USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 ASN : amide:sc= -0.0038 K(o=-0.33,f=-1.3) USER MOD Set 1.2: A 102 SER OG : rot 39:sc= -0.33! USER MOD Set 2.1: A 60 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 61 SER OG : rot 103:sc= 0.143! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0021 X(o=-0.0021,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.38! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.019) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -12.3! C(o=-14!,f=-12!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.25 F(o=-0.91,f=-0.25) USER MOD Single : A 45 CYS SG : rot 23:sc= 0.896 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.299 F(o=-1,f=-0.3) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.24 F(o=-1.7,f=-0.24) USER MOD Single : A 52 HIS :FLIP no HE2:sc= 0.0814 F(o=-0.6,f=0.081) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.005) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 100:sc= -2.94 USER MOD Single : A 74 HIS : no HD1:sc= -20.8! C(o=-21!,f=-23!) USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= -0.0365 (180deg=-0.744) USER MOD Single : A 79 ASN : amide:sc= -2.45! C(o=-2.4!,f=-3.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.716 USER MOD Single : A 94 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.29) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -23.3! C(o=-23!,f=-24!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.15) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.820 35.655 9.244 1.00 0.00 N ATOM 2 CA GLY A 1 -34.761 34.905 8.429 1.00 0.00 C ATOM 3 C GLY A 1 -34.028 33.978 7.458 1.00 0.00 C ATOM 4 O GLY A 1 -33.223 34.433 6.648 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.342 36.276 9.894 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.233 34.995 9.793 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.211 36.231 8.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.417 34.318 9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.394 35.595 7.871 1.00 0.00 H new ATOM 8 N ILE A 2 -34.334 32.693 7.572 1.00 0.00 N ATOM 9 CA ILE A 2 -33.714 31.698 6.714 1.00 0.00 C ATOM 10 C ILE A 2 -34.359 30.335 6.974 1.00 0.00 C ATOM 11 O ILE A 2 -35.140 30.182 7.912 1.00 0.00 O ATOM 12 CB ILE A 2 -32.195 31.704 6.897 1.00 0.00 C ATOM 13 CG1 ILE A 2 -31.801 32.428 8.186 1.00 0.00 C ATOM 14 CG2 ILE A 2 -31.498 32.297 5.670 1.00 0.00 C ATOM 15 CD1 ILE A 2 -30.509 31.850 8.766 1.00 0.00 C ATOM 0 H ILE A 2 -35.003 32.319 8.245 1.00 0.00 H new ATOM 0 HA ILE A 2 -33.886 31.939 5.665 1.00 0.00 H new ATOM 0 HB ILE A 2 -31.858 30.672 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -31.670 33.491 7.985 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -32.604 32.339 8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -30.419 32.290 5.825 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -31.742 31.702 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -31.836 33.322 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -30.251 32.382 9.682 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -30.651 30.793 8.989 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -29.703 31.963 8.041 1.00 0.00 H new ATOM 27 N PRO A 3 -33.999 29.353 6.104 1.00 0.00 N ATOM 28 CA PRO A 3 -34.533 28.008 6.231 1.00 0.00 C ATOM 29 C PRO A 3 -33.877 27.264 7.395 1.00 0.00 C ATOM 30 O PRO A 3 -33.171 27.867 8.203 1.00 0.00 O ATOM 31 CB PRO A 3 -34.272 27.353 4.884 1.00 0.00 C ATOM 32 CG PRO A 3 -33.193 28.190 4.216 1.00 0.00 C ATOM 33 CD PRO A 3 -33.077 29.498 4.982 1.00 0.00 C ATOM 0 HA PRO A 3 -35.598 27.999 6.464 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -33.945 26.321 5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -35.178 27.329 4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -32.241 27.659 4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -33.448 28.380 3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -32.057 29.666 5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -33.346 30.349 4.356 1.00 0.00 H new ATOM 41 N ASP A 4 -34.132 25.965 7.445 1.00 0.00 N ATOM 42 CA ASP A 4 -33.575 25.133 8.498 1.00 0.00 C ATOM 43 C ASP A 4 -32.051 25.098 8.362 1.00 0.00 C ATOM 44 O ASP A 4 -31.493 25.699 7.445 1.00 0.00 O ATOM 45 CB ASP A 4 -34.091 23.696 8.395 1.00 0.00 C ATOM 46 CG ASP A 4 -34.112 22.921 9.714 1.00 0.00 C ATOM 47 OD1 ASP A 4 -33.476 23.412 10.671 1.00 0.00 O ATOM 48 OD2 ASP A 4 -34.764 21.855 9.736 1.00 0.00 O ATOM 0 H ASP A 4 -34.717 25.468 6.773 1.00 0.00 H new ATOM 0 HA ASP A 4 -33.875 25.557 9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -35.102 23.717 7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -33.471 23.153 7.682 1.00 0.00 H new ATOM 53 N LEU A 5 -31.422 24.389 9.287 1.00 0.00 N ATOM 54 CA LEU A 5 -29.974 24.268 9.282 1.00 0.00 C ATOM 55 C LEU A 5 -29.364 25.471 10.003 1.00 0.00 C ATOM 56 O LEU A 5 -28.170 25.737 9.873 1.00 0.00 O ATOM 57 CB LEU A 5 -29.458 24.080 7.854 1.00 0.00 C ATOM 58 CG LEU A 5 -30.357 23.272 6.916 1.00 0.00 C ATOM 59 CD1 LEU A 5 -30.646 24.049 5.630 1.00 0.00 C ATOM 60 CD2 LEU A 5 -29.755 21.894 6.631 1.00 0.00 C ATOM 0 H LEU A 5 -31.889 23.892 10.046 1.00 0.00 H new ATOM 0 HA LEU A 5 -29.664 23.378 9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -29.299 25.064 7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -28.485 23.592 7.902 1.00 0.00 H new ATOM 0 HG LEU A 5 -31.312 23.108 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -31.287 23.452 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -31.148 24.985 5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -29.709 24.264 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -30.414 21.340 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -28.779 22.014 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -29.643 21.345 7.566 1.00 0.00 H new ATOM 72 N VAL A 6 -30.211 26.167 10.748 1.00 0.00 N ATOM 73 CA VAL A 6 -29.770 27.335 11.490 1.00 0.00 C ATOM 74 C VAL A 6 -29.443 26.928 12.928 1.00 0.00 C ATOM 75 O VAL A 6 -28.755 25.933 13.154 1.00 0.00 O ATOM 76 CB VAL A 6 -30.828 28.438 11.407 1.00 0.00 C ATOM 77 CG1 VAL A 6 -30.244 29.790 11.821 1.00 0.00 C ATOM 78 CG2 VAL A 6 -31.437 28.509 10.005 1.00 0.00 C ATOM 0 H VAL A 6 -31.201 25.944 10.853 1.00 0.00 H new ATOM 0 HA VAL A 6 -28.859 27.743 11.053 1.00 0.00 H new ATOM 0 HB VAL A 6 -31.626 28.190 12.106 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -31.016 30.556 11.753 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -29.881 29.731 12.847 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -29.418 30.048 11.158 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -32.186 29.301 9.973 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -30.653 28.721 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -31.907 27.555 9.764 1.00 0.00 H new ATOM 88 N LYS A 7 -29.951 27.717 13.863 1.00 0.00 N ATOM 89 CA LYS A 7 -29.722 27.451 15.273 1.00 0.00 C ATOM 90 C LYS A 7 -28.280 26.978 15.470 1.00 0.00 C ATOM 91 O LYS A 7 -27.993 26.218 16.393 1.00 0.00 O ATOM 92 CB LYS A 7 -30.769 26.473 15.810 1.00 0.00 C ATOM 93 CG LYS A 7 -31.959 27.221 16.415 1.00 0.00 C ATOM 94 CD LYS A 7 -32.532 28.232 15.421 1.00 0.00 C ATOM 95 CE LYS A 7 -32.129 29.660 15.797 1.00 0.00 C ATOM 96 NZ LYS A 7 -33.112 30.632 15.268 1.00 0.00 N ATOM 0 H LYS A 7 -30.521 28.541 13.672 1.00 0.00 H new ATOM 0 HA LYS A 7 -29.842 28.363 15.858 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -31.114 25.825 15.004 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -30.317 25.830 16.565 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -32.733 26.509 16.702 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -31.646 27.736 17.323 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -32.176 28.002 14.417 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -33.619 28.151 15.400 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -32.064 29.752 16.881 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -31.139 29.882 15.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -32.824 31.596 15.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -33.154 30.555 14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -34.050 30.430 15.668 1.00 0.00 H new ATOM 110 N GLY A 8 -27.411 27.448 14.587 1.00 0.00 N ATOM 111 CA GLY A 8 -26.006 27.083 14.653 1.00 0.00 C ATOM 112 C GLY A 8 -25.576 26.331 13.392 1.00 0.00 C ATOM 113 O GLY A 8 -25.477 25.105 13.399 1.00 0.00 O ATOM 0 H GLY A 8 -27.653 28.078 13.822 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -25.398 27.980 14.771 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -25.829 26.461 15.530 1.00 0.00 H new ATOM 117 N PRO A 9 -25.324 27.117 12.311 1.00 0.00 N ATOM 118 CA PRO A 9 -24.907 26.539 11.045 1.00 0.00 C ATOM 119 C PRO A 9 -23.445 26.091 11.103 1.00 0.00 C ATOM 120 O PRO A 9 -22.587 26.821 11.598 1.00 0.00 O ATOM 121 CB PRO A 9 -25.154 27.628 10.014 1.00 0.00 C ATOM 122 CG PRO A 9 -25.261 28.926 10.797 1.00 0.00 C ATOM 123 CD PRO A 9 -25.431 28.573 12.265 1.00 0.00 C ATOM 0 HA PRO A 9 -25.463 25.636 10.791 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -24.339 27.674 9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -26.068 27.434 9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -24.368 29.534 10.652 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -26.108 29.515 10.446 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -24.663 29.046 12.877 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -26.395 28.911 12.645 1.00 0.00 H new ATOM 131 N TRP A 10 -23.206 24.893 10.590 1.00 0.00 N ATOM 132 CA TRP A 10 -21.862 24.339 10.577 1.00 0.00 C ATOM 133 C TRP A 10 -21.146 24.865 9.331 1.00 0.00 C ATOM 134 O TRP A 10 -21.791 25.262 8.362 1.00 0.00 O ATOM 135 CB TRP A 10 -21.898 22.811 10.646 1.00 0.00 C ATOM 136 CG TRP A 10 -22.382 22.260 11.989 1.00 0.00 C ATOM 137 CD1 TRP A 10 -23.284 22.795 12.824 1.00 0.00 C ATOM 138 CD2 TRP A 10 -21.952 21.036 12.621 1.00 0.00 C ATOM 139 NE1 TRP A 10 -23.464 22.009 13.944 1.00 0.00 N ATOM 140 CE2 TRP A 10 -22.629 20.906 13.816 1.00 0.00 C ATOM 141 CE3 TRP A 10 -21.021 20.072 12.197 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -22.447 19.824 14.686 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -20.850 18.997 13.078 1.00 0.00 C ATOM 144 CH2 TRP A 10 -21.524 18.851 14.285 1.00 0.00 C ATOM 0 H TRP A 10 -23.920 24.290 10.180 1.00 0.00 H new ATOM 0 HA TRP A 10 -21.305 24.657 11.459 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -22.549 22.437 9.856 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -20.899 22.425 10.445 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -23.804 23.724 12.643 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -24.094 22.202 14.722 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -20.480 20.154 11.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -22.990 19.744 15.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -20.145 18.227 12.800 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -21.336 17.991 14.910 1.00 0.00 H new ATOM 155 N THR A 11 -19.823 24.850 9.398 1.00 0.00 N ATOM 156 CA THR A 11 -19.013 25.320 8.287 1.00 0.00 C ATOM 157 C THR A 11 -17.703 24.533 8.212 1.00 0.00 C ATOM 158 O THR A 11 -17.576 23.472 8.823 1.00 0.00 O ATOM 159 CB THR A 11 -18.807 26.827 8.457 1.00 0.00 C ATOM 160 OG1 THR A 11 -17.952 26.935 9.592 1.00 0.00 O ATOM 161 CG2 THR A 11 -20.087 27.548 8.884 1.00 0.00 C ATOM 0 H THR A 11 -19.292 24.520 10.204 1.00 0.00 H new ATOM 0 HA THR A 11 -19.513 25.151 7.333 1.00 0.00 H new ATOM 0 HB THR A 11 -18.446 27.252 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.765 27.880 9.772 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.886 28.614 8.990 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.858 27.398 8.129 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.430 27.147 9.838 1.00 0.00 H new ATOM 169 N LYS A 12 -16.762 25.082 7.458 1.00 0.00 N ATOM 170 CA LYS A 12 -15.467 24.444 7.294 1.00 0.00 C ATOM 171 C LYS A 12 -15.028 23.842 8.631 1.00 0.00 C ATOM 172 O LYS A 12 -14.721 22.653 8.709 1.00 0.00 O ATOM 173 CB LYS A 12 -14.456 25.427 6.701 1.00 0.00 C ATOM 174 CG LYS A 12 -13.170 24.709 6.287 1.00 0.00 C ATOM 175 CD LYS A 12 -11.990 25.156 7.151 1.00 0.00 C ATOM 176 CE LYS A 12 -10.825 25.635 6.283 1.00 0.00 C ATOM 177 NZ LYS A 12 -10.220 26.858 6.857 1.00 0.00 N ATOM 0 H LYS A 12 -16.871 25.962 6.954 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.534 23.623 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.893 25.926 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.225 26.202 7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.305 23.631 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.956 24.915 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.306 25.959 7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.663 24.329 7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.072 24.850 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.176 25.836 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.431 27.170 6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.937 27.610 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.867 26.654 7.814 1.00 0.00 H new ATOM 191 N GLU A 13 -15.011 24.690 9.648 1.00 0.00 N ATOM 192 CA GLU A 13 -14.614 24.257 10.977 1.00 0.00 C ATOM 193 C GLU A 13 -15.277 22.922 11.320 1.00 0.00 C ATOM 194 O GLU A 13 -14.646 22.045 11.908 1.00 0.00 O ATOM 195 CB GLU A 13 -14.951 25.321 12.024 1.00 0.00 C ATOM 196 CG GLU A 13 -13.892 25.360 13.127 1.00 0.00 C ATOM 197 CD GLU A 13 -14.504 25.016 14.487 1.00 0.00 C ATOM 198 OE1 GLU A 13 -15.016 23.883 14.608 1.00 0.00 O ATOM 199 OE2 GLU A 13 -14.445 25.895 15.374 1.00 0.00 O ATOM 0 H GLU A 13 -15.266 25.675 9.579 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.533 24.117 10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.019 26.298 11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.928 25.111 12.460 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.094 24.655 12.895 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.440 26.351 13.168 1.00 0.00 H new ATOM 206 N GLU A 14 -16.541 22.809 10.938 1.00 0.00 N ATOM 207 CA GLU A 14 -17.296 21.595 11.198 1.00 0.00 C ATOM 208 C GLU A 14 -16.592 20.389 10.572 1.00 0.00 C ATOM 209 O GLU A 14 -16.414 19.362 11.226 1.00 0.00 O ATOM 210 CB GLU A 14 -18.731 21.721 10.682 1.00 0.00 C ATOM 211 CG GLU A 14 -18.971 20.787 9.495 1.00 0.00 C ATOM 212 CD GLU A 14 -20.410 20.904 8.988 