USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 575 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.837 (180deg=-0.944) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 116:sc= 0.109 USER MOD Single : A 16 GLN : amide:sc= -0.0191 K(o=-0.019,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= -0.0116 (180deg=-0.0955) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.784 USER MOD Single : A 25 MET CE :methyl -135:sc= -5! (180deg=-10.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0242) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.261 F(o=-1.5!,f=0.26) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0488 (180deg=-0.155) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 51 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.507 K(o=-0.51,f=-2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= -0.167 (180deg=-0.643) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.181 -1.373 -0.244 1.00 0.00 N ATOM 2 CA MET A 1 -2.110 -2.826 -0.148 1.00 0.00 C ATOM 3 C MET A 1 -1.218 -3.400 -1.244 1.00 0.00 C ATOM 4 O MET A 1 -1.335 -4.572 -1.603 1.00 0.00 O ATOM 5 CB MET A 1 -3.511 -3.434 -0.245 1.00 0.00 C ATOM 6 CG MET A 1 -4.517 -2.795 0.699 1.00 0.00 C ATOM 7 SD MET A 1 -6.179 -3.465 0.499 1.00 0.00 S ATOM 8 CE MET A 1 -7.082 -1.993 0.022 1.00 0.00 C ATOM 0 H1 MET A 1 -2.679 -0.994 0.587 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.219 -0.980 -0.280 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.696 -1.107 -1.108 1.00 0.00 H new ATOM 0 HA MET A 1 -1.677 -3.080 0.819 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.871 -3.334 -1.269 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.451 -4.501 -0.031 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.190 -2.945 1.728 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.540 -1.719 0.526 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.130 -2.245 -0.138 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.005 -1.247 0.813 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.661 -1.590 -0.899 1.00 0.00 H new ATOM 18 N ASP A 2 -0.326 -2.568 -1.771 1.00 0.00 N ATOM 19 CA ASP A 2 0.587 -2.994 -2.825 1.00 0.00 C ATOM 20 C ASP A 2 -0.181 -3.379 -4.086 1.00 0.00 C ATOM 21 O ASP A 2 -0.343 -4.560 -4.388 1.00 0.00 O ATOM 22 CB ASP A 2 1.435 -4.174 -2.349 1.00 0.00 C ATOM 23 CG ASP A 2 2.814 -3.747 -1.886 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.013 -2.536 -1.654 1.00 0.00 O ATOM 25 OD2 ASP A 2 3.693 -4.623 -1.754 1.00 0.00 O ATOM 0 H ASP A 2 -0.216 -1.595 -1.485 1.00 0.00 H new ATOM 0 HA ASP A 2 1.244 -2.157 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.921 -4.680 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.535 -4.896 -3.159 1.00 0.00 H new ATOM 30 N GLU A 3 -0.651 -2.372 -4.817 1.00 0.00 N ATOM 31 CA GLU A 3 -1.403 -2.607 -6.044 1.00 0.00 C ATOM 32 C GLU A 3 -0.474 -3.030 -7.179 1.00 0.00 C ATOM 33 O GLU A 3 -0.248 -2.275 -8.126 1.00 0.00 O ATOM 34 CB GLU A 3 -2.174 -1.347 -6.444 1.00 0.00 C ATOM 35 CG GLU A 3 -1.307 -0.102 -6.525 1.00 0.00 C ATOM 36 CD GLU A 3 -1.396 0.753 -5.276 1.00 0.00 C ATOM 37 OE1 GLU A 3 -2.527 1.067 -4.851 1.00 0.00 O ATOM 38 OE2 GLU A 3 -0.333 1.108 -4.724 1.00 0.00 O ATOM 0 H GLU A 3 -0.524 -1.388 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.111 -3.414 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.648 -1.513 -7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.973 -1.176 -5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.270 -0.396 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.608 0.491 -7.389 1.00 0.00 H new ATOM 45 N THR A 4 0.062 -4.242 -7.077 1.00 0.00 N ATOM 46 CA THR A 4 0.967 -4.765 -8.092 1.00 0.00 C ATOM 47 C THR A 4 0.234 -5.687 -9.060 1.00 0.00 C ATOM 48 O THR A 4 0.615 -5.811 -10.223 1.00 0.00 O ATOM 49 CB THR A 4 2.140 -5.535 -7.456 1.00 0.00 C ATOM 50 OG1 THR A 4 3.119 -5.848 -8.453 1.00 0.00 O ATOM 51 CG2 THR A 4 1.652 -6.817 -6.798 1.00 0.00 C ATOM 0 H THR A 4 -0.115 -4.880 -6.301 1.00 0.00 H new ATOM 0 HA THR A 4 1.359 -3.907 -8.638 1.00 0.00 H new ATOM 0 HB THR A 4 2.590 -4.901 -6.692 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.862 -6.336 -8.040 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.498 -7.344 -6.356 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.929 -6.574 -6.020 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.180 -7.453 -7.546 1.00 0.00 H new ATOM 59 N GLY A 5 -0.821 -6.332 -8.571 1.00 0.00 N ATOM 60 CA GLY A 5 -1.592 -7.234 -9.407 1.00 0.00 C ATOM 61 C GLY A 5 -2.454 -8.181 -8.596 1.00 0.00 C ATOM 62 O GLY A 5 -3.612 -8.424 -8.937 1.00 0.00 O ATOM 0 H GLY A 5 -1.155 -6.246 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.227 -6.652 -10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.914 -7.812 -10.035 1.00 0.00 H new ATOM 66 N LYS A 6 -1.889 -8.719 -7.521 1.00 0.00 N ATOM 67 CA LYS A 6 -2.613 -9.646 -6.659 1.00 0.00 C ATOM 68 C LYS A 6 -3.747 -8.935 -5.927 1.00 0.00 C ATOM 69 O LYS A 6 -3.566 -8.446 -4.812 1.00 0.00 O ATOM 70 CB LYS A 6 -1.659 -10.284 -5.647 1.00 0.00 C ATOM 71 CG LYS A 6 -0.586 -11.151 -6.284 1.00 0.00 C ATOM 72 CD LYS A 6 -1.158 -12.467 -6.784 1.00 0.00 C ATOM 73 CE LYS A 6 -1.288 -13.482 -5.659 1.00 0.00 C ATOM 74 NZ LYS A 6 -1.152 -14.879 -6.154 1.00 0.00 N ATOM 0 H LYS A 6 -0.931 -8.529 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.043 -10.427 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.180 -9.496 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.236 -10.890 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.128 -10.613 -7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.203 -11.348 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.136 -12.293 -7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.515 -12.870 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.525 -13.288 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.256 -13.362 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.247 -15.540 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.895 -15.073 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.219 -15.001 -6.596 1.00 0.00 H new ATOM 88 N GLU A 7 -4.914 -8.884 -6.560 1.00 0.00 N ATOM 89 CA GLU A 7 -6.076 -8.234 -5.967 1.00 0.00 C ATOM 90 C GLU A 7 -7.273 -9.180 -5.938 1.00 0.00 C ATOM 91 O GLU A 7 -7.176 -10.335 -6.353 1.00 0.00 O ATOM 92 CB GLU A 7 -6.433 -6.967 -6.748 1.00 0.00 C ATOM 93 CG GLU A 7 -5.353 -5.899 -6.700 1.00 0.00 C ATOM 94 CD GLU A 7 -5.467 -4.904 -7.839 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.969 -5.290 -8.916 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.054 -3.740 -7.654 1.00 0.00 O ATOM 0 H GLU A 7 -5.080 -9.285 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.824 -7.962 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.624 -7.233 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.359 -6.553 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.415 -5.367 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.374 -6.376 -6.735 1.00 0.00 H new ATOM 103 N LEU A 8 -8.402 -8.682 -5.444 1.00 0.00 N ATOM 104 CA LEU A 8 -9.618 -9.482 -5.359 1.00 0.00 C ATOM 105 C LEU A 8 -10.741 -8.854 -6.179 1.00 0.00 C ATOM 106 O LEU A 8 -10.922 -7.637 -6.174 1.00 0.00 O ATOM 107 CB LEU A 8 -10.057 -9.626 -3.901 1.00 0.00 C ATOM 108 CG LEU A 8 -9.408 -10.766 -3.115 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.885 -12.113 -3.637 1.00 0.00 C ATOM 110 CD2 LEU A 8 -7.892 -10.670 -3.188 1.00 0.00 C ATOM 0 H LEU A 8 -8.500 -7.728 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.402 -10.470 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.847 -8.689 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.138 -9.766 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.707 -10.677 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.413 -12.912 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.968 -12.182 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.617 -12.211 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.448 -11.489 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.573 -10.732 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.567 -9.720 -2.765 1.00 0.00 H new ATOM 122 N VAL A 9 -11.494 -9.694 -6.883 1.00 0.00 N ATOM 123 CA VAL A 9 -12.601 -9.223 -7.706 1.00 0.00 C ATOM 124 C VAL A 9 -13.898 -9.938 -7.344 1.00 0.00 C ATOM 125 O VAL A 9 -13.880 -11.037 -6.789 1.00 0.00 O ATOM 126 CB VAL A 9 -12.314 -9.431 -9.205 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.224 -8.482 -9.677 1.00 0.00 C ATOM 128 CG2 VAL A 9 -11.929 -10.877 -9.478 1.00 0.00 C ATOM 0 H VAL A 9 -11.357 -10.705 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.710 -8.157 -7.509 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.222 -9.209 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.035 -8.644 -10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.544 -7.452 -9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.310 -8.669 -9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.730 -11.006 -10.542 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.035 -11.129 -8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.746 -11.534 -9.180 1.00 0.00 H new ATOM 138 N LEU A 10 -15.023 -9.306 -7.660 1.00 0.00 N ATOM 