USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 587 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 100 ZNZN :(H bumps) USER MOD Set 1.1: A 30 CYS SG : rot -95:sc= 0.335 USER MOD Set 1.2: A 70 HIS :FLIP no HE2:sc= -0.593 F(o=-0.99,f=-0.26) USER MOD Set 2.1: A 44 ASN : amide:sc= -0.014 K(o=1.3,f=-3!) USER MOD Set 2.2: A 78 LYS NZ :NH3+ -99:sc= 1.28 (180deg=-0.633) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.362 X(o=0.36,f=0) USER MOD Single : A 28 SER OG : rot -150:sc= 0.00153 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -130:sc= 0.254 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0584 K(o=-0.058,f=-2.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -130:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.875) USER MOD Single : A 59 LYS NZ :NH3+ -143:sc=-0.00905 (180deg=-1.05) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.16) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 82 GLN : amide:sc= 1.48 K(o=1.5,f=-8.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0504 K(o=-0.05,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc=-0.00705 (180deg=-0.131) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0137) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 23 -3.089 7.560 4.601 1.00 0.00 N ATOM 2 CA GLY A 23 -1.894 8.114 3.929 1.00 0.00 C ATOM 3 C GLY A 23 -1.487 7.203 2.788 1.00 0.00 C ATOM 4 O GLY A 23 -2.235 6.282 2.493 1.00 0.00 O ATOM 0 HA2 GLY A 23 -2.107 9.114 3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.075 8.210 4.642 1.00 0.00 H new ATOM 8 N SER A 24 -0.342 7.463 2.154 1.00 0.00 N ATOM 9 CA SER A 24 0.266 6.609 1.107 1.00 0.00 C ATOM 10 C SER A 24 -0.563 6.332 -0.162 1.00 0.00 C ATOM 11 O SER A 24 -0.189 5.476 -0.958 1.00 0.00 O ATOM 12 CB SER A 24 0.769 5.293 1.716 1.00 0.00 C ATOM 13 OG SER A 24 1.471 5.553 2.922 1.00 0.00 O ATOM 0 H SER A 24 0.212 8.296 2.354 1.00 0.00 H new ATOM 0 HA SER A 24 1.089 7.220 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.072 4.628 1.911 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.422 4.781 1.009 1.00 0.00 H new ATOM 0 HG SER A 24 1.787 4.708 3.305 1.00 0.00 H new ATOM 19 N TYR A 25 -1.679 7.036 -0.387 1.00 0.00 N ATOM 20 CA TYR A 25 -2.461 6.913 -1.623 1.00 0.00 C ATOM 21 C TYR A 25 -1.689 7.450 -2.844 1.00 0.00 C ATOM 22 O TYR A 25 -1.063 8.507 -2.768 1.00 0.00 O ATOM 23 CB TYR A 25 -3.775 7.695 -1.480 1.00 0.00 C ATOM 24 CG TYR A 25 -4.729 7.240 -0.387 1.00 0.00 C ATOM 25 CD1 TYR A 25 -5.142 5.894 -0.313 1.00 0.00 C ATOM 26 CD2 TYR A 25 -5.278 8.187 0.504 1.00 0.00 C ATOM 27 CE1 TYR A 25 -6.092 5.497 0.646 1.00 0.00 C ATOM 28 CE2 TYR A 25 -6.241 7.795 1.455 1.00 0.00 C ATOM 29 CZ TYR A 25 -6.652 6.445 1.524 1.00 0.00 C ATOM 30 OH TYR A 25 -7.590 6.054 2.424 1.00 0.00 O ATOM 0 H TYR A 25 -2.064 7.705 0.280 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.661 5.854 -1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.529 8.742 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.303 7.649 -2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.728 5.166 -0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.958 9.218 0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.393 4.462 0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.664 8.525 2.130 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.875 6.826 2.956 1.00 0.00 H new ATOM 40 N GLY A 26 -1.794 6.766 -3.989 1.00 0.00 N ATOM 41 CA GLY A 26 -1.175 7.205 -5.250 1.00 0.00 C ATOM 42 C GLY A 26 -1.934 8.364 -5.908 1.00 0.00 C ATOM 43 O GLY A 26 -1.389 9.459 -6.076 1.00 0.00 O ATOM 0 H GLY A 26 -2.311 5.891 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.147 7.512 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.133 6.364 -5.942 1.00 0.00 H new ATOM 47 N GLN A 27 -3.223 8.154 -6.204 1.00 0.00 N ATOM 48 CA GLN A 27 -4.111 9.199 -6.725 1.00 0.00 C ATOM 49 C GLN A 27 -5.077 9.746 -5.671 1.00 0.00 C ATOM 50 O GLN A 27 -6.245 9.387 -5.570 1.00 0.00 O ATOM 51 CB GLN A 27 -4.782 8.845 -8.070 1.00 0.00 C ATOM 52 CG GLN A 27 -3.882 9.268 -9.252 1.00 0.00 C ATOM 53 CD GLN A 27 -4.609 9.607 -10.554 1.00 0.00 C ATOM 54 OE1 GLN A 27 -4.199 9.187 -11.623 1.00 0.00 O ATOM 55 NE2 GLN A 27 -5.650 10.409 -10.564 1.00 0.00 N ATOM 0 H GLN A 27 -3.681 7.250 -6.088 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.454 10.033 -6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.973 7.773 -8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.748 9.345 -8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.298 10.137 -8.947 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.175 8.463 -9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.018 10.778 -9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.090 10.663 -11.449 1.00 0.00 H new ATOM 64 N SER A 28 -4.529 10.658 -4.880 1.00 0.00 N ATOM 65 CA SER A 28 -5.242 11.504 -3.932 1.00 0.00 C ATOM 66 C SER A 28 -4.769 12.924 -4.184 1.00 0.00 C ATOM 67 O SER A 28 -3.685 13.126 -4.754 1.00 0.00 O ATOM 68 CB SER A 28 -4.991 11.143 -2.462 1.00 0.00 C ATOM 69 OG SER A 28 -3.757 11.667 -1.966 1.00 0.00 O ATOM 0 H SER A 28 -3.525 10.837 -4.882 1.00 0.00 H new ATOM 0 HA SER A 28 -6.312 11.371 -4.089 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.812 11.523 -1.854 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.989 10.058 -2.354 1.00 0.00 H new ATOM 0 HG SER A 28 -3.407 11.074 -1.268 1.00 0.00 H new ATOM 75 N CYS A 29 -5.537 13.883 -3.688 1.00 0.00 N ATOM 76 CA CYS A 29 -5.161 15.284 -3.703 1.00 0.00 C ATOM 77 C CYS A 29 -3.792 15.485 -3.021 1.00 0.00 C ATOM 78 O CYS A 29 -3.311 14.622 -2.271 1.00 0.00 O ATOM 79 CB CYS A 29 -6.286 16.037 -2.993 1.00 0.00 C ATOM 80 SG CYS A 29 -6.419 17.777 -3.530 1.00 0.00 S ATOM 0 H CYS A 29 -6.446 13.706 -3.261 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.042 15.663 -4.718 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.232 15.530 -3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.116 16.005 -1.917 1.00 0.00 H new ATOM 85 N CYS A 30 -3.172 16.629 -3.279 1.00 0.00 N ATOM 86 CA CYS A 30 -1.905 17.042 -2.664 1.00 0.00 C ATOM 87 C CYS A 30 -1.943 18.477 -2.119 1.00 0.00 C ATOM 88 O CYS A 30 -0.914 19.006 -1.695 1.00 0.00 O ATOM 89 CB CYS A 30 -0.772 16.815 -3.675 1.00 0.00 C ATOM 90 SG CYS A 30 0.659 16.077 -2.823 1.00 0.00 S ATOM 0 H CYS A 30 -3.540 17.316 -3.937 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.722 16.426 -1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.111 16.158 -4.476 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.487 17.760 -4.137 1.00 0.00 H new ATOM 0 HG CYS A 30 1.494 17.015 -2.485 1.00 0.00 H new ATOM 96 N LEU A 31 -3.124 19.105 -2.155 1.00 0.00 N ATOM 97 CA LEU A 31 -3.362 20.415 -1.554 1.00 0.00 C ATOM 98 C LEU A 31 -3.444 20.301 -0.023 1.00 0.00 C ATOM 99 O LEU A 31 -3.588 19.214 0.538 1.00 0.00 O ATOM 100 CB LEU A 31 -4.655 21.019 -2.140 1.00 0.00 C ATOM 101 CG LEU A 31 -4.540 21.391 -3.628 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.924 21.647 -4.212 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.703 22.644 -3.868 1.00 0.00 C ATOM 0 H LEU A 31 -3.948 18.710 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.529 21.078 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.469 20.305 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.921 21.910 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.049 20.546 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.831 21.910 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.532 20.748 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.400 22.467 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.660 22.854 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.157 