2.885 -6.525 -10.239 1.00 0.00 N ATOM 810 CA THR A 53 -2.999 -7.385 -9.048 1.00 0.00 C ATOM 811 C THR A 53 -1.622 -7.914 -8.623 1.00 0.00 C ATOM 812 O THR A 53 -0.777 -8.229 -9.467 1.00 0.00 O ATOM 813 CB THR A 53 -3.976 -8.550 -9.306 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.221 -8.070 -9.769 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.268 -9.392 -8.063 1.00 0.00 C ATOM 0 H THR A 53 -2.409 -6.976 -11.020 1.00 0.00 H new ATOM 0 HA THR A 53 -3.397 -6.782 -8.232 1.00 0.00 H new ATOM 0 HB THR A 53 -3.476 -9.171 -10.049 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.824 -8.826 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.962 -10.192 -8.320 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.339 -9.823 -7.689 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.711 -8.761 -7.292 1.00 0.00 H new ATOM 823 N VAL A 54 -1.412 -8.016 -7.308 1.00 0.00 N ATOM 824 CA VAL A 54 -0.196 -8.537 -6.650 1.00 0.00 C ATOM 825 C VAL A 54 -0.571 -9.561 -5.576 1.00 0.00 C ATOM 826 O VAL A 54 -1.473 -9.323 -4.775 1.00 0.00 O ATOM 827 CB VAL A 54 0.665 -7.401 -6.053 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.837 -7.911 -5.201 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.283 -6.567 -7.179 1.00 0.00 C ATOM 0 H VAL A 54 -2.118 -7.724 -6.632 1.00 0.00 H new ATOM 0 HA VAL A 54 0.408 -9.032 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.011 -6.821 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.400 -7.063 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.452 -8.503 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.491 -8.530 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.888 -5.768 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.911 -7.204 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.490 -6.134 -7.788 1.00 0.00 H new ATOM 839 N THR A 55 0.107 -10.706 -5.594 1.00 0.00 N ATOM 840 CA THR A 55 -0.101 -11.823 -4.647 1.00 0.00 C ATOM 841 C THR A 55 1.235 -12.379 -4.120 1.00 0.00 C ATOM 842 O THR A 55 2.173 -12.524 -4.910 1.00 0.00 O ATOM 843 CB THR A 55 -0.981 -12.912 -5.299 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.217 -12.373 -5.718 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.316 -14.073 -4.363 1.00 0.00 C ATOM 0 H THR A 55 0.837 -10.898 -6.281 1.00 0.00 H new ATOM 0 HA THR A 55 -0.633 -11.446 -3.773 1.00 0.00 H new ATOM 0 HB THR A 55 -0.387 -13.283 -6.134 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.759 -13.078 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.936 -14.798 -4.890 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.394 -14.554 -4.036 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.857 -13.696 -3.495 1.00 0.00 H new ATOM 853 N GLU A 56 1.339 -12.710 -2.819 1.00 0.00 N ATOM 854 CA GLU A 56 2.515 -13.401 -2.225 1.00 0.00 C ATOM 855 C GLU A 56 2.645 -14.840 -2.737 1.00 0.00 C ATOM 856 O GLU A 56 3.737 -15.188 -3.233 1.00 0.00 O ATOM 857 CB GLU A 56 2.490 -13.426 -0.684 1.00 0.00 C ATOM 858 CG GLU A 56 2.898 -12.089 -0.055 1.00 0.00 C ATOM 859 CD GLU A 56 3.113 -12.213 1.451 1.00 0.00 C ATOM 860 OE1 GLU A 56 3.976 -13.013 1.873 1.00 0.00 O ATOM 861 OE2 GLU A 56 2.408 -11.526 2.224 1.00 0.00 O ATOM 862 OXT GLU A 56 1.667 -15.609 -2.622 1.00 0.00 O ATOM 0 H GLU A 56 0.606 -12.507 -2.139 1.00 0.00 H new ATOM 0 HA GLU A 56 3.377 -12.815 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.487 -13.688 -0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.161 -14.208 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.814 -11.731 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.127 -11.344 -0.252 1.00 0.00 H new ATOM 870 N MET B 1 -4.333 -9.446 16.763 1.00 0.00 N ATOM 871 CA MET B 1 -5.298 -8.334 16.581 1.00 0.00 C ATOM 872 C MET B 1 -5.117 -7.710 15.201 1.00 0.00 C ATOM 873 O MET B 1 -3.987 -7.478 14.772 1.00 0.00 O ATOM 874 CB MET B 1 -5.158 -7.300 17.710 1.00 0.00 C ATOM 875 CG MET B 1 -6.190 -6.170 17.616 1.00 0.00 C ATOM 876 SD MET B 1 -6.203 -5.062 19.050 1.00 0.00 S ATOM 877 CE MET B 1 -7.056 -6.089 20.277 1.00 0.00 C ATOM 0 H1 MET B 1 -4.450 -9.856 17.712 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.508 -10.178 16.046 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.363 -9.085 16.660 1.00 0.00 H new ATOM 0 HA MET B 1 -6.313 -8.726 16.637 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.264 -7.803 18.671 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.156 -6.873 17.682 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.991 -5.584 16.719 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.182 -6.607 17.498 1.00 0.00 H new ATOM 0 HE1 MET B 1 -7.219 -5.510 21.186 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.016 -6.413 19.876 1.00 0.00 H new ATOM 0 HE3 MET B 1 -6.446 -6.962 20.508 1.00 0.00 H new ATOM 889 N GLN B 2 -6.218 -7.439 14.494 1.00 0.00 N ATOM 890 CA GLN B 2 -6.199 -6.749 13.192 1.00 0.00 C ATOM 891 C GLN B 2 -5.904 -5.242 13.356 1.00 0.00 C ATOM 892 O GLN B 2 -6.522 -4.571 14.187 1.00 0.00 O ATOM 893 CB GLN B 2 -7.554 -6.935 12.479 1.00 0.00 C ATOM 894 CG GLN B 2 -7.479 -6.680 10.964 1.00 0.00 C ATOM 895 CD GLN B 2 -7.196 -7.951 10.191 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.101 -8.689 9.821 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.945 -8.242 9.922 1.00 0.00 N ATOM 0 H GLN B 2 -7.155 -7.692 14.807 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.402 -7.189 12.592 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.913 -7.949 12.653 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.286 -6.258 12.920 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.420 -6.249 10.621 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.698 -5.948 10.757 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.198 -7.621 10.234 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.719 -9.089 9.400 1.00 0.00 H new ATOM 906 N TYR B 3 -4.995 -4.710 12.539 1.00 0.00 N ATOM 907 CA TYR B 3 -4.695 -3.275 12.398 1.00 0.00 C ATOM 908 C TYR B 3 -4.824 -2.806 10.938 1.00 0.00 C ATOM 909 O TYR B 3 -4.673 -3.606 10.010 1.00 0.00 O ATOM 910 CB TYR B 3 -3.287 -2.992 12.936 1.00 0.00 C ATOM 911 CG TYR B 3 -3.137 -3.181 14.435 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.797 -4.441 14.966 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.332 -2.091 15.304 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.679 -4.614 16.357 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.221 -2.269 16.695 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.912 -3.533 17.221 1.00 0.00 C ATOM 917 OH TYR B 3 -2.835 -3.712 18.568 1.00 0.00 O ATOM 0 H TYR B 3 -4.419 -5.289 11.928 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.426 -2.713 12.980 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.579 -3.646 12.427 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.014 -1.968 12.682 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.626 -5.276 14.303 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.567 -1.117 14.902 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.409 -5.579 16.760 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.374 -1.431 17.359 1.00 0.00 H new ATOM 0 HH TYR B 3 -3.680 -4.082 18.898 