USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.674 K(o=1.4,f=-1.6) USER MOD Set 2.2: A 67 THR OG1 : rot -99:sc= 0.754 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 15 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.45) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 170:sc= -0.31 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 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 46 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.439) USER MOD Single : A 53 THR OG1 : rot 161:sc= 0.0667 USER MOD Single : A 55 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.191) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 73:sc= 1.37 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.135 K(o=0.14,f=-4.6!) USER MOD Single : A 81 TYR OH : rot -137:sc= 1.54 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -109:sc= 0.0417 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.592) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.517 K(o=-0.52,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 13.478 4.730 -9.051 1.00 0.00 N ATOM 35 CA ASN A 5 12.894 4.757 -7.673 1.00 0.00 C ATOM 36 C ASN A 5 11.896 3.579 -7.448 1.00 0.00 C ATOM 37 O ASN A 5 10.734 3.746 -7.061 1.00 0.00 O ATOM 38 CB ASN A 5 12.231 6.129 -7.410 1.00 0.00 C ATOM 39 CG ASN A 5 13.173 7.345 -7.337 1.00 0.00 C ATOM 40 OD1 ASN A 5 13.930 7.513 -6.378 1.00 0.00 O ATOM 41 ND2 ASN A 5 13.150 8.212 -8.339 1.00 0.00 N ATOM 0 HA ASN A 5 13.700 4.621 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.500 6.311 -8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.680 6.067 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.762 9.028 -8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.520 8.064 -9.127 1.00 0.00 H new ATOM 42 N ALA A 6 12.418 2.369 -7.677 1.00 0.00 N ATOM 43 CA ALA A 6 11.662 1.100 -7.588 1.00 0.00 C ATOM 44 C ALA A 6 12.226 0.209 -6.457 1.00 0.00 C ATOM 45 O ALA A 6 13.440 0.036 -6.306 1.00 0.00 O ATOM 46 CB ALA A 6 11.728 0.372 -8.946 1.00 0.00 C ATOM 0 H ALA A 6 13.396 2.234 -7.935 1.00 0.00 H new ATOM 0 HA ALA A 6 10.620 1.316 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.172 -0.564 -8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.291 1.004 -9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.768 0.161 -9.195 1.00 0.00 H new ATOM 47 N LEU A 7 11.295 -0.368 -5.685 1.00 0.00 N ATOM 48 CA LEU A 7 11.604 -1.287 -4.575 1.00 0.00 C ATOM 49 C LEU A 7 11.469 -2.737 -5.115 1.00 0.00 C ATOM 50 O LEU A 7 10.384 -3.185 -5.492 1.00 0.00 O ATOM 51 CB LEU A 7 10.652 -0.972 -3.383 1.00 0.00 C ATOM 52 CG LEU A 7 10.829 -1.861 -2.124 1.00 0.00 C ATOM 53 CD1 LEU A 7 12.212 -1.711 -1.461 1.00 0.00 C ATOM 54 CD2 LEU A 7 9.748 -1.631 -1.057 1.00 0.00 C ATOM 0 H LEU A 7 10.295 -0.210 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 7 12.620 -1.166 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.796 0.069 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.623 -1.067 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 7 10.730 -2.875 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.269 -2.360 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.989 -1.992 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.358 -0.675 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.933 -2.285 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.775 -0.592 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.768 -1.853 -1.479 1.00 0.00 H new ATOM 55 N GLU A 8 12.592 -3.473 -5.070 1.00 0.00 N ATOM 56 CA GLU A 8 12.605 -4.962 -5.195 1.00 0.00 C ATOM 57 C GLU A 8 12.151 -5.569 -3.832 1.00 0.00 C ATOM 58 O GLU A 8 12.862 -5.488 -2.827 1.00 0.00 O ATOM 59 CB GLU A 8 13.942 -5.585 -5.720 1.00 0.00 C ATOM 60 CG GLU A 8 15.234 -4.732 -5.732 1.00 0.00 C ATOM 61 CD GLU A 8 16.452 -5.502 -6.245 1.00 0.00 C ATOM 62 OE1 GLU A 8 16.620 -5.621 -7.480 1.00 0.00 O ATOM 63 OE2 GLU A 8 17.251 -5.993 -5.417 1.00 0.00 O ATOM 0 H GLU A 8 13.519 -3.066 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 8 11.902 -5.228 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.144 -6.473 -5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.765 -5.922 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.077 -3.853 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.436 -4.374 -4.723 1.00 0.00 H new ATOM 64 N THR A 9 10.919 -6.109 -3.823 1.00 0.00 N ATOM 65 CA THR A 9 10.148 -6.412 -2.583 1.00 0.00 C ATOM 66 C THR A 9 9.909 -7.951 -2.570 1.00 0.00 C ATOM 67 O THR A 9 9.357 -8.490 -3.533 1.00 0.00 O ATOM 68 CB THR A 9 8.797 -5.613 -2.557 1.00 0.00 C ATOM 69 OG1 THR A 9 8.863 -4.364 -3.242 1.00 0.00 O ATOM 70 CG2 THR A 9 8.279 -5.297 -1.152 1.00 0.00 C ATOM 0 H THR A 9 10.418 -6.353 -4.678 1.00 0.00 H new ATOM 0 HA THR A 9 10.697 -6.107 -1.692 1.00 0.00 H new ATOM 0 HB THR A 9 8.117 -6.299 -3.061 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.992 -3.917 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.343 -4.744 -1.225 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.110 -6.227 -0.609 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.015 -4.695 -0.620 1.00 0.00 H new ATOM 71 N TRP A 10 10.352 -8.662 -1.514 1.00 0.00 N ATOM 72 CA TRP A 10 10.474 -10.151 -1.551 1.00 0.00 C ATOM 73 C TRP A 10 9.776 -10.867 -0.359 1.00 0.00 C ATOM 74 O TRP A 10 9.695 -10.354 0.761 1.00 0.00 O ATOM 75 CB TRP A 10 11.979 -10.548 -1.624 1.00 0.00 C ATOM 76 CG TRP A 10 12.570 -10.460 -3.036 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.294 -9.378 -3.578 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.493 -11.400 -4.048 1.00 0.00 C ATOM 79 NE1 TRP A 10 13.677 -9.622 -4.910 1.00 0.00 N ATOM 80 CE2 TRP A 10 13.178 -10.887 -5.178 1.00 0.00 C ATOM 81 CE3 TRP A 10 11.860 -12.672 -4.107 1.00 0.00 C ATOM 82 CZ2 TRP A 10 13.256 -11.652 -6.368 1.00 0.00 C ATOM 83 CZ3 TRP A 10 11.943 -13.398 -5.294 1.00 0.00 C ATOM 84 CH2 TRP A 10 12.634 -12.899 -6.406 1.00 0.00 C ATOM 0 H TRP A 10 10.632 -8.242 -0.627 1.00 0.00 H new ATOM 0 HA TRP A 10 9.950 -10.489 -2.445 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.550 -9.899 -0.959 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.096 -11.566 -1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.526 -8.473 -3.037 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.201 -9.009 -5.534 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.328 -13.066 -3.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 13.787 -11.276 -7.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.465 -14.364 -5.358 1.00 0.00 H new ATOM 0 HH2 TRP A 10 12.686 -13.491 -7.308 1.00 0.00 H new ATOM 85 N GLY A 11 9.336 -12.109 -0.638 1.00 0.00 N ATOM 86 CA GLY A 11 8.908 -13.067 0.401 1.00 0.00 C ATOM 87 C GLY A 11 8.794 -14.507 -0.160 1.00 0.00 C ATOM 88 O GLY A 11 9.571 -14.930 -1.023 1.00 0.00 O ATOM 0 H GLY A 11 9.267 -12.476 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.621 -13.053 1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.945 -12.757 0.807 1.00 0.00 H new ATOM 89 N ALA A 12 7.831 -15.264 0.386 1.00 0.00 N ATOM 90 CA ALA A 12 7.593 -16.696 0.029 1.00 0.00 C ATOM 91 C ALA A 12 6.073 -17.007 -0.097 1.00 0.00 C ATOM 92 O ALA A 12 5.221 -16.184 0.252 1.00 0.00 O ATOM 93 CB ALA A 12 8.259 -17.561 1.125 1.00 0.00 C ATOM 0 H ALA A 12 7.185 -14.911 1.092 1.00 0.00 H new ATOM 0 HA ALA A 12 8.028 -16.920 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.106 -18.616 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.327 -17.348 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.813 -17.329 2.092 1.00 0.00 H new ATOM 94 N LEU A 13 5.720 -18.243 -0.519 1.00 0.00 N ATOM 95 CA LEU A 13 4.362 -18.814 -0.249 1.00 0.00 C ATOM 96 C LEU A 13 4.270 -19.075 1.285 1.00 0.00 C ATOM 97 O LEU A 13 4.923 -19.968 1.838 1.00 0.00 O ATOM 98 CB LEU A 13 4.006 -20.117 -1.008 1.00 0.00 C ATOM 99 CG LEU A 13 3.726 -19.965 -2.527 1.00 0.00 C ATOM 100 CD1 LEU A 13 4.977 -20.083 -3.392 1.00 0.00 C ATOM 101 CD2 LEU A 13 2.673 -20.967 -3.041 1.00 0.00 C ATOM 0 H LEU A 13 6.340 -18.863 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 13 3.641 -18.083 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.825 -20.824 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.127 -20.558 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 13 3.336 -18.952 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.706 -19.967 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.687 -19.305 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.433 -21.062 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.517 -20.815 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.023 -21.984 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.733 -20.811 -2.511 1.00 0.00 H new ATOM 102 N GLY A 14 3.517 -18.193 1.939 1.00 0.00 N ATOM 103 CA GLY A 14 3.632 -17.954 3.395 1.00 0.00 C ATOM 104 C GLY A 14 3.783 -16.453 3.678 1.00 0.00 C ATOM 105 O GLY A 14 4.885 -16.034 4.046 1.00 0.00 O ATOM 0 H GLY A 14 2.807 -17.619 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.749 -18.340 3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.491 -18.494 3.792 1.00 0.00 H new ATOM 106 N GLN A 15 2.716 -15.642 3.463 1.00 0.00 N ATOM 107 CA GLN A 15 2.877 -14.162 3.403 1.00 0.00 C ATOM 108 C GLN A 15 1.614 -13.380 3.868 1.00 0.00 C ATOM 109 O GLN A 15 0.487 -13.692 3.470 1.00 0.00 O ATOM 110 CB GLN A 15 3.261 -13.760 1.948 1.00 0.00 C ATOM 111 CG GLN A 15 3.938 -12.379 1.836 1.00 0.00 C ATOM 112 CD GLN A 15 4.329 -12.015 0.400 1.00 0.00 C ATOM 113 OE1 GLN A 15 5.403 -12.375 -0.089 1.00 0.00 O ATOM 114 NE2 GLN A 15 3.476 -11.287 -0.296 1.00 0.00 N ATOM 0 H GLN A 15 1.760 -15.973 3.331 1.00 0.00 H new ATOM 0 HA GLN A 15 3.667 -13.889 4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.931 -14.516 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.362 -13.763 1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.263 -11.617 2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.829 -12.366 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.592 -10.997 0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.701 -11.014 -1.253 1.00 0.00 H new ATOM 115 N ASP A 16 1.851 -12.281 4.616 1.00 0.00 N ATOM 116 CA ASP A 16 0.946 -11.101 4.629 1.00 0.00 C ATOM 117 C ASP A 16 1.852 -9.834 4.593 1.00 0.00 C ATOM 118 O ASP A 16 2.666 -9.604 5.493 1.00 0.00 O ATOM 119 CB ASP A 16 -0.024 -11.105 5.837 1.00 0.00 C ATOM 120 CG ASP A 16 -1.126 -10.024 5.902 1.00 0.00 C ATOM 121 OD1 ASP A 16 -1.144 -9.070 5.093 1.00 0.00 O ATOM 122 OD2 ASP A 16 -2.002 -10.146 6.786 1.00 0.00 O ATOM 0 H ASP A 16 2.665 -12.182 5.223 1.00 0.00 H new ATOM 0 HA ASP A 16 0.290 -11.121 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.513 -12.079 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.575 -11.022 6.744 1.00 0.00 H new ATOM 123 N ILE A 17 1.667 -9.015 3.545 1.00 0.00 N ATOM 124 CA ILE A 17 2.444 -7.751 3.326 1.00 0.00 C ATOM 125 C ILE A 17 1.648 -6.510 3.827 1.00 0.00 C ATOM 126 O ILE A 17 0.417 -6.516 3.878 1.00 0.00 O ATOM 127 CB ILE A 17 2.889 -7.677 1.814 1.00 0.00 C ATOM 128 CG1 ILE A 17 4.164 -8.527 1.555 1.00 0.00 C ATOM 129 CG2 ILE A 17 3.041 -6.281 1.149 1.00 0.00 C ATOM 130 CD1 ILE A 17 5.514 -8.027 2.105 1.00 0.00 C ATOM 0 H ILE A 17 0.977 -9.197 2.816 1.00 0.00 H new ATOM 0 HA ILE A 17 3.355 -7.752 3.924 1.00 0.00 H new ATOM 0 HB ILE A 17 2.015 -8.095 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.987 -9.521 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.270 -8.643 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.352 -6.404 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.086 -5.756 1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.792 -5.702 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.300 -8.734 1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.742 -7.051 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.456 -7.942 3.190 1.00 0.00 H new ATOM 131 N ASN A 18 2.396 -5.424 4.118 1.00 0.00 N ATOM 132 CA ASN A 18 1.832 -4.052 4.222 1.00 0.00 C ATOM 133 C ASN A 18 2.510 -3.124 3.160 1.00 0.00 C ATOM 134 O ASN A 18 3.744 -3.097 3.082 1.00 0.00 O ATOM 135 CB ASN A 18 2.014 -3.531 5.680 1.00 0.00 C ATOM 136 CG ASN A 18 1.191 -2.282 6.059 1.00 0.00 C ATOM 137 OD1 ASN A 18 0.996 -1.361 5.267 1.00 0.00 O ATOM 138 ND2 ASN A 18 0.720 -2.204 7.294 1.00 0.00 N ATOM 0 H ASN A 18 3.401 -5.468 4.287 1.00 0.00 H new ATOM 0 HA ASN A 18 0.763 -4.057 4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.754 -4.336 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.069 -3.307 5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.195 -1.380 7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.882 -2.968 7.951 1.00 0.00 H new ATOM 139 N LEU A 19 1.712 -2.335 2.392 1.00 0.00 N ATOM 140 CA LEU A 19 2.274 -1.260 1.503 1.00 0.00 C ATOM 141 C LEU A 19 1.971 0.124 2.117 1.00 0.00 C ATOM 