139 CA LEU A 10 -16.332 -9.882 -7.369 1.00 0.00 C ATOM 140 C LEU A 10 -17.079 -10.213 -8.656 1.00 0.00 C ATOM 141 O LEU A 10 -17.262 -9.355 -9.518 1.00 0.00 O ATOM 142 CB LEU A 10 -17.158 -8.915 -6.520 1.00 0.00 C ATOM 143 CG LEU A 10 -18.616 -9.309 -6.282 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.698 -10.662 -5.592 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.329 -8.245 -5.459 1.00 0.00 C ATOM 0 H LEU A 10 -15.055 -8.395 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.180 -10.806 -6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.670 -8.805 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.141 -7.936 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 10 -19.113 -9.386 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.743 -10.926 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.225 -11.419 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.184 -10.613 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.365 -8.542 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.831 -8.135 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.302 -7.294 -5.992 1.00 0.00 H new ATOM 157 N ALA A 11 -17.511 -11.464 -8.778 1.00 0.00 N ATOM 158 CA ALA A 11 -18.243 -11.908 -9.958 1.00 0.00 C ATOM 159 C ALA A 11 -19.617 -11.251 -10.031 1.00 0.00 C ATOM 160 O ALA A 11 -20.387 -11.290 -9.070 1.00 0.00 O ATOM 161 CB ALA A 11 -18.380 -13.424 -9.955 1.00 0.00 C ATOM 0 H ALA A 11 -17.367 -12.188 -8.074 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.678 -11.607 -10.840 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.929 -13.742 -10.842 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.389 -13.879 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.920 -13.739 -9.062 1.00 0.00 H new ATOM 167 N LEU A 12 -19.919 -10.648 -11.175 1.00 0.00 N ATOM 168 CA LEU A 12 -21.201 -9.981 -11.374 1.00 0.00 C ATOM 169 C LEU A 12 -22.336 -10.997 -11.462 1.00 0.00 C ATOM 170 O LEU A 12 -23.195 -11.061 -10.582 1.00 0.00 O ATOM 171 CB LEU A 12 -21.164 -9.129 -12.644 1.00 0.00 C ATOM 172 CG LEU A 12 -20.216 -7.930 -12.620 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.136 -7.285 -13.995 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.665 -6.915 -11.579 1.00 0.00 C ATOM 0 H LEU A 12 -19.293 -10.607 -11.980 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.383 -9.334 -10.516 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -20.885 -9.771 -13.480 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.172 -8.766 -12.843 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.221 -8.284 -12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.457 -6.433 -13.958 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.767 -8.013 -14.717 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.127 -6.946 -14.296 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.978 -6.069 -11.576 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.669 -6.567 -11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.669 -7.382 -10.594 1.00 0.00 H new ATOM 186 N TYR A 13 -22.331 -11.790 -12.527 1.00 0.00 N ATOM 187 CA TYR A 13 -23.360 -12.803 -12.731 1.00 0.00 C ATOM 188 C TYR A 13 -22.765 -14.206 -12.655 1.00 0.00 C ATOM 189 O TYR A 13 -21.569 -14.373 -12.418 1.00 0.00 O ATOM 190 CB TYR A 13 -24.045 -12.600 -14.083 1.00 0.00 C ATOM 191 CG TYR A 13 -24.439 -11.165 -14.352 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.458 -10.556 -13.630 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.792 -10.418 -15.329 1.00 0.00 C ATOM 194 CE1 TYR A 13 -25.822 -9.246 -13.873 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.148 -9.107 -15.578 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.164 -8.525 -14.848 1.00 0.00 C ATOM 197 OH TYR A 13 -25.523 -7.220 -15.093 1.00 0.00 O ATOM 0 H TYR A 13 -21.626 -11.751 -13.263 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.100 -12.698 -11.938 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.376 -12.939 -14.874 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.935 -13.227 -14.128 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -25.975 -11.117 -12.865 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -22.997 -10.870 -15.903 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -26.617 -8.789 -13.303 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.634 -8.540 -16.340 1.00 0.00 H new ATOM 0 HH TYR A 13 -24.962 -6.855 -15.809 1.00 0.00 H new ATOM 207 N ASP A 14 -23.609 -15.211 -12.859 1.00 0.00 N ATOM 208 CA ASP A 14 -23.169 -16.600 -12.817 1.00 0.00 C ATOM 209 C ASP A 14 -22.662 -17.052 -14.183 1.00 0.00 C ATOM 210 O ASP A 14 -23.275 -16.762 -15.210 1.00 0.00 O ATOM 211 CB ASP A 14 -24.312 -17.506 -12.358 1.00 0.00 C ATOM 212 CG ASP A 14 -25.434 -17.583 -13.375 1.00 0.00 C ATOM 213 OD1 ASP A 14 -26.113 -16.557 -13.588 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.632 -18.669 -13.958 1.00 0.00 O ATOM 0 H ASP A 14 -24.603 -15.089 -13.055 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.349 -16.673 -12.103 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.925 -18.508 -12.172 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.708 -17.136 -11.412 1.00 0.00 H new ATOM 219 N TYR A 15 -21.539 -17.762 -14.186 1.00 0.00 N ATOM 220 CA TYR A 15 -20.948 -18.250 -15.426 1.00 0.00 C ATOM 221 C TYR A 15 -20.521 -19.709 -15.288 1.00 0.00 C ATOM 222 O TYR A 15 -20.464 -20.247 -14.183 1.00 0.00 O ATOM 223 CB TYR A 15 -19.745 -17.390 -15.816 1.00 0.00 C ATOM 224 CG TYR A 15 -19.385 -17.480 -17.282 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.243 -16.991 -18.259 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.188 -18.055 -17.689 1.00 0.00 C ATOM 227 CE1 TYR A 15 -19.919 -17.072 -19.600 1.00 0.00 C ATOM 228 CE2 TYR A 15 -17.854 -18.139 -19.028 1.00 0.00 C ATOM 229 CZ TYR A 15 -18.724 -17.647 -19.979 1.00 0.00 C ATOM 230 OH TYR A 15 -18.396 -17.728 -21.313 1.00 0.00 O ATOM 0 H TYR A 15 -21.020 -18.012 -13.344 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.703 -18.183 -16.209 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -19.956 -16.350 -15.566 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.884 -17.693 -15.220 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.179 -16.540 -17.966 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.506 -18.443 -16.947 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -20.598 -16.687 -20.347 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -16.918 -18.587 -19.328 1.00 0.00 H new ATOM 0 HH TYR A 15 -17.598 -17.186 -21.487 1.00 0.00 H new ATOM 240 N GLN A 16 -20.223 -20.340 -16.419 1.00 0.00 N ATOM 241 CA GLN A 16 -19.801 -21.736 -16.425 1.00 0.00 C ATOM 242 C GLN A 16 -18.560 -21.926 -17.290 1.00 0.00 C ATOM 243 O GLN A 16 -18.169 -21.029 -18.036 1.00 0.00 O ATOM 244 CB GLN A 16 -20.933 -22.630 -16.934 1.00 0.00 C ATOM 245 CG GLN A 16 -20.858 -24.059 -16.421 1.00 0.00 C ATOM 246 CD GLN A 16 -22.169 -24.804 -16.573 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.149 -24.262 -17.084 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.194 -26.056 -16.129 1.00 0.00 N ATOM 0 H GLN A 16 -20.266 -19.908 -17.342 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.555 -22.019 -15.402 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.888 -22.196 -16.638 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.913 -22.643 -18.024 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.076 -24.594 -16.960 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.570 -24.049 -15.370 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.358 -26.466 -15.712 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.049 -26.607 -16.205 1.00 0.00 H new ATOM 257 N GLU A 17 -17.944 -23.100 -17.184 1.00 0.00 N ATOM 258 CA GLU A 17 -16.746 -23.405 -17.956 1.00 0.00 C ATOM 259 C GLU A 17 -17.076 -23.551 -19.439 1.00 0.00 C ATOM 260 O GLU A 17 -17.229 -24.662 -19.947 1.00 0.00 O ATOM 261 CB GLU A 17 -16.093 -24.689 -17.440 1.00 0.00 C ATOM 262 CG GLU A 17 -16.023 -24.769 -15.924 1.00 0.00 C ATOM 263 CD GLU A 17 -14.748 -25.426 -15.433 1.00 0.00 C ATOM 264 OE1 GLU A 17 -14.191 -26.267 -16.168 1.00 0.00 O ATOM 265 OE2 GLU A 17 -14.306 -25.097 -14.311 1.00 0.00 O ATOM 0 H GLU A 17 -18.255 -23.854 -16.572 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.048 -22.577 -17.836 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.651 -25.547 -17.815 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.084 -24.762 -17.846 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.093 -23.764 -15.507 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.882 -25.329 -15.553 1.00 0.00 H new ATOM 272 N LYS A 18 -17.186 -22.420 -20.128 1.00 0.00 N ATOM 273 CA LYS A 18 -17.497 -22.419 -21.553 1.00 0.00 C ATOM 274 C LYS A 18 -16.310 -22.920 -22.369 1.00 0.00 C ATOM 275 O LYS A 18 -16.466 -23.332 -23.519 1.00 0.00 O ATOM 276 CB LYS A 18 -17.886 -21.011 -22.009 1.00 0.00 C ATOM 277 CG LYS A 18 -18.453 -20.963 -23.418 1.00 0.00 C ATOM 278 CD LYS A 18 -18.837 -19.548 -23.817 1.00 0.00 C ATOM 279 CE LYS A 18 -19.186 -19.461 -25.294 1.00 0.00 C ATOM 280 NZ LYS A 18 -20.275 -20.407 -25.664 1.00 0.00 N ATOM 0 H LYS A 18 -17.064 -21.492 -19.723 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.338 -23.093 -21.717 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.622 -20.604 -21.316 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.009 -20.366 -21.957 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.717 -21.353 -24.121 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.328 -21.610 -23.481 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.688 -19.219 -23.221 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.012 -18.870 -23.596 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -19.492 -18.443 -25.535 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.299 -19.677 -25.