1.00 0.00 H new ATOM 927 N LYS B 4 -5.046 -1.507 10.722 1.00 0.00 N ATOM 928 CA LYS B 4 -5.310 -0.906 9.402 1.00 0.00 C ATOM 929 C LYS B 4 -4.454 0.356 9.150 1.00 0.00 C ATOM 930 O LYS B 4 -4.122 1.083 10.087 1.00 0.00 O ATOM 931 CB LYS B 4 -6.819 -0.594 9.322 1.00 0.00 C ATOM 932 CG LYS B 4 -7.282 -0.119 7.934 1.00 0.00 C ATOM 933 CD LYS B 4 -8.784 0.189 7.889 1.00 0.00 C ATOM 934 CE LYS B 4 -9.142 0.635 6.467 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.555 1.043 6.339 1.00 0.00 N ATOM 0 H LYS B 4 -5.048 -0.822 11.477 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.028 -1.609 8.619 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.380 -1.487 9.596 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.061 0.173 10.058 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.723 0.774 7.654 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.049 -0.886 7.195 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.361 -0.693 8.167 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.033 0.971 8.606 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.500 1.467 6.179 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.939 -0.180 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -11.098 0.278 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.947 1.237 7.282 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.617 1.901 5.755 1.00 0.00 H new ATOM 949 N LEU B 5 -4.151 0.643 7.882 1.00 0.00 N ATOM 950 CA LEU B 5 -3.370 1.789 7.397 1.00 0.00 C ATOM 951 C LEU B 5 -4.143 2.513 6.277 1.00 0.00 C ATOM 952 O LEU B 5 -4.627 1.869 5.346 1.00 0.00 O ATOM 953 CB LEU B 5 -2.022 1.240 6.888 1.00 0.00 C ATOM 954 CG LEU B 5 -0.836 2.195 6.652 1.00 0.00 C ATOM 955 CD1 LEU B 5 -1.002 3.125 5.452 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.497 3.029 7.883 1.00 0.00 C ATOM 0 H LEU B 5 -4.463 0.045 7.117 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.197 2.516 8.190 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.691 0.484 7.600 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.217 0.727 5.946 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.009 1.520 6.432 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.122 3.762 5.361 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.117 2.532 4.545 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.886 3.747 5.593 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.346 3.683 7.659 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.360 3.633 8.163 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.234 2.368 8.709 1.00 0.00 H new ATOM 968 N ILE B 6 -4.238 3.839 6.346 1.00 0.00 N ATOM 969 CA ILE B 6 -4.855 4.711 5.329 1.00 0.00 C ATOM 970 C ILE B 6 -3.767 5.607 4.724 1.00 0.00 C ATOM 971 O ILE B 6 -3.071 6.304 5.468 1.00 0.00 O ATOM 972 CB ILE B 6 -5.972 5.575 5.967 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.996 4.695 6.720 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.643 6.459 4.892 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.136 5.469 7.393 1.00 0.00 C ATOM 0 H ILE B 6 -3.875 4.364 7.141 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.306 4.101 4.546 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.523 6.237 6.708 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.426 3.980 6.018 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.469 4.118 7.480 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.426 7.061 5.353 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.897 7.115 4.443 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.080 5.825 4.120 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.804 4.769 7.896 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.722 6.164 8.123 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.694 6.024 6.639 1.00 0.00 H new ATOM 987 N LEU B 7 -3.596 5.627 3.402 1.00 0.00 N ATOM 988 CA LEU B 7 -2.556 6.357 2.678 1.00 0.00 C ATOM 989 C LEU B 7 -3.180 7.548 1.922 1.00 0.00 C ATOM 990 O LEU B 7 -4.051 7.358 1.067 1.00 0.00 O ATOM 991 CB LEU B 7 -1.880 5.365 1.708 1.00 0.00 C ATOM 992 CG LEU B 7 -0.764 5.988 0.848 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.442 6.418 1.680 1.00 0.00 C ATOM 994 CD2 LEU B 7 -0.294 4.985 -0.199 1.00 0.00 C ATOM 0 H LEU B 7 -4.211 5.108 2.775 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.812 6.763 3.363 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.462 4.539 2.283 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.639 4.943 1.049 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.188 6.874 0.376 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.199 6.850 1.026 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.131 7.160 2.415 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.858 5.551 2.193 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.495 5.433 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.090 4.094 0.297 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.131 4.710 -0.841 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.741 8.763 2.246 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.131 9.994 1.560 1.00 0.00 C ATOM 1008 C ASN B 8 -1.874 10.665 0.973 1.00 0.00 C ATOM 1009 O ASN B 8 -0.863 10.835 1.659 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.866 10.946 2.515 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.885 10.285 3.422 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -6.079 10.246 3.149 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.420 9.792 4.547 1.00 0.00 N ATOM 0 H ASN B 8 -2.087 8.923 3.013 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.819 9.751 0.751 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.128 11.456 3.134 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.370 11.711 1.924 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.058 9.364 5.218 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.421 9.837 4.750 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.934 11.046 -0.299 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.768 11.536 -1.042 1.00 0.00 C ATOM 1022 C GLY B 9 -1.031 11.992 -2.480 1.00 0.00 C ATOM 1023 O GLY B 9 -2.171 12.035 -2.947 1.00 0.00 O ATOM 0 H GLY B 9 -2.793 11.025 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.335 12.371 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.018 10.746 -1.064 1.00 0.00 H new ATOM 1027 N LYS B 10 0.055 12.336 -3.170 1.00 0.00 N ATOM 1028 CA LYS B 10 0.088 12.901 -4.527 1.00 0.00 C ATOM 1029 C LYS B 10 0.677 11.911 -5.557 1.00 0.00 C ATOM 1030 O LYS B 10 0.290 11.930 -6.727 1.00 0.00 O ATOM 1031 CB LYS B 10 0.916 14.200 -4.506 1.00 0.00 C ATOM 1032 CG LYS B 10 0.315 15.297 -3.604 1.00 0.00 C ATOM 1033 CD LYS B 10 1.222 16.535 -3.478 1.00 0.00 C ATOM 1034 CE LYS B 10 1.511 17.272 -4.794 1.00 0.00 C ATOM 1035 NZ LYS B 10 0.309 17.925 -5.356 1.00 0.00 N ATOM 0 H LYS B 10 0.990 12.223 -2.779 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.937 13.109 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.926 13.973 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS B 10 1.002 14.583 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -0.652 15.601 -4.006 