142 O LEU A 19 0.915 0.721 1.895 1.00 0.00 O ATOM 143 CB LEU A 19 1.929 -1.336 -0.022 1.00 0.00 C ATOM 144 CG LEU A 19 2.601 -2.537 -0.767 1.00 0.00 C ATOM 145 CD1 LEU A 19 2.349 -2.471 -2.269 1.00 0.00 C ATOM 146 CD2 LEU A 19 4.137 -2.669 -0.603 1.00 0.00 C ATOM 0 H LEU A 19 0.695 -2.413 2.364 1.00 0.00 H new ATOM 0 HA LEU A 19 3.349 -1.441 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.848 -1.410 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.237 -0.406 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 19 2.132 -3.397 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.829 -3.320 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.276 -2.503 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.761 -1.544 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.490 -3.535 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.622 -1.770 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.381 -2.795 0.452 1.00 0.00 H new ATOM 147 N ASP A 20 2.980 0.619 2.847 1.00 0.00 N ATOM 148 CA ASP A 20 3.004 1.990 3.418 1.00 0.00 C ATOM 149 C ASP A 20 3.636 2.964 2.344 1.00 0.00 C ATOM 150 O ASP A 20 3.780 2.619 1.164 1.00 0.00 O ATOM 151 CB ASP A 20 3.835 1.942 4.744 1.00 0.00 C ATOM 152 CG ASP A 20 3.254 1.142 5.914 1.00 0.00 C ATOM 153 OD1 ASP A 20 3.553 -0.070 6.019 1.00 0.00 O ATOM 154 OD2 ASP A 20 2.521 1.725 6.745 1.00 0.00 O ATOM 0 H ASP A 20 3.817 0.079 3.065 1.00 0.00 H new ATOM 0 HA ASP A 20 2.006 2.359 3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.817 1.531 4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.990 2.967 5.081 1.00 0.00 H new ATOM 155 N ILE A 21 4.039 4.183 2.750 1.00 0.00 N ATOM 156 CA ILE A 21 4.776 5.130 1.866 1.00 0.00 C ATOM 157 C ILE A 21 5.829 5.953 2.689 1.00 0.00 C ATOM 158 O ILE A 21 5.428 6.882 3.400 1.00 0.00 O ATOM 159 CB ILE A 21 3.901 6.059 0.947 1.00 0.00 C ATOM 160 CG1 ILE A 21 2.713 6.840 1.592 1.00 0.00 C ATOM 161 CG2 ILE A 21 3.511 5.371 -0.379 1.00 0.00 C ATOM 162 CD1 ILE A 21 1.404 6.084 1.892 1.00 0.00 C ATOM 0 H ILE A 21 3.869 4.544 3.689 1.00 0.00 H new ATOM 0 HA ILE A 21 5.286 4.486 1.150 1.00 0.00 H new ATOM 0 HB ILE A 21 4.595 6.873 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.069 7.268 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.469 7.673 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.908 6.052 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.413 5.105 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.937 4.470 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.682 6.769 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.997 5.680 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.606 5.268 2.586 1.00 0.00 H new ATOM 163 N PRO A 22 7.172 5.727 2.547 1.00 0.00 N ATOM 164 CA PRO A 22 8.223 6.675 3.019 1.00 0.00 C ATOM 165 C PRO A 22 8.255 8.076 2.338 1.00 0.00 C ATOM 166 O PRO A 22 7.605 8.332 1.316 1.00 0.00 O ATOM 167 CB PRO A 22 9.525 5.895 2.729 1.00 0.00 C ATOM 168 CG PRO A 22 9.127 4.426 2.733 1.00 0.00 C ATOM 169 CD PRO A 22 7.734 4.433 2.108 1.00 0.00 C ATOM 0 HA PRO A 22 8.047 6.942 4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.950 6.184 1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.282 6.099 3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.824 3.820 2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.112 4.017 3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.780 4.362 1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.132 3.594 2.457 1.00 0.00 H new ATOM 170 N SER A 23 9.069 8.964 2.938 1.00 0.00 N ATOM 171 CA SER A 23 9.343 10.344 2.437 1.00 0.00 C ATOM 172 C SER A 23 8.095 11.283 2.462 1.00 0.00 C ATOM 173 O SER A 23 7.632 11.749 1.417 1.00 0.00 O ATOM 174 CB SER A 23 10.134 10.325 1.105 1.00 0.00 C ATOM 175 OG SER A 23 10.631 11.620 0.786 1.00 0.00 O ATOM 0 H SER A 23 9.569 8.749 3.801 1.00 0.00 H new ATOM 0 HA SER A 23 10.011 10.818 3.156 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.964 9.622 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.489 9.971 0.301 1.00 0.00 H new ATOM 0 HG SER A 23 11.128 11.581 -0.058 1.00 0.00 H new ATOM 176 N PHE A 24 7.572 11.548 3.675 1.00 0.00 N ATOM 177 CA PHE A 24 6.411 12.452 3.885 1.00 0.00 C ATOM 178 C PHE A 24 6.655 13.294 5.165 1.00 0.00 C ATOM 179 O PHE A 24 6.783 12.753 6.265 1.00 0.00 O ATOM 180 CB PHE A 24 5.065 11.668 3.983 1.00 0.00 C ATOM 181 CG PHE A 24 4.397 11.428 2.622 1.00 0.00 C ATOM 182 CD1 PHE A 24 3.604 12.433 2.054 1.00 0.00 C ATOM 183 CD2 PHE A 24 4.643 10.255 1.898 1.00 0.00 C ATOM 184 CE1 PHE A 24 3.085 12.279 0.774 1.00 0.00 C ATOM 185 CE2 PHE A 24 4.119 10.103 0.619 1.00 0.00 C ATOM 186 CZ PHE A 24 3.348 11.118 0.054 1.00 0.00 C ATOM 0 H PHE A 24 7.937 11.146 4.538 1.00 0.00 H new ATOM 0 HA PHE A 24 6.323 13.110 3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.247 10.707 4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.378 12.220 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.395 13.333 2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.240 9.468 2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.478 13.059 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.310 9.197 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.954 11.003 -0.945 1.00 0.00 H new ATOM 187 N GLN A 25 6.651 14.630 4.994 1.00 0.00 N ATOM 188 CA GLN A 25 6.618 15.595 6.127 1.00 0.00 C ATOM 189 C GLN A 25 5.135 16.025 6.299 1.00 0.00 C ATOM 190 O GLN A 25 4.604 16.804 5.499 1.00 0.00 O ATOM 191 CB GLN A 25 7.550 16.812 5.862 1.00 0.00 C ATOM 192 CG GLN A 25 9.069 16.521 5.781 1.00 0.00 C ATOM 193 CD GLN A 25 9.709 16.009 7.084 1.00 0.00 C ATOM 194 OE1 GLN A 25 9.841 14.802 7.295 1.00 0.00 O ATOM 195 NE2 GLN A 25 10.119 16.899 7.973 1.00 0.00 N ATOM 0 H GLN A 25 6.670 15.075 4.077 1.00 0.00 H new ATOM 0 HA GLN A 25 6.990 15.136 7.043 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.243 17.278 4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.386 17.545 6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.240 15.783 4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.582 17.434 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.004 17.895 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.550 16.589 8.844 1.00 0.00 H new ATOM 196 N MET A 26 4.463 15.452 7.317 1.00 0.00 N ATOM 197 CA MET A 26 2.980 15.502 7.412 1.00 0.00 C ATOM 198 C MET A 26 2.499 16.818 8.079 1.00 0.00 C ATOM 199 O MET A 26 2.858 17.140 9.215 1.00 0.00 O ATOM 200 CB MET A 26 2.413 14.280 8.183 1.00 0.00 C ATOM 201 CG MET A 26 2.583 12.926 7.468 1.00 0.00 C ATOM 202 SD MET A 26 1.787 11.628 8.433 1.00 0.00 S ATOM 203 CE MET A 26 1.977 10.226 7.315 1.00 0.00 C ATOM 0 H MET A 26 4.914 14.951 8.083 1.00 0.00 H new ATOM 0 HA MET A 26 2.599 15.470 6.391 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.901 14.224 9.156 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.352 14.446 8.368 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.145 12.972 6.471 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.642 12.701 7.341 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.534 9.338 7.766 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.476 10.442 6.372 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.037 10.049 7.130 1.00 0.00 H new ATOM 204 N SER A 27 1.640 17.534 7.339 1.00 0.00 N ATOM 205 CA SER A 27 0.853 18.683 7.871 1.00 0.00 C ATOM 206 C SER A 27 -0.612 18.361 8.332 1.00 0.00 C ATOM 207 O SER A 27 -1.292 19.273 8.815 1.00 0.00 O ATOM 208 CB SER A 27 0.840 19.776 6.777 1.00 0.00 C ATOM 209 OG SER A 27 2.142 20.303 6.547 1.00 0.00 O ATOM 0 H SER A 27 1.463 17.342 6.353 1.00 0.00 H new ATOM 0 HA SER A 27 1.346 19.004 8.789 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.447 19.359 5.850 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.168 20.581 7.074 1.00 0.00 H new ATOM 0 HG SER A 27 2.098 20.990 5.849 1.00 0.00 H new ATOM 210 N ASP A 28 -1.101 17.106 8.189 1.00 0.00 N ATOM 211 CA ASP A 28 -2.515 16.693 8.455 1.00 0.00 C ATOM 212 C ASP A 28 -3.475 17.241 7.356 1.00 0.00 C ATOM 213 O ASP A 28 -4.260 18.161 7.597 1.00 0.00 O ATOM 214 CB ASP A 28 -3.023 16.920 9.913 1.00 0.00 C ATOM 215 CG ASP A 28 -2.241 16.176 11.004 1.00 0.00 C ATOM 216 OD1 ASP A 28 -1.255 16.738 11.528 1.00 0.00 O ATOM 217 OD2 ASP A 28 -2.607 15.028 11.338 1.00 0.00 O ATOM 0 H ASP A 28 -0.517 16.330 7.879 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.520 15.605 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.990 17.988 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.068 16.616 9.967 1.00 0.00 H new ATOM 218 N ASP A 29 -3.356 16.682 6.134 1.00 0.00 N ATOM 219 CA ASP A 29 -4.021 17.218 4.906 1.00 0.00 C ATOM 220 C ASP A 29 -4.254 16.114 3.830 1.00 0.00 C ATOM 221 O ASP A 29 -5.350 16.073 3.262 1.00 0.00 O ATOM 222 CB ASP A 29 -3.244 18.412 4.272 1.00 0.00 C ATOM 223 CG ASP A 29 -3.336 19.743 5.031 1.00 0.00 C ATOM 224 OD1 ASP A 29 -4.364 20.446 4.894 1.00 0.00 O ATOM 225 OD2 ASP A 29 -2.392 20.082 5.775 1.00 0.00 O ATOM 0 H ASP A 29 -2.798 15.846 5.960 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.990 17.585 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.193 18.134 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.615 18.566 3.259 1.00 0.00 H new ATOM 226 N ILE A 30 -3.250 15.260 3.519 1.00 0.00 N ATOM 227 CA ILE A 30 -3.260 14.317 2.366 1.00 0.00 C ATOM 228 C ILE A 30 -4.375 13.243 2.565 1.00 0.00 C ATOM 229 O ILE A 30 -4.316 12.392 3.459 1.00 0.00 O ATOM 230 CB ILE A 30 -1.805 13.744 2.133 1.00 0.00 C ATOM 231 CG1 ILE A 30 -0.847 14.729 1.383 1.00 0.00 C ATOM 232 CG2 ILE A 30 -1.761 12.400 1.356 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.434 16.004 2.135 1.00 0.00 C ATOM 0 H ILE A 30 -2.393 15.203 4.070 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.521 14.829 1.440 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.461 13.589 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.059 14.184 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.327 15.026 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.725 12.080 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.316 11.642 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.211 12.534 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.229 16.599 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.322 16.587 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.085 15.732 3.054 1.00 0.00 H new ATOM 234 N ASP A 31 -5.383 13.355 1.693 1.00 0.00 N ATOM 235 CA ASP A 31 -6.657 12.596 1.797 1.00 0.00 C ATOM 236 C ASP A 31 -6.700 11.342 0.868 1.00 0.00 C ATOM 237 O ASP A 31 -6.992 10.245 1.349 1.00 0.00 O ATOM 238 CB ASP A 31 -7.831 13.566 1.539 1.00 0.00 C ATOM 239 CG ASP A 31 -9.212 13.116 2.042 1.00 0.00 C ATOM 240 OD1 ASP A 31 -9.648 11.991 1.711 1.00 0.00 O ATOM 241 OD2 ASP A 31 -9.872 13.891 2.766 1.00 0.00 O ATOM 0 H ASP A 31 -5.348 13.977 0.885 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.741 12.190 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.593 14.522 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.899 13.742 0.465 1.00 0.00 H new ATOM 242 N ASP A 32 -6.463 11.524 -0.451 1.00 0.00 N ATOM 243 CA ASP A 32 -6.530 10.440 -1.466 1.00 0.00 C ATOM 244 C ASP A 32 -5.144 9.754 -1.596 1.00 0.00 C ATOM 245 O ASP A 32 -4.087 10.396 -1.615 1.00 0.00 O ATOM 246 CB ASP A 32 -6.973 11.099 -2.807 1.00 0.00 C ATOM 247 CG ASP A 32 -7.225 10.175 -4.007 1.00 0.00 C ATOM 248 OD1 ASP A 32 -6.248 9.647 -4.584 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.399 9.984 -4.390 1.00 0.00 O ATOM 0 H ASP A 32 -6.218 12.432 -0.847 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.243 9.666 -1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.888 11.661 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.209 11.821 -3.094 1.00 0.00 H new ATOM 250 N ILE A 33 -5.182 8.422 -1.701 1.00 0.00 N ATOM 251 CA ILE A 33 -3.974 7.592 -1.987 1.00 0.00 C ATOM 252 C ILE A 33 -4.412 6.584 -3.112 1.00 0.00 C ATOM 253 O ILE A 33 -5.606 6.353 -3.360 1.00 0.00 O ATOM 254 CB ILE A 33 -3.340 6.978 -0.669 1.00 0.00 C ATOM 255 CG1 ILE A 33 -2.969 7.999 0.462 1.00 0.00 C ATOM 256 CG2 ILE A 33 -2.068 6.130 -0.946 1.00 0.00 C ATOM 257 CD1 ILE A 33 -4.077 8.281 1.489 1.00 0.00 C ATOM 0 H ILE A 33 -6.038 7.878 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.131 8.171 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.162 6.360 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.093 7.625 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.681 8.941 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.681 5.737 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.320 5.302 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.310 6.755 -1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.716 8.999 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.949 8.691 