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.600 -20.202 -26.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.918 -21.383 -25.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.069 -20.298 -25.001 1.00 0.00 H new ATOM 294 N SER A 19 -15.126 -22.882 -21.768 1.00 0.00 N ATOM 295 CA SER A 19 -13.912 -23.331 -22.441 1.00 0.00 C ATOM 296 C SER A 19 -13.068 -24.202 -21.516 1.00 0.00 C ATOM 297 O SER A 19 -13.217 -24.180 -20.294 1.00 0.00 O ATOM 298 CB SER A 19 -13.093 -22.129 -22.916 1.00 0.00 C ATOM 299 OG SER A 19 -13.485 -21.727 -24.217 1.00 0.00 O ATOM 0 H SER A 19 -14.981 -22.545 -20.816 1.00 0.00 H new ATOM 0 HA SER A 19 -14.205 -23.927 -23.305 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.222 -21.299 -22.221 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.033 -22.384 -22.914 1.00 0.00 H new ATOM 0 HG SER A 19 -12.948 -20.956 -24.497 1.00 0.00 H new ATOM 305 N PRO A 20 -12.159 -24.988 -22.111 1.00 0.00 N ATOM 306 CA PRO A 20 -11.272 -25.882 -21.360 1.00 0.00 C ATOM 307 C PRO A 20 -10.227 -25.118 -20.553 1.00 0.00 C ATOM 308 O PRO A 20 -9.506 -25.701 -19.744 1.00 0.00 O ATOM 309 CB PRO A 20 -10.599 -26.715 -22.454 1.00 0.00 C ATOM 310 CG PRO A 20 -10.653 -25.857 -23.670 1.00 0.00 C ATOM 311 CD PRO A 20 -11.927 -25.065 -23.563 1.00 0.00 C ATOM 0 HA PRO A 20 -11.818 -26.477 -20.627 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.571 -26.961 -22.188 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.122 -27.658 -22.611 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.787 -25.197 -23.721 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.645 -26.463 -24.576 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.823 -24.075 -24.007 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.752 -25.559 -24.076 1.00 0.00 H new ATOM 319 N ARG A 21 -10.152 -23.810 -20.779 1.00 0.00 N ATOM 320 CA ARG A 21 -9.194 -22.967 -20.074 1.00 0.00 C ATOM 321 C ARG A 21 -9.902 -22.066 -19.067 1.00 0.00 C ATOM 322 O ARG A 21 -9.264 -21.462 -18.205 1.00 0.00 O ATOM 323 CB ARG A 21 -8.403 -22.116 -21.068 1.00 0.00 C ATOM 324 CG ARG A 21 -7.253 -22.860 -21.727 1.00 0.00 C ATOM 325 CD ARG A 21 -6.155 -21.907 -22.172 1.00 0.00 C ATOM 326 NE ARG A 21 -6.604 -21.011 -23.234 1.00 0.00 N ATOM 327 CZ ARG A 21 -5.779 -20.371 -24.055 1.00 0.00 C ATOM 328 NH1 ARG A 21 -4.467 -20.528 -23.936 1.00 0.00 N ATOM 329 NH2 ARG A 21 -6.264 -19.573 -24.997 1.00 0.00 N ATOM 0 H ARG A 21 -10.743 -23.312 -21.444 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.505 -23.616 -19.534 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.080 -21.752 -21.841 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.010 -21.241 -20.551 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.842 -23.589 -21.029 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.624 -23.417 -22.588 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.819 -21.318 -21.319 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.297 -22.481 -22.521 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.607 -20.869 -23.352 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.090 -21.141 -23.213 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.835 -20.036 -24.567 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.272 -19.450 -25.092 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.629 -19.082 -25.626 1.00 0.00 H new ATOM 343 N GLU A 22 -11.224 -21.981 -19.183 1.00 0.00 N ATOM 344 CA GLU A 22 -12.017 -21.152 -18.283 1.00 0.00 C ATOM 345 C GLU A 22 -12.612 -21.990 -17.155 1.00 0.00 C ATOM 346 O GLU A 22 -12.587 -23.220 -17.200 1.00 0.00 O ATOM 347 CB GLU A 22 -13.136 -20.448 -19.055 1.00 0.00 C ATOM 348 CG GLU A 22 -12.674 -19.206 -19.798 1.00 0.00 C ATOM 349 CD GLU A 22 -13.368 -19.035 -21.136 1.00 0.00 C ATOM 350 OE1 GLU A 22 -14.600 -19.230 -21.193 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.679 -18.707 -22.124 1.00 0.00 O ATOM 0 H GLU A 22 -11.767 -22.476 -19.890 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.358 -20.401 -17.847 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.570 -21.148 -19.769 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.928 -20.171 -18.359 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.861 -18.327 -19.181 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.597 -19.261 -19.956 1.00 0.00 H new ATOM 358 N VAL A 23 -13.147 -21.314 -16.142 1.00 0.00 N ATOM 359 CA VAL A 23 -13.749 -21.994 -15.002 1.00 0.00 C ATOM 360 C VAL A 23 -15.166 -21.494 -14.749 1.00 0.00 C ATOM 361 O VAL A 23 -15.644 -20.580 -15.423 1.00 0.00 O ATOM 362 CB VAL A 23 -12.911 -21.797 -13.725 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.701 -22.719 -13.732 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.484 -20.344 -13.587 1.00 0.00 C ATOM 0 H VAL A 23 -13.175 -20.296 -16.088 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.780 -23.056 -15.247 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.528 -22.054 -12.864 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.121 -22.565 -12.822 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.034 -23.756 -13.779 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.080 -22.497 -14.600 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.893 -20.223 -12.679 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.885 -20.057 -14.451 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.368 -19.709 -13.532 1.00 0.00 H new ATOM 374 N THR A 24 -15.836 -22.098 -13.772 1.00 0.00 N ATOM 375 CA THR A 24 -17.200 -21.715 -13.430 1.00 0.00 C ATOM 376 C THR A 24 -17.214 -20.641 -12.348 1.00 0.00 C ATOM 377 O THR A 24 -16.536 -20.766 -11.328 1.00 0.00 O ATOM 378 CB THR A 24 -18.019 -22.926 -12.946 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.945 -23.984 -13.909 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.473 -22.541 -12.721 1.00 0.00 C ATOM 0 H THR A 24 -15.456 -22.855 -13.204 1.00 0.00 H new ATOM 0 HA THR A 24 -17.654 -21.318 -14.338 1.00 0.00 H new ATOM 0 HB THR A 24 -17.598 -23.266 -12.000 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.467 -24.751 -13.593 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.032 -23.413 -12.380 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.529 -21.756 -11.967 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.902 -22.178 -13.655 1.00 0.00 H new ATOM 388 N MET A 25 -17.991 -19.588 -12.576 1.00 0.00 N ATOM 389 CA MET A 25 -18.095 -18.493 -11.618 1.00 0.00 C ATOM 390 C MET A 25 -19.516 -18.378 -11.075 1.00 0.00 C ATOM 391 O MET A 25 -20.464 -18.884 -11.676 1.00 0.00 O ATOM 392 CB MET A 25 -17.678 -17.174 -12.272 1.00 0.00 C ATOM 393 CG MET A 25 -16.224 -16.806 -12.023 1.00 0.00 C ATOM 394 SD MET A 25 -15.800 -15.177 -12.670 1.00 0.00 S ATOM 395 CE MET A 25 -15.112 -14.401 -11.209 1.00 0.00 C ATOM 0 H MET A 25 -18.558 -19.469 -13.416 1.00 0.00 H new ATOM 0 HA MET A 25 -17.424 -18.706 -10.786 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.849 -17.241 -13.346 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.316 -16.374 -11.897 1.00 0.00 H new ATOM 0 HG2 MET A 25 -16.025 -16.830 -10.952 1.00 0.00 H new ATOM 0 HG3 MET A 25 -15.580 -17.555 -12.484 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.512 -13.392 -11.110 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.378 -14.985 -10.328 1.00 0.00 H new ATOM 0 HE3 MET A 25 -14.027 -14.354 -11.299 1.00 0.00 H new ATOM 405 N LYS A 26 -19.656 -17.710 -9.935 1.00 0.00 N ATOM 406 CA LYS A 26 -20.961 -17.528 -9.311 1.00 0.00 C ATOM 407 C LYS A 26 -21.184 -16.067 -8.932 1.00 0.00 C ATOM 408 O LYS A 26 -20.314 -15.430 -8.337 1.00 0.00 O ATOM 409 CB LYS A 26 -21.084 -18.412 -8.068 1.00 0.00 C ATOM 410 CG LYS A 26 -22.510 -18.830 -7.757 1.00 0.00 C ATOM 411 CD LYS A 26 -22.553 -20.143 -6.994 1.00 0.00 C ATOM 412 CE LYS A 26 -23.874 -20.320 -6.262 1.00 0.00 C ATOM 413 NZ LYS A 26 -24.156 -21.752 -5.964 1.00 0.00 N ATOM 0 H LYS A 26 -18.882 -17.286 -9.424 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.724 -17.819 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.475 -19.305 -8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.676 -17.877 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.999 -18.052 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.072 -18.929 -8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.406 -20.972 -7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -21.732 -20.176 -6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -23.852 -19.753 -5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -24.682 -19.909 -6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.065 -21.830 -5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.202 -22.289 -6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -23.398 -22.138 -5.366 1.00 0.00 H new ATOM 427 N LYS A 27 -22.354 -15.542 -9.280 1.00 0.00 N ATOM 428 CA LYS A 27 -22.692 -14.157 -8.974 1.00 0.00 C ATOM 429 C LYS A 27 -22.504 -13.866 -7.489 1.00 0.00 C ATOM 430 O LYS A 27 -23.122 -14.505 -6.638 1.00 0.00 O ATOM 431 CB LYS A 27 -24.137 -13.861 -9.384 1.00 0.00 C ATOM 432 CG LYS A 27 -25.159 -14.742 -8.687 1.00 0.00 C ATOM 433 CD LYS A 27 -26.545 -14.567 -9.284 1.00 0.00 C ATOM 434 CE LYS A 27 -27.582 -15.392 -8.538 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.894 -14.814 -7.202 1.00 0.00 N ATOM 0 H LYS A 27 -23.084 -16.055 -9.774 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.020 -13.512 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.361 -12.817 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.234 -13.990 -10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.856 -15.786 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.186 -14.499 -7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.825 -13.514 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.530 -14.862 -10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.495 -15.450 -9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.216 -16.411 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.665 -15.355 -6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -27.049 -14.860 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -28.187 -13.822 -7.313 1.00 0.00 H new ATOM 449 N GLY A 28 -21.647 -12.896 -7.184 1.00 0.00 N ATOM 450 CA GLY A 28 -21.395 -12.537 -5.801 1.00 0.00 C ATOM 451 C GLY A 28 -20.251 -13.326 -5.196 1.00 0.00 C ATOM 452 O GLY A 28 -20.027 -13.281 -3.986 1.00 0.00 O ATOM 0 H GLY A 28 -21.123 -12.353 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.170 -11.472 -5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.298 -12.705 -5.215 1.00 0.00 H new ATOM 456 N ASP A 29 -19.525 -14.052 -6.040 1.00 0.00 N ATOM 457 CA ASP A 29 -18.397 -14.856 -5.582 1.00 0.00 C ATOM 458 C ASP A 29 -17.085 -14.094 -5.744 1.00 0.00 C ATOM 459 O ASP A 29 -16.783 -13.583 -6.823 1.00 0.00 O ATOM 460 CB ASP A 29 -18.335 -16.174 -6.355 1.00 0.00 C ATOM 461 CG ASP A 29 -17.564 -17.246 -5.611 1.00 0.00 C ATOM 462 OD1 ASP A 29 -17.245 -17.031 -4.423 1.00 0.00 O ATOM 463 OD2 ASP A 29 -17.281 -18.301 -6.217 1.00 0.00 O ATOM 0 H ASP A 29 -19.697 -14.100 -7.044 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.543 -15.072 -4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.348 -16.527 -6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.868 -16.001 -7.325 1.00 0.00 H new ATOM 468 N ILE A 30 -16.312 -14.021 -4.666 1.00 0.00 N ATOM 469 CA ILE A 30 -15.033 -13.322 -4.690 1.00 0.00 C ATOM 470 C ILE A 30 -13.909 -14.247 -5.142 1.00 0.00 C ATOM 471 O ILE A 30 -13.781 -15.371 -4.655 1.00 0.00 O ATOM 472 CB ILE A 30 -14.682 -12.744 -3.306 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.869 -11.962 -2.740 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.452 -11.854 -3.401 1.00 0.00 C ATOM 475 CD1 ILE A 30 -16.800 -12.805 -1.896 1.00 0.00 C ATOM 0 H ILE A 30 -16.549 -14.437 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.134 -12.503 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.459 -13.569 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.495 -11.134 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.433 -11.526 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.216 -11.453 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.608 -12.438 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.650 -11.032 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -17.618 -12.186 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -17.203 -13.618 -2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -16.250 -13.220 -1.051 1.00 0.00 H new ATOM 487 N LEU A 31 -13.094 -13.767 -6.075 1.00 0.00 N ATOM 488 CA LEU A 31 -11.977 -14.550 -6.592 1.00 0.00 C ATOM 489 C LEU A 31 -10.693 -13.728 -6.600 1.00 0.00 C ATOM 490 O LEU A 31 -10.717 -12.515 -6.388 1.00 0.00 O ATOM 491 CB LEU A 31 -12.288 -15.045 -8.006 1.00 0.00 C ATOM 492 CG LEU A 31 -13.232 -16.243 -8.106 1.00 0.00 C ATOM 493 CD1 LEU A 31 -14.645 -15.844 -7.711 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.213 -16.822 -9.513 1.00 0.00 C ATOM 0 H LEU A 31 -13.186 -12.839 -6.489 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.832 -15.408 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.720 -14.219 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.348 -15.307 -8.492 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.887 -17.011 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.303 -16.710 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.646 -15.478 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.001 -15.058 -8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.891 -17.674 -9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.532 -16.060 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.202 -17.147 -9.759 1.00 0.00 H new ATOM 506 N THR A 32 -9.570 -14.396 -6.847 1.00 0.00 N ATOM 507 CA THR A 32 -8.275 -13.727 -6.884 1.00 0.00 C ATOM 508 C THR A 32 -7.882 -13.367 -8.312 1.00 0.00 C ATOM 509 O THR A 32 -8.048 -14.169 -9.233 1.00 0.00 O ATOM 510 CB THR A 32 -7.172 -14.607 -6.266 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.688 -15.317 -5.135 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.981 -13.761 -5.840 1.00 0.00 C ATOM 0 H THR A 32 -9.531 -15.400 -7.024 1.00 0.00 H new ATOM 0 HA THR A 32 -8.374 -12.814 -6.297 1.00 0.00 H new ATOM 0 HB THR A 32 -6.840 -15.320 -7.021 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.981 -15.875 -4.749 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.215 -14.404 -5.406 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.572 -13.244 -6.708 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.302 -13.028 -5.099 1.00 0.00 H new ATOM 520 N LEU A 33 -7.361 -12.159 -8.490 1.00 0.00 N ATOM 521 CA LEU A 33 -6.943 -11.692 -9.808 1.00 0.00 C ATOM 522 C LEU A 33 -5.589 -12.282 -10.190 1.00 0.00 C ATOM 523 O LEU A 33 -4.650 -12.275 -9.393 1.00 0.00 O ATOM 524 CB LEU A 33 -6.872 -10.165 -9.831 1.00 0.00 C ATOM 525 CG LEU A 33 -7.135 -9.501 -11.183 1.00 0.00 C ATOM 526 CD1 LEU A 33 -6.070 -9.903 -12.192 1.00 0.00 C ATOM 527 CD2 LEU A 33 -8.521 -9.864 -11.695 1.00 0.00 C ATOM 0 H LEU A 33 -7.217 -11.484 -7.739 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.682 -12.026 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.593 -9.777 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.883 -9.862 -9.486 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.090 -8.420 -11.050 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.274 -9.421 -13.148 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.090 -9.592 -11.830 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.082 -10.985 -12.322 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.691 -9.383 -12.658 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.594 -10.945 -11.812 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.273 -9.525 -10.982 1.00 0.00 H new ATOM 539 N LEU A 34 -5.495 -12.790 -11.414 1.00 0.00 N ATOM 540 CA LEU A 34 -4.255 -13.382 -11.904 1.00 0.00 C ATOM 541 C LEU A 34 -3.785 -12.685 -13.176 1.00 0.00 C ATOM 542 O LEU A 34 -2.617 -12.320 -13.300 1.00 0.00 O ATOM 543 CB LEU A 34 -4.450 -14.876 -12.169 1.00 0.00 C ATOM 544 CG LEU A 34 -3.969 -15.821 -11.067 1.00 0.00 C ATOM 545 CD1 LEU A 34 -2.450 -15.889 -11.048 1.00 0.00 C ATOM 546 CD2 LEU A 34 -4.502 -15.377 -9.713 1.00 0.00 C ATOM 0 H LEU A 34 -6.263 -12.804 -12.085 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.491 -13.252 -11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.511 -15.059 -12.340 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.930 -15.132 -13.092 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.354 -16.819 -11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.126 -16.566 -10.258 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.090 -16.255 -12.010 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.044 -14.895 -10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.150 -16.061 -8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.147 -14.370 -9.495 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.592 -15.382 -9.732 1.00 0.00 H new ATOM 558 N ASN A 35 -4.703 -12.503 -14.119 1.00 0.00 N ATOM 559 CA ASN A 35 -4.383 -11.848 -15.382 1.00 0.00 C ATOM 560 C ASN A 35 -5.447 -10.817 -15.746 1.00 0.00 C ATOM 561 O ASN A 35 -6.640 -11.121 -15.764 1.00 0.00 O ATOM 562 CB ASN A 35 -4.258 -12.885 -16.501 1.00 0.00 C ATOM 563 CG ASN A 35 -3.401 -12.393 -17.651 1.00 0.00 C ATOM 564 OD1 ASN A 35 -3.983 -11.565 -18.511 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -2.229 -12.754 -17.766 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.675 -12.800 -14.033 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.429 -11.333 -15.264 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.828 -13.802 -16.097 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.251 -13.136 -16.873 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.822 -13.392 -17.082 