23.489 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.694 22.486 -3.488 1.00 0.00 H new ATOM 115 N ILE A 32 -3.403 21.440 0.651 1.00 0.00 N ATOM 116 CA ILE A 32 -3.561 21.583 2.093 1.00 0.00 C ATOM 117 C ILE A 32 -4.510 22.759 2.273 1.00 0.00 C ATOM 118 O ILE A 32 -4.330 23.765 1.591 1.00 0.00 O ATOM 119 CB ILE A 32 -2.190 21.863 2.755 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.229 20.662 2.611 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.360 22.249 4.236 1.00 0.00 C ATOM 122 CD1 ILE A 32 0.160 20.876 3.229 1.00 0.00 C ATOM 0 H ILE A 32 -3.251 22.335 0.186 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.952 20.680 2.561 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.744 22.707 2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.688 19.789 3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.110 20.434 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.382 22.440 4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.973 23.147 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.846 21.433 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.766 19.982 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.644 21.727 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.057 21.071 4.296 1.00 0.00 H new ATOM 134 N GLU A 33 -5.491 22.669 3.170 1.00 0.00 N ATOM 135 CA GLU A 33 -6.366 23.803 3.478 1.00 0.00 C ATOM 136 C GLU A 33 -6.467 24.010 4.991 1.00 0.00 C ATOM 137 O GLU A 33 -6.850 23.121 5.746 1.00 0.00 O ATOM 138 CB GLU A 33 -7.707 23.706 2.732 1.00 0.00 C ATOM 139 CG GLU A 33 -8.277 25.125 2.561 1.00 0.00 C ATOM 140 CD GLU A 33 -9.382 25.279 1.506 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.784 24.266 0.876 1.00 0.00 O ATOM 142 OE2 GLU A 33 -9.759 26.453 1.281 1.00 0.00 O ATOM 0 H GLU A 33 -5.701 21.822 3.698 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.920 24.721 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.566 23.235 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.406 23.082 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.670 25.457 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.458 25.796 2.303 1.00 0.00 H new ATOM 149 N ASP A 34 -5.987 25.175 5.432 1.00 0.00 N ATOM 150 CA ASP A 34 -5.801 25.599 6.838 1.00 0.00 C ATOM 151 C ASP A 34 -4.874 24.670 7.665 1.00 0.00 C ATOM 152 O ASP A 34 -4.667 24.875 8.858 1.00 0.00 O ATOM 153 CB ASP A 34 -7.163 25.871 7.525 1.00 0.00 C ATOM 154 CG ASP A 34 -7.252 27.242 8.210 1.00 0.00 C ATOM 155 OD1 ASP A 34 -6.216 27.876 8.521 1.00 0.00 O ATOM 156 OD2 ASP A 34 -8.368 27.809 8.307 1.00 0.00 O ATOM 0 H ASP A 34 -5.696 25.902 4.779 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.259 26.544 6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.956 25.796 6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.347 25.093 8.266 1.00 0.00 H new ATOM 161 N GLY A 35 -4.299 23.647 7.021 1.00 0.00 N ATOM 162 CA GLY A 35 -3.466 22.595 7.606 1.00 0.00 C ATOM 163 C GLY A 35 -3.987 21.186 7.311 1.00 0.00 C ATOM 164 O GLY A 35 -3.235 20.220 7.435 1.00 0.00 O ATOM 0 H GLY A 35 -4.412 23.526 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.450 22.688 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.414 22.739 8.685 1.00 0.00 H new ATOM 168 N GLU A 36 -5.246 21.039 6.883 1.00 0.00 N ATOM 169 CA GLU A 36 -5.798 19.753 6.460 1.00 0.00 C ATOM 170 C GLU A 36 -5.218 19.346 5.102 1.00 0.00 C ATOM 171 O GLU A 36 -5.590 19.877 4.053 1.00 0.00 O ATOM 172 CB GLU A 36 -7.337 19.756 6.427 1.00 0.00 C ATOM 173 CG GLU A 36 -7.812 18.307 6.160 1.00 0.00 C ATOM 174 CD GLU A 36 -9.316 18.064 6.351 1.00 0.00 C ATOM 175 OE1 GLU A 36 -9.848 18.515 7.390 1.00 0.00 O ATOM 176 OE2 GLU A 36 -9.901 17.336 5.512 1.00 0.00 O ATOM 0 H GLU A 36 -5.909 21.811 6.821 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.505 