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.352 7.354 1.991 1.00 0.00 H new ATOM 258 N LYS A 34 -3.450 6.004 -3.854 1.00 0.00 N ATOM 259 CA LYS A 34 -3.753 5.079 -4.983 1.00 0.00 C ATOM 260 C LYS A 34 -2.631 4.041 -5.164 1.00 0.00 C ATOM 261 O LYS A 34 -1.449 4.374 -5.096 1.00 0.00 O ATOM 262 CB LYS A 34 -3.984 5.935 -6.273 1.00 0.00 C ATOM 263 CG LYS A 34 -4.458 5.211 -7.560 1.00 0.00 C ATOM 264 CD LYS A 34 -3.372 4.604 -8.480 1.00 0.00 C ATOM 265 CE LYS A 34 -2.337 5.550 -9.109 1.00 0.00 C ATOM 266 NZ LYS A 34 -2.921 6.576 -9.993 1.00 0.00 N ATOM 0 H LYS A 34 -2.453 6.154 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.658 4.510 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.718 6.704 -6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.050 6.447 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.135 4.409 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.040 5.919 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.830 3.854 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.878 4.079 -9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.781 6.045 -8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.620 4.960 -9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.163 7.174 -10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.428 6.113 -10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.585 7.165 -9.450 1.00 0.00 H new ATOM 267 N TRP A 35 -3.033 2.790 -5.454 1.00 0.00 N ATOM 268 CA TRP A 35 -2.103 1.691 -5.809 1.00 0.00 C ATOM 269 C TRP A 35 -2.624 1.025 -7.130 1.00 0.00 C ATOM 270 O TRP A 35 -3.716 0.435 -7.196 1.00 0.00 O ATOM 271 CB TRP A 35 -1.955 0.720 -4.608 1.00 0.00 C ATOM 272 CG TRP A 35 -1.052 1.271 -3.473 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.467 1.901 -2.301 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.309 1.199 -3.337 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.428 2.225 -1.424 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.678 1.794 -2.103 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.258 0.574 -4.137 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.027 1.815 -1.701 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.590 0.570 -3.714 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.970 1.186 -2.512 1.00 0.00 C ATOM 0 H TRP A 35 -4.013 2.508 -5.450 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.094 2.052 -6.009 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -2.943 0.504 -4.202 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.543 -0.224 -4.963 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.503 2.120 -2.089 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.481 2.671 -0.508 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.972 0.102 -5.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.324 2.307 -0.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.339 0.085 -4.322 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.007 1.173 -2.211 1.00 0.00 H new ATOM 281 N GLU A 36 -1.786 1.183 -8.179 1.00 0.00 N ATOM 282 CA GLU A 36 -1.987 0.601 -9.540 1.00 0.00 C ATOM 283 C GLU A 36 -1.009 -0.593 -9.798 1.00 0.00 C ATOM 284 O GLU A 36 -0.263 -0.993 -8.898 1.00 0.00 O ATOM 285 CB GLU A 36 -1.913 1.733 -10.621 1.00 0.00 C ATOM 286 CG GLU A 36 -0.540 2.357 -10.956 1.00 0.00 C ATOM 287 CD GLU A 36 -0.577 3.262 -12.194 1.00 0.00 C ATOM 288 OE1 GLU A 36 -0.633 2.736 -13.326 1.00 0.00 O ATOM 289 OE2 GLU A 36 -0.542 4.504 -12.040 1.00 0.00 O ATOM 0 H GLU A 36 -0.928 1.731 -8.109 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.985 0.169 -9.610 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.328 1.333 -11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.572 2.540 -10.299 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.192 2.936 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.185 1.560 -11.118 1.00 0.00 H new ATOM 290 N LYS A 37 -1.013 -1.172 -11.027 1.00 0.00 N ATOM 291 CA LYS A 37 -0.091 -2.295 -11.373 1.00 0.00 C ATOM 292 C LYS A 37 0.696 -1.965 -12.666 1.00 0.00 C ATOM 293 O LYS A 37 0.113 -1.513 -13.657 1.00 0.00 O ATOM 294 CB LYS A 37 -0.840 -3.647 -11.522 1.00 0.00 C ATOM 295 CG LYS A 37 -1.648 -4.103 -10.279 1.00 0.00 C ATOM 296 CD LYS A 37 -2.048 -5.591 -10.278 1.00 0.00 C ATOM 297 CE LYS A 37 -2.967 -6.077 -11.417 1.00 0.00 C ATOM 298 NZ LYS A 37 -4.343 -5.560 -11.307 1.00 0.00 N ATOM 0 H LYS A 37 -1.632 -0.888 -11.786 1.00 0.00 H new ATOM 0 HA LYS A 37 0.610 -2.407 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.521 -3.574 -12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.112 -4.421 -11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.058 -3.899 -9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.552 -3.498 -10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.135 -6.186 -10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.542 -5.807 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.545 -5.769 -12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.993 -7.167 -11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.913 -5.920 -12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.761 -5.874 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.327 -4.521 -11.336 1.00 0.00 H new ATOM 299 N THR A 38 2.019 -2.235 -12.676 1.00 0.00 N ATOM 300 CA THR A 38 2.877 -1.984 -13.884 1.00 0.00 C ATOM 301 C THR A 38 2.720 -3.001 -15.070 1.00 0.00 C ATOM 302 O THR A 38 3.093 -2.643 -16.191 1.00 0.00 O ATOM 303 CB THR A 38 4.385 -1.784 -13.546 1.00 0.00 C ATOM 304 OG1 THR A 38 5.012 -3.027 -13.270 1.00 0.00 O ATOM 305 CG2 THR A 38 4.702 -0.804 -12.401 1.00 0.00 C ATOM 0 H THR A 38 2.524 -2.622 -11.879 1.00 0.00 H new ATOM 0 HA THR A 38 2.469 -1.041 -14.249 1.00 0.00 H new ATOM 0 HB THR A 38 4.786 -1.323 -14.449 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.982 -2.900 -13.220 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.781 -0.748 -12.259 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.317 0.185 -12.651 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.232 -1.154 -11.482 1.00 0.00 H new ATOM 306 N SER A 39 2.203 -4.232 -14.843 1.00 0.00 N ATOM 307 CA SER A 39 2.052 -5.287 -15.891 1.00 0.00 C ATOM 308 C SER A 39 1.332 -4.861 -17.207 1.00 0.00 C ATOM 309 O SER A 39 1.884 -5.087 -18.289 1.00 0.00 O ATOM 310 CB SER A 39 1.399 -6.533 -15.243 1.00 0.00 C ATOM 311 OG SER A 39 1.439 -7.649 -16.124 1.00 0.00 O ATOM 0 H SER A 39 1.875 -4.529 -13.924 1.00 0.00 H new ATOM 0 HA SER A 39 3.058 -5.511 -16.245 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.918 -6.779 -14.316 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.365 -6.310 -14.980 1.00 0.00 H new ATOM 0 HG SER A 39 1.022 -8.423 -15.691 1.00 0.00 H new ATOM 312 N ASP A 40 0.148 -4.225 -17.112 1.00 0.00 N ATOM 313 CA ASP A 40 -0.510 -3.537 -18.261 1.00 0.00 C ATOM 314 C ASP A 40 -0.855 -2.019 -18.044 1.00 0.00 C ATOM 315 O ASP A 40 -1.525 -1.444 -18.907 1.00 0.00 O ATOM 316 CB ASP A 40 -1.730 -4.383 -18.735 1.00 0.00 C ATOM 317 CG ASP A 40 -2.941 -4.466 -17.786 1.00 0.00 C ATOM 318 OD1 ASP A 40 -3.835 -3.597 -17.869 1.00 0.00 O ATOM 319 OD2 ASP A 40 -2.998 -5.404 -16.957 1.00 0.00 O ATOM 0 H ASP A 40 -0.385 -4.169 -16.244 1.00 0.00 H new ATOM 0 HA ASP A 40 0.231 -3.487 -19.059 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.074 -3.977 -19.686 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.383 -5.398 -18.929 1.00 0.00 H new ATOM 320 N LYS A 41 -0.426 -1.362 -16.935 1.00 0.00 N ATOM 321 CA LYS A 41 -0.875 0.006 -16.536 1.00 0.00 C ATOM 322 C LYS A 41 -2.351 -0.072 -16.046 1.00 0.00 C ATOM 323 O LYS A 41 -3.280 0.128 -16.836 1.00 0.00 O ATOM 324 CB LYS A 41 -0.557 1.102 -17.600 1.00 0.00 C ATOM 325 CG LYS A 41 -0.592 2.573 -17.118 1.00 0.00 C ATOM 326 CD LYS A 41 -1.980 3.262 -17.170 1.00 0.00 C ATOM 327 CE LYS A 41 -1.985 4.763 -16.807 1.00 0.00 C ATOM 328 NZ LYS A 41 -1.397 5.626 -17.851 1.00 0.00 N ATOM 0 H LYS A 41 0.247 -1.767 -16.284 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.284 0.357 -15.690 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.433 0.902 -18.009 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.267 0.996 -18.420 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.227 2.609 -16.092 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.104 3.152 -17.725 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.387 3.147 -18.174 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.653 2.738 -16.491 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.011 5.080 -16.621 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.434 4.905 -15.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.433 6.618 -17.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.408 5.349 -18.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.936 5.519 -18.734 1.00 0.00 H new ATOM 329 N LYS A 42 -2.532 -0.449 -14.765 1.00 0.00 N ATOM 330 CA LYS A 42 -3.845 -0.921 -14.253 1.00 0.00 C ATOM 331 C LYS A 42 -4.165 -0.304 -12.877 1.00 0.00 C ATOM 332 O LYS A 42 -3.792 -0.868 -11.847 1.00 0.00 O ATOM 333 CB LYS A 42 -3.890 -2.478 -14.284 1.00 0.00 C ATOM 334 CG LYS A 42 -5.237 -3.156 -13.941 1.00 0.00 C ATOM 335 CD LYS A 42 -6.345 -2.978 -15.000 1.00 0.00 C ATOM 336 CE LYS A 42 -7.629 -3.782 -14.716 1.00 0.00 C ATOM 337 NZ LYS A 42 -7.462 -5.232 -14.938 1.00 0.00 N ATOM 0 H LYS A 42 -1.792 -0.438 -14.064 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.645 -0.573 -14.906 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.592 -2.804 -15.281 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.138 -2.851 -13.589 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.063 -4.222 -13.795 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.595 -2.758 -12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.600 -1.920 -15.068 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.953 -3.274 -15.973 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.938 -3.611 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.431 -3.412 -15.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.357 -5.720 -14.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.195 -5.403 -15.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.717 -5.596 -14.311 1.00 0.00 H new ATOM 338 N LYS A 43 -4.932 0.812 -12.869 1.00 0.00 N ATOM 339 CA LYS A 43 -5.451 1.433 -11.620 1.00 0.00 C ATOM 340 C LYS A 43 -6.597 0.561 -11.038 1.00 0.00 C ATOM 341 O LYS A 43 -7.762 0.686 -11.432 1.00 0.00 O ATOM 342 CB LYS A 43 -5.832 2.914 -11.910 1.00 0.00 C ATOM 343 CG LYS A 43 -6.240 3.762 -10.676 1.00 0.00 C ATOM 344 CD LYS A 43 -7.749 4.008 -10.469 1.00 0.00 C ATOM 345 CE LYS A 43 -8.356 5.024 -11.452 1.00 0.00 C ATOM 346 NZ LYS A 43 -9.793 5.216 -11.204 1.00 0.00 N ATOM 0 H LYS A 43 -5.208 1.306 -13.718 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.691 1.466 -10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.985 3.399 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.657 2.924 -12.623 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.850 3.273 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.745 4.730 -10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.278 3.060 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.913 4.360 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.838 5.978 -11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.204 4.679 -12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.173 5.906 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.289 4.309 -11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.934 5.568 -10.236 1.00 0.00 H new ATOM 347 N ILE A 44 -6.210 -0.360 -10.136 1.00 0.00 N ATOM 348 CA ILE A 44 -7.113 -1.414 -9.601 1.00 0.00 C ATOM 349 C ILE A 44 -7.717 -1.008 -8.221 1.00 0.00 C ATOM 350 O ILE A 44 -8.925 -1.200 -8.056 1.00 0.00 O ATOM 351 CB ILE A 44 -6.455 -2.846 -9.684 1.00 0.00 C ATOM 352 CG1 ILE A 44 -7.432 -3.978 -10.124 1.00 0.00 C ATOM 353 CG2 ILE A 44 -5.607 -3.276 -8.460 1.00 0.00 C ATOM 354 CD1 ILE A 44 -8.753 -4.136 -9.353 1.00 0.00 C ATOM 0 H ILE A 44 -5.265 -0.400 -9.754 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.986 -1.498 -10.248 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.738 -2.707 -10.493 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.676 -3.818 -11.174 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.895 -4.924 -10.062 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.205 -4.275 -8.629 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.785 -2.573 -8.322 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.233 -3.282 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.324 -4.963 -9.775 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.540 -4.340 -8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.333 -3.217 -9.433 1.00 0.00 H new ATOM 355 N ALA A 45 -6.929 -0.496 -7.241 1.00 0.00 N ATOM 356 CA ALA