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.665 -12.415 -18.546 1.00 0.00 H new ATOM 572 N SER A 36 -5.006 -9.597 -16.037 1.00 0.00 N ATOM 573 CA SER A 36 -5.921 -8.520 -16.397 1.00 0.00 C ATOM 574 C SER A 36 -5.458 -7.818 -17.671 1.00 0.00 C ATOM 575 O SER A 36 -5.767 -6.647 -17.896 1.00 0.00 O ATOM 576 CB SER A 36 -6.028 -7.509 -15.254 1.00 0.00 C ATOM 577 OG SER A 36 -4.780 -7.340 -14.604 1.00 0.00 O ATOM 0 H SER A 36 -4.022 -9.330 -16.030 1.00 0.00 H new ATOM 0 HA SER A 36 -6.903 -8.956 -16.579 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.372 -6.551 -15.643 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.774 -7.847 -14.534 1.00 0.00 H new ATOM 0 HG SER A 36 -4.875 -6.688 -13.879 1.00 0.00 H new ATOM 583 N THR A 37 -4.714 -8.542 -18.501 1.00 0.00 N ATOM 584 CA THR A 37 -4.207 -7.990 -19.751 1.00 0.00 C ATOM 585 C THR A 37 -5.152 -8.292 -20.909 1.00 0.00 C ATOM 586 O THR A 37 -4.714 -8.620 -22.010 1.00 0.00 O ATOM 587 CB THR A 37 -2.810 -8.548 -20.085 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.040 -8.688 -18.887 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.082 -7.633 -21.058 1.00 0.00 C ATOM 0 H THR A 37 -4.449 -9.512 -18.330 1.00 0.00 H new ATOM 0 HA THR A 37 -4.137 -6.911 -19.615 1.00 0.00 H new ATOM 0 HB THR A 37 -2.934 -9.525 -20.552 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.154 -9.045 -19.107 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.098 -8.047 -21.280 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.657 -7.551 -21.980 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.968 -6.645 -20.612 1.00 0.00 H new ATOM 597 N ASN A 38 -6.451 -8.177 -20.651 1.00 0.00 N ATOM 598 CA ASN A 38 -7.459 -8.437 -21.673 1.00 0.00 C ATOM 599 C ASN A 38 -8.843 -8.013 -21.193 1.00 0.00 C ATOM 600 O ASN A 38 -9.516 -8.750 -20.472 1.00 0.00 O ATOM 601 CB ASN A 38 -7.468 -9.922 -22.043 1.00 0.00 C ATOM 602 CG ASN A 38 -7.274 -10.148 -23.530 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.361 -10.861 -23.947 1.00 0.00 O ATOM 604 ND2 ASN A 38 -8.134 -9.540 -24.338 1.00 0.00 N ATOM 0 H ASN A 38 -6.830 -7.906 -19.744 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.205 -7.850 -22.556 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.678 -10.435 -21.494 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.413 -10.366 -21.731 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.053 -9.655 -25.348 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.876 -8.958 -23.949 1.00 0.00 H new ATOM 611 N LYS A 39 -9.263 -6.819 -21.597 1.00 0.00 N ATOM 612 CA LYS A 39 -10.568 -6.295 -21.210 1.00 0.00 C ATOM 613 C LYS A 39 -11.670 -7.307 -21.506 1.00 0.00 C ATOM 614 O LYS A 39 -12.703 -7.328 -20.836 1.00 0.00 O ATOM 615 CB LYS A 39 -10.853 -4.984 -21.947 1.00 0.00 C ATOM 616 CG LYS A 39 -10.660 -5.078 -23.451 1.00 0.00 C ATOM 617 CD LYS A 39 -9.327 -4.486 -23.880 1.00 0.00 C ATOM 618 CE LYS A 39 -9.401 -3.906 -25.284 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.069 -3.890 -25.948 1.00 0.00 N ATOM 0 H LYS A 39 -8.718 -6.195 -22.193 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.552 -6.105 -20.137 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.877 -4.675 -21.739 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.199 -4.206 -21.553 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.712 -6.122 -23.761 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.471 -4.554 -23.956 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.031 -3.706 -23.178 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.557 -5.256 -23.844 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.098 -4.492 -25.883 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.796 -2.891 -25.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.162 -3.488 -26.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.410 -3.310 -25.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.703 -4.861 -26.016 1.00 0.00 H new ATOM 633 N ASP A 40 -11.442 -8.145 -22.511 1.00 0.00 N ATOM 634 CA ASP A 40 -12.415 -9.162 -22.893 1.00 0.00 C ATOM 635 C ASP A 40 -12.566 -10.210 -21.795 1.00 0.00 C ATOM 636 O ASP A 40 -13.612 -10.304 -21.153 1.00 0.00 O ATOM 637 CB ASP A 40 -11.996 -9.833 -24.202 1.00 0.00 C ATOM 638 CG ASP A 40 -11.817 -8.838 -25.332 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.415 -7.744 -25.259 1.00 0.00 O ATOM 640 OD2 ASP A 40 -11.080 -9.153 -26.289 1.00 0.00 O ATOM 0 H ASP A 40 -10.593 -8.140 -23.076 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.378 -8.672 -23.037 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.062 -10.374 -24.047 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.748 -10.569 -24.486 1.00 0.00 H new ATOM 645 N TRP A 41 -11.516 -10.996 -21.587 1.00 0.00 N ATOM 646 CA TRP A 41 -11.532 -12.039 -20.567 1.00 0.00 C ATOM 647 C TRP A 41 -10.426 -11.815 -19.542 1.00 0.00 C ATOM 648 O TRP A 41 -9.369 -11.272 -19.864 1.00 0.00 O ATOM 649 CB TRP A 41 -11.373 -13.416 -21.214 1.00 0.00 C ATOM 650 CG TRP A 41 -12.333 -13.658 -22.339 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.258 -13.148 -23.604 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.513 -14.469 -22.300 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.320 -13.593 -24.354 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.104 -14.405 -23.577 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.126 -15.243 -21.312 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.278 -15.087 -23.888 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.291 -15.918 -21.622 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.857 -15.837 -22.901 1.00 0.00 C ATOM 0 H TRP A 41 -10.643 -10.931 -22.111 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.492 -11.995 -20.053 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.354 -13.519 -21.587 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.513 -14.185 -20.454 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.479 -12.492 -23.962 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.496 -13.357 -25.331 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.697 -15.313 -20.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.716 -15.026 -24.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.774 -16.519 -20.865 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.768 -16.377 -23.112 1.00 0.00 H new ATOM 669 N TRP A 42 -10.676 -12.235 -18.307 1.00 0.00 N ATOM 670 CA TRP A 42 -9.700 -12.079 -17.235 1.00 0.00 C ATOM 671 C TRP A 42 -9.419 -13.416 -16.557 1.00 0.00 C ATOM 672 O TRP A 42 -10.299 -14.270 -16.456 1.00 0.00 O ATOM 673 CB TRP A 42 -10.201 -11.066 -16.204 1.00 0.00 C ATOM 674 CG TRP A 42 -10.083 -9.644 -16.662 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.254 -9.163 -17.635 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.816 -8.520 -16.165 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.427 -7.807 -17.772 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.381 -7.388 -16.883 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.799 -8.359 -15.185 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -10.895 -6.116 -16.649 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.308 -7.095 -14.954 1.00 0.00 C ATOM 682 CH2 TRP A 42 -11.856 -5.987 -15.683 1.00 0.00 C ATOM 0 H TRP A 42 -11.546 -12.686 -18.023 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.772 -11.712 -17.673 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.244 -11.280 -15.972 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.637 -11.190 -15.279 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.564 -9.761 -18.212 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.926 -7.209 -18.429 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.155 -9.207 -14.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.548 -5.261 -17.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.067 -6.959 -14.198 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.274 -5.012 -15.479 1.00 0.00 H new ATOM 693 N LYS A 43 -8.186 -13.591 -16.093 1.00 0.00 N ATOM 694 CA LYS A 43 -7.788 -14.823 -15.423 1.00 0.00 C ATOM 695 C LYS A 43 -7.896 -14.678 -13.908 1.00 0.00 C ATOM 696 O LYS A 43 -7.204 -13.860 -13.302 1.00 0.00 O ATOM 697 CB LYS A 43 -6.355 -15.198 -15.809 1.00 0.00 C ATOM 698 CG LYS A 43 -6.070 -16.687 -15.714 1.00 0.00 C ATOM 699 CD LYS A 43 -4.670 -17.019 -16.203 1.00 0.00 C ATOM 700 CE LYS A 43 -3.648 -16.914 -15.081 1.00 0.00 C ATOM 701 NZ LYS A 43 -2.361 -17.571 -15.441 1.00 0.00 N ATOM 0 H LYS A 43 -7.445 -12.894 -16.169 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.464 -15.616 -15.744 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.163 -14.864 -16.829 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.661 -14.662 -15.162 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.183 -17.015 -14.681 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.803 -17.237 -16.305 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.657 -18.028 -16.615 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.395 -16.341 -17.011 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.468 -15.864 -14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.051 -17.374 -14.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.691 -17.478 -14.