1.00 0.00 C ATOM 213 OE1 GLU A 14 -20.707 21.943 8.359 1.00 0.00 O ATOM 214 OE2 GLU A 14 -21.179 19.952 9.240 1.00 0.00 O ATOM 0 H GLU A 14 -17.061 23.538 10.450 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.345 21.444 12.276 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.431 21.484 11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.925 22.751 10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.277 21.030 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.768 19.758 9.791 1.00 0.00 H new ATOM 221 N ASP A 15 -16.213 20.553 9.314 1.00 0.00 N ATOM 222 CA ASP A 15 -15.533 19.490 8.593 1.00 0.00 C ATOM 223 C ASP A 15 -14.217 19.160 9.300 1.00 0.00 C ATOM 224 O ASP A 15 -13.878 17.990 9.474 1.00 0.00 O ATOM 225 CB ASP A 15 -15.206 19.917 7.161 1.00 0.00 C ATOM 226 CG ASP A 15 -16.259 19.542 6.117 1.00 0.00 C ATOM 227 OD1 ASP A 15 -17.263 20.283 6.033 1.00 0.00 O ATOM 228 OD2 ASP A 15 -16.038 18.524 5.427 1.00 0.00 O ATOM 0 H ASP A 15 -16.364 21.406 8.775 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.194 18.623 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.068 20.998 7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.255 19.469 6.873 1.00 0.00 H new ATOM 233 N GLN A 16 -13.512 20.212 9.689 1.00 0.00 N ATOM 234 CA GLN A 16 -12.241 20.049 10.374 1.00 0.00 C ATOM 235 C GLN A 16 -12.416 19.173 11.617 1.00 0.00 C ATOM 236 O GLN A 16 -11.452 18.589 12.110 1.00 0.00 O ATOM 237 CB GLN A 16 -11.637 21.406 10.740 1.00 0.00 C ATOM 238 CG GLN A 16 -12.097 21.854 12.129 1.00 0.00 C ATOM 239 CD GLN A 16 -10.910 21.979 13.086 1.00 0.00 C ATOM 240 OE1 GLN A 16 -10.006 22.776 12.894 1.00 0.00 O ATOM 241 NE2 GLN A 16 -10.963 21.151 14.125 1.00 0.00 N ATOM 0 H GLN A 16 -13.797 21.180 9.543 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.547 19.551 9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.549 21.342 10.716 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.929 22.150 9.999 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.611 22.812 12.054 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.815 21.137 12.527 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.749 20.509 14.226 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.218 21.158 14.821 1.00 0.00 H new ATOM 250 N LYS A 17 -13.652 19.110 12.088 1.00 0.00 N ATOM 251 CA LYS A 17 -13.966 18.316 13.263 1.00 0.00 C ATOM 252 C LYS A 17 -13.869 16.831 12.911 1.00 0.00 C ATOM 253 O LYS A 17 -13.092 16.095 13.517 1.00 0.00 O ATOM 254 CB LYS A 17 -15.324 18.725 13.839 1.00 0.00 C ATOM 255 CG LYS A 17 -15.341 18.575 15.362 1.00 0.00 C ATOM 256 CD LYS A 17 -16.775 18.553 15.894 1.00 0.00 C ATOM 257 CE LYS A 17 -16.857 19.205 17.276 1.00 0.00 C ATOM 258 NZ LYS A 17 -17.098 18.182 18.318 1.00 0.00 N ATOM 0 H LYS A 17 -14.449 19.596 11.677 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.241 18.504 14.055 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.541 19.759 13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -16.109 18.109 13.401 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.830 17.655 15.646 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.792 19.399 15.818 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -17.432 19.078 15.201 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.130 17.524 15.952 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.930 19.738 17.489 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.659 19.943 17.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.151 18.641 19.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -17.994 17.692 18.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.319 17.493 18.315 1.00 0.00 H new ATOM 272 N VAL A 18 -14.669 16.434 11.932 1.00 0.00 N ATOM 273 CA VAL A 18 -14.683 15.050 11.491 1.00 0.00 C ATOM 274 C VAL A 18 -13.244 14.546 11.359 1.00 0.00 C ATOM 275 O VAL A 18 -12.970 13.371 11.596 1.00 0.00 O ATOM 276 CB VAL A 18 -15.483 14.922 10.193 1.00 0.00 C ATOM 277 CG1 VAL A 18 -15.252 13.558 9.539 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.973 15.166 10.441 1.00 0.00 C ATOM 0 H VAL A 18 -15.312 17.047 11.432 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.182 14.420 12.228 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.128 15.688 9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -15.832 13.493 8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -14.193 13.439 9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -15.566 12.769 10.222 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -17.519 15.069 9.502 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -17.348 14.433 11.156 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.116 16.170 10.842 1.00 0.00 H new ATOM 288 N ILE A 19 -12.363 15.461 10.982 1.00 0.00 N ATOM 289 CA ILE A 19 -10.960 15.125 10.815 1.00 0.00 C ATOM 290 C ILE A 19 -10.332 14.883 12.189 1.00 0.00 C ATOM 291 O ILE A 19 -9.696 13.853 12.413 1.00 0.00 O ATOM 292 CB ILE A 19 -10.245 16.199 9.993 1.00 0.00 C ATOM 293 CG1 ILE A 19 -10.668 16.138 8.524 1.00 0.00 C ATOM 294 CG2 ILE A 19 -8.727 16.096 10.157 1.00 0.00 C ATOM 295 CD1 ILE A 19 -12.090 15.590 8.386 1.00 0.00 C ATOM 0 H ILE A 19 -12.594 16.435 10.787 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.855 14.200 10.248 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.544 17.175 10.374 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.614 17.134 8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.975 15.506 7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.243 16.871 9.562 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.465 16.228 11.207 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.390 15.116 9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.366 15.557 7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.135 14.585 8.805 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -12.783 16.238 8.923 1.00 0.00 H new ATOM 307 N GLU A 20 -10.531 15.848 13.074 1.00 0.00 N ATOM 308 CA GLU A 20 -9.992 15.753 14.420 1.00 0.00 C ATOM 309 C GLU A 20 -10.587 14.545 15.146 1.00 0.00 C ATOM 310 O GLU A 20 -9.973 14.003 16.064 1.00 0.00 O ATOM 311 CB GLU A 20 -10.243 17.042 15.205 1.00 0.00 C ATOM 312 CG GLU A 20 -9.079 17.345 16.150 1.00 0.00 C ATOM 313 CD GLU A 20 -9.538 17.322 17.609 1.00 0.00 C ATOM 314 OE1 GLU A 20 -10.157 18.325 18.026 1.00 0.00 O ATOM 315 OE2 GLU A 20 -9.259 16.302 18.276 1.00 0.00 O ATOM 0 H GLU A 20 -11.058 16.700 12.885 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.913 15.615 14.348 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.379 17.873 14.513 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.166 16.949 15.777 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.286 16.612 16.003 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.658 18.322 15.913 1.00 0.00 H new ATOM 322 N LEU A 21 -11.776 14.158 14.707 1.00 0.00 N ATOM 323 CA LEU A 21 -12.462 13.024 15.304 1.00 0.00 C ATOM 324 C LEU A 21 -11.790 11.729 14.844 1.00 0.00 C ATOM 325 O LEU A 21 -11.240 10.988 15.657 1.00 0.00 O ATOM 326 CB LEU A 21 -13.960 13.082 14.998 1.00 0.00 C ATOM 327 CG LEU A 21 -14.791 14.007 15.890 1.00 0.00 C ATOM 328 CD1 LEU A 21 -15.718 14.889 15.052 1.00 0.00 C ATOM 329 CD2 LEU A 21 -15.559 13.206 16.944 1.00 0.00 C ATOM 0 H LEU A 21 -12.282 14.609 13.945 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.381 13.058 16.390 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.087 13.398 13.963 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.366 12.073 15.076 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.110 14.671 16.423 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.297 15.537 15.710 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.123 15.500 14.373 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.395 14.260 14.475 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.142 13.887 17.565 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.229 12.502 16.450 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.854 12.658 17.569 1.00 0.00 H new ATOM 341 N VAL A 22 -11.858 11.494 13.542 1.00 0.00 N ATOM 342 CA VAL A 22 -11.263 10.301 12.964 1.00 0.00 C ATOM 343 C VAL A 22 -9.839 10.136 13.499 1.00 0.00 C ATOM 344 O VAL A 22 -9.288 9.036 13.478 1.00 0.00 O ATOM 345 CB VAL A 22 -11.323 10.373 11.437 1.00 0.00 C ATOM 346 CG1 VAL A 22 -10.684 9.135 10.804 1.00 0.00 C ATOM 347 CG2 VAL A 22 -12.763 10.555 10.953 1.00 0.00 C ATOM 0 H VAL A 22 -12.316 12.110 12.870 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.825 9.414 13.256 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.750 11.245 11.120 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.740 9.212 9.718 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.640 9.068 11.110 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.216 8.242 11.133 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.778 10.603 9.864 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.368 9.712 11.287 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.170 11.479 11.363 1.00 0.00 H new ATOM 357 N LYS A 23 -9.284 11.245 13.967 1.00 0.00 N ATOM 358 CA LYS A 23 -7.935 11.236 14.506 1.00 0.00 C ATOM 359 C LYS A 23 -7.951 10.600 15.898 1.00 0.00 C ATOM 360 O LYS A 23 -7.124 9.741 16.201 1.00 0.00 O ATOM 361 CB LYS A 23 -7.340 12.646 14.482 1.00 0.00 C ATOM 362 CG LYS A 23 -6.781 12.980 13.097 1.00 0.00 C ATOM 363 CD LYS A 23 -5.533 13.859 13.208 1.00 0.00 C ATOM 364 CE LYS A 23 -5.882 15.335 13.003 1.00 0.00 C ATOM 365 NZ LYS A 23 -5.412 16.142 14.151 1.00 0.00 N ATOM 0 H LYS A 23 -9.744 12.155 13.984 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.280 10.627 13.884 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.105 13.373 14.754 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.548 12.723 15.227 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.536 12.059 12.568 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.541 13.494 12.508 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.074 13.723 14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.798 13.549 12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.424 15.699 12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.960 15.448 12.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.657 17.141 13.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.868 15.805 15.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.380 16.048 14.242 1.00 0.00 H new ATOM 379 N LYS A 24 -8.902 11.045 16.706 1.00 0.00 N ATOM 380 CA LYS A 24 -9.036 10.530 18.058 1.00 0.00 C ATOM 381 C LYS A 24 -9.961 9.312 18.045 1.00 0.00 C ATOM 382 O LYS A 24 -10.167 8.673 19.076 1.00 0.00 O ATOM 383 CB LYS A 24 -9.491 11.638 19.011 1.00 0.00 C ATOM 384 CG LYS A 24 -8.933 11.414 20.418 1.00 0.00 C ATOM 385 CD LYS A 24 -9.982 11.742 21.482 1.00 0.00 C ATOM 386 CE LYS A 24 -10.837 10.516 21.807 1.00 0.00 C ATOM 387 NZ LYS A 24 -10.198 9.704 22.866 1.00 0.00 N ATOM 0 H LYS A 24 -9.587 11.756 16.450 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.070 10.194 18.435 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.160 12.606 18.634 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.580 11.666 19.048 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.613 10.378 20.525 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.051 12.037 20.567 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.488 12.096 22.387 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.621 12.552 21.130 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.828 10.832 22.132 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.973 9.912 20.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.792 8.876 23.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.262 9.386 22.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.091 10.278 23.726 1.00 0.00 H new ATOM 401 N TYR A 25 -10.495 9.026 16.866 1.00 0.00 N ATOM 402 CA TYR A 25 -11.393 7.896 16.706 1.00 0.00 C ATOM 403 C TYR A 25 -10.721 6.768 15.920 1.00 0.00 C ATOM 404 O TYR A 25 -10.678 5.627 16.378 1.00 0.00 O ATOM 405 CB TYR A 25 -12.588 8.417 15.905 1.00 0.00 C ATOM 406 CG TYR A 25 -13.669 9.081 16.760 1.00 0.00 C ATOM 407 CD1 TYR A 25 -13.311 9.868 17.836 1.00 0.00 C ATOM 408 CD2 TYR A 25 -15.002 8.892 16.456 1.00 0.00 C ATOM 409 CE1 TYR A 25 -14.328 10.493 18.641 1.00 0.00 C ATOM 410 CE2 TYR A 25 -16.019 9.517 17.261 1.00 0.00 C ATOM 411 CZ TYR A 25 -15.632 10.286 18.314 1.00 0.00 C ATOM 412 OH TYR A 25 -16.593 10.876 19.074 1.00 0.00 O ATOM 0 H TYR A 25 -10.322 9.558 16.013 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.683 7.496 17.678 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.232 9.135 15.166 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.033 7.588 15.355 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.268 10.015 18.074 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -15.282 8.276 15.615 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -14.062 11.112 19.485 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -17.066 9.378 17.034 1.00 0.00 H new ATOM 0 HH TYR A 25 -17.477 10.641 18.723 1.00 0.00 H new ATOM 422 N GLY A 26 -10.212 7.127 14.751 1.00 0.00 N ATOM 423 CA GLY A 26 -9.543 6.159 13.897 1.00 0.00 C ATOM 424 C GLY A 26 -10.287 5.993 12.570 1.00 0.00 C ATOM 425 O GLY A 26 -10.040 6.733 11.619 1.00 0.00 O ATOM 0 H GLY A 26 -10.249 8.074 14.375 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.520 6.483 13.706 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.484 5.198 14.408 1.00 0.00 H new ATOM 429 N THR A 27 -11.181 5.016 12.549 1.00 0.00 N ATOM 430 CA THR A 27 -11.962 4.742 11.354 1.00 0.00 C ATOM 431 C THR A 27 -12.917 3.572 11.597 1.00 0.00 C ATOM 432 O THR A 27 -13.156 2.764 10.701 1.00 0.00 O ATOM 433 CB THR A 27 -10.989 4.502 10.198 1.00 0.00 C ATOM 434 OG1 THR A 27 -9.743 4.245 10.840 1.00 0.00 O ATOM 435 CG2 THR A 27 -10.731 5.767 9.377 1.00 0.00 C ATOM 0 H THR A 27 -11.382 4.404 13.340 1.00 0.00 H new ATOM 0 HA THR A 27 -12.596 5.589 11.094 1.00 0.00 H new ATOM 0 HB THR A 27 -11.384 3.722 9.548 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.055 4.077 10.163 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.034 5.541 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.670 6.125 8.956 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.305 6.537 10.020 1.00 0.00 H new ATOM 443 N LYS A 28 -13.439 3.519 12.814 1.00 0.00 N ATOM 444 CA LYS A 28 -14.363 2.462 13.187 1.00 0.00 C ATOM 445 C LYS A 28 -15.789 3.016 13.194 1.00 0.00 C ATOM 446 O LYS A 28 -16.735 2.308 12.852 1.00 0.00 O ATOM 447 CB LYS A 28 -13.943 1.826 14.514 1.00 0.00 C ATOM 448 CG LYS A 28 -14.056 0.302 14.452 1.00 0.00 C ATOM 449 CD LYS A 28 -13.002 -0.363 15.340 1.00 0.00 C ATOM 450 CE LYS A 28 -13.506 -0.505 16.777 1.00 0.00 C ATOM 451 NZ LYS A 28 -14.102 -1.844 16.987 1.00 0.00 N ATOM 0 H LYS A 28 -13.239 4.192 13.554 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.337 1.657 12.453 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.917 2.109 14.748 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.570 2.208 15.319 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.052 -0.006 14.771 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.933 -0.034 13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.752 -1.346 14.940 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.086 0.228 15.329 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.682 -0.354 17.474 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.247 0.266 16.