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.133 14.884 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS B 10 0.759 17.235 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS B 10 2.170 16.227 -3.037 1.00 0.00 H new ATOM 0 HE2 LYS B 10 2.282 18.023 -4.624 1.00 0.00 H new ATOM 0 HE3 LYS B 10 1.910 16.565 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 0.559 18.408 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -0.419 17.207 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.059 18.620 -4.675 1.00 0.00 H new ATOM 1049 N THR B 11 1.568 11.011 -5.123 1.00 0.00 N ATOM 1050 CA THR B 11 2.094 9.894 -5.945 1.00 0.00 C ATOM 1051 C THR B 11 1.206 8.636 -5.854 1.00 0.00 C ATOM 1052 O THR B 11 1.039 7.904 -6.833 1.00 0.00 O ATOM 1053 CB THR B 11 3.521 9.528 -5.482 1.00 0.00 C ATOM 1054 OG1 THR B 11 4.382 10.645 -5.565 1.00 0.00 O ATOM 1055 CG2 THR B 11 4.175 8.408 -6.292 1.00 0.00 C ATOM 0 H THR B 11 1.954 11.031 -4.179 1.00 0.00 H new ATOM 0 HA THR B 11 2.101 10.234 -6.981 1.00 0.00 H new ATOM 0 HB THR B 11 3.390 9.187 -4.455 1.00 0.00 H new ATOM 0 HG1 THR B 11 5.279 10.389 -5.265 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.174 8.213 -5.902 1.00 0.00 H new ATOM 0 HG22 THR B 11 3.572 7.503 -6.215 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.246 8.709 -7.337 1.00 0.00 H new ATOM 1063 N LEU B 12 0.618 8.391 -4.680 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.239 7.233 -4.400 1.00 0.00 C ATOM 1065 C LEU B 12 -1.294 7.521 -3.310 1.00 0.00 C ATOM 1066 O LEU B 12 -1.034 8.274 -2.369 1.00 0.00 O ATOM 1067 CB LEU B 12 0.680 6.052 -4.006 1.00 0.00 C ATOM 1068 CG LEU B 12 0.008 4.666 -4.037 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.324 4.235 -5.461 1.00 0.00 C ATOM 1070 CD2 LEU B 12 0.932 3.595 -3.469 1.00 0.00 C ATOM 0 H LEU B 12 0.727 9.009 -3.876 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.813 6.987 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.538 6.038 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.065 6.230 -3.002 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.900 4.760 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.797 3.253 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.005 4.957 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.592 4.186 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.432 2.627 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.846 3.552 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.180 3.839 -2.436 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.461 6.881 -3.414 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.505 6.856 -2.374 1.00 0.00 C ATOM 1084 C LYS B 13 -4.043 5.425 -2.191 1.00 0.00 C ATOM 1085 O LYS B 13 -3.978 4.621 -3.122 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.657 7.806 -2.745 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.234 9.285 -2.755 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.391 10.242 -3.087 1.00 0.00 C ATOM 1089 CE LYS B 13 -6.480 10.245 -2.006 1.00 0.00 C ATOM 1090 NZ LYS B 13 -7.567 11.195 -2.326 1.00 0.00 N ATOM 0 H LYS B 13 -2.718 6.349 -4.246 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.063 7.190 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.041 7.537 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.474 7.672 -2.036 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.824 9.546 -1.779 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.436 9.423 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.000 11.252 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -5.832 9.956 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.893 9.241 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.038 10.508 -1.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -8.284 11.169 -1.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -7.177 12.156 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -8.006 10.929 -3.231 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.577 5.076 -1.017 1.00 0.00 N ATOM 1105 CA GLY B 14 -5.085 3.717 -0.762 1.00 0.00 C ATOM 1106 C GLY B 14 -5.361 3.373 0.704 1.00 0.00 C ATOM 1107 O GLY B 14 -5.313 4.235 1.584 1.00 0.00 O ATOM 0 H GLY B 14 -4.671 5.713 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -6.007 3.582 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.363 3.000 -1.154 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.619 2.087 0.959 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.787 1.481 2.299 1.00 0.00 C ATOM 1113 C GLU B 15 -5.240 0.054 2.348 1.00 0.00 C ATOM 1114 O GLU B 15 -5.408 -0.712 1.397 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.263 1.397 2.727 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.967 2.746 2.864 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.328 2.578 3.532 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.099 1.675 3.139 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -9.627 3.342 4.475 1.00 0.00 O ATOM 0 H GLU B 15 -5.723 1.403 0.209 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.235 2.136 2.973 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.804 0.793 1.999 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.321 0.874 3.682 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.350 3.426 3.451 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -8.092 3.198 1.880 1.00 0.00 H new ATOM 1126 N THR B 16 -4.630 -0.314 3.471 1.00 0.00 N ATOM 1127 CA THR B 16 -4.082 -1.662 3.722 1.00 0.00 C ATOM 1128 C THR B 16 -4.383 -2.176 5.140 1.00 0.00 C ATOM 1129 O THR B 16 -4.808 -1.424 6.021 1.00 0.00 O ATOM 1130 CB THR B 16 -2.564 -1.757 3.440 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.796 -1.192 4.471 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.110 -1.068 2.155 1.00 0.00 C ATOM 0 H THR B 16 -4.495 0.324 4.255 1.00 0.00 H new ATOM 0 HA THR B 16 -4.599 -2.307 3.012 1.00 0.00 H new ATOM 0 HB THR B 16 -2.403 -2.831 3.352 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.844 -1.275 4.253 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.033 -1.186 2.040 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.618 -1.518 1.302 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.355 -0.007 2.205 1.00 0.00 H new ATOM 1140 N THR B 17 -4.227 -3.480 5.367 1.00 0.00 N ATOM 1141 CA THR B 17 -4.591 -4.177 6.615 1.00 0.00 C ATOM 1142 C THR B 17 -3.626 -5.337 6.912 1.00 0.00 C ATOM 1143 O THR B 17 -3.171 -6.032 5.996 1.00 0.00 O ATOM 1144 CB THR B 17 -6.043 -4.717 6.552 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.912 -3.870 5.822 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.683 -4.877 7.927 1.00 0.00 C ATOM 0 H THR B 17 -3.831 -4.108 4.667 1.00 0.00 H new ATOM 0 HA THR B 17 -4.519 -3.446 7.420 1.00 0.00 H new ATOM 0 HB THR B 17 -5.932 -5.684 6.062 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.813 -4.256 5.811 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.698 -5.258 7.814 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.097 -5.577 8.522 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.713 -3.910 8.429 1.00 0.00 H new ATOM 1154 N THR B 18 -3.315 -5.552 8.192 1.00 0.00 N ATOM 1155 CA THR B 18 -2.387 -6.581 8.710 1.00 0.00 C ATOM 