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.528 -18.579 -15.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.964 -17.116 -16.287 1.00 0.00 H new ATOM 715 N VAL A 44 -8.767 -15.479 -13.302 1.00 0.00 N ATOM 716 CA VAL A 44 -8.964 -15.441 -11.858 1.00 0.00 C ATOM 717 C VAL A 44 -8.536 -16.753 -11.211 1.00 0.00 C ATOM 718 O VAL A 44 -8.190 -17.712 -11.900 1.00 0.00 O ATOM 719 CB VAL A 44 -10.435 -15.160 -11.499 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.866 -13.803 -12.035 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.334 -16.264 -12.035 1.00 0.00 C ATOM 0 H VAL A 44 -9.347 -16.162 -13.789 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.344 -14.631 -11.475 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.529 -15.141 -10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.908 -13.622 -11.772 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.241 -13.024 -11.598 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.758 -13.789 -13.120 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.370 -16.049 -11.772 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.238 -16.317 -13.119 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.039 -17.218 -11.598 1.00 0.00 H new ATOM 731 N GLU A 45 -8.562 -16.787 -9.882 1.00 0.00 N ATOM 732 CA GLU A 45 -8.176 -17.983 -9.142 1.00 0.00 C ATOM 733 C GLU A 45 -9.171 -18.274 -8.022 1.00 0.00 C ATOM 734 O GLU A 45 -9.582 -17.373 -7.291 1.00 0.00 O ATOM 735 CB GLU A 45 -6.771 -17.818 -8.560 1.00 0.00 C ATOM 736 CG GLU A 45 -6.118 -19.132 -8.165 1.00 0.00 C ATOM 737 CD GLU A 45 -4.754 -18.938 -7.530 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.678 -18.261 -6.484 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.763 -19.462 -8.080 1.00 0.00 O ATOM 0 H GLU A 45 -8.846 -16.001 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.178 -18.825 -9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.140 -17.314 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.823 -17.170 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.767 -19.661 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.017 -19.763 -9.048 1.00 0.00 H new ATOM 746 N VAL A 46 -9.555 -19.540 -7.894 1.00 0.00 N ATOM 747 CA VAL A 46 -10.501 -19.952 -6.863 1.00 0.00 C ATOM 748 C VAL A 46 -9.848 -20.903 -5.866 1.00 0.00 C ATOM 749 O VAL A 46 -8.706 -21.323 -6.049 1.00 0.00 O ATOM 750 CB VAL A 46 -11.736 -20.638 -7.477 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.389 -19.735 -8.513 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.353 -21.976 -8.089 1.00 0.00 C ATOM 0 H VAL A 46 -9.226 -20.298 -8.491 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.817 -19.047 -6.344 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.460 -20.822 -6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.260 -20.236 -8.936 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.701 -18.804 -8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.675 -19.517 -9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.238 -22.446 -8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.610 -21.819 -8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.936 -22.623 -7.317 1.00 0.00 H new ATOM 762 N LYS A 47 -10.581 -21.239 -4.810 1.00 0.00 N ATOM 763 CA LYS A 47 -10.076 -22.142 -3.783 1.00 0.00 C ATOM 764 C LYS A 47 -10.852 -23.455 -3.784 1.00 0.00 C ATOM 765 O LYS A 47 -12.065 -23.470 -3.991 1.00 0.00 O ATOM 766 CB LYS A 47 -10.168 -21.483 -2.405 1.00 0.00 C ATOM 767 CG LYS A 47 -8.964 -20.625 -2.059 1.00 0.00 C ATOM 768 CD LYS A 47 -9.319 -19.545 -1.051 1.00 0.00 C ATOM 769 CE LYS A 47 -9.400 -20.106 0.361 1.00 0.00 C ATOM 770 NZ LYS A 47 -8.053 -20.416 0.913 1.00 0.00 N ATOM 0 H LYS A 47 -11.528 -20.899 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.031 -22.358 -4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.066 -20.867 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.280 -22.259 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.172 -21.255 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.573 -20.163 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.571 -18.753 -1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.274 -19.094 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.901 -19.387 1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.008 -21.011 0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.125 -20.567 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.682 -21.277 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.409 -19.621 0.724 1.00 0.00 H new ATOM 784 N ALA A 48 -10.144 -24.555 -3.549 1.00 0.00 N ATOM 785 CA ALA A 48 -10.768 -25.873 -3.519 1.00 0.00 C ATOM 786 C ALA A 48 -10.912 -26.379 -2.088 1.00 0.00 C ATOM 787 O ALA A 48 -10.447 -25.742 -1.142 1.00 0.00 O ATOM 788 CB ALA A 48 -9.960 -26.858 -4.351 1.00 0.00 C ATOM 0 H ALA A 48 -9.139 -24.560 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.766 -25.786 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.437 -27.838 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.913 -26.510 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.950 -26.933 -3.947 1.00 0.00 H new ATOM 794 N THR A 49 -11.561 -27.529 -1.935 1.00 0.00 N ATOM 795 CA THR A 49 -11.769 -28.120 -0.619 1.00 0.00 C ATOM 796 C THR A 49 -11.759 -29.643 -0.692 1.00 0.00 C ATOM 797 O THR A 49 -12.437 -30.238 -1.528 1.00 0.00 O ATOM 798 CB THR A 49 -13.100 -27.656 0.002 1.00 0.00 C ATOM 799 OG1 THR A 49 -13.187 -26.227 -0.035 1.00 0.00 O ATOM 800 CG2 THR A 49 -13.225 -28.140 1.439 1.00 0.00 C ATOM 0 H THR A 49 -11.952 -28.070 -2.707 1.00 0.00 H new ATOM 0 HA THR A 49 -10.946 -27.784 0.011 1.00 0.00 H new ATOM 0 HB THR A 49 -13.916 -28.084 -0.581 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.037 -25.941 0.360 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.173 -27.800 1.856 1.00 0.00 H new ATOM 0 HG22 THR A 49 -13.189 -29.229 1.461 1.00 0.00 H new ATOM 0 HG23 THR A 49 -12.403 -27.738 2.031 1.00 0.00 H new ATOM 808 N ALA A 50 -10.985 -30.268 0.190 1.00 0.00 N ATOM 809 CA ALA A 50 -10.889 -31.721 0.227 1.00 0.00 C ATOM 810 C ALA A 50 -10.032 -32.186 1.399 1.00 0.00 C ATOM 811 O ALA A 50 -8.977 -31.615 1.673 1.00 0.00 O ATOM 812 CB ALA A 50 -10.323 -32.246 -1.084 1.00 0.00 C ATOM 0 H ALA A 50 -10.416 -29.790 0.888 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.893 -32.123 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.257 -33.333 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.977 -31.954 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.329 -31.828 -1.245 1.00 0.00 H new ATOM 818 N ASN A 51 -10.493 -33.225 2.088 1.00 0.00 N ATOM 819 CA ASN A 51 -9.768 -33.764 3.233 1.00 0.00 C ATOM 820 C ASN A 51 -9.444 -32.665 4.240 1.00 0.00 C ATOM 821 O ASN A 51 -8.331 -32.593 4.760 1.00 0.00 O ATOM 822 CB ASN A 51 -8.477 -34.444 2.771 1.00 0.00 C ATOM 823 CG ASN A 51 -8.708 -35.397 1.615 1.00 0.00 C ATOM 824 OD1 ASN A 51 -8.971 -36.583 1.816 1.00 0.00 O ATOM 825 ND2 ASN A 51 -8.609 -34.882 0.395 1.00 0.00 N ATOM 0 H ASN A 51 -11.364 -33.710 1.874 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.406 -34.501 3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.756 -33.683 2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.038 -34.990 3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.753 -35.475 -0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.389 -33.893 0.275 1.00 0.00 H new ATOM 832 N ASP A 52 -10.426 -31.811 4.511 1.00 0.00 N ATOM 833 CA ASP A 52 -10.247 -30.716 5.457 1.00 0.00 C ATOM 834 C ASP A 52 -9.087 -29.819 5.037 1.00 0.00 C ATOM 835 O ASP A 52 -8.463 -29.161 5.870 1.00 0.00 O ATOM 836 CB ASP A 52 -10.000 -31.264 6.864 1.00 0.00 C ATOM 837 CG ASP A 52 -10.383 -30.274 7.946 1.00 0.00 C ATOM 838 OD1 ASP A 52 -11.478 -29.683 7.848 1.00 0.00 O ATOM 839 OD2 ASP A 52 -9.586 -30.089 8.890 1.00 0.00 O ATOM 0 H ASP A 52 -11.353 -31.856 4.089 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.160 -30.121 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.570 -32.183 6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.947 -31.524 6.970 1.00 0.00 H new ATOM 844 N LYS A 53 -8.803 -29.797 3.739 1.00 0.00 N ATOM 845 CA LYS A 53 -7.719 -28.981 3.206 1.00 0.00 C ATOM 846 C LYS A 53 -8.215 -28.090 2.072 1.00 0.00 C ATOM 847 O LYS A 53 -9.161 -28.437 1.363 1.00 0.00 O ATOM 848 CB LYS A 53 -6.579 -29.872 2.708 1.00 0.00 C ATOM 849 CG LYS A 53 -5.219 -29.196 2.739 1.00 0.00 C ATOM 850 CD LYS A 53 -4.090 -30.212 2.689 1.00 0.00 C ATOM 851 CE LYS A 53 -2.833 -29.681 3.361 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.209 -28.578 2.579 1.00 0.00 N ATOM 0 H LYS A 53 -9.309 -30.336 3.036 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.349 -28.344 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.541 -30.774 3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.795 -30.187 1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.132 -28.512 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.130 -28.596 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.405 -31.133 3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.871 -30.463 1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.079 -29.323 4.361 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.115 -30.492 3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.355 -28.244 3.