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.439 -1.924 17.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.901 -1.975 16.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.385 -2.575 16.807 1.00 0.00 H new ATOM 465 N GLN A 29 -15.898 4.276 13.588 1.00 0.00 N ATOM 466 CA GLN A 29 -17.193 4.933 13.644 1.00 0.00 C ATOM 467 C GLN A 29 -17.300 5.989 12.543 1.00 0.00 C ATOM 468 O GLN A 29 -17.303 7.187 12.824 1.00 0.00 O ATOM 469 CB GLN A 29 -17.434 5.552 15.023 1.00 0.00 C ATOM 470 CG GLN A 29 -17.660 4.468 16.078 1.00 0.00 C ATOM 471 CD GLN A 29 -17.492 5.034 17.490 1.00 0.00 C ATOM 472 OE1 GLN A 29 -18.398 5.015 18.306 1.00 0.00 O ATOM 473 NE2 GLN A 29 -16.284 5.537 17.731 1.00 0.00 N ATOM 0 H GLN A 29 -15.111 4.860 13.872 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.967 4.184 13.478 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.578 6.166 15.305 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -18.301 6.212 14.983 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -18.660 4.050 15.967 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.954 3.652 15.923 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.570 5.521 17.002 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.072 5.938 18.644 1.00 0.00 H new ATOM 482 N TRP A 30 -17.387 5.507 11.311 1.00 0.00 N ATOM 483 CA TRP A 30 -17.494 6.395 10.166 1.00 0.00 C ATOM 484 C TRP A 30 -18.799 7.183 10.300 1.00 0.00 C ATOM 485 O TRP A 30 -19.021 8.151 9.573 1.00 0.00 O ATOM 486 CB TRP A 30 -17.401 5.612 8.855 1.00 0.00 C ATOM 487 CG TRP A 30 -15.968 5.336 8.396 1.00 0.00 C ATOM 488 CD1 TRP A 30 -15.231 4.237 8.607 1.00 0.00 C ATOM 489 CD2 TRP A 30 -15.122 6.224 7.635 1.00 0.00 C ATOM 490 NE1 TRP A 30 -13.978 4.351 8.040 1.00 0.00 N ATOM 491 CE2 TRP A 30 -13.910 5.598 7.430 1.00 0.00 C ATOM 492 CE3 TRP A 30 -15.374 7.515 7.136 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -12.854 6.185 6.723 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -14.308 8.088 6.432 1.00 0.00 C ATOM 495 CH2 TRP A 30 -13.082 7.470 6.216 1.00 0.00 C ATOM 0 H TRP A 30 -17.386 4.513 11.081 1.00 0.00 H new ATOM 0 HA TRP A 30 -16.662 7.099 10.144 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -17.923 4.663 8.973 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -17.921 6.167 8.074 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -15.575 3.371 9.152 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -13.238 3.649 8.064 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -16.315 8.024 7.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -11.914 5.674 6.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -14.448 9.080 6.028 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -12.309 7.979 5.660 1.00 0.00 H new ATOM 506 N THR A 31 -19.627 6.740 11.234 1.00 0.00 N ATOM 507 CA THR A 31 -20.904 7.393 11.472 1.00 0.00 C ATOM 508 C THR A 31 -20.688 8.786 12.065 1.00 0.00 C ATOM 509 O THR A 31 -21.341 9.746 11.658 1.00 0.00 O ATOM 510 CB THR A 31 -21.744 6.476 12.364 1.00 0.00 C ATOM 511 OG1 THR A 31 -22.989 6.370 11.679 1.00 0.00 O ATOM 512 CG2 THR A 31 -22.108 7.131 13.699 1.00 0.00 C ATOM 0 H THR A 31 -19.439 5.937 11.835 1.00 0.00 H new ATOM 0 HA THR A 31 -21.447 7.552 10.541 1.00 0.00 H new ATOM 0 HB THR A 31 -21.198 5.551 12.550 1.00 0.00 H new ATOM 0 HG1 THR A 31 -23.594 5.791 12.188 1.00 0.00 H new ATOM 0 HG21 THR A 31 -22.704 6.438 14.294 1.00 0.00 H new ATOM 0 HG22 THR A 31 -21.197 7.383 14.241 1.00 0.00 H new ATOM 0 HG23 THR A 31 -22.683 8.038 13.514 1.00 0.00 H new ATOM 520 N LEU A 32 -19.769 8.854 13.018 1.00 0.00 N ATOM 521 CA LEU A 32 -19.460 10.114 13.671 1.00 0.00 C ATOM 522 C LEU A 32 -19.154 11.172 12.609 1.00 0.00 C ATOM 523 O LEU A 32 -19.324 12.366 12.850 1.00 0.00 O ATOM 524 CB LEU A 32 -18.336 9.926 14.693 1.00 0.00 C ATOM 525 CG LEU A 32 -16.970 10.489 14.298 1.00 0.00 C ATOM 526 CD1 LEU A 32 -16.391 9.735 13.099 1.00 0.00 C ATOM 527 CD2 LEU A 32 -17.050 11.996 14.044 1.00 0.00 C ATOM 0 H LEU A 32 -19.229 8.056 13.353 1.00 0.00 H new ATOM 0 HA LEU A 32 -20.320 10.470 14.238 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.642 10.392 15.630 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -18.225 8.860 14.889 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.285 10.339 15.133 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.420 10.156 12.839 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.274 8.682 13.354 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.067 9.830 12.249 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.065 12.371 13.765 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.755 12.192 13.236 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.387 12.500 14.950 1.00 0.00 H new ATOM 539 N ILE A 33 -18.708 10.696 11.456 1.00 0.00 N ATOM 540 CA ILE A 33 -18.376 11.586 10.356 1.00 0.00 C ATOM 541 C ILE A 33 -19.667 12.094 9.711 1.00 0.00 C ATOM 542 O ILE A 33 -19.782 13.276 9.390 1.00 0.00 O ATOM 543 CB ILE A 33 -17.428 10.894 9.374 1.00 0.00 C ATOM 544 CG1 ILE A 33 -16.018 10.786 9.957 1.00 0.00 C ATOM 545 CG2 ILE A 33 -17.435 11.600 8.017 1.00 0.00 C ATOM 546 CD1 ILE A 33 -15.712 9.351 10.389 1.00 0.00 C ATOM 0 H ILE A 33 -18.569 9.705 11.259 1.00 0.00 H new ATOM 0 HA ILE A 33 -17.836 12.460 10.721 1.00 0.00 H new ATOM 0 HB ILE A 33 -17.787 9.878 9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -15.288 11.110 9.215 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -15.922 11.455 10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -16.753 11.089 7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -18.443 11.581 7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -17.114 12.634 8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -14.704 9.302 10.800 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -16.429 9.039 11.149 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.785 8.688 9.527 1.00 0.00 H new ATOM 558 N ALA A 34 -20.607 11.175 9.539 1.00 0.00 N ATOM 559 CA ALA A 34 -21.885 11.515 8.938 1.00 0.00 C ATOM 560 C ALA A 34 -22.939 11.657 10.037 1.00 0.00 C ATOM 561 O ALA A 34 -24.137 11.636 9.759 1.00 0.00 O ATOM 562 CB ALA A 34 -22.261 10.453 7.903 1.00 0.00 C ATOM 0 H ALA A 34 -20.508 10.195 9.806 1.00 0.00 H new ATOM 0 HA ALA A 34 -21.822 12.470 8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -23.220 10.708 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -21.495 10.412 7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.336 9.481 8.390 1.00 0.00 H new ATOM 568 N LYS A 35 -22.455 11.799 11.262 1.00 0.00 N ATOM 569 CA LYS A 35 -23.341 11.944 12.405 1.00 0.00 C ATOM 570 C LYS A 35 -23.128 13.321 13.037 1.00 0.00 C ATOM 571 O LYS A 35 -24.024 13.852 13.693 1.00 0.00 O ATOM 572 CB LYS A 35 -23.151 10.783 13.382 1.00 0.00 C ATOM 573 CG LYS A 35 -24.299 10.721 14.391 1.00 0.00 C ATOM 574 CD LYS A 35 -23.800 11.006 15.808 1.00 0.00 C ATOM 575 CE LYS A 35 -23.424 9.710 16.529 1.00 0.00 C ATOM 576 NZ LYS A 35 -23.112 9.979 17.950 1.00 0.00 N ATOM 0 H LYS A 35 -21.461 11.817 11.488 1.00 0.00 H new ATOM 0 HA LYS A 35 -24.383 11.895 12.088 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -23.096 9.844 12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -22.204 10.899 13.910 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -25.066 11.446 14.119 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -24.765 9.736 14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -22.934 11.667 15.766 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -24.573 11.528 16.371 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -24.245 8.997 16.460 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.563 9.253 16.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.859 9.089 18.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.314 10.643 18.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -23.944 10.395 18.415 1.00 0.00 H new ATOM 590 N HIS A 36 -21.938 13.860 12.819 1.00 0.00 N ATOM 591 CA HIS A 36 -21.596 15.164 13.360 1.00 0.00 C ATOM 592 C HIS A 36 -21.985 16.253 12.358 1.00 0.00 C ATOM 593 O HIS A 36 -22.637 17.231 12.720 1.00 0.00 O ATOM 594 CB HIS A 36 -20.118 15.220 13.751 1.00 0.00 C ATOM 595 CG HIS A 36 -19.723 14.213 14.805 1.00 0.00 C ATOM 596 ND1 HIS A 36 -20.147 12.934 15.019 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -18.789 14.484 15.789 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -19.505 12.450 16.075 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -18.663 13.410 16.554 1.00 0.00 N flip ATOM 0 H HIS A 36 -21.198 13.417 12.275 1.00 0.00 H new ATOM 0 HA HIS A 36 -22.161 15.341 14.275 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -19.511 15.056 12.861 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -19.887 16.221 14.115 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -20.840 12.434 14.462 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -18.253 15.414 15.912 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -19.629 11.459 16.487 1.00 0.00 H new ATOM 607 N LEU A 37 -21.569 16.047 11.117 1.00 0.00 N ATOM 608 CA LEU A 37 -21.866 16.998 10.060 1.00 0.00 C ATOM 609 C LEU A 37 -23.261 16.713 9.500 1.00 0.00 C ATOM 610 O LEU A 37 -23.397 16.074 8.458 1.00 0.00 O ATOM 611 CB LEU A 37 -20.763 16.983 9.000 1.00 0.00 C ATOM 612 CG LEU A 37 -19.339 16.765 9.516 1.00 0.00 C ATOM 613 CD1 LEU A 37 -18.310 17.031 8.416 1.00 0.00 C ATOM 614 CD2 LEU A 37 -19.074 17.607 10.765 1.00 0.00 C ATOM 0 H LEU A 37 -21.028 15.235 10.820 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.882 18.014 10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.991 16.198 8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.792 17.930 8.461 1.00 0.00 H new ATOM 0 HG LEU A 37 -19.237 15.719 9.805 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.307 16.869 8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.486 16.353 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.403 18.061 8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.055 17.433 11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.201 18.663 10.526 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -19.777 17.326 11.549 1.00 0.00 H new ATOM 626 N LYS A 38 -24.262 17.202 10.217 1.00 0.00 N ATOM 627 CA LYS A 38 -25.642 17.008 9.805 1.00 0.00 C ATOM 628 C LYS A 38 -25.950 17.925 8.620 1.00 0.00 C ATOM 629 O LYS A 38 -25.038 18.464 7.994 1.00 0.00 O ATOM 630 CB LYS A 38 -26.588 17.199 10.992 1.00 0.00 C ATOM 631 CG LYS A 38 -26.579 18.652 11.472 1.00 0.00 C ATOM 632 CD LYS A 38 -27.028 18.750 12.931 1.00 0.00 C ATOM 633 CE LYS A 38 -27.977 19.932 13.135 1.00 0.00 C ATOM 634 NZ LYS A 38 -28.508 19.939 14.516 1.00 0.00 N ATOM 0 H LYS A 38 -24.145 17.732 11.081 1.00 0.00 H new ATOM 0 HA LYS A 38 -25.797 15.984 9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -27.600 16.913 10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -26.291 16.541 11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -25.577 19.067 11.368 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -27.239 19.250 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -27.525 17.825 13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -26.157 18.863 13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -27.451 20.866 12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -28.800 19.872 12.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -29.150 20.748 14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -29.027 19.055 14.