1156 C THR B 18 -2.854 -7.112 10.077 1.00 0.00 C ATOM 1157 O THR B 18 -3.739 -6.522 10.704 1.00 0.00 O ATOM 1158 CB THR B 18 -0.942 -6.037 8.817 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.016 -7.094 8.938 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.714 -5.088 9.999 1.00 0.00 C ATOM 0 H THR B 18 -3.720 -4.989 8.940 1.00 0.00 H new ATOM 0 HA THR B 18 -2.390 -7.405 7.997 1.00 0.00 H new ATOM 0 HB THR B 18 -0.792 -5.474 7.896 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.341 -7.319 8.054 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.323 -4.753 10.002 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.374 -4.226 9.906 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.929 -5.610 10.931 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.296 -8.229 10.556 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.500 -8.744 11.929 1.00 0.00 C ATOM 1170 C GLU B 19 -1.169 -8.925 12.653 1.00 0.00 C ATOM 1171 O GLU B 19 -0.282 -9.650 12.198 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.331 -10.038 11.952 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.351 -10.683 13.343 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.625 -11.467 13.600 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.924 -12.411 12.836 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.297 -11.144 14.606 1.00 0.00 O ATOM 0 H GLU B 19 -1.678 -8.816 9.996 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.077 -7.992 12.467 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.352 -9.819 11.639 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.921 -10.745 11.230 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.493 -11.347 13.445 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -3.246 -9.907 14.102 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.065 -8.249 13.792 1.00 0.00 N ATOM 1184 CA ALA B 20 0.129 -8.109 14.603 1.00 0.00 C ATOM 1185 C ALA B 20 -0.161 -8.395 16.084 1.00 0.00 C ATOM 1186 O ALA B 20 -1.314 -8.428 16.532 1.00 0.00 O ATOM 1187 CB ALA B 20 0.638 -6.679 14.411 1.00 0.00 C ATOM 0 H ALA B 20 -1.863 -7.756 14.194 1.00 0.00 H new ATOM 0 HA ALA B 20 0.883 -8.832 14.293 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.539 -6.531 15.006 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.867 -6.513 13.358 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.129 -5.974 14.731 1.00 0.00 H new ATOM 1193 N VAL B 21 0.910 -8.589 16.852 1.00 0.00 N ATOM 1194 CA VAL B 21 0.823 -8.787 18.311 1.00 0.00 C ATOM 1195 C VAL B 21 0.351 -7.512 19.020 1.00 0.00 C ATOM 1196 O VAL B 21 -0.504 -7.591 19.906 1.00 0.00 O ATOM 1197 CB VAL B 21 2.146 -9.320 18.890 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.332 -8.443 18.486 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.118 -9.483 20.414 1.00 0.00 C ATOM 0 H VAL B 21 1.863 -8.615 16.489 1.00 0.00 H new ATOM 0 HA VAL B 21 0.069 -9.552 18.497 1.00 0.00 H new ATOM 0 HB VAL B 21 2.271 -10.313 18.458 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.248 -8.851 18.913 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.416 -8.423 17.399 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.178 -7.430 18.857 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.081 -9.862 20.757 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.921 -8.517 20.880 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.332 -10.186 20.690 1.00 0.00 H new ATOM 1209 N ASP B 22 0.820 -6.326 18.598 1.00 0.00 N ATOM 1210 CA ASP B 22 0.451 -5.018 19.145 1.00 0.00 C ATOM 1211 C ASP B 22 0.631 -3.920 18.083 1.00 0.00 C ATOM 1212 O ASP B 22 1.264 -4.108 17.041 1.00 0.00 O ATOM 1213 CB ASP B 22 1.392 -4.724 20.333 1.00 0.00 C ATOM 1214 CG ASP B 22 1.181 -3.385 21.069 1.00 0.00 C ATOM 1215 OD1 ASP B 22 0.202 -3.266 21.843 1.00 0.00 O ATOM 1216 OD2 ASP B 22 1.992 -2.455 20.846 1.00 0.00 O ATOM 0 H ASP B 22 1.494 -6.254 17.835 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.593 -5.030 19.459 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.287 -5.531 21.058 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.419 -4.754 19.969 1.00 0.00 H new ATOM 1221 N ALA B 23 0.111 -2.759 18.436 1.00 0.00 N ATOM 1222 CA ALA B 23 0.148 -1.515 17.670 1.00 0.00 C ATOM 1223 C ALA B 23 1.571 -1.137 17.214 1.00 0.00 C ATOM 1224 O ALA B 23 1.746 -0.620 16.117 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.485 -0.395 18.502 1.00 0.00 C ATOM 0 H ALA B 23 -0.382 -2.647 19.322 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.427 -1.663 16.756 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.461 0.537 17.936 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.519 -0.653 18.733 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.074 -0.271 19.430 1.00 0.00 H new ATOM 1231 N ALA B 24 2.603 -1.454 18.000 1.00 0.00 N ATOM 1232 CA ALA B 24 3.996 -1.204 17.662 1.00 0.00 C ATOM 1233 C ALA B 24 4.525 -2.170 16.587 1.00 0.00 C ATOM 1234 O ALA B 24 5.347 -1.775 15.761 1.00 0.00 O ATOM 1235 CB ALA B 24 4.842 -1.287 18.937 1.00 0.00 C ATOM 0 H ALA B 24 2.485 -1.902 18.909 1.00 0.00 H new ATOM 0 HA ALA B 24 4.068 -0.204 17.234 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.888 -1.101 18.693 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.498 -0.539 19.651 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.743 -2.280 19.375 1.00 0.00 H new ATOM 1241 N THR B 25 4.041 -3.415 16.533 1.00 0.00 N ATOM 1242 CA THR B 25 4.374 -4.382 15.474 1.00 0.00 C ATOM 1243 C THR B 25 3.596 -4.090 14.181 1.00 0.00 C ATOM 1244 O THR B 25 4.187 -4.081 13.104 1.00 0.00 O ATOM 1245 CB THR B 25 4.143 -5.819 15.954 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.897 -6.039 17.127 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.563 -6.878 14.932 1.00 0.00 C ATOM 0 H THR B 25 3.398 -3.788 17.232 1.00 0.00 H new ATOM 0 HA THR B 25 5.434 -4.273 15.244 1.00 0.00 H new ATOM 0 HB THR B 25 3.071 -5.919 16.122 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.286 -6.938 17.102 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.372 -7.871 15.338 1.00 0.00 H new ATOM 0 HG22 THR B 25 3.991 -6.745 14.014 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.626 -6.773 14.715 1.00 0.00 H new ATOM 1255 N ALA B 26 2.306 -3.739 14.252 1.00 0.00 N ATOM 1256 CA ALA B 26 1.557 -3.260 13.076 1.00 0.00 C ATOM 1257 C ALA B 26 2.135 -1.960 12.472 1.00 0.00 C ATOM 1258 O ALA B 26 2.293 -1.849 11.256 1.00 0.00 O ATOM 1259 CB ALA B 26 0.100 -3.041 13.473 1.00 0.00 C ATOM 0 H ALA B 26 1.756 -3.777 15.110 1.00 0.00 H new ATOM 0 HA ALA B 26 1.641 -4.024 12.303 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.463 -2.686 12.610 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.327 -3.981 13.823 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.048 -2.299 14.270 1.00 0.00 H new ATOM 1265 N GLU B 27 2.557 -1.049 13.357 1.00 0.00 N ATOM 1266 CA GLU B 27 3.326 0.161 12.984 1.00 0.00 C ATOM 1267 C GLU B 27 4.660 -0.214 12.346 1.00 0.00 C ATOM 1268 O GLU B 27 5.028 0.352 11.318 1.00 0.00 O ATOM 1269 CB GLU B 27 3.567 1.127 14.155 1.00 0.00 C ATOM 1270 CG GLU B 27 4.029 2.501 13.660 1.00 0.00 C ATOM 1271 CD GLU B 27 4.509 3.364 14.817 1.00 0.00 C ATOM 1272 