A 45 -7.452 -0.200 -5.890 1.00 0.00 C ATOM 357 C ALA A 45 -7.108 1.238 -5.458 1.00 0.00 C ATOM 358 O ALA A 45 -6.002 1.728 -5.730 1.00 0.00 O ATOM 359 CB ALA A 45 -6.826 -1.198 -4.924 1.00 0.00 C ATOM 0 H ALA A 45 -5.939 -0.283 -7.363 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.539 -0.286 -5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.192 -1.007 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.096 -2.211 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.741 -1.091 -4.943 1.00 0.00 H new ATOM 360 N GLN A 46 -8.059 1.922 -4.793 1.00 0.00 N ATOM 361 CA GLN A 46 -7.908 3.381 -4.522 1.00 0.00 C ATOM 362 C GLN A 46 -8.749 3.846 -3.297 1.00 0.00 C ATOM 363 O GLN A 46 -9.831 3.336 -2.981 1.00 0.00 O ATOM 364 CB GLN A 46 -8.355 4.181 -5.794 1.00 0.00 C ATOM 365 CG GLN A 46 -7.891 5.653 -5.906 1.00 0.00 C ATOM 366 CD GLN A 46 -8.831 6.534 -6.746 1.00 0.00 C ATOM 367 OE1 GLN A 46 -8.792 6.527 -7.976 1.00 0.00 O ATOM 368 NE2 GLN A 46 -9.699 7.298 -6.097 1.00 0.00 N ATOM 0 H GLN A 46 -8.922 1.509 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.861 3.572 -4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.995 3.646 -6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.444 4.166 -5.836 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.809 6.076 -4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.894 5.678 -6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.720 7.293 -5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.346 7.890 -6.618 1.00 0.00 H new ATOM 369 N PHE A 47 -8.209 4.895 -2.675 1.00 0.00 N ATOM 370 CA PHE A 47 -8.748 5.588 -1.485 1.00 0.00 C ATOM 371 C PHE A 47 -9.154 7.014 -1.920 1.00 0.00 C ATOM 372 O PHE A 47 -8.344 7.706 -2.561 1.00 0.00 O ATOM 373 CB PHE A 47 -7.630 5.829 -0.427 1.00 0.00 C ATOM 374 CG PHE A 47 -6.718 4.681 0.022 1.00 0.00 C ATOM 375 CD1 PHE A 47 -5.733 4.210 -0.854 1.00 0.00 C ATOM 376 CD2 PHE A 47 -6.654 4.340 1.372 1.00 0.00 C ATOM 377 CE1 PHE A 47 -4.630 3.544 -0.359 1.00 0.00 C ATOM 378 CE2 PHE A 47 -5.569 3.615 1.858 1.00 0.00 C ATOM 379 CZ PHE A 47 -4.548 3.241 0.989 1.00 0.00 C ATOM 0 H PHE A 47 -7.337 5.313 -2.999 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.561 4.984 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.986 6.618 -0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.114 6.223 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.836 4.368 -1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.447 4.638 2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.829 3.259 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.520 3.345 2.902 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.687 2.711 1.369 1.00 0.00 H new ATOM 380 N ARG A 48 -10.307 7.506 -1.426 1.00 0.00 N ATOM 381 CA ARG A 48 -10.545 8.971 -1.361 1.00 0.00 C ATOM 382 C ARG A 48 -11.148 9.365 0.023 1.00 0.00 C ATOM 383 O ARG A 48 -10.411 9.309 1.012 1.00 0.00 O ATOM 384 CB ARG A 48 -11.260 9.464 -2.659 1.00 0.00 C ATOM 385 CG ARG A 48 -11.258 11.002 -2.866 1.00 0.00 C ATOM 386 CD ARG A 48 -11.894 11.483 -4.189 1.00 0.00 C ATOM 387 NE ARG A 48 -13.361 11.264 -4.272 1.00 0.00 N ATOM 388 CZ ARG A 48 -14.304 12.159 -3.907 1.00 0.00 C ATOM 389 NH1 ARG A 48 -14.036 13.357 -3.396 1.00 0.00 N ATOM 390 NH2 ARG A 48 -15.571 11.823 -4.066 1.00 0.00 N ATOM 0 H ARG A 48 -11.073 6.932 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.615 9.539 -1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.781 8.996 -3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.293 9.116 -2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.789 11.466 -2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -10.229 11.358 -2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.689 12.546 -4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.413 10.967 -5.020 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.682 10.366 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.068 13.648 -3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.798 13.985 -3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.812 10.911 -4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.309 12.475 -3.801 1.00 0.00 H new ATOM 391 N LYS A 49 -12.426 9.804 0.104 1.00 0.00 N ATOM 392 CA LYS A 49 -12.969 10.499 1.306 1.00 0.00 C ATOM 393 C LYS A 49 -14.388 9.952 1.615 1.00 0.00 C ATOM 394 O LYS A 49 -15.339 10.217 0.873 1.00 0.00 O ATOM 395 CB LYS A 49 -12.993 12.034 1.057 1.00 0.00 C ATOM 396 CG LYS A 49 -13.296 12.877 2.316 1.00 0.00 C ATOM 397 CD LYS A 49 -13.302 14.394 2.055 1.00 0.00 C ATOM 398 CE LYS A 49 -13.596 15.211 3.328 1.00 0.00 C ATOM 399 NZ LYS A 49 -13.625 16.657 3.052 1.00 0.00 N ATOM 0 H LYS A 49 -13.106 9.691 -0.648 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.332 10.309 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.028 12.340 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.742 12.255 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.266 12.582 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.554 12.651 3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.335 14.694 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.051 14.626 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.554 14.901 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.836 14.999 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.825 17.174 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.703 16.957 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.367 16.862 2.353 1.00 0.00 H new ATOM 400 N GLU A 50 -14.517 9.236 2.755 1.00 0.00 N ATOM 401 CA GLU A 50 -15.831 8.833 3.359 1.00 0.00 C ATOM 402 C GLU A 50 -16.851 8.134 2.395 1.00 0.00 C ATOM 403 O GLU A 50 -18.020 8.527 2.302 1.00 0.00 O ATOM 404 CB GLU A 50 -16.454 10.025 4.153 1.00 0.00 C ATOM 405 CG GLU A 50 -15.649 10.514 5.378 1.00 0.00 C ATOM 406 CD GLU A 50 -16.259 11.768 6.009 1.00 0.00 C ATOM 407 OE1 GLU A 50 -15.921 12.890 5.571 1.00 0.00 O ATOM 408 OE2 GLU A 50 -17.086 11.636 6.939 1.00 0.00 O ATOM 0 H GLU A 50 -13.713 8.914 3.294 1.00 0.00 H new ATOM 0 HA GLU A 50 -15.592 8.030 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.583 10.864 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.448 9.732 4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.606 9.719 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.623 10.724 5.076 1.00 0.00 H new ATOM 409 N LYS A 51 -16.383 7.109 1.665 1.00 0.00 N ATOM 410 CA LYS A 51 -17.166 6.426 0.576 1.00 0.00 C ATOM 411 C LYS A 51 -16.872 4.915 0.284 1.00 0.00 C ATOM 412 O LYS A 51 -17.298 4.343 -0.723 1.00 0.00 O ATOM 413 CB LYS A 51 -17.012 7.269 -0.725 1.00 0.00 C ATOM 414 CG LYS A 51 -18.231 8.155 -1.076 1.00 0.00 C ATOM 415 CD LYS A 51 -18.061 9.007 -2.349 1.00 0.00 C ATOM 416 CE LYS A 51 -17.967 8.194 -3.655 1.00 0.00 C ATOM 417 NZ LYS A 51 -17.849 9.069 -4.834 1.00 0.00 N ATOM 0 H LYS A 51 -15.451 6.716 1.799 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.188 6.387 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -16.134 7.907 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.821 6.593 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.105 7.515 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.435 8.818 -0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.902 9.696 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.161 9.613 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.105 7.528 -3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.851 7.564 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.251 8.589 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.367 9.955 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.846 9.283 -5.009 1.00 0.00 H new ATOM 418 N GLU A 52 -16.146 4.315 1.214 1.00 0.00 N ATOM 419 CA GLU A 52 -15.444 3.009 1.089 1.00 0.00 C ATOM 420 C GLU A 52 -14.184 3.122 0.179 1.00 0.00 C ATOM 421 O GLU A 52 -14.278 3.502 -0.994 1.00 0.00 O ATOM 422 CB GLU A 52 -16.364 1.807 0.708 1.00 0.00 C ATOM 423 CG GLU A 52 -15.754 0.423 1.014 1.00 0.00 C ATOM 424 CD GLU A 52 -16.646 -0.740 0.574 1.00 0.00 C ATOM 425 OE1 GLU A 52 -17.579 -1.106 1.322 1.00 0.00 O ATOM 426 OE2 GLU A 52 -16.412 -1.300 -0.523 1.00 0.00 O ATOM 0 H GLU A 52 -16.012 4.734 2.134 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.102 2.765 2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -17.308 1.902 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -16.594 1.863 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.788 0.341 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.567 0.344 2.085 1.00 0.00 H new ATOM 427 N THR A 53 -13.019 2.711 0.720 1.00 0.00 N ATOM 428 CA THR A 53 -11.781 2.478 -0.074 1.00 0.00 C ATOM 429 C THR A 53 -11.952 1.146 -0.867 1.00 0.00 C ATOM 430 O THR A 53 -12.089 0.075 -0.263 1.00 0.00 O ATOM 431 CB THR A 53 -10.559 2.451 0.895 1.00 0.00 C ATOM 432 OG1 THR A 53 -10.406 3.722 1.523 1.00 0.00 O ATOM 433 CG2 THR A 53 -9.218 2.115 0.225 1.00 0.00 C ATOM 0 H THR A 53 -12.903 2.530 1.717 1.00 0.00 H new ATOM 0 HA THR A 53 -11.605 3.276 -0.795 1.00 0.00 H new ATOM 0 HB THR A 53 -10.786 1.656 1.606 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.852 3.626 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.426 2.119 0.974 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.278 1.128 -0.235 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.997 2.859 -0.540 1.00 0.00 H new ATOM 434 N PHE A 54 -11.973 1.232 -2.214 1.00 0.00 N ATOM 435 CA PHE A 54 -12.396 0.092 -3.069 1.00 0.00 C ATOM 436 C PHE A 54 -11.213 -0.885 -3.351 1.00 0.00 C ATOM 437 O PHE A 54 -10.202 -0.491 -3.948 1.00 0.00 O ATOM 438 CB PHE A 54 -13.184 0.577 -4.329 1.00 0.00 C ATOM 439 CG PHE A 54 -12.445 0.818 -5.665 1.00 0.00 C ATOM 440 CD1 PHE A 54 -11.851 2.052 -5.958 1.00 0.00 C ATOM 441 CD2 PHE A 54 -12.398 -0.208 -6.619 1.00 0.00 C ATOM 442 CE1 PHE A 54 -11.228 2.255 -7.190 1.00 0.00 C ATOM 443 CE2 PHE A 54 -11.775 0.001 -7.847 1.00 0.00 C ATOM 444 CZ PHE A 54 -11.185 1.229 -8.130 1.00 0.00 C ATOM 0 H PHE A 54 -11.706 2.068 -2.733 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.117 -0.512 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.968 -0.156 -4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.679 1.510 -4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.875 2.848 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.847 -1.166 -6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -10.778 3.211 -7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.750 -0.791 -8.581 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.694 1.386 -9.079 1.00 0.00 H new ATOM 445 N LYS A 55 -11.411 -2.160 -2.954 1.00 0.00 N ATOM 446 CA LYS A 55 -10.760 -3.329 -3.603 1.00 0.00 C ATOM 447 C LYS A 55 -11.719 -4.556 -3.421 1.00 0.00 C ATOM 448 O LYS A 55 -12.879 -4.476 -3.840 1.00 0.00 O ATOM 449 CB LYS A 55 -9.256 -3.477 -3.199 1.00 0.00 C ATOM 450 CG LYS A 55 -8.421 -4.588 -3.885 1.00 0.00 C ATOM 451 CD LYS A 55 -8.631 -4.809 -5.404 1.00 0.00 C ATOM 452 CE LYS A 55 -7.779 -5.940 -6.012 1.00 0.00 C ATOM 453 NZ LYS A 55 -8.213 -7.285 -5.588 1.00 0.00 N ATOM 0 H LYS A 55 -12.023 -2.412 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.643 -3.208 -4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.764 -2.524 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.215 -3.646 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.367 -4.366 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.632 -5.529 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.684 -5.028 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.405 -3.880 -5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.824 -5.876 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.737 -5.795 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.378 -7.874 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.791 -7.208 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.776 -7.723 -6.345 1.00 0.00 H new ATOM 454 N GLU A 56 -11.253 -5.701 -2.867 1.00 0.00 N ATOM 455 CA GLU A 56 -12.020 -6.978 -2.832 1.00 0.00 C ATOM 456 C GLU A 56 -11.291 -7.952 -1.854 1.00 0.00 C ATOM 457 O GLU A 56 -10.144 -8.341 -2.100 1.00 0.00 O ATOM 458 CB GLU A 56 -12.159 -7.587 -4.263 1.00 0.00 C ATOM 459 CG GLU A 56 -13.239 -8.680 -4.404 1.00 0.00 C ATOM 460 CD GLU A 56 -13.316 -9.244 -5.824 1.00 0.00 C ATOM 461 OE1 GLU A 56 -12.585 -10.213 -6.130 1.00 0.00 O ATOM 462 OE2 GLU A 56 -14.106 -8.721 -6.642 1.00 0.00 O ATOM 0 H GLU A 56 -10.334 -5.769 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.035 -6.800 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.384 -6.783 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.197 -8.007 -4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.026 -9.489 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.209 -8.267 -4.127 1.00 0.00 H new ATOM 463 N LYS A 57 -11.977 -8.359 -0.759 1.00 