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -27.720 20.019 15.190 1.00 0.00 H new ATOM 648 N GLY A 39 -27.238 18.074 8.347 1.00 0.00 N ATOM 649 CA GLY A 39 -27.677 18.917 7.248 1.00 0.00 C ATOM 650 C GLY A 39 -27.495 18.206 5.905 1.00 0.00 C ATOM 651 O GLY A 39 -28.431 18.123 5.112 1.00 0.00 O ATOM 0 H GLY A 39 -27.991 17.625 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -28.726 19.182 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -27.110 19.848 7.250 1.00 0.00 H new ATOM 655 N ARG A 40 -26.285 17.712 5.692 1.00 0.00 N ATOM 656 CA ARG A 40 -25.969 17.011 4.460 1.00 0.00 C ATOM 657 C ARG A 40 -25.153 15.752 4.759 1.00 0.00 C ATOM 658 O ARG A 40 -24.921 15.420 5.921 1.00 0.00 O ATOM 659 CB ARG A 40 -25.178 17.907 3.504 1.00 0.00 C ATOM 660 CG ARG A 40 -26.012 19.113 3.067 1.00 0.00 C ATOM 661 CD ARG A 40 -25.689 20.341 3.921 1.00 0.00 C ATOM 662 NE ARG A 40 -25.107 21.407 3.075 1.00 0.00 N ATOM 663 CZ ARG A 40 -24.612 22.557 3.551 1.00 0.00 C ATOM 664 NH1 ARG A 40 -24.625 22.798 4.869 1.00 0.00 N ATOM 665 NH2 ARG A 40 -24.104 23.467 2.709 1.00 0.00 N ATOM 0 H ARG A 40 -25.511 17.783 6.352 1.00 0.00 H new ATOM 0 HA ARG A 40 -26.911 16.734 3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -24.265 18.249 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -24.875 17.333 2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -25.817 19.334 2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -27.073 18.876 3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -26.594 20.705 4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -24.989 20.070 4.712 1.00 0.00 H new ATOM 0 HE ARG A 40 -25.081 21.256 2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -25.012 22.106 5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -24.248 23.674 5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -24.094 23.284 1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.727 24.343 3.071 1.00 0.00 H new ATOM 679 N LEU A 41 -24.740 15.085 3.691 1.00 0.00 N ATOM 680 CA LEU A 41 -23.955 13.869 3.825 1.00 0.00 C ATOM 681 C LEU A 41 -22.585 14.214 4.412 1.00 0.00 C ATOM 682 O LEU A 41 -22.285 15.383 4.653 1.00 0.00 O ATOM 683 CB LEU A 41 -23.882 13.128 2.489 1.00 0.00 C ATOM 684 CG LEU A 41 -24.966 12.076 2.246 1.00 0.00 C ATOM 685 CD1 LEU A 41 -24.700 10.815 3.070 1.00 0.00 C ATOM 686 CD2 LEU A 41 -26.359 12.651 2.511 1.00 0.00 C ATOM 0 H LEU A 41 -24.934 15.363 2.729 1.00 0.00 H new ATOM 0 HA LEU A 41 -24.436 13.180 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -23.930 13.863 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -22.909 12.642 2.418 1.00 0.00 H new ATOM 0 HG LEU A 41 -24.932 11.788 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -25.485 10.083 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -23.735 10.394 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -24.690 11.068 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -27.110 11.882 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -26.424 12.986 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -26.537 13.495 1.845 1.00 0.00 H new ATOM 698 N GLY A 42 -21.790 13.176 4.626 1.00 0.00 N ATOM 699 CA GLY A 42 -20.459 13.355 5.181 1.00 0.00 C ATOM 700 C GLY A 42 -19.585 14.197 4.249 1.00 0.00 C ATOM 701 O GLY A 42 -19.937 15.329 3.917 1.00 0.00 O ATOM 0 H GLY A 42 -22.042 12.208 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -20.529 13.839 6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -19.994 12.382 5.341 1.00 0.00 H new ATOM 705 N LYS A 43 -18.464 13.614 3.853 1.00 0.00 N ATOM 706 CA LYS A 43 -17.537 14.297 2.966 1.00 0.00 C ATOM 707 C LYS A 43 -16.524 13.289 2.419 1.00 0.00 C ATOM 708 O LYS A 43 -15.358 13.302 2.810 1.00 0.00 O ATOM 709 CB LYS A 43 -16.895 15.490 3.678 1.00 0.00 C ATOM 710 CG LYS A 43 -16.563 16.606 2.686 1.00 0.00 C ATOM 711 CD LYS A 43 -15.236 16.331 1.976 1.00 0.00 C ATOM 712 CE LYS A 43 -14.486 17.634 1.691 1.00 0.00 C ATOM 713 NZ LYS A 43 -13.469 17.886 2.737 1.00 0.00 N ATOM 0 H LYS A 43 -18.176 12.676 4.130 1.00 0.00 H new ATOM 0 HA LYS A 43 -18.066 14.714 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.572 15.869 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.986 15.169 4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.362 16.693 1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.508 17.560 3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.618 15.679 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.422 15.803 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.005 17.578 0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.190 18.465 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.969 18.774 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.935 17.960 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.787 17.101 2.755 1.00 0.00 H new ATOM 727 N GLN A 44 -17.007 12.440 1.524 1.00 0.00 N ATOM 728 CA GLN A 44 -16.158 11.427 0.920 1.00 0.00 C ATOM 729 C GLN A 44 -15.693 10.424 1.977 1.00 0.00 C ATOM 730 O GLN A 44 -14.760 10.699 2.731 1.00 0.00 O ATOM 731 CB GLN A 44 -14.965 12.066 0.207 1.00 0.00 C ATOM 732 CG GLN A 44 -15.343 12.509 -1.208 1.00 0.00 C ATOM 733 CD GLN A 44 -15.867 13.947 -1.211 1.00 0.00 C ATOM 734 OE1 GLN A 44 -14.914 14.869 -1.115 1.00 0.00 O flip ATOM 735 NE2 GLN A 44 -17.057 14.201 -1.294 1.00 0.00 N flip ATOM 0 H GLN A 44 -17.975 12.433 1.203 1.00 0.00 H new ATOM 0 HA GLN A 44 -16.742 10.891 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -14.613 12.925 0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.141 11.354 0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.473 12.434 -1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -16.103 11.840 -1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -17.736 13.444 -1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -17.373 15.171 -1.292 1.00 0.00 H new ATOM 744 N CYS A 45 -16.364 9.282 2.000 1.00 0.00 N ATOM 745 CA CYS A 45 -16.031 8.237 2.953 1.00 0.00 C ATOM 746 C CYS A 45 -14.813 7.477 2.425 1.00 0.00 C ATOM 747 O CYS A 45 -14.851 6.921 1.328 1.00 0.00 O ATOM 748 CB CYS A 45 -17.218 7.306 3.209 1.00 0.00 C ATOM 749 SG CYS A 45 -17.580 6.326 1.707 1.00 0.00 S ATOM 0 H CYS A 45 -17.137 9.057 1.374 1.00 0.00 H new ATOM 0 HA CYS A 45 -15.790 8.684 3.918 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -16.995 6.640 4.043 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -18.094 7.890 3.492 1.00 0.00 H new ATOM 0 HG CYS A 45 -16.516 6.265 0.962 1.00 0.00 H new ATOM 755 N ARG A 46 -13.761 7.476 3.231 1.00 0.00 N ATOM 756 CA ARG A 46 -12.534 6.792 2.859 1.00 0.00 C ATOM 757 C ARG A 46 -11.928 7.433 1.608 1.00 0.00 C ATOM 758 O ARG A 46 -12.215 7.011 0.489 1.00 0.00 O ATOM 759 CB ARG A 46 -12.790 5.308 2.590 1.00 0.00 C ATOM 760 CG ARG A 46 -13.414 4.629 3.811 1.00 0.00 C ATOM 761 CD ARG A 46 -14.112 3.326 3.417 1.00 0.00 C ATOM 762 NE ARG A 46 -15.503 3.325 3.921 1.00 0.00 N ATOM 763 CZ ARG A 46 -16.383 2.340 3.694 1.00 0.00 C ATOM 764 NH1 ARG A 46 -16.022 1.271 2.972 1.00 0.00 N ATOM 765 NH2 ARG A 46 -17.625 2.424 4.190 1.00 0.00 N ATOM 0 H ARG A 46 -13.733 7.938 4.140 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.838 6.883 3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.452 5.199 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.853 4.814 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.641 4.422 4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.131 5.303 4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.109 3.216 2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.568 2.474 3.825 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.811 4.124 4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.077 1.206 2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.692 0.522 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.901 3.238 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.295 1.674 4.017 1.00 0.00 H new ATOM 779 N GLU A 47 -11.101 8.441 1.841 1.00 0.00 N ATOM 780 CA GLU A 47 -10.452 9.144 0.747 1.00 0.00 C ATOM 781 C GLU A 47 -9.393 10.107 1.289 1.00 0.00 C ATOM 782 O GLU A 47 -9.301 11.249 0.842 1.00 0.00 O ATOM 783 CB GLU A 47 -11.477 9.884 -0.114 1.00 0.00 C ATOM 784 CG GLU A 47 -11.474 9.353 -1.549 1.00 0.00 C ATOM 785 CD GLU A 47 -12.081 10.374 -2.513 1.00 0.00 C ATOM 786 OE1 GLU A 47 -11.344 11.312 -2.884 1.00 0.00 O ATOM 787 OE2 GLU A 47 -13.269 10.193 -2.857 1.00 0.00 O ATOM 0 H GLU A 47 -10.865 8.788 2.771 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.956 8.410 0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.471 9.769 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.252 10.951 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.453 9.123 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.039 8.422 -1.597 1.00 0.00 H new ATOM 794 N ARG A 48 -8.621 9.611 2.245 1.00 0.00 N ATOM 795 CA ARG A 48 -7.573 10.413 2.852 1.00 0.00 C ATOM 796 C ARG A 48 -6.828 9.598 3.911 1.00 0.00 C ATOM 797 O ARG A 48 -5.611 9.718 4.049 1.00 0.00 O ATOM 798 CB ARG A 48 -8.150 11.673 3.501 1.00 0.00 C ATOM 799 CG ARG A 48 -7.141 12.823 3.457 1.00 0.00 C ATOM 800 CD ARG A 48 -6.956 13.443 4.844 1.00 0.00 C ATOM 801 NE ARG A 48 -5.911 14.489 4.795 1.00 0.00 N ATOM 802 CZ ARG A 48 -6.117 15.736 4.349 1.00 0.00 C ATOM 803 NH1 ARG A 48 -7.330 16.099 3.910 1.00 0.00 N ATOM 804 NH2 ARG A 48 -5.109 16.619 4.341 1.00 0.00 N ATOM 0 H ARG A 48 -8.701 8.663 2.614 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.882 10.708 2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.064 11.966 2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.422 11.462 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.183 12.457 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.483 13.585 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.897 13.873 5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.677 12.672 5.562 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.975 14.246 5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.097 15.426 3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.487 17.048 3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.186 16.342 4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.265 17.568 4.002 1.00 0.00 H new ATOM 818 N TRP A 49 -7.588 8.788 4.632 1.00 0.00 N ATOM 819 CA TRP A 49 -7.015 7.953 5.674 1.00 0.00 C ATOM 820 C TRP A 49 -7.023 6.506 5.179 1.00 0.00 C ATOM 821 O TRP A 49 -6.147 5.719 5.534 1.00 0.00 O ATOM 822 CB TRP A 49 -7.762 8.137 6.997 1.00 0.00 C ATOM 823 CG TRP A 49 -9.002 9.028 6.893 1.00 0.00 C ATOM 824 CD1 TRP A 49 -10.148 8.775 6.247 1.00 0.00 C ATOM 825 CD2 TRP A 49 -9.174 10.334 7.482 1.00 0.00 C ATOM 826 NE1 TRP A 49 -11.042 9.817 6.376 1.00 0.00 N ATOM 827 CE2 TRP A 49 -10.431 10.796 7.151 1.00 0.00 C ATOM 828 CE3 TRP A 49 -8.296 11.100 8.270 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -10.925 12.039 7.564 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -8.804 12.340 8.674 1.00 0.00 C ATOM 831 CH2 TRP A 49 -10.067 12.819 8.349 1.00 0.00 C ATOM 0 H TRP A 49 -8.597 8.692 4.515 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.985 8.245 5.879 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.061 7.158 7.373 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.080 8.566 7.731 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -10.347 7.869 5.694 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.979 9.861 5.976 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.308 10.758 8.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -11.914 12.378 7.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.170 12.969 9.281 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.386 13.789 8.700 1.00 0.00 H new ATOM 842 N HIS A 50 -8.024 6.198 4.367 1.00 0.00 N ATOM 843 CA HIS A 50 -8.158 4.858 3.819 1.00 0.00 C ATOM 844 C HIS A 50 -7.206 4.691 2.633 1.00 0.00 C ATOM 845 O HIS A 50 -6.557 3.655 2.494 1.00 0.00 O ATOM 846 CB HIS A 50 -9.614 4.563 3.457 1.00 0.00 C ATOM 847 CG HIS A 50 -10.111 3.226 3.952 1.00 0.00 C ATOM 848 ND1 HIS A 50 -10.711 2.877 5.127 1.00 0.00 N flip ATOM 849 CD2 HIS A 50 -10.013 2.065 3.204 1.00 0.00 C flip ATOM 850 CE1 HIS A 50 -10.966 1.575 5.097 1.00 0.00 C flip ATOM 851 NE2 HIS A 50 -10.533 1.070 3.906 1.00 0.00 N flip ATOM 0 H HIS A 50 -8.750 6.853 4.075 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.876 4.123 4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.247 5.349 3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.723 4.601 2.373 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.585 1.985 2.216 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -11.439 1.008 5.886 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -10.598 0.097 3.608 1.00 0.00 H new ATOM 859 N ASN A 51 -7.151 5.727 1.809 1.00 0.00 N ATOM 860 CA ASN A 51 -6.290 5.708 0.639 1.00 0.00 C ATOM 861 C ASN A 51 -5.155 6.716 0.830 1.00 0.00 C ATOM 862 O ASN A 51 -5.292 7.885 0.471 1.00 0.00 O ATOM 863 CB ASN A 51 -7.063 6.099 -0.622 1.00 0.00 C ATOM 864 CG ASN A 51 -8.432 5.416 -0.659 1.00 0.00 C ATOM 865 OD1 ASN A 51 -9.329 5.958 0.159 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -8.658 4.461 -1.384 1.00 0.00 N flip ATOM 0 H ASN A 51 -7.689 6.585 1.929 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.902 4.696 0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.191 7.181 -0.654 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.489 5.820 -1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.923 4.094 -1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.582 4.029 -1.386 1.00 0.00 H new ATOM 873 N HIS A 52 -4.061 6.228 1.396 1.00 0.00 N ATOM 874 CA HIS A 52 -2.904 7.072 1.639 1.00 0.00 C ATOM 875 C HIS A 52 -1.676 6.198 1.898 1.00 0.00 C ATOM 876 O HIS A 52 -0.718 6.221 1.126 1.00 0.00 O ATOM 877 CB HIS A 52 -3.180 8.058 2.776 1.00 0.00 C ATOM 878 CG HIS A 52 -3.055 9.509 2.375 1.00 0.00 C ATOM 879 ND1 HIS A 52 -3.541 10.179 1.291 1.00 0.00 N flip ATOM 880 CD2 HIS A 52 -2.360 10.438 3.130 1.00 0.00 C flip ATOM 881 CE1 HIS A 52 -3.166 11.449 1.380 1.00 0.00 C flip ATOM 882 NE2 HIS A 52 -2.433 11.611 2.519 1.00 0.00 N flip ATOM 0 H HIS A 52 -3.952 5.258 1.693 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.698 7.675 0.755 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.185 7.883 3.159 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.488 7.857 3.594 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.098 9.773 0.539 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.846 10.240 4.059 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.402 12.226 0.668 1.00 0.00 H new ATOM 890 N LEU A 53 -1.743 5.446 2.987 1.00 0.00 N ATOM 891 CA LEU A 53 -0.648 4.565 3.357 1.00 0.00 C ATOM 892 C LEU A 53 -0.509 3.462 2.306 1.00 0.00 C ATOM 893 O LEU A 53 -1.169 2.428 2.395 1.00 0.00 O ATOM 894 CB LEU A 53 -0.843 4.038 4.780 1.00 0.00 C ATOM 895 CG LEU A 53 0.341 3.278 5.382 1.00 0.00 C ATOM 896 CD1 LEU A 53 1.347 4.242 6.013 1.00 0.00 C ATOM 897 CD2 LEU A 53 -0.136 2.216 6.375 1.00 0.00 C ATOM 0 H LEU A 53 -2.539 5.429 3.625 1.00 0.00 H new ATOM 0 HA LEU A 53 0.294 5.113 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.076 4.882 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.712 3.381 4.787 1.00 0.00 H new ATOM 0 HG LEU A 53 0.857 2.756 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.179 3.676 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.722 4.926 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.859 4.811 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.725 1.691 6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.690 2.695 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.784 1.504 5.863 1.00 0.00 H new ATOM 909 N ASN A 54 0.354 3.720 1.335 1.00 0.00 N ATOM 910 CA ASN A 54 0.589 2.762 0.268 1.00 0.00 C ATOM 911 C ASN A 54 1.817 3.191 -0.536 1.00 0.00 C ATOM 912 O ASN A 54 1.707 3.521 -1.716 1.00 0.00 O ATOM 913 CB ASN A 54 -0.604 2.699 -0.688 1.00 0.00 C ATOM 914 CG ASN A 54 -0.643 1.362 -1.430 1.00 0.00 C ATOM 915 OD1 ASN A 54 -0.094 1.204 -2.508 1.00 0.00 O ATOM 916 ND2 ASN A 54 -1.320 0.410 -0.794 1.00 0.00 N ATOM 0 H ASN A 54 0.899 4.579 1.265 1.00 0.00 H new ATOM 0 HA ASN A 54 0.740 1.782 0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.530 2.836 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.542 3.516 -1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.403 -0.519 -1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.756 0.609 0.106 1.00 0.00 H new ATOM 923 N PRO A 55 2.990 3.172 0.152 1.00 