OE1 GLU B 27 3.671 3.810 15.631 1.00 0.00 O ATOM 1273 OE2 GLU B 27 5.731 3.629 14.878 1.00 0.00 O ATOM 0 H GLU B 27 2.378 -1.124 14.358 1.00 0.00 H new ATOM 0 HA GLU B 27 2.704 0.688 12.261 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.649 1.236 14.733 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.318 0.709 14.825 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.833 2.379 12.935 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.209 3.001 13.145 1.00 0.00 H new ATOM 1280 N LYS B 28 5.355 -1.216 12.887 1.00 0.00 N ATOM 1281 CA LYS B 28 6.593 -1.730 12.277 1.00 0.00 C ATOM 1282 C LYS B 28 6.370 -2.339 10.874 1.00 0.00 C ATOM 1283 O LYS B 28 7.085 -1.970 9.943 1.00 0.00 O ATOM 1284 CB LYS B 28 7.264 -2.696 13.270 1.00 0.00 C ATOM 1285 CG LYS B 28 8.438 -3.509 12.709 1.00 0.00 C ATOM 1286 CD LYS B 28 9.139 -4.271 13.848 1.00 0.00 C ATOM 1287 CE LYS B 28 10.121 -5.348 13.365 1.00 0.00 C ATOM 1288 NZ LYS B 28 11.186 -4.809 12.496 1.00 0.00 N ATOM 0 H LYS B 28 5.085 -1.692 13.748 1.00 0.00 H new ATOM 0 HA LYS B 28 7.272 -0.898 12.090 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.619 -2.121 14.126 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.509 -3.389 13.642 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.079 -4.211 11.957 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.147 -2.846 12.213 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.676 -3.557 14.472 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.383 -4.739 14.478 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.575 -5.832 14.230 1.00 0.00 H new ATOM 0 HE3 LYS B 28 9.571 -6.117 12.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 11.987 -5.472 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 10.817 -4.683 11.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.506 -3.892 12.867 1.00 0.00 H new ATOM 1302 N VAL B 29 5.367 -3.203 10.662 1.00 0.00 N ATOM 1303 CA VAL B 29 5.019 -3.738 9.324 1.00 0.00 C ATOM 1304 C VAL B 29 4.670 -2.613 8.339 1.00 0.00 C ATOM 1305 O VAL B 29 5.261 -2.526 7.260 1.00 0.00 O ATOM 1306 CB VAL B 29 3.859 -4.757 9.421 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.342 -5.218 8.051 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.306 -6.016 10.177 1.00 0.00 C ATOM 0 H VAL B 29 4.769 -3.555 11.410 1.00 0.00 H new ATOM 0 HA VAL B 29 5.899 -4.254 8.940 1.00 0.00 H new ATOM 0 HB VAL B 29 3.060 -4.233 9.946 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.530 -5.931 8.190 1.00 0.00 H new ATOM 0 HG12 VAL B 29 2.977 -4.357 7.491 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.152 -5.694 7.498 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.476 -6.720 10.234 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.140 -6.480 9.650 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.620 -5.743 11.184 1.00 0.00 H new ATOM 1318 N PHE B 30 3.770 -1.703 8.717 1.00 0.00 N ATOM 1319 CA PHE B 30 3.417 -0.571 7.855 1.00 0.00 C ATOM 1320 C PHE B 30 4.622 0.339 7.526 1.00 0.00 C ATOM 1321 O PHE B 30 4.784 0.770 6.383 1.00 0.00 O ATOM 1322 CB PHE B 30 2.295 0.265 8.481 1.00 0.00 C ATOM 1323 CG PHE B 30 0.976 -0.444 8.765 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.436 -1.385 7.860 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.267 -0.138 9.944 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.789 -2.015 8.142 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.957 -0.771 10.223 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.488 -1.704 9.320 1.00 0.00 C ATOM 0 H PHE B 30 3.275 -1.726 9.608 1.00 0.00 H new ATOM 0 HA PHE B 30 3.071 -1.005 6.917 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.665 0.679 9.419 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.091 1.107 7.819 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.966 -1.621 6.949 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.666 0.587 10.637 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.193 -2.740 7.451 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.489 -0.539 11.134 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.433 -2.183 9.530 1.00 0.00 H new ATOM 1338 N LYS B 31 5.513 0.571 8.493 1.00 0.00 N ATOM 1339 CA LYS B 31 6.757 1.316 8.260 1.00 0.00 C ATOM 1340 C LYS B 31 7.815 0.535 7.466 1.00 0.00 C ATOM 1341 O LYS B 31 8.704 1.154 6.887 1.00 0.00 O ATOM 1342 CB LYS B 31 7.351 1.828 9.578 1.00 0.00 C ATOM 1343 CG LYS B 31 6.558 3.044 10.069 1.00 0.00 C ATOM 1344 CD LYS B 31 7.156 3.600 11.360 1.00 0.00 C ATOM 1345 CE LYS B 31 6.414 4.886 11.742 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.890 5.428 13.028 1.00 0.00 N ATOM 0 H LYS B 31 5.396 0.251 9.454 1.00 0.00 H new ATOM 0 HA LYS B 31 6.472 2.164 7.637 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.326 1.039 10.329 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.397 2.099 9.435 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.558 3.817 9.301 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.519 2.762 10.237 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.072 2.865 12.161 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.218 3.804 11.225 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.552 5.632 10.959 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.345 4.684 11.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.562 6.409 13.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.515 4.851 13.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.930 5.406 13.051 1.00 0.00 H new ATOM 1360 N GLN B 32 7.761 -0.795 7.397 1.00 0.00 N ATOM 1361 CA GLN B 32 8.619 -1.598 6.513 1.00 0.00 C ATOM 1362 C GLN B 32 8.243 -1.445 5.024 1.00 0.00 C ATOM 1363 O GLN B 32 9.135 -1.305 4.184 1.00 0.00 O ATOM 1364 CB GLN B 32 8.577 -3.067 6.975 1.00 0.00 C ATOM 1365 CG GLN B 32 9.671 -3.333 8.019 1.00 0.00 C ATOM 1366 CD GLN B 32 9.467 -4.606 8.814 1.00 0.00 C ATOM 1367 OE1 GLN B 32 9.787 -4.662 9.994 1.00 0.00 O ATOM 1368 NE2 GLN B 32 8.959 -5.664 8.222 1.00 0.00 N ATOM 0 H GLN B 32 7.117 -1.354 7.956 1.00 0.00 H new ATOM 0 HA GLN B 32 9.642 -1.229 6.589 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.599 -3.293 7.399 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.714 -3.728 6.119 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.636 -3.382 7.515 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.714 -2.489 8.708 1.00 0.00 H new ATOM 0 HE21 GLN B 32 8.692 -5.619 7.239 1.00 0.00 H new ATOM 0 HE22 GLN B 32 8.832 -6.530 8.746 1.00 0.00 H new ATOM 1377 N TYR B 33 6.949 -1.388 4.680 1.00 0.00 N ATOM 1378 CA TYR B 33 6.492 -1.055 3.312 1.00 0.00 C ATOM 1379 C TYR B 33 6.671 0.442 2.969 1.00 0.00 C ATOM 1380 O TYR B 33 7.173 0.793 1.899 1.00 0.00 O ATOM 1381 CB TYR B 33 5.007 -1.431 3.145 1.00 0.00 C ATOM 1382 CG TYR B 33 4.721 -2.903 2.877 1.00 0.00 C ATOM 1383 CD1 TYR B 33 4.929 -3.869 3.883 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.197 -3.303 1.628 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.618 -5.222 3.644 1.00 0.00 C ATOM 1386 CE2 TYR B 33 3.888 -4.657 1.395 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.093 -5.612 2.401 1.00 0.00 C ATOM 1388 OH TYR B 33 3.772 -6.914 2.172 1.00 0.00 O ATOM 0 H