0.00 N ATOM 464 CA LYS A 57 -11.480 -9.367 0.238 1.00 0.00 C ATOM 465 C LYS A 57 -10.320 -8.849 1.148 1.00 0.00 C ATOM 466 O LYS A 57 -9.600 -7.918 0.775 1.00 0.00 O ATOM 467 CB LYS A 57 -11.133 -10.778 -0.348 1.00 0.00 C ATOM 468 CG LYS A 57 -12.074 -11.437 -1.385 1.00 0.00 C ATOM 469 CD LYS A 57 -13.541 -11.639 -0.957 1.00 0.00 C ATOM 470 CE LYS A 57 -14.379 -12.287 -2.077 1.00 0.00 C ATOM 471 NZ LYS A 57 -15.781 -12.492 -1.671 1.00 0.00 N ATOM 0 H LYS A 57 -12.903 -7.999 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.357 -9.508 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.146 -10.706 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.045 -11.466 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.064 -10.828 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.660 -12.410 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.577 -12.267 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.977 -10.677 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.348 -11.655 -2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.938 -13.245 -2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.308 -12.930 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.814 -13.116 -0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.211 -11.575 -1.433 1.00 0.00 H new ATOM 472 N ASP A 58 -10.074 -9.499 2.312 1.00 0.00 N ATOM 473 CA ASP A 58 -8.812 -9.279 3.110 1.00 0.00 C ATOM 474 C ASP A 58 -7.475 -9.605 2.387 1.00 0.00 C ATOM 475 O ASP A 58 -6.469 -8.923 2.606 1.00 0.00 O ATOM 476 CB ASP A 58 -8.726 -9.993 4.486 1.00 0.00 C ATOM 477 CG ASP A 58 -9.975 -9.964 5.374 1.00 0.00 C ATOM 478 OD1 ASP A 58 -10.254 -8.909 5.992 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.684 -10.990 5.459 1.00 0.00 O ATOM 0 H ASP A 58 -10.716 -10.175 2.727 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.917 -8.203 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.463 -11.036 4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.904 -9.547 5.046 1.00 0.00 H new ATOM 480 N THR A 59 -7.503 -10.647 1.533 1.00 0.00 N ATOM 481 CA THR A 59 -6.389 -11.011 0.611 1.00 0.00 C ATOM 482 C THR A 59 -5.756 -9.871 -0.247 1.00 0.00 C ATOM 483 O THR A 59 -4.598 -9.993 -0.651 1.00 0.00 O ATOM 484 CB THR A 59 -6.741 -12.220 -0.304 1.00 0.00 C ATOM 485 OG1 THR A 59 -7.738 -11.872 -1.259 1.00 0.00 O ATOM 486 CG2 THR A 59 -7.187 -13.508 0.413 1.00 0.00 C ATOM 0 H THR A 59 -8.306 -11.272 1.457 1.00 0.00 H new ATOM 0 HA THR A 59 -5.610 -11.282 1.323 1.00 0.00 H new ATOM 0 HB THR A 59 -5.789 -12.451 -0.781 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.938 -12.649 -1.821 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.405 -14.279 -0.326 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.390 -13.852 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.082 -13.306 1.001 1.00 0.00 H new ATOM 487 N TYR A 60 -6.506 -8.784 -0.512 1.00 0.00 N ATOM 488 CA TYR A 60 -5.954 -7.532 -1.061 1.00 0.00 C ATOM 489 C TYR A 60 -6.920 -6.431 -0.568 1.00 0.00 C ATOM 490 O TYR A 60 -8.058 -6.332 -1.041 1.00 0.00 O ATOM 491 CB TYR A 60 -5.887 -7.643 -2.599 1.00 0.00 C ATOM 492 CG TYR A 60 -4.992 -6.669 -3.366 1.00 0.00 C ATOM 493 CD1 TYR A 60 -4.756 -5.333 -2.996 1.00 0.00 C ATOM 494 CD2 TYR A 60 -4.465 -7.138 -4.568 1.00 0.00 C ATOM 495 CE1 TYR A 60 -4.096 -4.487 -3.874 1.00 0.00 C ATOM 496 CE2 TYR A 60 -3.820 -6.285 -5.447 1.00 0.00 C ATOM 497 CZ TYR A 60 -3.705 -4.934 -5.134 1.00 0.00 C ATOM 498 OH TYR A 60 -3.147 -4.077 -6.046 1.00 0.00 O ATOM 0 H TYR A 60 -7.513 -8.750 -0.351 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.937 -7.310 -0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.562 -8.654 -2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.901 -7.533 -2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.087 -4.969 -2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.561 -8.184 -4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.883 -3.471 -3.578 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.409 -6.666 -6.370 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.230 -3.862 -5.775 1.00 0.00 H new ATOM 499 N LYS A 61 -6.467 -5.640 0.417 1.00 0.00 N ATOM 500 CA LYS A 61 -7.344 -4.675 1.120 1.00 0.00 C ATOM 501 C LYS A 61 -6.560 -3.382 1.417 1.00 0.00 C ATOM 502 O LYS A 61 -5.638 -3.349 2.228 1.00 0.00 O ATOM 503 CB LYS A 61 -7.971 -5.317 2.393 1.00 0.00 C ATOM 504 CG LYS A 61 -9.233 -4.619 2.956 1.00 0.00 C ATOM 505 CD LYS A 61 -10.597 -5.026 2.349 1.00 0.00 C ATOM 506 CE LYS A 61 -10.833 -4.628 0.878 1.00 0.00 C ATOM 507 NZ LYS A 61 -12.187 -4.977 0.423 1.00 0.00 N ATOM 0 H LYS A 61 -5.502 -5.645 0.748 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.182 -4.405 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.224 -6.353 2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.213 -5.338 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.272 -4.806 4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.112 -3.544 2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.700 -6.108 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.388 -4.583 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.677 -3.555 0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.098 -5.126 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.304 -4.692 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.328 -6.004 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.889 -4.482 1.010 1.00 0.00 H new ATOM 508 N LEU A 62 -6.976 -2.296 0.757 1.00 0.00 N ATOM 509 CA LEU A 62 -6.403 -0.948 0.951 1.00 0.00 C ATOM 510 C LEU A 62 -7.139 -0.267 2.159 1.00 0.00 C ATOM 511 O LEU A 62 -8.374 -0.244 2.198 1.00 0.00 O ATOM 512 CB LEU A 62 -6.554 -0.240 -0.430 1.00 0.00 C ATOM 513 CG LEU A 62 -5.503 -0.399 -1.553 1.00 0.00 C ATOM 514 CD1 LEU A 62 -4.102 0.089 -1.191 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.333 -1.803 -2.086 1.00 0.00 C ATOM 0 H LEU A 62 -7.726 -2.322 0.066 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.348 -0.921 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.509 -0.562 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.639 0.828 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.943 0.238 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.434 -0.062 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.139 1.150 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.732 -0.472 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.574 -1.806 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.023 -2.464 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.280 -2.153 -2.498 1.00 0.00 H new ATOM 516 N PHE A 63 -6.378 0.235 3.166 1.00 0.00 N ATOM 517 CA PHE A 63 -6.920 0.731 4.468 1.00 0.00 C ATOM 518 C PHE A 63 -7.705 2.089 4.347 1.00 0.00 C ATOM 519 O PHE A 63 -8.653 2.166 3.563 1.00 0.00 O ATOM 520 CB PHE A 63 -5.688 0.689 5.442 1.00 0.00 C ATOM 521 CG PHE A 63 -5.915 0.985 6.940 1.00 0.00 C ATOM 522 CD1 PHE A 63 -6.876 0.284 7.681 1.00 0.00 C ATOM 523 CD2 PHE A 63 -5.150 1.975 7.576 1.00 0.00 C ATOM 524 CE1 PHE A 63 -7.078 0.577 9.027 1.00 0.00 C ATOM 525 CE2 PHE A 63 -5.354 2.262 8.923 1.00 0.00 C ATOM 526 CZ PHE A 63 -6.316 1.563 9.648 1.00 0.00 C ATOM 0 H PHE A 63 -5.363 0.309 3.101 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.719 0.109 4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.240 -0.302 5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.951 1.402 5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.463 -0.488 7.205 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.400 2.516 7.018 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.826 0.039 9.590 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.765 3.028 9.406 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.471 1.786 10.693 1.00 0.00 H new ATOM 527 N LYS A 64 -7.363 3.128 5.133 1.00 0.00 N ATOM 528 CA LYS A 64 -8.004 4.469 5.074 1.00 0.00 C ATOM 529 C LYS A 64 -6.946 5.578 5.310 1.00 0.00 C ATOM 530 O LYS A 64 -6.769 6.432 4.433 1.00 0.00 O ATOM 531 CB LYS A 64 -9.230 4.669 6.017 1.00 0.00 C ATOM 532 CG LYS A 64 -10.457 3.738 5.850 1.00 0.00 C ATOM 533 CD LYS A 64 -10.460 2.460 6.723 1.00 0.00 C ATOM 534 CE LYS A 64 -10.721 2.726 8.221 1.00 0.00 C ATOM 535 NZ LYS A 64 -10.787 1.475 8.999 1.00 0.00 N ATOM 0 H LYS A 64 -6.627 3.066 5.836 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.417 4.542 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.877 4.570 7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.575 5.696 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.357 4.311 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.523 3.440 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.222 1.777 6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.499 1.956 6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.930 3.360 8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.656 3.274 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.964 1.697 10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.559 0.880 8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.885 0.964 8.912 1.00 0.00 H new ATOM 536 N ASN A 65 -6.228 5.564 6.459 1.00 0.00 N ATOM 537 CA ASN A 65 -5.094 6.448 6.773 1.00 0.00 C ATOM 538 C ASN A 65 -4.004 6.573 5.662 1.00 0.00 C ATOM 539 O ASN A 65 -3.533 7.679 5.378 1.00 0.00 O ATOM 540 CB ASN A 65 -4.509 6.012 8.148 1.00 0.00 C ATOM 541 CG ASN A 65 -3.507 6.990 8.797 1.00 0.00 C ATOM 542 OD1 ASN A 65 -3.781 8.179 8.963 1.00 0.00 O ATOM 543 ND2 ASN A 65 -2.339 6.510 9.195 1.00 0.00 N ATOM 0 H ASN A 65 -6.435 4.912 7.215 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.480 7.466 6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.337 5.858 8.840 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.016 5.048 8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.660 7.126 9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.118 5.524 9.055 1.00 0.00 H new ATOM 544 N GLY A 66 -3.660 5.431 5.041 1.00 0.00 N ATOM 545 CA GLY A 66 -2.822 5.399 3.823 1.00 0.00 C ATOM 546 C GLY A 66 -1.917 4.164 3.804 1.00 0.00 C ATOM 547 O GLY A 66 -0.698 4.304 3.923 1.00 0.00 O ATOM 0 H GLY A 66 -3.951 4.509 5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.460 5.399 2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.212 6.301 3.775 1.00 0.00 H new ATOM 548 N THR A 67 -2.517 2.962 3.673 1.00 0.00 N ATOM 549 CA THR A 67 -1.764 1.683 3.729 1.00 0.00 C ATOM 550 C THR A 67 -2.482 0.553 2.919 1.00 0.00 C ATOM 551 O THR A 67 -3.654 0.650 2.549 1.00 0.00 O ATOM 552 CB THR A 67 -1.390 1.364 5.226 1.00 0.00 C ATOM 553 OG1 THR A 67 0.025 1.372 5.353 1.00 0.00 O ATOM 554 CG2 THR A 67 -1.905 0.050 5.825 1.00 0.00 C ATOM 0 H THR A 67 -3.520 2.847 3.528 1.00 0.00 H new ATOM 0 HA THR A 67 -0.808 1.766 3.211 1.00 0.00 H new ATOM 0 HB THR A 67 -1.899 2.145 5.791 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.361 0.452 5.326 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.570 -0.034 6.859 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.994 0.038 5.794 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.517 -0.790 5.248 1.00 0.00 H new ATOM 555 N LEU A 68 -1.759 -0.545 2.685 1.00 0.00 N ATOM 556 CA LEU A 68 -2.266 -1.768 2.004 1.00 0.00 C ATOM 557 C LEU A 68 -2.088 -2.999 2.938 1.00 0.00 C ATOM 558 O LEU A 68 -1.218 -3.004 3.811 1.00 0.00 O ATOM 559 CB LEU A 68 -1.434 -1.887 0.697 1.00 0.00 C ATOM 560 CG LEU A 68 -2.062 -2.577 -0.536 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.579 -1.944 -1.854 1.00 0.00 C ATOM 562 CD2 LEU A 68 -1.800 -4.065 -0.633 1.00 0.00 C ATOM 0 H LEU A 68 -0.781 -0.623 2.965 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.330 -1.718 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.146 -0.879 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.516 -2.422 0.940 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.132 -2.427 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.043 -2.457 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.856 -0.890 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.495 -2.036 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.279 -4.461 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.726 -4.243 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.206 -4.564 0.247 1.00 0.00 H new ATOM 563 N LYS A 69 -2.904 -4.043 2.730 1.00 0.00 N ATOM 564 CA LYS A 69 -2.735 -5.362 3.391 1.00 0.00 C ATOM 565 C LYS A 69 -3.013 -6.483 2.348 1.00 0.00 C ATOM 566 O LYS A 69 -4.173 -6.804 2.077 1.00 0.00 O ATOM 567 CB LYS A 69 -3.524 -5.508 4.729 1.00 0.00 C ATOM 568 CG LYS A 69 -5.059 -5.282 4.717 1.00 0.00 C ATOM 569 CD LYS A 69 -5.779 -5.567 6.051 1.00 0.00 C ATOM 570 CE LYS A 69 -5.539 -4.546 7.183 1.00 0.00 C ATOM 571 NZ LYS A 69 -6.182 -3.243 6.930 1.00 0.00 N ATOM 0 H LYS A 69 -3.704 -4.004 2.099 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.702 -5.458 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.341 -6.511 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.092 -4.809 5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.255 -4.249 4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.497 -5.915 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.850 -5.620 5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.470 -6.551 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.917 -4.955 8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.467 -4.397 7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.986 -2.599 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.805 -2.834 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.209 -3.375 6.837 1.00 0.00 H new ATOM 572 N ILE A 70 -1.951 -7.089 1.768 1.00 0.00 N ATOM 573 CA ILE A 70 -2.094 -8.258 0.845 1.00 0.00 C ATOM 574 C ILE A 70 -2.036 -9.526 1.754 1.00 0.00 C ATOM 575 O ILE A 70 -0.934 -9.994 2.049 1.00 0.00 O ATOM 576 CB ILE A 70 -1.029 -8.362 -0.324 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.555 -7.064 -1.018 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.491 -9.382 -1.385 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.802 -7.168 -1.750 1.00 0.00 C ATOM 0 H ILE A 70 -0.986 -6.795 1.917 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.034 -8.145 0.306 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.137 -8.689 0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.315 -6.757 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.486 -6.275 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.748 -9.441 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.606 -10.362 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.446 -9.065 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.046 -6.207 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.580 -7.441 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.739 -7.930 -2.527 1.00 0.00 H new ATOM 580 N LYS A 71 -3.183 -10.092 2.194 1.00 0.00 N ATOM 581 CA LYS A 71 -3.173 -11.324 3.024 1.00 0.00 C ATOM 582 C LYS A 71 -3.086 -12.595 2.121 1.00 0.00 C ATOM 583 O LYS A 71 -3.519 -12.623 0.965 1.00 0.00 O ATOM 584 CB LYS A 71 -4.405 -11.265 3.976 1.00 0.00 C ATOM 585 CG LYS A 71 -4.434 -12.308 5.112 1.00 0.00 C ATOM 586 CD LYS A 71 -5.685 -12.188 6.006 1.00 0.00 C ATOM 587 CE LYS A 71 -5.723 -13.274 7.097 1.00 0.00 C ATOM 588 NZ LYS A 71 -6.969 -13.211 7.882 1.00 0.00 N ATOM 0 H LYS A 71 -4.113 -9.725 1.994 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.285 -11.388 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.447 -10.271 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.308 -11.385 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.397 -13.308 4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.542 -12.192 5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.703 -11.204 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.580 -12.263 5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.632 -14.257 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.867 -13.153 7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.960 -13.956 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.043 -12.281 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.784 -13.351 7.251 1.00 0.00 H new ATOM 589 N HIS A 72 -2.531 -13.674 2.701 1.00 0.00 N ATOM 590 CA HIS A 72 -2.763 -15.077 2.264 1.00 0.00 C ATOM 591 C HIS A 72 -1.727 -15.589 1.214 1.00 0.00 C ATOM 592 O HIS A 72 -1.544 -15.034 0.136 1.00 0.00 O ATOM 593 CB HIS A 72 -4.240 -15.427 1.887 1.00 0.00 C ATOM 594 CG HIS A 72 -4.603 -16.911 1.849 1.00 0.00 C ATOM 595 ND1 HIS A 72 -5.082 -17.574 0.729 1.00 0.00 N ATOM 596 CD2 HIS A 72 -4.581 -17.787 2.951 1.00 0.00 C ATOM 597 CE1 HIS A 72 -5.323 -18.812 1.268 1.00 0.00 C ATOM 598 NE2 HIS A 72 -5.040 -19.041 2.588 1.00 0.00 N ATOM 0 H HIS A 72 -1.899 -13.603 3.498 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.580 -15.651 3.173 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.900 -14.933 2.600 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.452 -14.999 0.907 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.251 -17.517 3.943 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.733 -19.601 0.655 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.139 -19.891 3.143 1.00 0.00 H new ATOM 599 N LEU A 73 -1.105 -16.700 1.612 1.00 0.00 N ATOM 600 CA LEU A 73 -0.491 -17.782 0.790 1.00 0.00 C ATOM 601 C LEU A 73 -0.890 -17.894 -0.702 1.00 0.00 C ATOM 602 O LEU A 73 -1.960 -18.402 -1.039 1.00 0.00 O ATOM 603 CB LEU A 73 -0.921 -19.122 1.495 1.00 0.00 C ATOM 604 CG LEU A 73 -0.218 -19.603 2.796 1.00 0.00 C ATOM 605 CD1 LEU A 73 1.014 -20.469 2.477 1.00 0.00 C ATOM 606 CD2 LEU A 73 0.064 -18.496 3.826 1.00 0.00 C ATOM 0 H LEU A 73 -1.001 -16.898 2.607 1.00 0.00 H new ATOM 0 HA LEU A 73 0.575 -17.558 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.984 -19.038 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.812 -19.919 0.760 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.942 -20.238 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.484 -20.790 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.705 -21.344 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.726 -19.887 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.555 -18.927 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.712 -17.741 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.875 -18.034 4.130 1.00 0.00 H new ATOM 607 N LYS A 74 -0.077 -17.285 -1.564 1.00 0.00 N ATOM 608 CA LYS A 74 0.521 -17.928 -2.782 1.00 0.00 C ATOM 609 C LYS A 74 1.334 -16.831 -3.575 1.00 0.00 C ATOM 610 O LYS A 74 1.262 -15.627 -3.296 1.00 0.00 O ATOM 611 CB LYS A 74 -0.346 -18.803 -3.755 1.00 0.00 C ATOM 612 CG LYS A 74 -1.071 -20.078 -3.257 1.00 0.00 C ATOM 613 CD LYS A 74 -1.276 -21.169 -4.330 1.00 0.00 C ATOM 614 CE LYS A 74 -2.030 -22.401 -3.789 1.00 0.00 C ATOM 615 NZ LYS A 74 -2.262 -23.409 -4.841 1.00 0.00 N ATOM 0 H LYS A 74 0.204 -16.311 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 74 1.131 -18.720 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.108 -18.148 -4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.305 -19.107 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.501 -20.504 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.045 -19.793 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.830 -20.748 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.305 -21.482 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.458 -22.849 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.986 -22.087 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.771 -24.221 -4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.830 -22.989 -5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.349 -23.728 -5.223 1.00 0.00 H new ATOM 616 N THR A 75 2.016 -17.231 -4.673 1.00 0.00 N ATOM 617 CA THR A 75 2.431 -16.346 -5.787 1.00 0.00 C ATOM 618 C THR A 75 1.283 -15.606 -6.534 1.00 0.00 C ATOM 619 O THR A 75 1.358 -14.398 -6.757 1.00 0.00 O ATOM 620 CB THR A 75 3.396 -17.079 -6.775 1.00 0.00 C ATOM 621 OG1 THR A 75 4.379 -17.844 -6.082 1.00 0.00 O ATOM 622 CG2 THR A 75 4.165 -16.143 -7.724 1.00 0.00 C ATOM 0 H THR A 75 2.300 -18.201 -4.813 1.00 0.00 H new ATOM 0 HA THR A 75 2.977 -15.540 -5.296 1.00 0.00 H new ATOM 0 HB THR A 75 2.728 -17.710 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.963 -18.290 -6.730 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.810 -16.734 -8.374 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.457 -15.579 -8.331 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.773 -15.452 -7.140 1.00 0.00 H new ATOM 623 N ASP A 76 0.227 -16.349 -6.890 1.00 0.00 N ATOM 624 CA ASP A 76 -1.053 -15.776 -7.413 1.00 0.00 C ATOM 625 C ASP A 76 -1.865 -14.826 -6.464 1.00 0.00 C ATOM 626 O ASP A 76 -2.653 -14.017 -6.966 1.00 0.00 O ATOM 627 CB ASP A 76 -1.943 -16.900 -8.012 1.00 0.00 C ATOM 628 CG ASP A 76 -2.427 -18.015 -7.064 1.00 0.00 C ATOM 629 OD1 ASP A 76 -3.231 -17.734 -6.151 1.00 0.00 O ATOM 630 OD2 ASP A 76 -2.002 -19.177 -7.241 1.00 0.00 O ATOM 0 H ASP A 76 0.221 -17.367 -6.829 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.730 -15.088 -8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.822 -16.431 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.389 -17.369 -8.825 1.00 0.00 H new ATOM 631 N ASP A 77 -1.650 -14.887 -5.135 1.00 0.00 N ATOM 632 CA ASP A 77 -2.160 -13.873 -4.166 1.00 0.00 C ATOM 633 C ASP A 77 -1.480 -12.459 -4.234 1.00 0.00 C ATOM 634 O ASP A 77 -2.046 -11.527 -3.660 1.00 0.00 O ATOM 635 CB ASP A 77 -2.107 -14.512 -2.739 1.00 0.00 C ATOM 636 CG ASP A 77 -3.254 -15.503 -2.461 1.00 0.00 C ATOM 637 OD1 ASP A 77 -3.219 -16.635 -2.989 1.00 0.00 O ATOM 638 OD2 ASP A 77 -4.188 -15.146 -1.710 1.00 0.00 O ATOM 0 H ASP A 77 -1.119 -15.638 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.187 -13.635 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.155 -15.028 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.136 -13.717 -1.993 1.00 0.00 H new ATOM 639 N GLN A 78 -0.326 -12.274 -4.927 1.00 0.00 N ATOM 640 CA GLN A 78 0.414 -10.971 -4.977 1.00 0.00 C ATOM 641 C GLN A 78 0.982 -10.618 -6.391 1.00 0.00 C ATOM 642 O GLN A 78 0.948 -11.434 -7.321 1.00 0.00 O ATOM 643 CB GLN A 78 1.463 -10.938 -3.830 1.00 0.00 C ATOM 644 CG GLN A 78 2.480 -12.109 -3.743 1.00 0.00 C ATOM 645 CD GLN A 78 3.718 -12.009 -4.650 1.00 0.00 C ATOM 646 OE1 GLN A 78 4.723 -11.420 -4.268 1.00 0.00 O ATOM 647 NE2 GLN A 78 3.710 -12.613 -5.825 1.00 0.00 N ATOM 0 H GLN A 78 0.121 -13.015 -5.466 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.295 -10.161 -4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.028 -10.010 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.923 -10.892 -2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.819 -12.191 -2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.956 -13.035 -3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.873 -13.103 -6.141 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.541 -12.590 -6.416 1.00 0.00 H new ATOM 648 N ASP A 79 1.463 -9.363 -6.556 1.00 0.00 N ATOM 649 CA ASP A 79 1.744 -8.760 -7.898 1.00 0.00 C ATOM 650 C ASP A 79 2.833 -7.632 -7.867 1.00 0.00 C ATOM 651 O ASP A 79 3.333 -7.268 -6.807 1.00 0.00 O ATOM 652 CB ASP A 79 0.405 -8.178 -8.457 1.00 0.00 C ATOM 653 CG ASP A 79 0.117 -8.607 -9.904 1.00 0.00 C ATOM 654 OD1 ASP A 79 0.663 -7.994 -10.846 1.00 0.00 O ATOM 655 OD2 ASP A 79 -0.655 -9.573 -10.098 1.00 0.00 O ATOM 0 H ASP A 79 1.668 -8.738 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 79 2.144 -9.548 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.418 -8.499 -7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.440 -7.090 -8.408 1.00 0.00 H new ATOM 656 N ILE A 80 3.128 -7.011 -9.033 1.00 0.00 N ATOM 657 CA ILE A 80 3.918 -5.742 -9.125 1.00 0.00 C ATOM 658 C ILE A 80 2.957 -4.518 -8.895 1.00 0.00 C ATOM 659 O ILE A 80 1.839 -4.477 -9.415 1.00 0.00 O ATOM 660 CB ILE A 80 4.727 -5.650 -10.476 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.710 -6.845 -10.678 1.00 0.00 C ATOM 662 CG2 ILE A 80 5.521 -4.322 -10.586 1.00 0.00 C ATOM 663 CD1 ILE A 80 6.351 -6.979 -12.071 1.00 0.00 C ATOM 0 H ILE A 80 2.829 -7.368 -9.941 1.00 0.00 H new ATOM 0 HA ILE A 80 4.674 -5.729 -8.340 1.00 0.00 H new ATOM 0 HB ILE A 80 3.973 -5.688 -11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.509 -6.758 -9.942 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.174 -7.768 -10.459 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.064 -4.300 -11.531 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.830 -3.480 -10.545 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.228 -4.251 -9.760 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.012 -7.845 -12.085 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.570 -7.107 -12.820 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.925 -6.080 -12.295 1.00 0.00 H new ATOM 664 N TYR A 81 3.442 -3.526 -8.121 1.00 0.00 N ATOM 665 CA TYR A 81 2.655 -2.328 -7.703 1.00 0.00 C ATOM 666 C TYR A 81 3.299 -0.984 -8.193 1.00 0.00 C ATOM 667 O TYR A 81 4.450 -0.919 -8.627 1.00 0.00 O ATOM 668 CB TYR A 81 2.503 -2.338 -6.143 1.00 0.00 C ATOM 669 CG TYR A 81 1.526 -3.354 -5.526 1.00 0.00 C ATOM 670 CD1 TYR A 81 1.960 -4.677 -5.404 1.00 0.00 C ATOM 671 CD2 TYR A 81 0.256 -3.012 -5.031 1.00 0.00 C ATOM 672 CE1 TYR A 81 1.111 -5.669 -4.941 1.00 0.00 C ATOM 673 CE2 TYR A 81 -0.565 -3.999 -4.506 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.165 -5.332 -4.512 1.00 0.00 C ATOM 675 OH TYR A 81 -1.019 -6.316 -4.102 1.00 0.00 O ATOM 0 H TYR A 81 4.396 -3.525 -7.761 1.00 0.00 H new ATOM 0 HA TYR A 81 1.673 -2.384 -8.174 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.488 -2.515 -5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.192 -1.341 -5.830 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.974 -4.930 -5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.079 -1.986 -5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.440 -6.697 -4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.524 -3.730 -4.088 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.914 -6.143 -4.462 1.00 0.00 H new ATOM 676 N LYS A 82 2.528 0.119 -8.096 1.00 0.00 N ATOM 677 CA LYS A 82 3.054 1.506 -8.257 1.00 0.00 C ATOM 678 C LYS A 82 2.075 2.458 -7.512 1.00 0.00 C ATOM 679 O LYS A 82 0.867 2.454 -7.776 1.00 0.00 O ATOM 680 CB LYS A 82 3.152 1.906 -9.759 1.00 0.00 C ATOM 681 CG LYS A 82 3.858 3.257 -10.027 1.00 0.00 C ATOM 682 CD LYS A 82 3.481 3.965 -11.345 1.00 0.00 C ATOM 683 CE LYS A 82 3.794 3.224 -12.659 1.00 0.00 C ATOM 684 NZ LYS A 82 5.238 3.042 -12.902 1.00 0.00 N ATOM 0 H LYS A 82 1.527 0.082 -7.905 1.00 0.00 H new ATOM 0 HA LYS A 82 4.060 1.573 -7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.685 1.121 -10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.146 1.949 -10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.637 3.931 -9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.935 3.089 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.411 4.174 -11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.993 4.927 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.311 2.247 -12.640 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.360 3.778 -13.