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.950 -28.926 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.885 -27.793 2.486 1.00 0.00 H new ATOM 866 N THR A 54 -7.570 -26.940 1.903 1.00 0.00 N ATOM 867 CA THR A 54 -7.945 -26.000 0.854 1.00 0.00 C ATOM 868 C THR A 54 -6.844 -25.874 -0.192 1.00 0.00 C ATOM 869 O THR A 54 -5.663 -25.786 0.144 1.00 0.00 O ATOM 870 CB THR A 54 -8.250 -24.605 1.433 1.00 0.00 C ATOM 871 OG1 THR A 54 -8.996 -24.731 2.649 1.00 0.00 O ATOM 872 CG2 THR A 54 -9.033 -23.764 0.436 1.00 0.00 C ATOM 0 H THR A 54 -6.785 -26.637 2.480 1.00 0.00 H new ATOM 0 HA THR A 54 -8.845 -26.395 0.383 1.00 0.00 H new ATOM 0 HB THR A 54 -7.303 -24.107 1.639 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.184 -23.840 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.236 -22.784 0.867 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.449 -23.645 -0.477 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.975 -24.260 0.202 1.00 0.00 H new ATOM 880 N TYR A 55 -7.238 -25.865 -1.460 1.00 0.00 N ATOM 881 CA TYR A 55 -6.283 -25.752 -2.556 1.00 0.00 C ATOM 882 C TYR A 55 -6.496 -24.456 -3.333 1.00 0.00 C ATOM 883 O TYR A 55 -7.388 -23.670 -3.016 1.00 0.00 O ATOM 884 CB TYR A 55 -6.410 -26.951 -3.498 1.00 0.00 C ATOM 885 CG TYR A 55 -6.199 -28.283 -2.814 1.00 0.00 C ATOM 886 CD1 TYR A 55 -7.220 -28.883 -2.088 1.00 0.00 C ATOM 887 CD2 TYR A 55 -4.978 -28.942 -2.895 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.031 -30.099 -1.461 1.00 0.00 C ATOM 889 CE2 TYR A 55 -4.781 -30.159 -2.273 1.00 0.00 C ATOM 890 CZ TYR A 55 -5.810 -30.734 -1.556 1.00 0.00 C ATOM 891 OH TYR A 55 -5.619 -31.946 -0.935 1.00 0.00 O ATOM 0 H TYR A 55 -8.212 -25.935 -1.755 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.280 -25.738 -2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.399 -26.940 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.684 -26.847 -4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.178 -28.390 -2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.169 -28.495 -3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.835 -30.551 -0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.826 -30.658 -2.347 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.705 -32.258 -1.101 1.00 0.00 H new ATOM 901 N GLU A 56 -5.670 -24.242 -4.352 1.00 0.00 N ATOM 902 CA GLU A 56 -5.767 -23.042 -5.175 1.00 0.00 C ATOM 903 C GLU A 56 -5.671 -23.389 -6.658 1.00 0.00 C ATOM 904 O GLU A 56 -4.666 -23.936 -7.114 1.00 0.00 O ATOM 905 CB GLU A 56 -4.666 -22.049 -4.799 1.00 0.00 C ATOM 906 CG GLU A 56 -5.064 -21.089 -3.691 1.00 0.00 C ATOM 907 CD GLU A 56 -4.009 -20.031 -3.429 1.00 0.00 C ATOM 908 OE1 GLU A 56 -2.807 -20.360 -3.501 1.00 0.00 O ATOM 909 OE2 GLU A 56 -4.387 -18.873 -3.152 1.00 0.00 O ATOM 0 H GLU A 56 -4.926 -24.884 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.738 -22.583 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.780 -22.603 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.389 -21.475 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.003 -20.603 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.244 -21.652 -2.775 1.00 0.00 H new ATOM 916 N ARG A 57 -6.722 -23.069 -7.404 1.00 0.00 N ATOM 917 CA ARG A 57 -6.758 -23.348 -8.835 1.00 0.00 C ATOM 918 C ARG A 57 -7.061 -22.081 -9.629 1.00 0.00 C ATOM 919 O ARG A 57 -7.833 -21.230 -9.186 1.00 0.00 O ATOM 920 CB ARG A 57 -7.807 -24.418 -9.141 1.00 0.00 C ATOM 921 CG ARG A 57 -8.012 -24.662 -10.628 1.00 0.00 C ATOM 922 CD ARG A 57 -9.019 -25.774 -10.876 1.00 0.00 C ATOM 923 NE ARG A 57 -10.311 -25.490 -10.259 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.260 -26.403 -10.086 1.00 0.00 C ATOM 925 NH1 ARG A 57 -11.062 -27.653 -10.482 1.00 0.00 N ATOM 926 NH2 ARG A 57 -12.411 -26.067 -9.517 1.00 0.00 N ATOM 0 H ARG A 57 -7.561 -22.616 -7.042 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.776 -23.716 -9.133 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.510 -25.353 -8.666 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.757 -24.122 -8.696 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.357 -23.744 -11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.060 -24.922 -11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.152 -25.910 -11.949 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.628 -26.712 -10.482 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.495 -24.538 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.179 -27.915 -10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.792 -28.352 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.568 -25.106 -9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.139 -26.769 -9.385 1.00 0.00 H new ATOM 940 N GLN A 58 -6.448 -21.963 -10.802 1.00 0.00 N ATOM 941 CA GLN A 58 -6.652 -20.799 -11.656 1.00 0.00 C ATOM 942 C GLN A 58 -7.575 -21.135 -12.823 1.00 0.00 C ATOM 943 O GLN A 58 -7.711 -22.296 -13.205 1.00 0.00 O ATOM 944 CB GLN A 58 -5.311 -20.285 -12.183 1.00 0.00 C ATOM 945 CG GLN A 58 -4.434 -21.375 -12.780 1.00 0.00 C ATOM 946 CD GLN A 58 -3.563 -22.056 -11.742 1.00 0.00 C ATOM 947 OE1 GLN A 58 -3.798 -23.208 -11.377 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.549 -21.346 -11.261 1.00 0.00 N ATOM 0 H GLN A 58 -5.806 -22.659 -11.183 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.122 -20.019 -11.057 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.496 -19.523 -12.940 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.771 -19.801 -11.369 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.066 -22.120 -13.264 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.800 -20.943 -13.554 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.391 -20.394 -11.592 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.929 -21.753 -10.561 1.00 0.00 H new ATOM 957 N GLY A 59 -8.208 -20.110 -13.385 1.00 0.00 N ATOM 958 CA GLY A 59 -9.111 -20.317 -14.502 1.00 0.00 C ATOM 959 C GLY A 59 -9.521 -19.018 -15.165 1.00 0.00 C ATOM 960 O GLY A 59 -9.641 -17.986 -14.504 1.00 0.00 O ATOM 0 H GLY A 59 -8.112 -19.139 -13.087 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.631 -20.961 -15.239 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.001 -20.840 -14.153 1.00 0.00 H new ATOM 964 N PHE A 60 -9.736 -19.066 -16.476 1.00 0.00 N ATOM 965 CA PHE A 60 -10.132 -17.883 -17.230 1.00 0.00 C ATOM 966 C PHE A 60 -11.637 -17.652 -17.128 1.00 0.00 C ATOM 967 O PHE A 60 -12.410 -18.593 -16.949 1.00 0.00 O ATOM 968 CB PHE A 60 -9.725 -18.027 -18.697 1.00 0.00 C ATOM 969 CG PHE A 60 -8.322 -17.568 -18.978 1.00 0.00 C ATOM 970 CD1 PHE A 60 -8.042 -16.223 -19.158 1.00 0.00 C ATOM 971 CD2 PHE A 60 -7.284 -18.482 -19.061 1.00 0.00 C ATOM 972 CE1 PHE A 60 -6.752 -15.799 -19.417 1.00 0.00 C ATOM 973 CE2 PHE A 60 -5.992 -18.064 -19.320 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.726 -16.720 -19.497 1.00 0.00 C ATOM 0 H PHE A 60 -9.642 -19.912 -17.038 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.620 -17.021 -16.801 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.823 -19.072 -18.992 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.417 -17.455 -19.315 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.840 -15.498 -19.095 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.487 -19.534 -18.922 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.547 -14.748 -19.557 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -5.192 -18.787 -19.384 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.717 -16.390 -19.698 1.00 0.00 H new ATOM 984 N VAL A 61 -12.046 -16.392 -17.244 1.00 0.00 N ATOM 985 CA VAL A 61 -13.458 -16.037 -17.166 1.00 0.00 C ATOM 986 C VAL A 61 -13.736 -14.729 -17.898 1.00 0.00 C ATOM 987 O VAL A 61 -12.851 -13.895 -18.089 1.00 0.00 O ATOM 988 CB VAL A 61 -13.923 -15.903 -15.704 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.183 -17.274 -15.098 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.894 -15.136 -14.886 1.00 0.00 C ATOM 0 H VAL A 61 -11.420 -15.601 -17.392 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.014 -16.843 -17.644 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.858 -15.342 -15.688 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.511 -17.159 -14.065 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.958 -17.784 -15.670 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.266 -17.863 -15.124 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.239 -15.051 -13.855 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.943 -15.667 -14.908 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.763 -14.140 -15.308 1.00 0.00 H new ATOM 1000 N PRO A 62 -14.996 -14.542 -18.318 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.421 -13.337 -19.035 1.00 0.00 C ATOM 1002 C PRO A 62 -15.434 -12.103 -18.139 1.00 0.00 C ATOM 1003 O PRO A 62 -16.081 -12.092 -17.092 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.841 -13.679 -19.494 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.318 -14.701 -18.520 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.103 -15.494 -18.125 1.00 0.00 C ATOM 0 HA PRO A 62 -14.743 -13.088 -19.851 