TYR B 33 6.188 -1.570 5.335 1.00 0.00 H new ATOM 0 HA TYR B 33 7.114 -1.631 2.627 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.473 -1.135 4.048 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.594 -0.845 2.324 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.328 -3.570 4.841 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.033 -2.570 0.852 1.00 0.00 H new ATOM 0 HE1 TYR B 33 4.783 -5.959 4.416 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.492 -4.961 0.438 1.00 0.00 H new ATOM 0 HH TYR B 33 3.030 -6.961 1.533 1.00 0.00 H new ATOM 1398 N PHE B 34 6.282 1.302 3.913 1.00 0.00 N ATOM 1399 CA PHE B 34 6.153 2.761 3.737 1.00 0.00 C ATOM 1400 C PHE B 34 7.285 3.603 4.377 1.00 0.00 C ATOM 1401 O PHE B 34 7.066 4.744 4.790 1.00 0.00 O ATOM 1402 CB PHE B 34 4.734 3.203 4.148 1.00 0.00 C ATOM 1403 CG PHE B 34 3.604 2.382 3.534 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.553 2.165 2.142 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.610 1.809 4.354 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.541 1.368 1.579 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.598 1.009 3.793 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.564 0.787 2.406 1.00 0.00 C ATOM 0 H PHE B 34 6.038 0.997 4.855 1.00 0.00 H new ATOM 0 HA PHE B 34 6.289 2.972 2.676 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.653 3.151 5.234 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.599 4.248 3.868 1.00 0.00 H new ATOM 0 HD1 PHE B 34 4.298 2.615 1.502 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.626 1.985 5.419 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.514 1.202 0.512 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.846 0.565 4.429 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.788 0.171 1.976 1.00 0.00 H new ATOM 1418 N ASN B 35 8.500 3.048 4.474 1.00 0.00 N ATOM 1419 CA ASN B 35 9.645 3.660 5.162 1.00 0.00 C ATOM 1420 C ASN B 35 10.085 5.033 4.592 1.00 0.00 C ATOM 1421 O ASN B 35 10.121 6.033 5.314 1.00 0.00 O ATOM 1422 CB ASN B 35 10.819 2.658 5.137 1.00 0.00 C ATOM 1423 CG ASN B 35 11.711 2.848 6.348 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.730 3.527 6.309 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.327 2.257 7.460 1.00 0.00 N ATOM 0 H ASN B 35 8.720 2.139 4.067 1.00 0.00 H new ATOM 0 HA ASN B 35 9.328 3.876 6.182 1.00 0.00 H new ATOM 0 HB2 ASN B 35 10.433 1.639 5.119 1.00 0.00 H new ATOM 0 HB3 ASN B 35 11.401 2.794 4.225 1.00 0.00 H new ATOM 0 HD21 ASN B 35 11.881 2.360 8.310 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.475 1.696 7.471 1.00 0.00 H new ATOM 1432 N ASP B 36 10.425 5.061 3.295 1.00 0.00 N ATOM 1433 CA ASP B 36 11.008 6.200 2.549 1.00 0.00 C ATOM 1434 C ASP B 36 10.984 6.004 1.019 1.00 0.00 C ATOM 1435 O ASP B 36 11.823 6.542 0.290 1.00 0.00 O ATOM 1436 CB ASP B 36 12.453 6.473 3.024 1.00 0.00 C ATOM 1437 CG ASP B 36 13.527 5.452 2.567 1.00 0.00 C ATOM 1438 OD1 ASP B 36 13.222 4.243 2.411 1.00 0.00 O ATOM 1439 OD2 ASP B 36 14.697 5.867 2.385 1.00 0.00 O ATOM 0 H ASP B 36 10.295 4.244 2.698 1.00 0.00 H new ATOM 0 HA ASP B 36 10.378 7.062 2.766 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.748 7.462 2.673 1.00 0.00 H new ATOM 0 HB3 ASP B 36 12.455 6.508 4.113 1.00 0.00 H new ATOM 1444 N ASN B 37 10.033 5.206 0.530 1.00 0.00 N ATOM 1445 CA ASN B 37 9.868 4.932 -0.905 1.00 0.00 C ATOM 1446 C ASN B 37 9.649 6.223 -1.741 1.00 0.00 C ATOM 1447 O ASN B 37 10.184 6.375 -2.842 1.00 0.00 O ATOM 1448 CB ASN B 37 8.760 3.872 -1.089 1.00 0.00 C ATOM 1449 CG ASN B 37 7.406 4.198 -0.464 1.00 0.00 C ATOM 1450 OD1 ASN B 37 7.015 5.345 -0.286 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.661 3.192 -0.071 1.00 0.00 N ATOM 0 H ASN B 37 9.351 4.728 1.118 1.00 0.00 H new ATOM 0 HA ASN B 37 10.796 4.520 -1.302 1.00 0.00 H new ATOM 0 HB2 ASN B 37 8.614 3.710 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN B 37 9.113 2.930 -0.669 1.00 0.00 H new ATOM 0 HD21 ASN B 37 5.763 3.368 0.379 1.00 0.00 H new ATOM 0 HD22 ASN B 37 6.980 2.234 -0.216 1.00 0.00 H new ATOM 1458 N GLY B 38 8.892 7.161 -1.167 1.00 0.00 N ATOM 1459 CA GLY B 38 8.501 8.435 -1.784 1.00 0.00 C ATOM 1460 C GLY B 38 7.437 9.243 -1.031 1.00 0.00 C ATOM 1461 O GLY B 38 7.442 10.472 -1.129 1.00 0.00 O ATOM 0 H GLY B 38 8.519 7.052 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.392 9.054 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY B 38 8.132 8.232 -2.789 1.00 0.00 H new ATOM 1465 N VAL B 39 6.546 8.595 -0.265 1.00 0.00 N ATOM 1466 CA VAL B 39 5.494 9.295 0.507 1.00 0.00 C ATOM 1467 C VAL B 39 6.069 10.293 1.531 1.00 0.00 C ATOM 1468 O VAL B 39 5.661 11.454 1.548 1.00 0.00 O ATOM 1469 CB VAL B 39 4.501 8.304 1.160 1.00 0.00 C ATOM 1470 CG1 VAL B 39 5.113 7.349 2.195 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.321 9.028 1.820 1.00 0.00 C ATOM 0 H VAL B 39 6.529 7.581 -0.160 1.00 0.00 H new ATOM 0 HA VAL B 39 4.931 9.888 -0.213 1.00 0.00 H new ATOM 0 HB VAL B 39 4.167 7.698 0.318 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.335 6.697 2.593 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.886 6.745 1.720 1.00 0.00 H new ATOM 0 HG13 VAL B 39 5.553 7.927 3.008 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.648 8.296 2.266 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.693 9.698 2.595 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.782 9.605 1.069 1.00 0.00 H new ATOM 1481 N ASP B 40 7.053 9.864 2.340 1.00 0.00 N ATOM 1482 CA ASP B 40 7.728 10.629 3.416 1.00 0.00 C ATOM 1483 C ASP B 40 6.802 11.580 4.220 1.00 0.00 C ATOM 1484 O ASP B 40 7.150 12.723 4.527 1.00 0.00 O ATOM 1485 CB ASP B 40 8.978 11.321 2.828 1.00 0.00 C ATOM 1486 CG ASP B 40 9.927 11.943 3.879 1.00 0.00 C ATOM 1487 OD1 ASP B 40 10.206 11.293 4.917 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.438 13.065 3.641 1.00 0.00 O ATOM 0 H ASP B 40 7.425 8.918 2.260 1.00 0.00 H new ATOM 0 HA ASP B 40 8.044 9.920 4.181 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.537 10.593 2.240 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.654 12.104 2.142 1.00 0.00 H new ATOM 1493 N GLY B 41 5.585 11.113 4.513 1.00 0.00 N ATOM 1494 CA GLY B 41 4.491 11.912 5.088 1.00 0.00 C ATOM 1495 C GLY B 41 4.425 11.904 6.623 1.00 0.00 C ATOM 1496 O GLY B 41 5.211 11.234 7.301 1.00 0.00 O ATOM 0 H GLY B 41 5.323 10.140 4.353 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.595 12.942 4.748 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.544 11.541 4.696 1.00 0.00 H new ATOM 1500 N GLU B 42 3.464 12.650 7.173 1.00 0.00 N ATOM 1501 CA GLU B 42 3.091 12.637 8.604 1.00 0.00 C ATOM 1502 C GLU B 42 2.316 11.367 8.974 1.00 0.00 C ATOM 1503 O GLU B 42 1.571 10.842 8.150 1.00 0.00 O ATOM 1504 CB GLU B 42 2.243 13.883 8.927 1.00 0.00 C ATOM 1505 CG GLU B 42 1.905 14.095 10.405 1.00 0.00 C ATOM 1506 CD GLU B 42 3.163 14.265 11.249 1.00 0.00 C ATOM 1507 OE1 GLU B 42 3.726 13.240 11.694 1.00 0.00 O ATOM 1508 OE2 GLU B 42 3.576 15.426 11.473 1.00 0.00 O ATOM 0 H GLU B 42 2.903 13.302 6.625 1.00 0.00 H new ATOM 0 HA GLU B 42 4.008 12.650 9.194 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.773 14.764 8.565 