0.00 N ATOM 924 CA PRO A 55 4.238 3.555 -0.486 1.00 0.00 C ATOM 925 C PRO A 55 4.733 2.455 -1.428 1.00 0.00 C ATOM 926 O PRO A 55 3.948 1.628 -1.889 1.00 0.00 O ATOM 927 CB PRO A 55 5.198 3.830 0.660 1.00 0.00 C ATOM 928 CG PRO A 55 4.598 3.147 1.879 1.00 0.00 C ATOM 929 CD PRO A 55 3.159 2.786 1.550 1.00 0.00 C ATOM 0 HA PRO A 55 4.132 4.435 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.191 3.437 0.441 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.309 4.901 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.167 2.253 2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.637 3.808 2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.976 1.721 1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.460 3.318 2.195 1.00 0.00 H new ATOM 937 N GLU A 56 6.032 2.482 -1.687 1.00 0.00 N ATOM 938 CA GLU A 56 6.640 1.497 -2.565 1.00 0.00 C ATOM 939 C GLU A 56 8.011 1.080 -2.027 1.00 0.00 C ATOM 940 O GLU A 56 8.382 1.447 -0.914 1.00 0.00 O ATOM 941 CB GLU A 56 6.753 2.033 -3.994 1.00 0.00 C ATOM 942 CG GLU A 56 6.111 1.068 -4.993 1.00 0.00 C ATOM 943 CD GLU A 56 6.850 1.094 -6.333 1.00 0.00 C ATOM 944 OE1 GLU A 56 8.061 0.786 -6.319 1.00 0.00 O ATOM 945 OE2 GLU A 56 6.187 1.422 -7.340 1.00 0.00 O ATOM 0 H GLU A 56 6.680 3.170 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 56 5.998 0.616 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.268 3.007 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.802 2.181 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.123 0.057 -4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.066 1.338 -5.145 1.00 0.00 H new ATOM 952 N VAL A 57 8.724 0.318 -2.843 1.00 0.00 N ATOM 953 CA VAL A 57 10.045 -0.153 -2.463 1.00 0.00 C ATOM 954 C VAL A 57 10.995 1.041 -2.351 1.00 0.00 C ATOM 955 O VAL A 57 11.784 1.126 -1.410 1.00 0.00 O ATOM 956 CB VAL A 57 10.529 -1.211 -3.456 1.00 0.00 C ATOM 957 CG1 VAL A 57 12.054 -1.185 -3.584 1.00 0.00 C ATOM 958 CG2 VAL A 57 10.036 -2.603 -3.059 1.00 0.00 C ATOM 0 H VAL A 57 8.412 0.015 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 57 10.012 -0.635 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 57 10.106 -0.973 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.372 -1.947 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.373 -0.204 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.504 -1.386 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.394 -3.336 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.415 -2.855 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.946 -2.612 -3.043 1.00 0.00 H new ATOM 968 N LYS A 58 10.889 1.935 -3.323 1.00 0.00 N ATOM 969 CA LYS A 58 11.728 3.120 -3.345 1.00 0.00 C ATOM 970 C LYS A 58 11.369 3.972 -4.565 1.00 0.00 C ATOM 971 O LYS A 58 12.098 3.982 -5.556 1.00 0.00 O ATOM 972 CB LYS A 58 13.207 2.731 -3.281 1.00 0.00 C ATOM 973 CG LYS A 58 14.105 3.956 -3.463 1.00 0.00 C ATOM 974 CD LYS A 58 15.577 3.592 -3.261 1.00 0.00 C ATOM 975 CE LYS A 58 16.131 2.854 -4.481 1.00 0.00 C ATOM 976 NZ LYS A 58 17.512 3.301 -4.774 1.00 0.00 N ATOM 0 H LYS A 58 10.234 1.862 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 58 11.544 3.733 -2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.421 2.258 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.427 1.996 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.963 4.370 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.818 4.731 -2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.158 4.497 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.682 2.967 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.121 1.779 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.492 3.037 -5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.873 2.790 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.512 4.323 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.122 3.104 -3.955 1.00 0.00 H new ATOM 990 N LYS A 59 10.246 4.665 -4.453 1.00 0.00 N ATOM 991 CA LYS A 59 9.781 5.517 -5.534 1.00 0.00 C ATOM 992 C LYS A 59 10.128 4.867 -6.875 1.00 0.00 C ATOM 993 O LYS A 59 10.143 3.643 -6.990 1.00 0.00 O ATOM 994 CB LYS A 59 10.335 6.934 -5.375 1.00 0.00 C ATOM 995 CG LYS A 59 11.848 6.960 -5.607 1.00 0.00 C ATOM 996 CD LYS A 59 12.605 7.008 -4.278 1.00 0.00 C ATOM 997 CE LYS A 59 13.188 8.400 -4.028 1.00 0.00 C ATOM 998 NZ LYS A 59 13.065 8.765 -2.599 1.00 0.00 N ATOM 0 H LYS A 59 9.644 4.654 -3.630 1.00 0.00 H new ATOM 0 HA LYS A 59 8.696 5.618 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.843 7.602 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.110 7.306 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.149 6.076 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.112 7.828 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.933 6.740 -3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.407 6.270 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.236 8.420 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.668 9.134 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.466 9.713 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.061 8.765 -2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.581 8.074 -2.018 1.00 0.00 H new ATOM 1012 N SER A 60 10.400 5.717 -7.855 1.00 0.00 N ATOM 1013 CA SER A 60 10.746 5.240 -9.183 1.00 0.00 C ATOM 1014 C SER A 60 11.737 4.079 -9.081 1.00 0.00 C ATOM 1015 O SER A 60 12.275 3.810 -8.008 1.00 0.00 O ATOM 1016 CB SER A 60 11.335 6.366 -10.036 1.00 0.00 C ATOM 1017 OG SER A 60 12.646 6.729 -9.610 1.00 0.00 O ATOM 0 H SER A 60 10.388 6.732 -7.756 1.00 0.00 H new ATOM 0 HA SER A 60 9.835 4.890 -9.669 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.367 6.052 -11.079 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.683 7.238 -9.986 1.00 0.00 H new ATOM 0 HG SER A 60 12.988 7.449 -10.180 1.00 0.00 H new ATOM 1023 N SER A 61 11.947 3.421 -10.212 1.00 0.00 N ATOM 1024 CA SER A 61 12.864 2.295 -10.263 1.00 0.00 C ATOM 1025 C SER A 61 12.096 0.986 -10.064 1.00 0.00 C ATOM 1026 O SER A 61 10.939 0.874 -10.466 1.00 0.00 O ATOM 1027 CB SER A 61 13.963 2.431 -9.208 1.00 0.00 C ATOM 1028 OG SER A 61 14.399 3.779 -9.062 1.00 0.00 O ATOM 0 H SER A 61 11.498 3.646 -11.100 1.00 0.00 H new ATOM 0 HA SER A 61 13.339 2.285 -11.244 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.594 2.064 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.811 1.804 -9.485 1.00 0.00 H new ATOM 0 HG SER A 61 14.004 4.165 -8.253 1.00 0.00 H new ATOM 1034 N TRP A 62 12.771 0.030 -9.444 1.00 0.00 N ATOM 1035 CA TRP A 62 12.166 -1.266 -9.187 1.00 0.00 C ATOM 1036 C TRP A 62 10.944 -1.049 -8.293 1.00 0.00 C ATOM 1037 O TRP A 62 10.714 0.058 -7.808 1.00 0.00 O ATOM 1038 CB TRP A 62 13.184 -2.236 -8.583 1.00 0.00 C ATOM 1039 CG TRP A 62 14.503 -2.314 -9.354 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.629 -1.621 -9.136 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.789 -3.166 -10.484 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.615 -1.962 -10.039 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.088 -2.932 -10.884 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.976 -4.104 -11.145 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.690 -3.595 -11.960 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.592 -4.758 -12.218 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.899 -4.534 -12.634 1.00 0.00 C ATOM 0 H TRP A 62 13.731 0.126 -9.112 1.00 0.00 H new ATOM 0 HA TRP A 62 11.838 -1.730 -10.117 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.392 -1.935 -7.556 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.741 -3.231 -8.540 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.750 -0.888 -8.352 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.557 -1.574 -10.079 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.957 -4.304 -10.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.709 -3.393 -12.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.011 -5.488 -12.761 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.303 -5.081 -13.473 1.00 0.00 H new ATOM 1058 N THR A 63 10.192 -2.123 -8.101 1.00 0.00 N ATOM 1059 CA THR A 63 8.999 -2.064 -7.274 1.00 0.00 C ATOM 1060 C THR A 63 8.950 -3.261 -6.323 1.00 0.00 C ATOM 1061 O THR A 63 9.981 -3.856 -6.014 1.00 0.00 O ATOM 1062 CB THR A 63 7.785 -1.974 -8.201 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.915 -3.107 -9.055 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.863 -0.779 -9.153 1.00 0.00 C ATOM 0 H THR A 63 10.386 -3.040 -8.504 1.00 0.00 H new ATOM 0 HA THR A 63 9.004 -1.181 -6.635 1.00 0.00 H new ATOM 0 HB THR A 63 6.876 -1.903 -7.603 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.326 -3.824 -8.739 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.978 -0.762 -9.788 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.913 0.144 -8.575 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.754 -0.867 -9.775 1.00 0.00 H new ATOM 1072 N GLU A 64 7.740 -3.578 -5.885 1.00 0.00 N ATOM 1073 CA GLU A 64 7.543 -4.694 -4.975 1.00 0.00 C ATOM 1074 C GLU A 64 7.585 -6.018 -5.741 1.00 0.00 C ATOM 1075 O GLU A 64 8.615 -6.690 -5.768 1.00 0.00 O ATOM 1076 CB GLU A 64 6.229 -4.548 -4.205 1.00 0.00 C ATOM 1077 CG GLU A 64 6.426 -3.718 -2.935 1.00 0.00 C ATOM 1078 CD GLU A 64 7.024 -4.569 -1.812 1.00 0.00 C ATOM 1079 OE1 GLU A 64 7.997 -5.296 -2.108 1.00 0.00 O ATOM 1080 OE2 GLU A 64 6.495 -4.472 -0.684 1.00 0.00 O ATOM 0 H GLU A 64 6.887 -3.082 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 64 8.355 -4.692 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.482 -4.074 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.845 -5.534 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.083 -2.874 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.470 -3.305 -2.614 1.00 0.00 H new ATOM 1087 N GLU A 65 6.454 -6.352 -6.344 1.00 0.00 N ATOM 1088 CA GLU A 65 6.349 -7.583 -7.108 1.00 0.00 C ATOM 1089 C GLU A 65 7.599 -7.783 -7.968 1.00 0.00 C ATOM 1090 O GLU A 65 8.076 -8.905 -8.125 1.00 0.00 O ATOM 1091 CB GLU A 65 5.085 -7.588 -7.970 1.00 0.00 C ATOM 1092 CG GLU A 65 4.690 -6.166 -8.371 1.00 0.00 C ATOM 1093 CD GLU A 65 4.216 -6.118 -9.825 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.142 -6.700 -10.091 1.00 0.00 O ATOM 1095 OE2 GLU A 65 4.938 -5.500 -10.637 1.00 0.00 O ATOM 0 H GLU A 65 5.602 -5.791 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 65 6.276 -8.416 -6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.253 -8.189 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.268 -8.055 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.898 -5.806 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.541 -5.498 -8.240 1.00 0.00 H new ATOM 1102 N GLU A 66 8.094 -6.675 -8.501 1.00 0.00 N ATOM 1103 CA GLU A 66 9.279 -6.714 -9.341 1.00 0.00 C ATOM 1104 C GLU A 66 10.478 -7.231 -8.543 1.00 0.00 C ATOM 1105 O GLU A 66 11.277 -8.015 -9.053 1.00 0.00 O ATOM 1106 CB GLU A 66 9.572 -5.338 -9.941 1.00 0.00 C ATOM 1107 CG GLU A 66 8.585 -5.008 -11.063 1.00 0.00 C ATOM 1108 CD GLU A 66 9.183 -3.991 -12.037 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.419 -4.038 -12.220 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.391 -3.189 -12.578 1.00 0.00 O ATOM 0 H GLU A 66 7.696 -5.745 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 66 9.093 -7.401 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.511 -4.577 -9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.590 -5.316 -10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.321 -5.919 -11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.664 -4.611 -10.637 1.00 0.00 H new ATOM 1117 N ASP A 67 10.567 -6.769 -7.304 1.00 0.00 N ATOM 1118 CA ASP A 67 11.655 -7.174 -6.431 1.00 0.00 C ATOM 1119 C ASP A 67 11.626 -8.694 -6.258 1.00 0.00 C ATOM 1120 O ASP A 67 12.622 -9.371 -6.509 1.00 0.00 O ATOM 1121 CB ASP A 67 11.517 -6.538 -5.046 1.00 0.00 C ATOM 1122 CG ASP A 67 12.838 -6.268 -4.323 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.403 -7.247 -3.790 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.253 -5.089 -4.320 1.00 0.00 O ATOM 0 H ASP A 67 9.903 -6.118 -6.884 1.00 0.00 H new ATOM 0 HA ASP A 67 12.590 -6.848 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.977 -5.597 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.906 -7.191 -4.423 1.00 0.00 H new ATOM 1129 N ARG A 68 10.473 -9.186 -5.829 1.00 0.00 N ATOM 1130 CA ARG A 68 10.300 -10.614 -5.619 1.00 0.00 C ATOM 1131 C ARG A 68 10.653 -11.384 -6.893 1.00 0.00 C ATOM 1132 O ARG A 68 11.590 -12.180 -6.902 1.00 0.00 O ATOM 1133 CB ARG A 68 8.861 -10.941 -5.215 1.00 0.00 C ATOM 1134 CG ARG A 68 8.670 -10.798 -3.704 1.00 0.00 C ATOM 1135 CD ARG A 68 8.239 -12.126 -3.078 1.00 0.00 C ATOM 1136 NE ARG A 68 9.380 -13.067 -3.052 1.00 0.00 N ATOM 1137 CZ ARG A 68 9.319 -14.309 -2.553 1.00 0.00 C ATOM 1138 NH1 ARG A 68 8.171 -14.767 -2.034 1.00 0.00 N ATOM 1139 NH2 ARG A 68 10.405 -15.094 -2.572 1.00 0.00 N ATOM 0 H ARG A 68 9.649 -8.621 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 68 10.968 -10.914 -4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.173 -10.276 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.615 -11.958 -5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.600 -10.461 -3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.919 -10.035 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.872 -11.958 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.415 -12.556 -3.648 1.00 0.00 H new ATOM 0 HE ARG A 68 10.269 -12.750 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.344 -14.170 -2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.124 -15.712 -1.654 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.279 -14.746 -2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.358 -16.039 -2.192 1.00 0.00 H new ATOM 1153 N ILE A 69 9.883 -11.119 -7.939 1.00 0.00 N ATOM 1154 CA ILE A 69 10.103 -11.777 -9.215 1.00 0.00 C ATOM 1155 C ILE A 69 11.600 -12.023 -9.407 1.00 0.00 C ATOM 1156 O ILE A 69 12.014 -13.136 -9.727 1.00 0.00 O ATOM 1157 CB ILE A 69 9.461 -10.975 -10.349 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.938 -10.955 -10.213 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.908 -11.501 -11.714 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.322 -9.871 -11.101 1.00 0.00 C ATOM 0 H ILE A 69 9.106 -10.458 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 69 9.616 -12.752 -9.229 1.00 0.00 H new ATOM 0 HB ILE A 69 9.804 -9.943 -10.274 