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.482 -12.797 -19.489 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.845 -14.070 -20.512 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.775 -14.228 -17.651 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.075 -15.344 -18.968 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.164 -15.835 -17.091 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.983 -16.381 -18.747 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.716 -11.066 -18.558 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.646 -9.827 -17.794 1.00 0.00 C ATOM 1016 C ALA A 63 -16.018 -9.168 -17.691 1.00 0.00 C ATOM 1017 O ALA A 63 -16.235 -8.291 -16.855 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.645 -8.872 -18.427 1.00 0.00 C ATOM 0 H ALA A 63 -14.175 -11.060 -19.422 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.311 -10.069 -16.785 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.603 -7.951 -17.846 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.659 -9.336 -18.443 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.955 -8.644 -19.447 1.00 0.00 H new ATOM 1024 N ALA A 64 -16.940 -9.595 -18.548 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.290 -9.046 -18.553 1.00 0.00 C ATOM 1026 C ALA A 64 -19.122 -9.626 -17.414 1.00 0.00 C ATOM 1027 O ALA A 64 -20.262 -9.217 -17.195 1.00 0.00 O ATOM 1028 CB ALA A 64 -18.964 -9.314 -19.891 1.00 0.00 C ATOM 0 H ALA A 64 -16.776 -10.319 -19.247 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.218 -7.969 -18.404 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.972 -8.898 -19.881 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.387 -8.847 -20.689 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.017 -10.389 -20.063 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.545 -10.581 -16.693 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.235 -11.219 -15.578 1.00 0.00 C ATOM 1036 C TYR A 65 -18.443 -11.058 -14.284 1.00 0.00 C ATOM 1037 O TYR A 65 -18.526 -11.894 -13.384 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.458 -12.704 -15.872 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.470 -12.959 -16.965 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.229 -12.552 -18.271 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.668 -13.609 -16.692 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -21.152 -12.783 -19.273 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.596 -13.845 -17.688 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.333 -13.430 -18.976 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.254 -13.663 -19.972 1.00 0.00 O ATOM 0 H TYR A 65 -17.601 -10.930 -16.861 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.202 -10.731 -15.454 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.508 -13.156 -16.156 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.788 -13.201 -14.960 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.304 -12.046 -18.507 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.877 -13.935 -15.684 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -20.950 -12.459 -20.283 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.522 -14.352 -17.459 1.00 0.00 H new ATOM 0 HH TYR A 65 -24.030 -14.129 -19.597 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.676 -9.976 -14.197 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.870 -9.703 -13.013 1.00 0.00 C ATOM 1057 C VAL A 66 -16.714 -8.203 -12.790 1.00 0.00 C ATOM 1058 O VAL A 66 -16.977 -7.400 -13.684 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.474 -10.343 -13.125 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.590 -11.846 -13.329 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.683 -9.702 -14.256 1.00 0.00 C ATOM 0 H VAL A 66 -17.596 -9.274 -14.933 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.395 -10.141 -12.164 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.937 -10.168 -12.193 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.593 -12.281 -13.406 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.115 -12.289 -12.482 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.145 -12.047 -14.245 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.699 -10.166 -14.321 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.214 -9.844 -15.197 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.569 -8.636 -14.061 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.282 -7.832 -11.589 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.088 -6.428 -11.246 1.00 0.00 C ATOM 1073 C LYS A 67 -15.174 -6.286 -10.033 1.00 0.00 C ATOM 1074 O LYS A 67 -15.528 -6.691 -8.925 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.435 -5.759 -10.964 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.325 -4.276 -10.652 1.00 0.00 C ATOM 1077 CD LYS A 67 -17.457 -3.431 -11.908 1.00 0.00 C ATOM 1078 CE LYS A 67 -16.096 -3.087 -12.494 1.00 0.00 C ATOM 1079 NZ LYS A 67 -16.164 -2.873 -13.966 1.00 0.00 N ATOM 0 H LYS A 67 -16.060 -8.484 -10.837 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.615 -5.934 -12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.085 -5.892 -11.828 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -17.913 -6.264 -10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.101 -3.995 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.366 -4.074 -10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -18.048 -3.969 -12.649 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.997 -2.513 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.711 -2.188 -12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.393 -3.891 -12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.217 -2.641 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.508 -3.739 -14.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.815 -2.089 -14.173 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.998 -5.707 -10.248 1.00 0.00 N ATOM 1094 CA LYS A 68 -13.034 -5.508 -9.173 1.00 0.00 C ATOM 1095 C LYS A 68 -13.675 -4.781 -7.995 1.00 0.00 C ATOM 1096 O LYS A 68 -14.555 -3.938 -8.177 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.828 -4.714 -9.681 1.00 0.00 C ATOM 1098 CG LYS A 68 -10.801 -4.412 -8.604 1.00 0.00 C ATOM 1099 CD LYS A 68 -10.992 -3.020 -8.026 1.00 0.00 C ATOM 1100 CE LYS A 68 -10.193 -1.981 -8.798 1.00 0.00 C ATOM 1101 NZ LYS A 68 -10.914 -1.521 -10.017 1.00 0.00 N ATOM 0 H LYS A 68 -13.689 -5.367 -11.159 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.699 -6.488 -8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.347 -5.274 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.177 -3.776 -10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.880 -5.152 -7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.798 -4.499 -9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.050 -2.758 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.684 -3.014 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.989 -1.127 -8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.229 -2.402 -9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.516 -0.614 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.807 -2.229 -10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.923 -1.398 -9.798 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.228 -5.110 -6.788 1.00 0.00 N ATOM 1116 CA LEU A 69 -13.757 -4.487 -5.580 1.00 0.00 C ATOM 1117 C LEU A 69 -12.785 -3.445 -5.034 1.00 0.00 C ATOM 1118 O LEU A 69 -13.078 -2.249 -5.033 1.00 0.00 O ATOM 1119 CB LEU A 69 -14.035 -5.549 -4.515 1.00 0.00 C ATOM 1120 CG LEU A 69 -15.003 -6.663 -4.915 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -15.107 -7.702 -3.809 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -16.374 -6.087 -5.239 1.00 0.00 C ATOM 0 H LEU A 69 -12.500 -5.805 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.690 -3.986 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.087 -6.004 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.431 -5.052 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.616 -7.152 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.800 -8.487 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.125 -8.137 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.471 -7.228 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.050 -6.894 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.769 -5.573 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.286 -5.381 -6.065 1.00 0.00 H new ATOM 1134 N ASP A 70 -11.628 -3.907 -4.574 1.00 0.00 N ATOM 1135 CA ASP A 70 -10.611 -3.016 -4.028 1.00 0.00 C ATOM 1136 C ASP A 70 -9.297 -3.160 -4.789 1.00 0.00 C ATOM 1137 O ASP A 70 -8.667 -4.218 -4.764 1.00 0.00 O ATOM 1138 CB ASP A 70 -10.390 -3.308 -2.543 1.00 0.00 C ATOM 1139 CG ASP A 70 -11.313 -2.502 -1.651 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -12.529 -2.467 -1.933 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -10.819 -1.906 -0.670 1.00 0.00 O ATOM 0 H ASP A 70 -11.371 -4.894 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.964 -1.991 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.547 -4.371 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.355 -3.088 -2.283 1.00 0.00 H new TER 1146 ASP A 70