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.311 13.820 8.366 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.273 14.976 10.512 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.331 13.245 10.773 1.00 0.00 H new ATOM 1515 N TRP B 43 2.475 10.911 10.216 1.00 0.00 N ATOM 1516 CA TRP B 43 1.826 9.713 10.781 1.00 0.00 C ATOM 1517 C TRP B 43 0.908 10.040 11.979 1.00 0.00 C ATOM 1518 O TRP B 43 1.252 10.843 12.852 1.00 0.00 O ATOM 1519 CB TRP B 43 2.887 8.667 11.170 1.00 0.00 C ATOM 1520 CG TRP B 43 3.571 7.955 10.036 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.438 8.517 9.165 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.470 6.550 9.634 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.858 7.580 8.243 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.288 6.349 8.479 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.767 5.423 10.120 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.394 5.108 7.834 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.868 4.170 9.482 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.672 4.013 8.337 1.00 0.00 C ATOM 0 H TRP B 43 3.082 11.380 10.888 1.00 0.00 H new ATOM 0 HA TRP B 43 1.183 9.298 10.005 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.649 9.161 11.772 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.413 7.920 11.806 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.756 9.549 9.187 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.509 7.775 7.482 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.142 5.524 10.995 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.022 4.996 6.963 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.324 3.324 9.875 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.734 3.053 7.846 1.00 0.00 H new ATOM 1539 N THR B 44 -0.253 9.383 12.037 1.00 0.00 N ATOM 1540 CA THR B 44 -1.286 9.496 13.093 1.00 0.00 C ATOM 1541 C THR B 44 -1.845 8.100 13.430 1.00 0.00 C ATOM 1542 O THR B 44 -1.842 7.221 12.562 1.00 0.00 O ATOM 1543 CB THR B 44 -2.444 10.401 12.610 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.970 11.643 12.127 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.489 10.721 13.682 1.00 0.00 C ATOM 0 H THR B 44 -0.521 8.718 11.312 1.00 0.00 H new ATOM 0 HA THR B 44 -0.830 9.933 13.981 1.00 0.00 H new ATOM 0 HB THR B 44 -2.915 9.812 11.823 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.727 12.189 11.829 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.263 11.360 13.256 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.939 9.795 14.040 1.00 0.00 H new ATOM 0 HG23 THR B 44 -3.010 11.237 14.514 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.363 7.870 14.645 1.00 0.00 N ATOM 1554 CA TYR B 45 -2.968 6.596 15.083 1.00 0.00 C ATOM 1555 C TYR B 45 -4.163 6.805 16.038 1.00 0.00 C ATOM 1556 O TYR B 45 -4.134 7.688 16.902 1.00 0.00 O ATOM 1557 CB TYR B 45 -1.893 5.756 15.796 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.401 4.501 16.494 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -2.887 3.417 15.739 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.399 4.413 17.902 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.345 2.250 16.378 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -2.866 3.247 18.541 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.335 2.164 17.778 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.782 1.034 18.392 1.00 0.00 O ATOM 0 H TYR B 45 -2.375 8.583 15.374 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.345 6.085 14.197 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.139 5.465 15.064 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.395 6.385 16.534 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.909 3.481 14.661 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.038 5.242 18.492 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.705 1.419 15.789 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -2.863 3.186 19.619 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.072 1.249 19.303 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.191 5.964 15.897 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.377 5.850 16.765 1.00 0.00 C ATOM 1576 C ASP B 46 -6.464 4.466 17.408 1.00 0.00 C ATOM 1577 O ASP B 46 -6.524 3.459 16.695 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.631 6.076 15.918 1.00 0.00 C ATOM 1579 CG ASP B 46 -8.879 6.332 16.768 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -9.115 7.491 17.188 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -9.621 5.354 16.995 1.00 0.00 O ATOM 0 H ASP B 46 -5.224 5.299 15.124 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.298 6.596 17.556 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.468 6.925 15.254 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -7.799 5.204 15.286 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.479 4.375 18.740 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.500 3.093 19.460 1.00 0.00 C ATOM 1588 C ASP B 47 -7.911 2.499 19.578 1.00 0.00 C ATOM 1589 O ASP B 47 -8.083 1.286 19.579 1.00 0.00 O ATOM 1590 CB ASP B 47 -5.847 3.313 20.838 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.462 1.995 21.527 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -4.619 1.252 20.969 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -6.043 1.676 22.591 1.00 0.00 O ATOM 0 H ASP B 47 -6.477 5.189 19.354 1.00 0.00 H new ATOM 0 HA ASP B 47 -5.934 2.354 18.893 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -4.956 3.930 20.719 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.535 3.866 21.478 1.00 0.00 H new ATOM 1598 N ALA B 48 -8.937 3.347 19.601 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.361 2.937 19.639 1.00 0.00 C ATOM 1600 C ALA B 48 -10.836 2.209 18.367 1.00 0.00 C ATOM 1601 O ALA B 48 -11.890 1.568 18.334 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.234 4.186 19.783 1.00 0.00 C ATOM 0 H ALA B 48 -8.812 4.359 19.594 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.452 2.249 20.479 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.284 3.895 19.812 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.976 4.706 20.706 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.064 4.848 18.934 1.00 0.00 H new ATOM 1608 N THR B 49 -10.033 2.380 17.323 1.00 0.00 N ATOM 1609 CA THR B 49 -10.269 1.834 15.990 1.00 0.00 C ATOM 1610 C THR B 49 -9.080 1.064 15.399 1.00 0.00 C ATOM 1611 O THR B 49 -9.176 0.563 14.276 1.00 0.00 O ATOM 1612 CB THR B 49 -10.842 2.919 15.066 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.899 3.917 14.788 1.00 0.00 O ATOM 1614 CG2 THR B 49 -12.090 3.608 15.628 1.00 0.00 C ATOM 0 H THR B 49 -9.170 2.921 17.383 1.00 0.00 H new ATOM 0 HA THR B 49 -11.026 1.056 16.089 1.00 0.00 H new ATOM 0 HB THR B 49 -11.115 2.382 14.158 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.984 4.639 15.445 1.00 0.00 H new ATOM 0 HG21 THR B 49 -12.439 4.362 14.922 1.00 0.00 H new ATOM 0 HG22 THR B 49 -12.875 2.868 15.785 1.00 0.00 H new ATOM 0 HG23 THR B 49 -11.846 4.085 16.577 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.968 0.921 16.142 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.761 0.177 15.741 