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.532 -11.929 -10.487 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.665 -10.777 -9.173 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.437 -10.914 -12.502 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.992 -11.419 -11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.614 -12.546 -11.815 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.238 -9.878 -10.985 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.712 -8.896 -10.808 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.577 -10.066 -12.143 1.00 0.00 H new ATOM 1172 N ILE A 70 12.372 -10.966 -9.202 1.00 0.00 N ATOM 1173 CA ILE A 70 13.815 -11.053 -9.348 1.00 0.00 C ATOM 1174 C ILE A 70 14.345 -12.188 -8.470 1.00 0.00 C ATOM 1175 O ILE A 70 14.857 -13.184 -8.978 1.00 0.00 O ATOM 1176 CB ILE A 70 14.466 -9.698 -9.061 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.755 -8.576 -9.821 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.965 -9.735 -9.362 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.664 -7.984 -10.899 1.00 0.00 C ATOM 0 H ILE A 70 12.025 -10.044 -8.936 1.00 0.00 H new ATOM 0 HA ILE A 70 14.079 -11.296 -10.377 1.00 0.00 H new ATOM 0 HB ILE A 70 14.357 -9.485 -7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.845 -8.962 -10.280 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.454 -7.794 -9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.403 -8.760 -9.150 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.443 -10.491 -8.739 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.119 -9.981 -10.413 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.135 -7.189 -11.424 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.562 -7.577 -10.434 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.944 -8.764 -11.608 1.00 0.00 H new ATOM 1191 N PHE A 71 14.203 -12.000 -7.166 1.00 0.00 N ATOM 1192 CA PHE A 71 14.660 -12.996 -6.212 1.00 0.00 C ATOM 1193 C PHE A 71 13.930 -14.325 -6.414 1.00 0.00 C ATOM 1194 O PHE A 71 14.339 -15.351 -5.873 1.00 0.00 O ATOM 1195 CB PHE A 71 14.340 -12.458 -4.816 1.00 0.00 C ATOM 1196 CG PHE A 71 14.464 -13.502 -3.704 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.551 -14.505 -3.608 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.487 -13.426 -2.811 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.666 -15.474 -2.576 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.602 -14.394 -1.779 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.689 -15.398 -1.683 1.00 0.00 C ATOM 0 H PHE A 71 13.778 -11.172 -6.748 1.00 0.00 H new ATOM 0 HA PHE A 71 15.727 -13.175 -6.344 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.009 -11.626 -4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.325 -12.060 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.738 -14.565 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.212 -12.629 -2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.941 -16.271 -2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.414 -14.333 -1.070 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.777 -16.134 -0.898 1.00 0.00 H new ATOM 1211 N GLU A 72 12.861 -14.263 -7.194 1.00 0.00 N ATOM 1212 CA GLU A 72 12.070 -15.449 -7.474 1.00 0.00 C ATOM 1213 C GLU A 72 12.534 -16.101 -8.778 1.00 0.00 C ATOM 1214 O GLU A 72 12.163 -17.236 -9.076 1.00 0.00 O ATOM 1215 CB GLU A 72 10.578 -15.113 -7.530 1.00 0.00 C ATOM 1216 CG GLU A 72 9.933 -15.688 -8.792 1.00 0.00 C ATOM 1217 CD GLU A 72 8.455 -15.300 -8.878 1.00 0.00 C ATOM 1218 OE1 GLU A 72 7.654 -15.958 -8.180 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.160 -14.354 -9.640 1.00 0.00 O ATOM 0 H GLU A 72 12.524 -13.410 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 72 12.218 -16.160 -6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.078 -15.513 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.444 -14.031 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.460 -15.323 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.028 -16.774 -8.791 1.00 0.00 H new ATOM 1226 N ALA A 73 13.338 -15.356 -9.521 1.00 0.00 N ATOM 1227 CA ALA A 73 13.857 -15.847 -10.787 1.00 0.00 C ATOM 1228 C ALA A 73 15.365 -16.070 -10.663 1.00 0.00 C ATOM 1229 O ALA A 73 15.961 -16.778 -11.473 1.00 0.00 O ATOM 1230 CB ALA A 73 13.503 -14.861 -11.901 1.00 0.00 C ATOM 0 H ALA A 73 13.643 -14.415 -9.271 1.00 0.00 H new ATOM 0 HA ALA A 73 13.402 -16.804 -11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.892 -15.229 -12.850 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.420 -14.761 -11.967 1.00 0.00 H new ATOM 0 HB3 ALA A 73 13.944 -13.889 -11.680 1.00 0.00 H new ATOM 1236 N HIS A 74 15.941 -15.451 -9.642 1.00 0.00 N ATOM 1237 CA HIS A 74 17.368 -15.573 -9.401 1.00 0.00 C ATOM 1238 C HIS A 74 17.670 -16.941 -8.786 1.00 0.00 C ATOM 1239 O HIS A 74 18.786 -17.446 -8.904 1.00 0.00 O ATOM 1240 CB HIS A 74 17.876 -14.412 -8.544 1.00 0.00 C ATOM 1241 CG HIS A 74 19.380 -14.285 -8.510 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.132 -14.571 -7.384 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.264 -13.901 -9.475 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.409 -14.364 -7.669 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.489 -13.948 -8.966 1.00 0.00 N ATOM 0 H HIS A 74 15.444 -14.863 -8.972 1.00 0.00 H new ATOM 0 HA HIS A 74 17.906 -15.512 -10.347 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.452 -13.482 -8.922 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.509 -14.538 -7.525 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.010 -13.608 -10.483 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.241 -14.501 -6.994 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.348 -13.712 -9.462 1.00 0.00 H new ATOM 1253 N LYS A 75 16.657 -17.502 -8.143 1.00 0.00 N ATOM 1254 CA LYS A 75 16.800 -18.801 -7.509 1.00 0.00 C ATOM 1255 C LYS A 75 16.289 -19.886 -8.459 1.00 0.00 C ATOM 1256 O LYS A 75 16.114 -21.036 -8.058 1.00 0.00 O ATOM 1257 CB LYS A 75 16.113 -18.809 -6.142 1.00 0.00 C ATOM 1258 CG LYS A 75 14.606 -18.587 -6.284 1.00 0.00 C ATOM 1259 CD LYS A 75 13.878 -18.913 -4.978 1.00 0.00 C ATOM 1260 CE LYS A 75 13.373 -20.357 -4.978 1.00 0.00 C ATOM 1261 NZ LYS A 75 14.431 -21.276 -4.502 1.00 0.00 N ATOM 0 H LYS A 75 15.733 -17.080 -8.047 1.00 0.00 H new ATOM 0 HA LYS A 75 17.851 -19.015 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.299 -19.760 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.541 -18.030 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.412 -17.552 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.217 -19.212 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.551 -18.759 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.039 -18.230 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.495 -20.441 -4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.063 -20.640 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.996 -22.148 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.069 -21.509 -5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.973 -20.817 -3.742 1.00 0.00 H new ATOM 1275 N VAL A 76 16.065 -19.483 -9.701 1.00 0.00 N ATOM 1276 CA VAL A 76 15.578 -20.406 -10.712 1.00 0.00 C ATOM 1277 C VAL A 76 16.670 -20.629 -11.761 1.00 0.00 C ATOM 1278 O VAL A 76 16.692 -21.662 -12.429 1.00 0.00 O ATOM 1279 CB VAL A 76 14.271 -19.885 -11.311 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.439 -21.030 -11.892 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.469 -19.096 -10.274 1.00 0.00 C ATOM 0 H VAL A 76 16.212 -18.529 -10.030 1.00 0.00 H new ATOM 0 HA VAL A 76 15.352 -21.375 -10.267 1.00 0.00 H new ATOM 0 HB VAL A 76 14.523 -19.207 -12.126 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.515 -20.632 -12.311 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.007 -21.531 -12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.201 -21.744 -11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.544 -18.737 -10.726 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.233 -19.742 -9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.058 -18.246 -9.928 1.00 0.00 H new ATOM 1291 N LEU A 77 17.548 -19.643 -11.873 1.00 0.00 N ATOM 1292 CA LEU A 77 18.639 -19.718 -12.830 1.00 0.00 C ATOM 1293 C LEU A 77 19.971 -19.585 -12.089 1.00 0.00 C ATOM 1294 O LEU A 77 20.804 -20.488 -12.135 1.00 0.00 O ATOM 1295 CB LEU A 77 18.448 -18.686 -13.943 1.00 0.00 C ATOM 1296 CG LEU A 77 17.007 -18.450 -14.399 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.659 -16.960 -14.371 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.759 -19.071 -15.776 1.00 0.00 C ATOM 0 H LEU A 77 17.526 -18.788 -11.317 1.00 0.00 H new ATOM 0 HA LEU A 77 18.645 -20.689 -13.326 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.861 -17.736 -13.605 1.00 0.00 H new ATOM 0 HB3 LEU A 77 19.035 -19.000 -14.807 1.00 0.00 H new ATOM 0 HG LEU A 77 16.340 -18.949 -13.696 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.629 -16.821 -14.700 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.770 -16.579 -13.356 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.329 -16.417 -15.038 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.727 -18.889 -16.077 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.434 -18.622 -16.505 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.939 -20.145 -15.729 1.00 0.00 H new ATOM 1310 N GLY A 78 20.130 -18.451 -11.423 1.00 0.00 N ATOM 1311 CA GLY A 78 21.347 -18.187 -10.673 1.00 0.00 C ATOM 1312 C GLY A 78 21.766 -16.722 -10.806 1.00 0.00 C ATOM 1313 O GLY A 78 21.945 -16.031 -9.804 1.00 0.00 O ATOM 0 H GLY A 78 19.436 -17.704 -11.387 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.191 -18.430 -9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.148 -18.832 -11.034 1.00 0.00 H new ATOM 1317 N ASN A 79 21.910 -16.291 -12.050 1.00 0.00 N ATOM 1318 CA ASN A 79 22.305 -14.920 -12.326 1.00 0.00 C ATOM 1319 C ASN A 79 21.948 -14.573 -13.773 1.00 0.00 C ATOM 1320 O ASN A 79 22.555 -13.684 -14.369 1.00 0.00 O ATOM 1321 CB ASN A 79 23.814 -14.736 -12.153 1.00 0.00 C ATOM 1322 CG ASN A 79 24.500 -16.072 -11.864 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.355 -16.657 -10.803 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.253 -16.522 -12.864 1.00 0.00 N ATOM 0 H ASN A 79 21.760 -16.867 -12.879 1.00 0.00 H new ATOM 0 HA ASN A 79 21.781 -14.270 -11.626 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.236 -14.294 -13.056 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.008 -14.040 -11.337 1.00 0.00 H new ATOM 0 HD21 ASN A 79 25.752 -17.406 -12.769 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.331 -15.983 -13.726 1.00 0.00 H new ATOM 1331 N ARG A 80 20.966 -15.292 -14.296 1.00 0.00 N ATOM 1332 CA ARG A 80 20.522 -15.071 -15.662 1.00 0.00 C ATOM 1333 C ARG A 80 19.757 -13.750 -15.764 1.00 0.00 C ATOM 1334 O ARG A 80 18.577 -13.737 -16.110 1.00 0.00 O ATOM 1335 CB ARG A 80 19.622 -16.212 -16.139 1.00 0.00 C ATOM 1336 CG ARG A 80 20.326 -17.058 -17.202 1.00 0.00 C ATOM 1337 CD ARG A 80 21.177 -18.153 -16.556 1.00 0.00 C ATOM 1338 NE ARG A 80 21.213 -19.348 -17.429 1.00 0.00 N ATOM 1339 CZ ARG A 80 22.161 -20.293 -17.370 1.00 0.00 C ATOM 1340 NH1 ARG A 80 23.156 -20.190 -16.478 1.00 0.00 N ATOM 1341 NH2 ARG A 80 22.113 -21.342 -18.202 1.00 0.00 N ATOM 0 H ARG A 80 20.465 -16.028 -13.799 1.00 0.00 H new ATOM 0 HA ARG A 80 21.407 -15.032 -16.297 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.347 -16.841 -15.292 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.697 -15.804 -16.547 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.585 -17.510 -17.862 1.00 0.00 H new ATOM 0 HG3 ARG A 80 20.957 -16.420 -17.821 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.189 -17.786 -16.386 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.766 -18.417 -15.581 1.00 0.00 H new ATOM 0 HE ARG A 80 20.470 -19.459 -18.119 1.00 0.00 H new ATOM 0 HH11 ARG A 80 23.192 -19.392 -15.844 1.00 0.00 H new ATOM 0 HH12 ARG A 80 23.877 -20.910 -16.433 1.00 0.00 H new ATOM 0 HH21 ARG A 80 21.355 -21.421 -18.880 1.00 0.00 H new ATOM 0 HH22 ARG A 80 22.834 -22.062 -18.157 1.00 0.00 H new ATOM 1355 N TRP A 81 20.461 -12.670 -15.457 1.00 0.00 N ATOM 1356 CA TRP A 81 19.862 -11.347 -15.510 1.00 0.00 C ATOM 1357 C TRP A 81 19.282 -11.146 -16.911 1.00 0.00 C ATOM 1358 O TRP A 81 18.225 -10.537 -17.068 1.00 0.00 O ATOM 1359 CB TRP A 81 20.878 -10.270 -15.123 1.00 0.00 C ATOM 1360 CG TRP A 81 21.821 -10.682 -13.991 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.145 -10.880 -14.051 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.456 -10.938 -12.618 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.658 -11.245 -12.823 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.599 -11.281 -11.924 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.203 -10.882 -11.985 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.601 -11.595 -10.560 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.222 -11.199 -10.621 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.363 -11.546 -9.907 1.00 0.00 C ATOM 0 H TRP A 81 21.440 -12.684 -15.171 1.00 0.00 H new ATOM 0 HA TRP A 81 19.054 -11.260 -14.784 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.471 -10.013 -16.001 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.341 -9.369 -14.825 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.736 -10.768 -14.948 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.635 -11.451 -12.614 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.297 -10.616 -12.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.509 -11.861 -10.