19.012 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.738 20.120 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.700 20.426 5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.544 18.037 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.265 17.635 6.822 1.00 0.00 H new ATOM 183 N ARG A 37 -4.266 18.407 5.127 1.00 0.00 N ATOM 184 CA ARG A 37 -3.669 17.798 3.935 1.00 0.00 C ATOM 185 C ARG A 37 -4.728 16.987 3.181 1.00 0.00 C ATOM 186 O ARG A 37 -4.887 15.799 3.461 1.00 0.00 O ATOM 187 CB ARG A 37 -2.434 16.959 4.341 1.00 0.00 C ATOM 188 CG ARG A 37 -1.360 16.774 3.253 1.00 0.00 C ATOM 189 CD ARG A 37 -1.864 16.554 1.822 1.00 0.00 C ATOM 190 NE ARG A 37 -2.582 15.292 1.631 1.00 0.00 N ATOM 191 CZ ARG A 37 -2.137 14.228 1.005 1.00 0.00 C ATOM 192 NH1 ARG A 37 -0.876 13.936 0.886 1.00 0.00 N ATOM 193 NH2 ARG A 37 -3.008 13.453 0.436 1.00 0.00 N ATOM 0 H ARG A 37 -3.881 18.041 5.998 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.316 18.569 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.969 17.429 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.776 15.974 4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.717 17.654 3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.738 15.923 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.521 17.379 1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.014 16.584 1.140 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.522 15.234 2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.170 14.550 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.593 13.093 0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.001 13.680 0.485 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.700 12.617 -0.060 1.00 0.00 H new ATOM 207 N CYS A 38 -5.418 17.601 2.219 1.00 0.00 N ATOM 208 CA CYS A 38 -6.518 17.017 1.446 1.00 0.00 C ATOM 209 C CYS A 38 -6.235 15.563 1.024 1.00 0.00 C ATOM 210 O CYS A 38 -5.162 15.205 0.525 1.00 0.00 O ATOM 211 CB CYS A 38 -6.845 17.967 0.286 1.00 0.00 C ATOM 212 SG CYS A 38 -8.487 17.613 -0.430 1.00 0.00 S ATOM 0 H CYS A 38 -5.217 18.562 1.944 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.409 16.926 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.816 18.998 0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.082 17.874 -0.487 1.00 0.00 H new ATOM 217 N VAL A 39 -7.216 14.698 1.259 1.00 0.00 N ATOM 218 CA VAL A 39 -7.131 13.236 1.069 1.00 0.00 C ATOM 219 C VAL A 39 -8.210 12.669 0.155 1.00 0.00 C ATOM 220 O VAL A 39 -8.262 11.454 -0.038 1.00 0.00 O ATOM 221 CB VAL A 39 -7.068 12.487 2.421 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.625 12.425 2.924 1.00 0.00 C ATOM 223 CG2 VAL A 39 -7.938 13.114 3.517 1.00 0.00 C ATOM 0 H VAL A 39 -8.130 14.997 1.600 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.190 13.063 0.546 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.460 11.490 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.594 11.895 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.008 11.898 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.243 13.437 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.842 12.534 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.612 14.138 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.980 13.117 3.197 1.00 0.00 H new ATOM 233 N ARG A 40 -9.039 13.520 -0.461 1.00 0.00 N ATOM 234 CA ARG A 40 -10.009 13.080 -1.474 1.00 0.00 C ATOM 235 C ARG A 40 -9.288 12.394 -2.652 1.00 0.00 C ATOM 236 O ARG A 40 -8.122 12.715 -2.924 1.00 0.00 O ATOM 237 CB ARG A 40 -10.825 14.279 -1.973 1.00 0.00 C ATOM 238 CG ARG A 40 -12.120 14.515 -1.189 1.00 0.00 C ATOM 239 CD ARG A 40 -12.873 15.682 -1.838 1.00 0.00 C ATOM 240 NE ARG A 40 -14.299 15.721 -1.448 1.00 0.00 N ATOM 241 CZ ARG A 40 -15.337 15.451 -2.229 1.00 0.00 C ATOM 242 NH1 ARG A 40 -15.210 14.997 -3.439 1.00 0.00 N ATOM 243 NH2 ARG A 40 -16.550 15.643 -1.799 1.00 0.00 N ATOM 0 H ARG A 40 -9.058 14.523 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.686 12.357 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.208 15.176 -1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.070 14.128 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.736 13.616 -1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.896 14.741 -0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.396 16.620 -1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.798 15.601 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.505 15.981 -0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.281 14.833 -3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.039 14.804 -4.001 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.706 16.003 -0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.344 15.434 -2.404 1.00 0.00 H new ATOM 257 N PRO A 41 -9.962 11.471 -3.362 1.00 0.00 N ATOM 258 CA PRO A 41 -9.387 10.789 -4.515 1.00 0.00 C ATOM 259 C PRO A 41 -9.113 11.790 -5.638 1.00 0.00 C ATOM 260 O PRO A 41 -9.978 12.594 -5.987 1.00 0.00 O ATOM 261 CB PRO A 41 -10.423 9.740 -4.934 1.00 0.00 C ATOM 262 CG PRO A 41 -11.750 10.330 -4.458 1.00 0.00 C ATOM 263 CD PRO A 41 -11.356 11.076 -3.183 1.00 0.00 C ATOM 0 HA PRO A 41 -8.431 10.319 -4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.419 9.582 -6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.225 8.774 -4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.183 11.000 -5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.489 9.554 -4.260 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.992 11.948 -3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.471 10.438 -2.306 1.00 0.00 H new ATOM 271 N ALA A 42 -7.909 11.747 -6.208 1.00 0.00 N ATOM 272 CA ALA A 42 -7.589 12.570 -7.370 1.00 0.00 C ATOM 273 C ALA A 42 -8.186 11.918 -8.620 1.00 0.00 C ATOM 274 O ALA A 42 -7.895 10.758 -8.908 1.00 0.00 O ATOM 275 CB ALA A 42 -6.074 12.755 -7.511 1.00 0.00 C ATOM 0 H ALA A 42 -7.144 11.154 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.022 13.562 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.863 13.372 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.682 13.243 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.598 11.782 -7.630 1.00 0.00 H new ATOM 281 N GLY A 43 -8.978 12.674 -9.374 1.00 0.00 N ATOM 282 CA GLY A 43 -9.560 12.252 -10.649 1.00 0.00 C ATOM 283 C GLY A 43 -8.998 13.080 -11.803 1.00 0.00 C ATOM 284 O GLY A 43 -7.802 13.352 -11.873 1.00 0.00 O ATOM 0 H GLY A 43 -9.241 13.623 -9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.350 11.196 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.644 12.360 -10.612 1.00 0.00 H new ATOM 288 N ASN A 44 -9.870 13.494 -12.725 1.00 0.00 N ATOM 289 CA ASN A 44 -9.552 14.406 -13.830 1.00 0.00 C ATOM 290 C ASN A 44 -9.250 15.826 -13.283 1.00 0.00 C ATOM 291 O ASN A 44 -10.070 16.732 -13.428 1.00 0.00 O ATOM 292 CB ASN A 44 -10.728 14.337 -14.839 1.00 0.00 C ATOM 293 CG ASN A 44 -10.584 15.190 -16.099 1.00 0.00 C ATOM 294 OD1 ASN A 44 -10.739 16.402 -16.091 1.00 0.00 O ATOM 295 ND2 ASN A 44 -10.368 14.579 -17.240 1.00 0.00 N ATOM 0 H ASN A 44 -10.846 13.196 -12.725 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.644 14.116 -14.359 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.860 13.298 -15.141 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.640 14.638 -14.324 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.331 15.115 -18.107 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.237 13.568 -17.260 1.00 0.00 H new ATOM 302 N ALA A 45 -8.137 16.023 -12.567 1.00 0.00 N ATOM 303 CA ALA A 45 -7.716 17.324 -12.044 1.00 0.00 C ATOM 304 C ALA A 45 -6.210 17.371 -11.709 1.00 0.00 C ATOM 305 O ALA A 45 -5.691 