1.00 0.00 C ATOM 1624 C LYS B 50 -6.264 0.580 14.343 1.00 0.00 C ATOM 1625 O LYS B 50 -5.799 -0.245 13.549 1.00 0.00 O ATOM 1626 CB LYS B 50 -6.981 -1.341 15.915 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.440 -1.773 17.320 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.534 -1.235 18.437 1.00 0.00 C ATOM 1629 CE LYS B 50 -6.974 -1.777 19.804 1.00 0.00 C ATOM 1630 NZ LYS B 50 -6.574 -0.887 20.907 1.00 0.00 N ATOM 0 H LYS B 50 -7.882 1.335 17.070 1.00 0.00 H new ATOM 0 HA LYS B 50 -5.946 0.453 16.410 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.724 -1.671 15.189 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.051 -1.858 15.678 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.459 -1.425 17.487 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.463 -2.862 17.370 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.500 -1.521 18.243 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.567 -0.146 18.445 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.057 -1.901 19.813 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.539 -2.764 19.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.543 -1.427 21.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.633 -0.491 20.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.263 -0.114 20.996 1.00 0.00 H new ATOM 1644 N THR B 51 -6.405 1.871 14.036 1.00 0.00 N ATOM 1645 CA THR B 51 -6.187 2.388 12.670 1.00 0.00 C ATOM 1646 C THR B 51 -5.126 3.485 12.641 1.00 0.00 C ATOM 1647 O THR B 51 -5.094 4.366 13.502 1.00 0.00 O ATOM 1648 CB THR B 51 -7.510 2.873 12.041 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.428 1.804 11.917 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.345 3.436 10.625 1.00 0.00 C ATOM 0 H THR B 51 -6.670 2.586 14.714 1.00 0.00 H new ATOM 0 HA THR B 51 -5.812 1.561 12.067 1.00 0.00 H new ATOM 0 HB THR B 51 -7.862 3.655 12.713 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.636 1.447 12.806 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.315 3.757 10.246 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.665 4.287 10.649 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.938 2.664 9.972 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.258 3.444 11.632 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.154 4.363 11.370 1.00 0.00 C ATOM 1660 C PHE B 52 -3.446 5.148 10.082 1.00 0.00 C ATOM 1661 O PHE B 52 -4.026 4.609 9.135 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.854 3.569 11.170 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.282 2.928 12.416 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.733 1.663 12.840 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.277 3.593 13.143 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.180 1.066 13.987 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.262 3.004 14.298 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.192 1.743 14.720 1.00 0.00 C ATOM 0 H PHE B 52 -4.313 2.712 10.924 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.047 5.043 12.215 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.036 2.788 10.432 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.103 4.237 10.749 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.504 1.151 12.284 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.080 4.557 12.812 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.514 0.089 14.303 1.00 0.00 H new ATOM 0 HE2 PHE B 52 1.025 3.520 14.862 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.220 1.293 15.611 1.00 0.00 H new ATOM 1678 N THR B 53 -3.028 6.405 10.027 1.00 0.00 N ATOM 1679 CA THR B 53 -3.204 7.276 8.854 1.00 0.00 C ATOM 1680 C THR B 53 -1.872 7.935 8.487 1.00 0.00 C ATOM 1681 O THR B 53 -1.142 8.396 9.369 1.00 0.00 O ATOM 1682 CB THR B 53 -4.275 8.351 9.128 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.485 7.767 9.564 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.613 9.189 7.894 1.00 0.00 C ATOM 0 H THR B 53 -2.549 6.863 10.803 1.00 0.00 H new ATOM 0 HA THR B 53 -3.540 6.665 8.016 1.00 0.00 H new ATOM 0 HB THR B 53 -3.840 8.990 9.896 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.146 8.471 9.732 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.372 9.927 8.152 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.716 9.699 7.544 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.992 8.539 7.105 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.558 7.984 7.189 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.330 8.572 6.617 1.00 0.00 C ATOM 1694 C VAL B 54 -0.720 9.637 5.589 1.00 0.00 C ATOM 1695 O VAL B 54 -1.528 9.361 4.702 1.00 0.00 O ATOM 1696 CB VAL B 54 0.567 7.503 5.958 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.895 8.104 5.478 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.897 6.374 6.939 1.00 0.00 C ATOM 0 H VAL B 54 -2.175 7.600 6.473 1.00 0.00 H new ATOM 0 HA VAL B 54 0.245 9.022 7.427 1.00 0.00 H new ATOM 0 HB VAL B 54 0.005 7.113 5.109 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.503 7.324 5.019 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.697 8.887 4.746 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.430 8.528 6.327 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.530 5.637 6.445 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.422 6.784 7.802 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.026 5.897 7.269 1.00 0.00 H new ATOM 1708 N THR B 55 -0.201 10.857 5.733 1.00 0.00 N ATOM 1709 CA THR B 55 -0.588 12.010 4.894 1.00 0.00 C ATOM 1710 C THR B 55 0.620 12.830 4.402 1.00 0.00 C ATOM 1711 O THR B 55 1.443 13.266 5.212 1.00 0.00 O ATOM 1712 CB THR B 55 -1.617 12.895 5.629 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.769 12.149 5.964 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.105 14.085 4.800 1.00 0.00 C ATOM 0 H THR B 55 0.503 11.082 6.436 1.00 0.00 H new ATOM 0 HA THR B 55 -1.058 11.607 3.997 1.00 0.00 H new ATOM 0 HB THR B 55 -1.089 13.260 6.510 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.409 12.727 6.430 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.825 14.662 5.380 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.258 14.719 4.540 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.580 13.723 3.888 1.00 0.00 H new ATOM 1722 N GLU B 56 0.722 13.047 3.080 1.00 0.00 N ATOM 1723 CA GLU B 56 1.690 13.986 2.457 1.00 0.00 C ATOM 1724 C GLU B 56 1.396 15.444 2.830 1.00 0.00 C ATOM 1725 O GLU B 56 2.321 16.118 3.332 1.00 0.00 O ATOM 1726 CB GLU B 56 1.763 13.877 0.925 1.00 0.00 C ATOM 1727 CG GLU B 56 2.445 12.586 0.466 1.00 0.00 C ATOM 1728 CD GLU B 56 2.829 12.633 -1.009 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.565 13.560 -1.415 1.00 0.00 O ATOM 1730 OE2 GLU B 56 2.397 11.734 -1.765 1.00 0.00 O ATOM 1731 OXT GLU B 56 0.256 15.906 2.606 1.00 0.00 O ATOM 0 H GLU B 56 0.130 12.572 2.399 1.00 0.00 H new ATOM 0 HA GLU B 56 2.656 13.685 2.862 1.00 0.00 H new ATOM 0 HB2 GLU B 56 0.755 13.920 0.512 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.307 14.734 0.528 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.338 12.415 1.067 1.00 0.00 H new ATOM 0 HG3 GLU B 56 1.777 11.742 0.640 1.00 0.00 H new