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.284 -11.172 -10.086 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.295 -11.777 -8.854 1.00 0.00 H new ATOM 1379 N ALA A 82 19.999 -11.671 -17.894 1.00 0.00 N ATOM 1380 CA ALA A 82 19.568 -11.557 -19.277 1.00 0.00 C ATOM 1381 C ALA A 82 18.179 -12.180 -19.427 1.00 0.00 C ATOM 1382 O ALA A 82 17.490 -11.939 -20.417 1.00 0.00 O ATOM 1383 CB ALA A 82 20.604 -12.215 -20.191 1.00 0.00 C ATOM 0 H ALA A 82 20.875 -12.176 -17.760 1.00 0.00 H new ATOM 0 HA ALA A 82 19.493 -10.510 -19.570 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.281 -12.129 -21.228 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.566 -11.717 -20.069 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.705 -13.268 -19.928 1.00 0.00 H new ATOM 1389 N GLU A 83 17.809 -12.970 -18.430 1.00 0.00 N ATOM 1390 CA GLU A 83 16.515 -13.630 -18.439 1.00 0.00 C ATOM 1391 C GLU A 83 15.600 -13.018 -17.376 1.00 0.00 C ATOM 1392 O GLU A 83 14.410 -12.820 -17.616 1.00 0.00 O ATOM 1393 CB GLU A 83 16.667 -15.138 -18.229 1.00 0.00 C ATOM 1394 CG GLU A 83 17.767 -15.708 -19.126 1.00 0.00 C ATOM 1395 CD GLU A 83 17.316 -17.012 -19.786 1.00 0.00 C ATOM 1396 OE1 GLU A 83 16.723 -17.840 -19.061 1.00 0.00 O ATOM 1397 OE2 GLU A 83 17.574 -17.152 -21.001 1.00 0.00 O ATOM 0 H GLU A 83 18.383 -13.168 -17.610 1.00 0.00 H new ATOM 0 HA GLU A 83 16.058 -13.477 -19.416 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.903 -15.341 -17.184 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.722 -15.636 -18.445 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.029 -14.980 -19.893 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.666 -15.887 -18.536 1.00 0.00 H new ATOM 1404 N ILE A 84 16.190 -12.736 -16.224 1.00 0.00 N ATOM 1405 CA ILE A 84 15.443 -12.151 -15.124 1.00 0.00 C ATOM 1406 C ILE A 84 14.604 -10.983 -15.647 1.00 0.00 C ATOM 1407 O ILE A 84 13.457 -10.807 -15.239 1.00 0.00 O ATOM 1408 CB ILE A 84 16.385 -11.767 -13.981 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.129 -12.994 -13.448 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.631 -11.029 -12.873 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.277 -13.752 -12.428 1.00 0.00 C ATOM 0 H ILE A 84 17.177 -12.902 -16.028 1.00 0.00 H new ATOM 0 HA ILE A 84 14.750 -12.880 -14.704 1.00 0.00 H new ATOM 0 HB ILE A 84 17.135 -11.080 -14.373 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.386 -13.655 -14.275 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.066 -12.683 -12.985 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.324 -10.768 -12.073 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.186 -10.121 -13.279 1.00 0.00 H new ATOM 0 HG23 ILE A 84 14.845 -11.672 -12.477 1.00 0.00 H new ATOM 0 HD11 ILE A 84 16.829 -14.619 -12.065 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.042 -13.095 -11.590 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.352 -14.083 -12.901 1.00 0.00 H new ATOM 1423 N ALA A 85 15.209 -10.216 -16.542 1.00 0.00 N ATOM 1424 CA ALA A 85 14.531 -9.070 -17.125 1.00 0.00 C ATOM 1425 C ALA A 85 13.349 -9.556 -17.967 1.00 0.00 C ATOM 1426 O ALA A 85 12.292 -8.928 -17.979 1.00 0.00 O ATOM 1427 CB ALA A 85 15.530 -8.248 -17.942 1.00 0.00 C ATOM 0 H ALA A 85 16.161 -10.365 -16.878 1.00 0.00 H new ATOM 0 HA ALA A 85 14.135 -8.420 -16.345 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.022 -7.388 -18.380 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.334 -7.902 -17.292 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.946 -8.867 -18.737 1.00 0.00 H new ATOM 1433 N LYS A 86 13.569 -10.670 -18.650 1.00 0.00 N ATOM 1434 CA LYS A 86 12.535 -11.247 -19.493 1.00 0.00 C ATOM 1435 C LYS A 86 11.238 -11.368 -18.690 1.00 0.00 C ATOM 1436 O LYS A 86 10.153 -11.442 -19.265 1.00 0.00 O ATOM 1437 CB LYS A 86 13.012 -12.570 -20.095 1.00 0.00 C ATOM 1438 CG LYS A 86 14.279 -12.368 -20.928 1.00 0.00 C ATOM 1439 CD LYS A 86 14.739 -13.686 -21.555 1.00 0.00 C ATOM 1440 CE LYS A 86 16.011 -13.486 -22.381 1.00 0.00 C ATOM 1441 NZ LYS A 86 15.930 -14.243 -23.650 1.00 0.00 N ATOM 0 H LYS A 86 14.447 -11.188 -18.637 1.00 0.00 H new ATOM 0 HA LYS A 86 12.326 -10.595 -20.341 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.207 -13.287 -19.298 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.226 -12.994 -20.719 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.090 -11.635 -21.712 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.072 -11.964 -20.298 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.922 -14.421 -20.771 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.948 -14.086 -22.190 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.152 -12.426 -22.592 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.878 -13.815 -21.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.801 -14.096 -24.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.818 -15.256 -23.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.114 -13.910 -24.202 1.00 0.00 H new ATOM 1455 N LEU A 87 11.394 -11.386 -17.374 1.00 0.00 N ATOM 1456 CA LEU A 87 10.248 -11.497 -16.487 1.00 0.00 C ATOM 1457 C LEU A 87 9.715 -10.098 -16.172 1.00 0.00 C ATOM 1458 O LEU A 87 8.518 -9.921 -15.953 1.00 0.00 O ATOM 1459 CB LEU A 87 10.611 -12.311 -15.244 1.00 0.00 C ATOM 1460 CG LEU A 87 10.774 -13.818 -15.453 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.212 -14.258 -15.172 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.761 -14.601 -14.616 1.00 0.00 C ATOM 0 H LEU A 87 12.296 -11.326 -16.901 1.00 0.00 H new ATOM 0 HA LEU A 87 9.440 -12.044 -16.974 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.542 -11.918 -14.836 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.840 -12.150 -14.491 1.00 0.00 H new ATOM 0 HG LEU A 87 10.567 -14.042 -16.500 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.301 -15.333 -15.328 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.891 -13.736 -15.847 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.471 -14.018 -14.141 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.899 -15.669 -14.783 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.911 -14.377 -13.560 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.750 -14.316 -14.907 1.00 0.00 H new ATOM 1474 N LEU A 88 10.630 -9.140 -16.158 1.00 0.00 N ATOM 1475 CA LEU A 88 10.267 -7.762 -15.873 1.00 0.00 C ATOM 1476 C LEU A 88 10.007 -7.025 -17.189 1.00 0.00 C ATOM 1477 O LEU A 88 10.462 -7.457 -18.247 1.00 0.00 O ATOM 1478 CB LEU A 88 11.330 -7.098 -14.996 1.00 0.00 C ATOM 1479 CG LEU A 88 11.405 -7.585 -13.548 1.00 0.00 C ATOM 1480 CD1 LEU A 88 10.068 -7.384 -12.832 1.00 0.00 C ATOM 1481 CD2 LEU A 88 11.877 -9.039 -13.482 1.00 0.00 C ATOM 0 H LEU A 88 11.622 -9.291 -16.339 1.00 0.00 H new ATOM 0 HA LEU A 88 9.342 -7.723 -15.297 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.304 -7.252 -15.461 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.147 -6.024 -14.988 1.00 0.00 H new ATOM 0 HG LEU A 88 12.146 -6.982 -13.023 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.149 -7.738 -11.804 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.811 -6.325 -12.831 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.290 -7.946 -13.349 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.922 -9.360 -12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.179 -9.673 -14.028 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.868 -9.121 -13.930 1.00 0.00 H new ATOM 1493 N PRO A 89 9.257 -5.896 -17.076 1.00 0.00 N ATOM 1494 CA PRO A 89 8.931 -5.095 -18.244 1.00 0.00 C ATOM 1495 C PRO A 89 10.143 -4.285 -18.709 1.00 0.00 C ATOM 1496 O PRO A 89 10.278 -3.111 -18.368 1.00 0.00 O ATOM 1497 CB PRO A 89 7.765 -4.222 -17.809 1.00 0.00 C ATOM 1498 CG PRO A 89 7.782 -4.231 -16.290 1.00 0.00 C ATOM 1499 CD PRO A 89 8.702 -5.354 -15.840 1.00 0.00 C ATOM 0 HA PRO A 89 8.657 -5.702 -19.107 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.871 -3.208 -18.195 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.822 -4.611 -18.191 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.133 -3.273 -15.907 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.776 -4.382 -15.898 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.488 -4.983 -15.182 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.155 -6.115 -15.284 1.00 0.00 H new ATOM 1507 N GLY A 90 10.994 -4.945 -19.481 1.00 0.00 N ATOM 1508 CA GLY A 90 12.191 -4.301 -19.997 1.00 0.00 C ATOM 1509 C GLY A 90 13.187 -4.014 -18.872 1.00 0.00 C ATOM 1510 O GLY A 90 13.051 -3.025 -18.154 1.00 0.00 O ATOM 0 H GLY A 90 10.879 -5.919 -19.762 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.658 -4.940 -20.747 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.921 -3.370 -20.495 1.00 0.00 H new ATOM 1514 N ARG A 91 14.167 -4.898 -18.753 1.00 0.00 N ATOM 1515 CA ARG A 91 15.186 -4.753 -17.727 1.00 0.00 C ATOM 1516 C ARG A 91 16.531 -5.272 -18.238 1.00 0.00 C ATOM 1517 O ARG A 91 17.441 -5.528 -17.451 1.00 0.00 O ATOM 1518 CB ARG A 91 14.802 -5.514 -16.457 1.00 0.00 C ATOM 1519 CG ARG A 91 13.734 -4.757 -15.665 1.00 0.00 C ATOM 1520 CD ARG A 91 14.294 -3.451 -15.099 1.00 0.00 C ATOM 1521 NE ARG A 91 13.408 -2.942 -14.029 1.00 0.00 N ATOM 1522 CZ ARG A 91 13.521 -1.727 -13.475 1.00 0.00 C ATOM 1523 NH1 ARG A 91 14.482 -0.889 -13.886 1.00 0.00 N ATOM 1524 NH2 ARG A 91 12.672 -1.350 -12.509 1.00 0.00 N ATOM 0 H ARG A 91 14.277 -5.717 -19.350 1.00 0.00 H new ATOM 0 HA ARG A 91 15.269 -3.692 -17.489 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.430 -6.504 -16.721 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.685 -5.660 -15.835 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.882 -4.542 -16.310 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.368 -5.383 -14.851 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.296 -3.616 -14.704 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.382 -2.709 -15.893 1.00 0.00 H new ATOM 0 HE ARG A 91 12.665 -3.554 -13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.128 -1.176 -14.621 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.567 0.036 -13.464 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.940 -1.988 -12.196 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.758 -0.425 -12.087 1.00 0.00 H new ATOM 1538 N THR A 92 16.615 -5.413 -19.553 1.00 0.00 N ATOM 1539 CA THR A 92 17.833 -5.898 -20.178 1.00 0.00 C ATOM 1540 C THR A 92 18.491 -6.969 -19.305 1.00 0.00 C ATOM 1541 O THR A 92 18.015 -8.101 -19.241 1.00 0.00 O ATOM 1542 CB THR A 92 18.738 -4.693 -20.447 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.759 -3.991 -19.207 1.00 0.00 O ATOM 1544 CG2 THR A 92 18.113 -3.699 -21.427 1.00 0.00 C ATOM 0 H THR A 92 15.858 -5.199 -20.203 1.00 0.00 H new ATOM 0 HA THR A 92 17.622 -6.384 -21.130 1.00 0.00 H new ATOM 0 HB THR A 92 19.694 -5.038 -20.840 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.325 -3.195 -19.291 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.796 -2.864 -21.583 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.924 -4.196 -22.379 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.173 -3.328 -21.019 1.00 0.00 H new ATOM 1552 N ASP A 93 19.575 -6.573 -18.655 1.00 0.00 N ATOM 1553 CA ASP A 93 20.303 -7.485 -17.788 1.00 0.00 C ATOM 1554 C ASP A 93 21.143 -6.678 -16.797 1.00 0.00 C ATOM 1555 O ASP A 93 21.146 -6.967 -15.601 1.00 0.00 O ATOM 1556 CB ASP A 93 21.250 -8.374 -18.596 1.00 0.00 C ATOM 1557 CG ASP A 93 22.405 -7.638 -19.278 1.00 0.00 C ATOM 1558 OD1 ASP A 93 22.108 -6.838 -20.192 1.00 0.00 O ATOM 1559 OD2 ASP A 93 23.559 -7.891 -18.869 1.00 0.00 O ATOM 0 H ASP A 93 19.967 -5.633 -18.711 1.00 0.00 H new ATOM 0 HA ASP A 93 19.576 -8.110 -17.269 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.664 -9.134 -17.933 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.672 -8.896 -19.358 1.00 0.00 H new ATOM 1564 N ASN A 94 21.835 -5.682 -17.330 1.00 0.00 N ATOM 1565 CA ASN A 94 22.678 -4.831 -16.506 1.00 0.00 C ATOM 1566 C ASN A 94 21.814 -4.128 -15.457 1.00 0.00 C ATOM 1567 O ASN A 94 22.334 -3.579 -14.486 1.00 0.00 O ATOM 1568 CB ASN A 94 23.366 -3.756 -17.349 1.00 0.00 C ATOM 1569 CG ASN A 94 23.802 -4.317 -18.704 1.00 0.00 C ATOM 1570 OD1 ASN A 94 24.628 -5.210 -18.799 1.00 0.00 O ATOM 1571 ND2 ASN A 94 23.203 -3.745 -19.745 1.00 0.00 N ATOM 0 H ASN A 94 21.830 -5.445 -18.322 1.00 0.00 H new ATOM 0 HA ASN A 94 23.434 -5.459 -16.035 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.686 -2.917 -17.500 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.234 -3.370 -16.815 1.00 0.00 H new ATOM 0 HD21 ASN A 94 23.426 -4.049 -20.693 1.00 0.00 H new ATOM 0 HD22 ASN A 94 22.520 -3.002 -19.596 1.00 0.00 H new ATOM 1578 N ALA A 95 20.510 -4.167 -15.687 1.00 0.00 N ATOM 1579 CA ALA A 95 19.569 -3.541 -14.774 1.00 0.00 C ATOM 1580 C ALA A 95 19.435 -4.403 -13.517 1.00 0.00 C ATOM 1581 O ALA A 95 19.840 -3.991 -12.431 1.00 0.00 O ATOM 1582 CB ALA A 95 18.230 -3.332 -15.484 1.00 0.00 C ATOM 0 H ALA A 95 20.083 -4.623 -16.493 1.00 0.00 H new ATOM 0 HA ALA A 95 19.929 -2.560 -14.464 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.524 -2.862 -14.799 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.375 -2.689 -16.352 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.835 -4.295 -15.807 1.00 0.00 H new ATOM 1588 N VAL A 96 18.864 -5.583 -13.707 1.00 0.00 N ATOM 1589 CA VAL A 96 18.671 -6.507 -12.602 1.00 0.00 C ATOM 1590 C VAL A 96 20.020 -6.790 -11.937 1.00 0.00 C ATOM 1591 O VAL A 96 20.194 -6.538 -10.746 1.00 0.00 O ATOM 1592 CB VAL A 96 17.970 -7.774 -13.095 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.798 -8.784 -11.958 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.624 -7.440 -13.741 1.00 0.00 C ATOM 0 H VAL A 96 18.529 -5.921 -14.609 1.00 0.00 H new ATOM 0 HA VAL A 96 18.022 -6.066 -11.845 1.00 0.00 H new ATOM 0 HB VAL A 96 18.602 -8.232 -13.856 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.297 -9.675 -12.336 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.776 -9.058 -11.563 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.198 -8.339 -11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.147 -8.358 -14.083 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.982 -6.947 -13.011 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.783 -6.776 -14.591 1.00 0.00 H new ATOM 1604 N LYS A 97 20.939 -7.310 -12.737 1.00 0.00 N ATOM 1605 CA LYS A 97 22.267 -7.630 -12.242 1.00 0.00 C ATOM 1606 C LYS A 97 22.714 -6.547 -11.257 1.00 0.00 C ATOM 1607 O LYS A 97 22.993 -6.837 -10.095 1.00 0.00 O ATOM 1608 CB LYS A 97 23.237 -7.841 -13.406 1.00 0.00 C ATOM 1609 CG LYS A 97 24.605 -8.306 -12.903 1.00 0.00 C ATOM 1610 CD LYS A 97 25.537 -8.634 -14.071 1.00 0.00 C ATOM 1611 CE LYS A 97 25.985 -7.359 -14.789 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.425 -7.112 -14.557 1.00 0.00 N ATOM 0 H LYS A 97 20.790 -7.518 -13.724 1.00 0.00 H new ATOM 0 HA LYS A 97 22.253 -8.573 -11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.828 -8.580 -14.095 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.348 -6.912 -13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.052 -7.528 -12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.484 -9.186 -12.271 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.409 -9.175 -13.704 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.027 -9.292 -14.775 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.793 -7.450 -15.858 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.402 -6.510 -14.