16.514 -10.994 1.00 0.00 O ATOM 306 CB ALA A 45 -8.540 17.653 -10.793 1.00 0.00 C ATOM 0 H ALA A 45 -7.493 15.268 -12.332 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.890 18.066 -12.823 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.231 18.621 -10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.598 17.688 -11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.377 16.884 -10.037 1.00 0.00 H new ATOM 312 N SER A 46 -5.516 18.419 -12.172 1.00 0.00 N ATOM 313 CA SER A 46 -4.092 18.632 -11.876 1.00 0.00 C ATOM 314 C SER A 46 -3.704 20.110 -11.712 1.00 0.00 C ATOM 315 O SER A 46 -4.229 21.018 -12.370 1.00 0.00 O ATOM 316 CB SER A 46 -3.191 17.943 -12.915 1.00 0.00 C ATOM 317 OG SER A 46 -3.559 18.242 -14.250 1.00 0.00 O ATOM 0 H SER A 46 -5.925 19.143 -12.762 1.00 0.00 H new ATOM 0 HA SER A 46 -3.927 18.167 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.158 18.248 -12.751 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.232 16.864 -12.765 1.00 0.00 H new ATOM 0 HG SER A 46 -2.954 17.781 -14.867 1.00 0.00 H new ATOM 323 N PHE A 47 -2.757 20.339 -10.799 1.00 0.00 N ATOM 324 CA PHE A 47 -2.232 21.634 -10.355 1.00 0.00 C ATOM 325 C PHE A 47 -1.235 22.249 -11.365 1.00 0.00 C ATOM 326 O PHE A 47 -0.050 22.453 -11.099 1.00 0.00 O ATOM 327 CB PHE A 47 -1.672 21.476 -8.932 1.00 0.00 C ATOM 328 CG PHE A 47 -1.557 22.780 -8.179 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.699 23.323 -7.566 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.316 23.433 -8.055 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.599 24.506 -6.820 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.223 24.626 -7.319 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.366 25.169 -6.706 1.00 0.00 C ATOM 0 H PHE A 47 -2.302 19.566 -10.314 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.040 22.365 -10.317 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.315 20.798 -8.371 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.688 21.010 -8.987 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.654 22.829 -7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.563 23.017 -8.525 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.474 24.909 -6.331 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.729 25.127 -7.224 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.296 26.092 -6.150 1.00 0.00 H new ATOM 343 N SER A 48 -1.724 22.506 -12.580 1.00 0.00 N ATOM 344 CA SER A 48 -0.935 23.132 -13.649 1.00 0.00 C ATOM 345 C SER A 48 -0.620 24.594 -13.315 1.00 0.00 C ATOM 346 O SER A 48 -1.466 25.296 -12.773 1.00 0.00 O ATOM 347 CB SER A 48 -1.635 23.016 -15.015 1.00 0.00 C ATOM 348 OG SER A 48 -2.993 23.443 -15.011 1.00 0.00 O ATOM 0 H SER A 48 -2.682 22.286 -12.853 1.00 0.00 H new ATOM 0 HA SER A 48 0.008 22.590 -13.719 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.082 23.606 -15.746 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.593 21.978 -15.346 1.00 0.00 H new ATOM 0 HG SER A 48 -3.553 22.756 -15.428 1.00 0.00 H new ATOM 354 N LYS A 49 0.563 25.093 -13.708 1.00 0.00 N ATOM 355 CA LYS A 49 1.087 26.448 -13.394 1.00 0.00 C ATOM 356 C LYS A 49 0.110 27.625 -13.614 1.00 0.00 C ATOM 357 O LYS A 49 0.225 28.659 -12.962 1.00 0.00 O ATOM 358 CB LYS A 49 2.436 26.635 -14.123 1.00 0.00 C ATOM 359 CG LYS A 49 3.139 27.957 -13.753 1.00 0.00 C ATOM 360 CD LYS A 49 4.660 28.001 -13.992 1.00 0.00 C ATOM 361 CE LYS A 49 5.085 28.074 -15.469 1.00 0.00 C ATOM 362 NZ LYS A 49 5.553 26.770 -16.007 1.00 0.00 N ATOM 0 H LYS A 49 1.212 24.549 -14.276 1.00 0.00 H new ATOM 0 HA LYS A 49 1.233 26.486 -12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.093 25.800 -13.881 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.268 26.607 -15.200 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.678 28.763 -14.324 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.950 28.164 -12.700 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.070 28.865 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.109 27.114 -13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.243 28.425 -16.066 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.881 28.811 -15.