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.378 2.538 -13.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.702 3.972 -12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.654 2.488 -12.126 1.00 0.00 H new ATOM 685 N VAL A 83 2.604 3.316 -6.626 1.00 0.00 N ATOM 686 CA VAL A 83 1.793 4.301 -5.852 1.00 0.00 C ATOM 687 C VAL A 83 1.718 5.702 -6.539 1.00 0.00 C ATOM 688 O VAL A 83 2.689 6.165 -7.140 1.00 0.00 O ATOM 689 CB VAL A 83 2.329 4.353 -4.384 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.686 5.066 -4.190 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.290 4.875 -3.373 1.00 0.00 C ATOM 0 H VAL A 83 3.602 3.356 -6.418 1.00 0.00 H new ATOM 0 HA VAL A 83 0.756 3.967 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 83 2.519 3.302 -4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.961 5.043 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.451 4.557 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.604 6.101 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.727 4.885 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.990 5.886 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.416 4.223 -3.380 1.00 0.00 H new ATOM 692 N SER A 84 0.578 6.398 -6.345 1.00 0.00 N ATOM 693 CA SER A 84 0.486 7.875 -6.521 1.00 0.00 C ATOM 694 C SER A 84 -0.364 8.493 -5.368 1.00 0.00 C ATOM 695 O SER A 84 -1.327 7.891 -4.882 1.00 0.00 O ATOM 696 CB SER A 84 -0.110 8.284 -7.886 1.00 0.00 C ATOM 697 OG SER A 84 0.558 7.673 -8.984 1.00 0.00 O ATOM 0 H SER A 84 -0.301 5.963 -6.064 1.00 0.00 H new ATOM 0 HA SER A 84 1.505 8.262 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.166 8.013 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.056 9.368 -7.991 1.00 0.00 H new ATOM 0 HG SER A 84 1.073 8.350 -9.471 1.00 0.00 H new ATOM 698 N ILE A 85 0.007 9.717 -4.942 1.00 0.00 N ATOM 699 CA ILE A 85 -0.655 10.457 -3.825 1.00 0.00 C ATOM 700 C ILE A 85 -1.340 11.721 -4.429 1.00 0.00 C ATOM 701 O ILE A 85 -0.804 12.385 -5.320 1.00 0.00 O ATOM 702 CB ILE A 85 0.377 10.724 -2.659 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.562 9.471 -1.741 1.00 0.00 C ATOM 704 CG2 ILE A 85 0.013 11.927 -1.755 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.653 8.491 -2.178 1.00 0.00 C ATOM 0 H ILE A 85 0.781 10.233 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.444 9.875 -3.349 1.00 0.00 H new ATOM 0 HB ILE A 85 1.305 10.957 -3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.788 9.812 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.386 8.935 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.771 12.042 -0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.031 12.834 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.957 11.752 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.698 7.660 -1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.424 8.112 -3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.615 9.003 -2.197 1.00 0.00 H new ATOM 706 N TYR A 86 -2.534 12.048 -3.898 1.00 0.00 N ATOM 707 CA TYR A 86 -3.303 13.269 -4.266 1.00 0.00 C ATOM 708 C TYR A 86 -3.929 13.815 -2.947 1.00 0.00 C ATOM 709 O TYR A 86 -4.333 13.069 -2.049 1.00 0.00 O ATOM 710 CB TYR A 86 -4.391 13.033 -5.360 1.00 0.00 C ATOM 711 CG TYR A 86 -4.025 12.258 -6.650 1.00 0.00 C ATOM 712 CD1 TYR A 86 -3.828 10.872 -6.610 1.00 0.00 C ATOM 713 CD2 TYR A 86 -3.911 12.925 -7.875 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.485 10.171 -7.761 1.00 0.00 C ATOM 715 CE2 TYR A 86 -3.586 12.218 -9.033 1.00 0.00 C ATOM 716 CZ TYR A 86 -3.360 10.845 -8.972 1.00 0.00 C ATOM 717 OH TYR A 86 -3.010 10.151 -10.101 1.00 0.00 O ATOM 0 H TYR A 86 -3.001 11.474 -3.197 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.626 13.991 -4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.220 12.506 -4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.766 14.011 -5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.944 10.342 -5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.075 13.991 -7.924 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.316 9.105 -7.715 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.510 12.736 -9.978 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.966 10.766 -10.863 1.00 0.00 H new ATOM 718 N ASP A 87 -4.031 15.146 -2.834 1.00 0.00 N ATOM 719 CA ASP A 87 -4.596 15.802 -1.616 1.00 0.00 C ATOM 720 C ASP A 87 -6.157 15.675 -1.514 1.00 0.00 C ATOM 721 O ASP A 87 -6.814 14.920 -2.239 1.00 0.00 O ATOM 722 CB ASP A 87 -4.056 17.271 -1.522 1.00 0.00 C ATOM 723 CG ASP A 87 -3.450 17.641 -0.161 1.00 0.00 C ATOM 724 OD1 ASP A 87 -4.211 17.790 0.818 1.00 0.00 O ATOM 725 OD2 ASP A 87 -2.212 17.779 -0.069 1.00 0.00 O ATOM 0 H ASP A 87 -3.735 15.799 -3.560 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.247 15.268 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.300 17.417 -2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.872 17.959 -1.741 1.00 0.00 H new ATOM 726 N THR A 88 -6.724 16.452 -0.582 1.00 0.00 N ATOM 727 CA THR A 88 -8.198 16.741 -0.525 1.00 0.00 C ATOM 728 C THR A 88 -8.731 17.690 -1.648 1.00 0.00 C ATOM 729 O THR A 88 -9.865 17.486 -2.088 1.00 0.00 O ATOM 730 CB THR A 88 -8.701 17.087 0.919 1.00 0.00 C ATOM 731 OG1 THR A 88 -10.031 17.592 0.911 1.00 0.00 O ATOM 732 CG2 THR A 88 -7.833 18.016 1.779 1.00 0.00 C ATOM 0 H THR A 88 -6.192 16.906 0.160 1.00 0.00 H new ATOM 0 HA THR A 88 -8.674 15.792 -0.772 1.00 0.00 H new ATOM 0 HB THR A 88 -8.637 16.112 1.402 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.310 17.795 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.308 18.163 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.850 17.567 1.921 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.724 18.978 1.279 1.00 0.00 H new ATOM 733 N LYS A 89 -7.934 18.654 -2.162 1.00 0.00 N ATOM 734 CA LYS A 89 -8.205 19.285 -3.484 1.00 0.00 C ATOM 735 C LYS A 89 -8.022 18.319 -4.706 1.00 0.00 C ATOM 736 O LYS A 89 -8.828 18.414 -5.636 1.00 0.00 O ATOM 737 CB LYS A 89 -7.385 20.601 -3.604 1.00 0.00 C ATOM 738 CG LYS A 89 -7.798 21.514 -4.781 1.00 0.00 C ATOM 739 CD LYS A 89 -7.078 22.875 -4.783 1.00 0.00 C ATOM 740 CE LYS A 89 -7.462 23.744 -5.995 1.00 0.00 C ATOM 741 NZ LYS A 89 -6.769 25.043 -5.972 1.00 0.00 N ATOM 0 H LYS A 89 -7.104 19.013 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.266 19.533 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.485 21.162 -2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.330 20.347 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.590 21.000 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.874 21.681 -4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.319 23.411 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.000 22.712 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.215 23.215 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.540 23.906 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.051 25.602 -6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.025 25.558 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.741 24.888 -5.992 1.00 0.00 H new ATOM 742 N GLY A 90 -7.026 17.400 -4.723 1.00 0.00 N ATOM 743 CA GLY A 90 -6.897 16.384 -5.792 1.00 0.00 C ATOM 744 C GLY A 90 -5.940 16.787 -6.927 1.00 0.00 C ATOM 745 O GLY A 90 -6.370 16.943 -8.071 1.00 0.00 O ATOM 0 H GLY A 90 -6.301 17.343 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.548 15.450 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -7.883 16.189 -6.214 1.00 0.00 H new ATOM 746 N LYS A 91 -4.646 16.922 -6.593 1.00 0.00 N ATOM 747 CA LYS A 91 -3.560 17.167 -7.577 1.00 0.00 C ATOM 748 C LYS A 91 -2.359 16.266 -7.185 1.00 0.00 C ATOM 749 O LYS A 91 -2.030 16.131 -6.000 1.00 0.00 O ATOM 750 CB LYS A 91 -3.115 18.656 -7.634 1.00 0.00 C ATOM 751 CG LYS A 91 -4.183 19.662 -8.125 1.00 0.00 C ATOM 752 CD LYS A 91 -3.645 21.056 -8.514 1.00 0.00 C ATOM 753 CE LYS A 91 -2.885 21.856 -7.433 1.00 0.00 C ATOM 754 NZ LYS A 91 -3.726 22.243 -6.286 1.00 0.00 N ATOM 0 H LYS A 91 -4.315 16.865 -5.630 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.933 16.927 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.791 18.957 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.246 18.731 -8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.693 19.233 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.931 19.785 -7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.981 20.933 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.488 21.660 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.047 21.259 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.466 22.755 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.154 22.776 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.512 22.838 -6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.106 21.389 -5.830 1.00 0.00 H new ATOM 755 N ASN A 92 -1.691 15.664 -8.189 1.00 0.00 N ATOM 756 CA ASN A 92 -0.618 14.657 -7.963 1.00 0.00 C ATOM 757 C ASN A 92 0.622 15.255 -7.223 1.00 0.00 C ATOM 758 O ASN A 92 1.245 16.210 -7.695 1.00 0.00 O ATOM 759 CB ASN A 92 -0.268 13.994 -9.324 1.00 0.00 C ATOM 760 CG ASN A 92 0.868 12.949 -9.310 1.00 0.00 C ATOM 761 OD1 ASN A 92 1.980 13.201 -9.776 1.00 0.00 O ATOM 762 ND2 ASN A 92 0.624 11.775 -8.757 1.00 0.00 N ATOM 0 H ASN A 92 -1.873 15.855 -9.174 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.982 13.884 -7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.167 13.515 -9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.002 14.782 -10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.359 11.069 -8.713 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.299 11.574 -8.373 1.00 0.00 H new ATOM 763 N VAL A 93 0.930 14.664 -6.055 1.00 0.00 N ATOM 764 CA VAL A 93 1.934 15.192 -5.084 1.00 0.00 C ATOM 765 C VAL A 93 3.259 14.375 -5.171 1.00 0.00 C ATOM 766 O VAL A 93 4.305 14.914 -5.546 1.00 0.00 O ATOM 767 CB VAL A 93 1.384 15.379 -3.612 1.00 0.00 C ATOM 768 CG1 VAL A 93 2.100 16.534 -2.881 1.00 0.00 C ATOM 769 CG2 VAL A 93 -0.135 15.614 -3.448 1.00 0.00 C ATOM 0 H VAL A 93 0.490 13.797 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 93 2.163 16.214 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 93 1.597 14.403 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.696 16.633 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.168 16.323 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.942 17.464 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.374 15.725 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.423 16.519 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.681 14.763 -3.856 1.00 0.00 H new ATOM 770 N LEU A 94 3.178 13.085 -4.823 1.00 0.00 N ATOM 771 CA LEU A 94 4.318 12.121 -4.846 1.00 0.00 C ATOM 772 C LEU A 94 3.975 10.872 -5.721 1.00 0.00 C ATOM 773 O LEU A 94 2.809 10.492 -5.861 1.00 0.00 O ATOM 774 CB LEU A 94 4.717 11.731 -3.381 1.00 0.00 C ATOM 775 CG LEU A 94 6.237 11.804 -3.068 1.00 0.00 C ATOM 776 CD1 LEU A 94 6.723 13.264 -2.924 1.00 0.00 C ATOM 777 CD2 LEU A 94 6.601 11.024 -1.790 1.00 0.00 C ATOM 0 H LEU A 94 2.306 12.660 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 94 5.182 12.598 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.188 12.388 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.370 10.716 