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.712 -6.243 -15.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.599 -7.004 -13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.978 -7.915 -14.919 1.00 0.00 H new ATOM 1626 N ASN A 98 22.769 -5.322 -11.759 1.00 0.00 N ATOM 1627 CA ASN A 98 23.178 -4.195 -10.939 1.00 0.00 C ATOM 1628 C ASN A 98 22.222 -4.061 -9.752 1.00 0.00 C ATOM 1629 O ASN A 98 22.651 -3.778 -8.634 1.00 0.00 O ATOM 1630 CB ASN A 98 23.130 -2.889 -11.734 1.00 0.00 C ATOM 1631 CG ASN A 98 23.949 -1.796 -11.044 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.581 -1.271 -10.006 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.077 -1.485 -11.676 1.00 0.00 N ATOM 0 H ASN A 98 22.537 -5.086 -12.724 1.00 0.00 H new ATOM 0 HA ASN A 98 24.199 -4.375 -10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.516 -3.057 -12.740 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.096 -2.561 -11.840 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.694 -0.768 -11.295 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.325 -1.964 -12.542 1.00 0.00 H new ATOM 1640 N HIS A 99 20.945 -4.270 -10.035 1.00 0.00 N ATOM 1641 CA HIS A 99 19.925 -4.176 -9.005 1.00 0.00 C ATOM 1642 C HIS A 99 20.221 -5.187 -7.896 1.00 0.00 C ATOM 1643 O HIS A 99 19.806 -5.000 -6.753 1.00 0.00 O ATOM 1644 CB HIS A 99 18.528 -4.347 -9.606 1.00 0.00 C ATOM 1645 CG HIS A 99 17.407 -4.201 -8.605 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.529 -3.456 -7.445 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.142 -4.713 -8.603 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.384 -3.523 -6.782 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.526 -4.303 -7.501 1.00 0.00 N ATOM 0 H HIS A 99 20.593 -4.504 -10.963 1.00 0.00 H new ATOM 0 HA HIS A 99 19.945 -3.182 -8.558 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.392 -3.611 -10.398 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.461 -5.331 -10.070 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.715 -5.344 -9.368 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.168 -3.044 -5.838 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.568 -4.533 -7.235 1.00 0.00 H new ATOM 1657 N TRP A 100 20.935 -6.238 -8.272 1.00 0.00 N ATOM 1658 CA TRP A 100 21.292 -7.279 -7.323 1.00 0.00 C ATOM 1659 C TRP A 100 22.258 -6.677 -6.301 1.00 0.00 C ATOM 1660 O TRP A 100 22.081 -6.852 -5.097 1.00 0.00 O ATOM 1661 CB TRP A 100 21.867 -8.501 -8.042 1.00 0.00 C ATOM 1662 CG TRP A 100 21.547 -9.832 -7.358 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.396 -10.817 -7.032 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.247 -10.287 -6.927 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.740 -11.869 -6.425 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.392 -11.536 -6.359 1.00 0.00 C ATOM 1667 CE3 TRP A 100 18.990 -9.664 -7.015 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.321 -12.269 -5.835 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 17.929 -10.409 -6.487 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.059 -11.668 -5.911 1.00 0.00 C ATOM 0 H TRP A 100 21.276 -6.391 -9.221 1.00 0.00 H new ATOM 0 HA TRP A 100 20.409 -7.640 -6.796 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.481 -8.526 -9.061 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.949 -8.392 -8.114 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.459 -10.791 -7.221 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.166 -12.732 -6.087 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.854 -8.687 -7.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.461 -13.246 -5.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 16.941 -9.976 -6.530 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.190 -12.180 -5.524 1.00 0.00 H new ATOM 1681 N ASN A 101 23.259 -5.980 -6.819 1.00 0.00 N ATOM 1682 CA ASN A 101 24.253 -5.351 -5.967 1.00 0.00 C ATOM 1683 C ASN A 101 23.769 -3.955 -5.571 1.00 0.00 C ATOM 1684 O ASN A 101 24.468 -3.229 -4.865 1.00 0.00 O ATOM 1685 CB ASN A 101 25.589 -5.199 -6.697 1.00 0.00 C ATOM 1686 CG ASN A 101 26.323 -6.539 -6.782 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.810 -7.073 -5.799 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.375 -7.050 -8.009 1.00 0.00 N ATOM 0 H ASN A 101 23.403 -5.837 -7.819 1.00 0.00 H new ATOM 0 HA ASN A 101 24.392 -5.982 -5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.417 -4.810 -7.701 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.212 -4.472 -6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.844 -7.941 -8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 101 25.946 -6.550 -8.788 1.00 0.00 H new ATOM 1695 N SER A 102 22.577 -3.620 -6.043 1.00 0.00 N ATOM 1696 CA SER A 102 21.992 -2.324 -5.747 1.00 0.00 C ATOM 1697 C SER A 102 21.445 -2.310 -4.318 1.00 0.00 C ATOM 1698 O SER A 102 22.068 -1.753 -3.416 1.00 0.00 O ATOM 1699 CB SER A 102 20.883 -1.980 -6.743 1.00 0.00 C ATOM 1700 OG SER A 102 21.400 -1.694 -8.040 1.00 0.00 O ATOM 0 H SER A 102 22.001 -4.224 -6.629 1.00 0.00 H new ATOM 0 HA SER A 102 22.772 -1.568 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.183 -2.813 -6.807 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.322 -1.119 -6.378 1.00 0.00 H new ATOM 0 HG SER A 102 22.142 -2.302 -8.238 1.00 0.00 H new ATOM 1706 N THR A 103 20.285 -2.931 -4.157 1.00 0.00 N ATOM 1707 CA THR A 103 19.647 -2.997 -2.853 1.00 0.00 C ATOM 1708 C THR A 103 19.309 -4.446 -2.498 1.00 0.00 C ATOM 1709 O THR A 103 18.908 -4.736 -1.372 1.00 0.00 O ATOM 1710 CB THR A 103 18.425 -2.076 -2.877 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.926 -0.823 -2.419 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.379 -2.464 -1.831 1.00 0.00 C ATOM 0 H THR A 103 19.771 -3.392 -4.907 1.00 0.00 H new ATOM 0 HA THR A 103 20.317 -2.650 -2.067 1.00 0.00 H new ATOM 0 HB THR A 103 17.972 -2.099 -3.868 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.199 -0.166 -2.405 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.533 -1.779 -1.891 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.036 -3.481 -2.019 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.821 -2.409 -0.836 1.00 0.00 H new ATOM 1720 N ILE A 104 19.482 -5.318 -3.480 1.00 0.00 N ATOM 1721 CA ILE A 104 19.200 -6.730 -3.286 1.00 0.00 C ATOM 1722 C ILE A 104 20.505 -7.470 -2.987 1.00 0.00 C ATOM 1723 O ILE A 104 20.712 -8.587 -3.459 1.00 0.00 O ATOM 1724 CB ILE A 104 18.434 -7.294 -4.485 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.212 -6.432 -4.809 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.058 -8.759 -4.255 1.00 0.00 C ATOM 1727 CD1 ILE A 104 16.905 -6.459 -6.308 1.00 0.00 C ATOM 0 H ILE A 104 19.814 -5.074 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 104 18.547 -6.873 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 104 19.090 -7.263 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.349 -6.794 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.391 -5.406 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.515 -9.136 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.963 -9.349 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.428 -8.838 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.032 -5.839 -6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 104 17.761 -6.074 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.703 -7.484 -6.620 1.00 0.00 H new ATOM 1739 N LYS A 105 21.352 -6.817 -2.205 1.00 0.00 N ATOM 1740 CA LYS A 105 22.632 -7.399 -1.837 1.00 0.00 C ATOM 1741 C LYS A 105 22.807 -7.319 -0.319 1.00 0.00 C ATOM 1742 O LYS A 105 23.855 -6.899 0.167 1.00 0.00 O ATOM 1743 CB LYS A 105 23.766 -6.739 -2.623 1.00 0.00 C ATOM 1744 CG LYS A 105 23.405 -5.301 -3.003 1.00 0.00 C ATOM 1745 CD LYS A 105 22.968 -4.502 -1.773 1.00 0.00 C ATOM 1746 CE LYS A 105 24.075 -3.552 -1.314 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.551 -2.174 -1.177 1.00 0.00 N ATOM 0 H LYS A 105 21.177 -5.890 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 105 22.662 -8.455 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.678 -6.743 -2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 105 23.973 -7.316 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 105 24.264 -4.818 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.603 -5.307 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.069 -3.932 -2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.712 -5.185 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.480 -3.890 -0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 105 24.895 -3.566 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.333 -1.494 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.847 -1.995 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.105 -2.063 -0.244 1.00 0.00 H new ATOM 1761 N ARG A 106 21.763 -7.729 0.387 1.00 0.00 N ATOM 1762 CA ARG A 106 21.788 -7.708 1.840 1.00 0.00 C ATOM 1763 C ARG A 106 22.572 -8.908 2.374 1.00 0.00 C ATOM 1764 O ARG A 106 23.583 -8.741 3.055 1.00 0.00 O ATOM 1765 CB ARG A 106 20.371 -7.737 2.415 1.00 0.00 C ATOM 1766 CG ARG A 106 19.978 -6.368 2.973 1.00 0.00 C ATOM 1767 CD ARG A 106 20.664 -6.105 4.316 1.00 0.00 C ATOM 1768 NE ARG A 106 21.916 -5.344 4.104 1.00 0.00 N ATOM 1769 CZ ARG A 106 22.854 -5.164 5.044 1.00 0.00 C ATOM 1770 NH1 ARG A 106 22.687 -5.690 6.265 1.00 0.00 N ATOM 1771 NH2 ARG A 106 23.958 -4.459 4.762 1.00 0.00 N ATOM 0 H ARG A 106 20.895 -8.077 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 106 22.275 -6.784 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 106 19.666 -8.033 1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 106 20.310 -8.487 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 106 20.253 -5.589 2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 106 18.896 -6.319 3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 106 19.996 -5.547 4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 106 20.883 -7.050 4.813 1.00 0.00 H new ATOM 0 HE ARG A 106 22.075 -4.931 3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 106 21.846 -6.227 6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 106 23.400 -5.553 6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 106 24.084 -4.059 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 106 24.672 -4.322 5.477 1.00 0.00 H new ATOM 1785 N LYS A 107 22.077 -10.093 2.045 1.00 0.00 N ATOM 1786 CA LYS A 107 22.719 -11.320 2.483 1.00 0.00 C ATOM 1787 C LYS A 107 24.105 -11.422 1.844 1.00 0.00 C ATOM 1788 O LYS A 107 24.290 -12.144 0.866 1.00 0.00 O ATOM 1789 CB LYS A 107 21.821 -12.526 2.198 1.00 0.00 C ATOM 1790 CG LYS A 107 21.792 -13.482 3.392 1.00 0.00 C ATOM 1791 CD LYS A 107 22.333 -14.860 3.003 1.00 0.00 C ATOM 1792 CE LYS A 107 22.222 -15.842 4.171 1.00 0.00 C ATOM 1793 NZ LYS A 107 22.540 -17.217 3.725 1.00 0.00 N ATOM 0 H LYS A 107 21.239 -10.229 1.480 1.00 0.00 H new ATOM 0 HA LYS A 107 22.865 -11.308 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 107 20.810 -12.186 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 107 22.182 -13.052 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 107 22.387 -13.070 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 107 20.771 -13.579 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 107 21.779 -15.244 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 107 23.375 -14.772 2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 107 22.903 -15.546 4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 107 21.214 -15.812 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 22.460 -17.870 4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 21.874 -17.503 2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 23.510 -17.245 3.352 1.00 0.00 H new ATOM 1807 N VAL A 108 25.044 -10.688 2.423 1.00 0.00 N ATOM 1808 CA VAL A 108 26.408 -10.686 1.923 1.00 0.00 C ATOM 1809 C VAL A 108 27.372 -10.422 3.081 1.00 0.00 C ATOM 1810 O VAL A 108 28.360 -11.136 3.247 1.00 0.00 O ATOM 1811 CB VAL A 108 26.547 -9.671 0.786 1.00 0.00 C ATOM 1812 CG1 VAL A 108 27.952 -9.066 0.760 1.00 0.00 C ATOM 1813 CG2 VAL A 108 26.198 -10.306 -0.562 1.00 0.00 C ATOM 0 H VAL A 108 24.887 -10.090 3.234 1.00 0.00 H new ATOM 0 HA VAL A 108 26.662 -11.660 1.505 1.00 0.00 H new ATOM 0 HB VAL A 108 25.838 -8.864 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 108 28.024 -8.348 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 108 28.148 -8.560 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 108 28.686 -9.858 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 108 26.305 -9.563 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 108 26.871 -11.142 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 108 25.169 -10.666 -0.539 1.00 0.00 H new ATOM 1823 N ASP A 109 27.050 -9.394 3.853 1.00 0.00 N ATOM 1824 CA ASP A 109 27.875 -9.027 4.992 1.00 0.00 C ATOM 1825 C ASP A 109 27.378 -9.765 6.236 1.00 0.00 C ATOM 1826 O ASP A 109 27.357 -9.202 7.330 1.00 0.00 O ATOM 1827 CB ASP A 109 27.793 -7.525 5.269 1.00 0.00 C ATOM 1828 CG ASP A 109 29.137 -6.841 5.532 1.00 0.00 C ATOM 1829 OD1 ASP A 109 29.859 -6.609 4.538 1.00 0.00 O ATOM 1830 OD2 ASP A 109 29.412 -6.567 6.720 1.00 0.00 O ATOM 0 H ASP A 109 26.230 -8.804 3.712 1.00 0.00 H new ATOM 0 HA ASP A 109 28.906 -9.296 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 109 27.316 -7.039 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 109 27.146 -7.365 6.131 1.00 0.00 H new ATOM 1835 N THR A 110 26.989 -11.015 6.028 1.00 0.00 N ATOM 1836 CA THR A 110 26.493 -11.836 7.119 1.00 0.00 C ATOM 1837 C THR A 110 25.463 -11.061 7.944 1.00 0.00 C ATOM 1838 O THR A 110 24.416 -11.599 8.299 1.00 0.00 O ATOM 1839 CB THR A 110 27.695 -12.310 7.938 1.00 0.00 C ATOM 1840 OG1 THR A 110 28.227 -13.393 7.179 1.00 0.00 O ATOM 1841 CG2 THR A 110 27.283 -12.952 9.264 1.00 0.00 C ATOM 0 H THR A 110 27.008 -11.479 5.120 1.00 0.00 H new ATOM 0 HA THR A 110 25.969 -12.716 6.746 1.00 0.00 H new ATOM 0 HB THR A 110 28.357 -11.466 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 110 29.012 -13.759 7.637 1.00 0.00 H new ATOM 0 HG21 THR A 110 28.173 -13.271 9.806 1.00 0.00 H new ATOM 0 HG22 THR A 110 26.733 -12.227 9.864 1.00 0.00 H new ATOM 0 HG23 THR A 110 26.649 -13.816 9.068 1.00 0.00 H new TER 1849 THR A 110