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 94 6.741 11.343 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.791 13.272 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.539 13.802 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.183 13.749 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.673 11.102 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.059 11.442 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.329 9.976 -1.914 1.00 0.00 H new ATOM 778 N GLU A 95 5.010 10.226 -6.301 1.00 0.00 N ATOM 779 CA GLU A 95 4.846 8.998 -7.141 1.00 0.00 C ATOM 780 C GLU A 95 6.122 8.111 -7.013 1.00 0.00 C ATOM 781 O GLU A 95 7.251 8.602 -7.098 1.00 0.00 O ATOM 782 CB GLU A 95 4.522 9.387 -8.615 1.00 0.00 C ATOM 783 CG GLU A 95 4.085 8.209 -9.515 1.00 0.00 C ATOM 784 CD GLU A 95 3.679 8.648 -10.922 1.00 0.00 C ATOM 785 OE1 GLU A 95 2.507 9.037 -11.120 1.00 0.00 O ATOM 786 OE2 GLU A 95 4.528 8.601 -11.839 1.00 0.00 O ATOM 0 H GLU A 95 5.979 10.530 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 95 4.000 8.409 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.731 10.137 -8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.403 9.854 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.902 7.491 -9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.247 7.693 -9.046 1.00 0.00 H new ATOM 787 N LYS A 96 5.921 6.789 -6.806 1.00 0.00 N ATOM 788 CA LYS A 96 7.021 5.814 -6.539 1.00 0.00 C ATOM 789 C LYS A 96 6.595 4.385 -7.028 1.00 0.00 C ATOM 790 O LYS A 96 5.415 4.084 -7.218 1.00 0.00 O ATOM 791 CB LYS A 96 7.415 5.905 -5.031 1.00 0.00 C ATOM 792 CG LYS A 96 8.692 5.145 -4.601 1.00 0.00 C ATOM 793 CD LYS A 96 9.080 5.300 -3.113 1.00 0.00 C ATOM 794 CE LYS A 96 9.869 6.570 -2.733 1.00 0.00 C ATOM 795 NZ LYS A 96 9.052 7.794 -2.665 1.00 0.00 N ATOM 0 H LYS A 96 4.995 6.362 -6.818 1.00 0.00 H new ATOM 0 HA LYS A 96 7.921 6.052 -7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.542 6.957 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.580 5.531 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.554 4.085 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.524 5.489 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.167 5.276 -2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.672 4.432 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.346 6.411 -1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.666 6.720 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.530 8.498 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.926 8.181 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.122 7.568 -2.258 1.00 0.00 H new ATOM 796 N ILE A 97 7.593 3.512 -7.265 1.00 0.00 N ATOM 797 CA ILE A 97 7.423 2.186 -7.936 1.00 0.00 C ATOM 798 C ILE A 97 7.799 1.065 -6.897 1.00 0.00 C ATOM 799 O ILE A 97 8.633 1.240 -6.002 1.00 0.00 O ATOM 800 CB ILE A 97 8.222 2.107 -9.296 1.00 0.00 C ATOM 801 CG1 ILE A 97 8.089 3.377 -10.202 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.843 0.828 -10.091 1.00 0.00 C ATOM 803 CD1 ILE A 97 8.920 3.412 -11.493 1.00 0.00 C ATOM 0 H ILE A 97 8.559 3.701 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 97 6.386 2.036 -8.235 1.00 0.00 H new ATOM 0 HB ILE A 97 9.272 2.060 -9.007 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.039 3.489 -10.474 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.358 4.248 -9.604 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.407 0.798 -11.023 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.079 -0.054 -9.496 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.776 0.841 -10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.731 4.346 -12.022 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.979 3.342 -11.246 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.640 2.572 -12.129 1.00 0.00 H new ATOM 804 N PHE A 98 7.100 -0.077 -7.000 1.00 0.00 N ATOM 805 CA PHE A 98 7.105 -1.185 -5.991 1.00 0.00 C ATOM 806 C PHE A 98 6.927 -2.534 -6.757 1.00 0.00 C ATOM 807 O PHE A 98 6.380 -2.561 -7.863 1.00 0.00 O ATOM 808 CB PHE A 98 5.930 -0.936 -4.995 1.00 0.00 C ATOM 809 CG PHE A 98 6.210 0.150 -3.938 1.00 0.00 C ATOM 810 CD1 PHE A 98 5.980 1.503 -4.216 1.00 0.00 C ATOM 811 CD2 PHE A 98 6.794 -0.205 -2.719 1.00 0.00 C ATOM 812 CE1 PHE A 98 6.408 2.485 -3.332 1.00 0.00 C ATOM 813 CE2 PHE A 98 7.208 0.782 -1.830 1.00 0.00 C ATOM 814 CZ PHE A 98 7.020 2.127 -2.137 1.00 0.00 C ATOM 0 H PHE A 98 6.498 -0.274 -7.799 1.00 0.00 H new ATOM 0 HA PHE A 98 8.038 -1.223 -5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.043 -0.654 -5.562 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.698 -1.871 -4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.467 1.785 -5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.924 -1.247 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.265 3.528 -3.574 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.677 0.504 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.349 2.890 -1.448 1.00 0.00 H new ATOM 815 N ASP A 99 7.417 -3.676 -6.221 1.00 0.00 N ATOM 816 CA ASP A 99 7.447 -4.948 -7.004 1.00 0.00 C ATOM 817 C ASP A 99 7.284 -6.146 -6.041 1.00 0.00 C ATOM 818 O ASP A 99 8.304 -6.593 -5.509 1.00 0.00 O ATOM 819 CB ASP A 99 8.755 -5.114 -7.847 1.00 0.00 C ATOM 820 CG ASP A 99 9.045 -4.088 -8.953 1.00 0.00 C ATOM 821 OD1 ASP A 99 9.564 -2.993 -8.639 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.780 -4.384 -10.138 1.00 0.00 O ATOM 0 H ASP A 99 7.790 -3.751 -5.274 1.00 0.00 H new ATOM 0 HA ASP A 99 6.620 -4.913 -7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.598 -5.106 -7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.730 -6.101 -8.308 1.00 0.00 H new ATOM 823 N LEU A 100 6.062 -6.711 -5.819 1.00 0.00 N ATOM 824 CA LEU A 100 5.939 -7.897 -4.920 1.00 0.00 C ATOM 825 C LEU A 100 6.291 -9.202 -5.694 1.00 0.00 C ATOM 826 O LEU A 100 5.644 -9.554 -6.686 1.00 0.00 O ATOM 827 CB LEU A 100 4.591 -7.978 -4.131 1.00 0.00 C ATOM 828 CG LEU A 100 4.706 -8.012 -2.579 1.00 0.00 C ATOM 829 CD1 LEU A 100 5.674 -9.090 -2.026 1.00 0.00 C ATOM 830 CD2 LEU A 100 5.031 -6.609 -2.032 1.00 0.00 C ATOM 0 H LEU A 100 5.187 -6.384 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 100 6.677 -7.770 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.978 -7.121 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.057 -8.871 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 100 3.726 -8.318 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.691 -9.040 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.336 -10.078 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.677 -8.911 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.108 -6.651 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.977 -6.266 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.238 -5.916 -2.313 1.00 0.00 H new ATOM 831 N LYS A 101 7.339 -9.886 -5.205 1.00 0.00 N ATOM 832 CA LYS A 101 7.930 -11.098 -5.830 1.00 0.00 C ATOM 833 C LYS A 101 8.018 -12.235 -4.771 1.00 0.00 C ATOM 834 O LYS A 101 8.187 -11.993 -3.571 1.00 0.00 O ATOM 835 CB LYS A 101 9.352 -10.793 -6.372 1.00 0.00 C ATOM 836 CG LYS A 101 9.424 -9.798 -7.553 1.00 0.00 C ATOM 837 CD LYS A 101 10.867 -9.555 -8.037 1.00 0.00 C ATOM 838 CE LYS A 101 11.029 -8.486 -9.137 1.00 0.00 C ATOM 839 NZ LYS A 101 10.431 -8.881 -10.428 1.00 0.00 N ATOM 0 H LYS A 101 7.815 -9.612 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 101 7.295 -11.409 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.955 -10.400 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.810 -11.732 -6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.826 -10.179 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.981 -8.849 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.475 -9.264 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.270 -10.497 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.570 -7.556 -8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.090 -8.283 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.574 -8.121 -11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.885 -9.752 -10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.412 -9.048 -10.302 1.00 0.00 H new ATOM 840 N ILE A 102 7.921 -13.488 -5.249 1.00 0.00 N ATOM 841 CA ILE A 102 7.965 -14.711 -4.387 1.00 0.00 C ATOM 842 C ILE A 102 8.986 -15.732 -4.982 1.00 0.00 C ATOM 843 O ILE A 102 9.298 -15.753 -6.180 1.00 0.00 O ATOM 844 CB ILE A 102 6.494 -15.234 -4.104 1.00 0.00 C ATOM 845 CG1 ILE A 102 5.896 -14.472 -2.885 1.00 0.00 C ATOM 846 CG2 ILE A 102 6.342 -16.761 -3.890 1.00 0.00 C ATOM 847 CD1 ILE A 102 4.445 -14.791 -2.507 1.00 0.00 C ATOM 0 H ILE A 102 7.810 -13.695 -6.242 1.00 0.00 H new ATOM 0 HA ILE A 102 8.352 -14.498 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 102 5.944 -15.028 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.524 -14.675 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.966 -13.403 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.295 -17.000 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 102 6.683 -17.289 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.941 -17.070 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.154 -14.193 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.791 -14.558 -3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.357 -15.849 -2.262 1.00 0.00 H new ATOM 848 N GLN A 103 9.481 -16.615 -4.087 1.00 0.00 N ATOM 849 CA GLN A 103 10.428 -17.712 -4.440 1.00 0.00 C ATOM 850 C GLN A 103 9.822 -18.764 -5.423 1.00 0.00 C ATOM 851 O GLN A 103 8.619 -19.048 -5.399 1.00 0.00 O ATOM 852 CB GLN A 103 10.918 -18.437 -3.154 1.00 0.00 C ATOM 853 CG GLN A 103 11.865 -17.621 -2.243 1.00 0.00 C ATOM 854 CD GLN A 103 12.396 -18.439 -1.053 1.00 0.00 C ATOM 855 OE1 GLN A 103 13.467 -19.043 -1.118 1.00 0.00 O ATOM 856 NE2 GLN A 103 11.667 -18.488 0.051 1.00 0.00 N ATOM 0 H GLN A 103 9.239 -16.593 -3.096 1.00 0.00 H new ATOM 0 HA GLN A 103 11.263 -17.235 -4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.046 -18.731 -2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 103 11.428 -19.354 -3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 103 12.706 -17.258 -2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.336 -16.744 -1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.781 -17.986 0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.992 -19.028 0.853 1.00 0.00 H new ATOM 857 N GLU A 104 10.690 -19.327 -6.282 1.00 0.00 N ATOM 858 CA GLU A 104 10.293 -20.325 -7.311 1.00 0.00 C ATOM 859 C GLU A 104 11.417 -21.389 -7.437 1.00 0.00 C ATOM 860 O GLU A 104 12.315 -21.303 -8.278 1.00 0.00 O ATOM 861 CB GLU A 104 9.838 -19.688 -8.660 1.00 0.00 C ATOM 862 CG GLU A 104 10.519 -18.410 -9.213 1.00 0.00 C ATOM 863 CD GLU A 104 11.988 -18.551 -9.618 1.00 0.00 C ATOM 864 OE1 GLU A 104 12.265 -18.891 -10.788 1.00 0.00 O ATOM 865 OE2 GLU A 104 12.875 -18.326 -8.763 1.00 0.00 O ATOM 0 H GLU A 104 11.686 -19.109 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 104 9.388 -20.835 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.937 -20.458 -9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.775 -19.467 -8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.955 -18.069 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.445 -17.628 -8.458 1.00 0.00 H new ATOM 866 N ARG A 105 11.328 -22.396 -6.554 1.00 0.00 N ATOM 867 CA ARG A 105 12.305 -23.510 -6.469 1.00 0.00 C ATOM 868 C ARG A 105 11.504 -24.827 -6.366 1.00 0.00 C ATOM 869 O ARG A 105 10.933 -25.129 -5.291 1.00 0.00 O ATOM 870 CB ARG A 105 13.284 -23.268 -5.287 1.00 0.00 C ATOM 871 CG ARG A 105 14.472 -24.256 -5.213 1.00 0.00 C ATOM 872 CD ARG A 105 15.428 -24.024 -4.024 1.00 0.00 C ATOM 873 NE ARG A 105 16.237 -22.780 -4.162 1.00 0.00 N ATOM 874 CZ ARG A 105 16.170 -21.714 -3.342 1.00 0.00 C ATOM 875 NH1 ARG A 105 15.395 -21.645 -2.260 1.00 0.00 N ATOM 876 NH2 ARG A 105 16.927 -20.668 -3.625 1.00 0.00 N ATOM 877 OXT ARG A 105 11.443 -25.569 -7.372 1.00 0.00 O ATOM 0 H ARG A 105 10.574 -22.467 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 105 12.935 -23.572 -7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 105 13.677 -22.254 -5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.724 -23.325 -4.353 1.00 0.00 H new ATOM 0 HG2 ARG A 105 14.080 -25.271 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 105 15.042 -24.188 -6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.848 -23.973 -3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 105 16.098 -24.879 -3.932 1.00 0.00 H new ATOM 0 HE ARG A 105 16.894 -22.732 -4.940 1.00 0.00 H new ATOM 0 HH11 ARG A 105 14.801 -22.434 -2.007 1.00 0.00 H new ATOM 0 HH12 ARG A 105 15.396 -20.803 -1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.536 -20.686 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 105 16.902 -19.843 -3.026 1.00 0.00 H new