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.825 26.883 -17.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.374 26.443 -15.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.788 26.070 -15.934 1.00 0.00 H new ATOM 376 N ARG A 50 -0.872 27.485 -14.512 1.00 0.00 N ATOM 377 CA ARG A 50 -1.949 28.471 -14.734 1.00 0.00 C ATOM 378 C ARG A 50 -2.846 28.668 -13.499 1.00 0.00 C ATOM 379 O ARG A 50 -3.298 29.780 -13.245 1.00 0.00 O ATOM 380 CB ARG A 50 -2.755 28.097 -15.998 1.00 0.00 C ATOM 381 CG ARG A 50 -3.369 26.683 -15.989 1.00 0.00 C ATOM 382 CD ARG A 50 -3.956 26.303 -17.357 1.00 0.00 C ATOM 383 NE ARG A 50 -4.308 24.868 -17.413 1.00 0.00 N ATOM 384 CZ ARG A 50 -4.854 24.224 -18.433 1.00 0.00 C ATOM 385 NH1 ARG A 50 -5.146 24.803 -19.568 1.00 0.00 N ATOM 386 NH2 ARG A 50 -5.113 22.952 -18.320 1.00 0.00 N ATOM 0 H ARG A 50 -0.946 26.669 -15.119 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.483 29.442 -14.901 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.557 28.824 -16.126 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.102 28.187 -16.866 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.605 25.958 -15.708 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.151 26.632 -15.232 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.843 26.905 -17.554 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.234 26.533 -18.141 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.109 24.316 -16.578 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.954 25.796 -19.698 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.566 24.262 -20.323 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.895 22.462 -17.452 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.534 22.446 -19.099 1.00 0.00 H new ATOM 400 N VAL A 51 -3.068 27.601 -12.726 1.00 0.00 N ATOM 401 CA VAL A 51 -3.965 27.538 -11.558 1.00 0.00 C ATOM 402 C VAL A 51 -3.419 28.340 -10.368 1.00 0.00 C ATOM 403 O VAL A 51 -4.173 29.100 -9.760 1.00 0.00 O ATOM 404 CB VAL A 51 -4.240 26.058 -11.183 1.00 0.00 C ATOM 405 CG1 VAL A 51 -5.249 25.941 -10.040 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.844 25.297 -12.374 1.00 0.00 C ATOM 0 H VAL A 51 -2.605 26.710 -12.903 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.912 28.006 -11.828 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.279 25.638 -10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.415 24.889 -9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.861 26.451 -9.158 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.192 26.399 -10.339 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.029 24.261 -12.088 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.784 25.766 -12.667 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.149 25.323 -13.213 1.00 0.00 H new ATOM 416 N GLN A 52 -2.103 28.278 -10.114 1.00 0.00 N ATOM 417 CA GLN A 52 -1.403 29.045 -9.066 1.00 0.00 C ATOM 418 C GLN A 52 -1.757 30.546 -9.067 1.00 0.00 C ATOM 419 O GLN A 52 -2.025 31.115 -8.011 1.00 0.00 O ATOM 420 CB GLN A 52 0.122 28.866 -9.233 1.00 0.00 C ATOM 421 CG GLN A 52 0.628 27.465 -8.859 1.00 0.00 C ATOM 422 CD GLN A 52 2.115 27.268 -9.179 1.00 0.00 C ATOM 423 OE1 GLN A 52 2.527 27.261 -10.329 1.00 0.00 O ATOM 424 NE2 GLN A 52 2.981 27.113 -8.199 1.00 0.00 N ATOM 0 H GLN A 52 -1.476 27.675 -10.647 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.735 28.649 -8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.391 29.075 -10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.634 29.604 -8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.464 27.296 -7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.043 26.717 -9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.661 27.115 -7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.972 26.991 -8.408 1.00 0.00 H new ATOM 433 N LYS A 53 -1.829 31.192 -10.241 1.00 0.00 N ATOM 434 CA LYS A 53 -2.245 32.605 -10.354 1.00 0.00 C ATOM 435 C LYS A 53 -3.699 32.835 -9.936 1.00 0.00 C ATOM 436 O LYS A 53 -4.004 33.801 -9.244 1.00 0.00 O ATOM 437 CB LYS A 53 -2.025 33.111 -11.785 1.00 0.00 C ATOM 438 CG LYS A 53 -0.574 33.557 -12.013 1.00 0.00 C ATOM 439 CD LYS A 53 -0.417 34.091 -13.442 1.00 0.00 C ATOM 440 CE LYS A 53 0.847 34.948 -13.626 1.00 0.00 C ATOM 441 NZ LYS A 53 2.104 34.182 -13.418 1.00 0.00 N ATOM 0 H LYS A 53 -1.603 30.756 -11.135 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.622 33.170 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.279 32.322 -12.493 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.698 33.945 -11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.303 34.330 -11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.104 32.719 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.385 33.252 -14.137 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.293 34.685 -13.701 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.849 35.372 -14.630 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.817 35.784 -12.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.921 34.811 -13.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.121 33.798 -12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.151 33.400 -14.102 1.00 0.00 H new ATOM 455 N SER A 54 -4.612 31.952 -10.330 1.00 0.00 N ATOM 456 CA SER A 54 -6.009 32.057 -9.882 1.00 0.00 C ATOM 457 C SER A 54 -6.185 31.959 -8.363 1.00 0.00 C ATOM 458 O SER A 54 -7.120 32.551 -7.831 1.00 0.00 O ATOM 459 CB SER A 54 -6.898 31.010 -10.537 1.00 0.00 C ATOM 460 OG SER A 54 -8.208 31.538 -10.537 1.00 0.00 O ATOM 0 H SER A 54 -4.420 31.165 -10.949 1.00 0.00 H new ATOM 0 HA SER A 54 -6.313 33.056 -10.193 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.565 30.799 -11.553 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.859 30.070 -9.987 1.00 0.00 H new ATOM 0 HG SER A 54 -8.829 30.873 -10.173 1.00 0.00 H new ATOM 466 N ILE A 55 -5.297 31.235 -7.678 1.00 0.00 N ATOM 467 CA ILE A 55 -5.278 31.113 -6.214 1.00 0.00 C ATOM 468 C ILE A 55 -4.569 32.318 -5.576 1.00 0.00 C ATOM 469 O ILE A 55 -5.098 32.909 -4.636 1.00 0.00 O ATOM 470 CB ILE A 55 -4.599 29.785 -5.813 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.342 28.578 -6.434 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.573 29.623 -4.286 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.634 27.247 -6.185 1.00 0.00 C ATOM 0 H ILE A 55 -4.554 30.705 -8.133 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.303 31.105 -5.843 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.577 29.814 -6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.350 28.529 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.443 28.734 -7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.090 28.680 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.017 30.449 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.593 29.625 -3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.204 26.440 -6.645 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.635 27.279 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.557 27.071 -5.112 1.00 0.00 H new ATOM 485 N SER A 56 -3.414 32.734 -6.111 1.00 0.00 N ATOM 486 CA SER A 56 -2.607 33.857 -5.599 1.00 0.00 C ATOM 487 C SER A 56 -3.396 35.170 -5.577 1.00 0.00 C ATOM 488 O SER A 56 -3.572 35.770 -4.515 1.00 0.00 O ATOM 489 CB SER A 56 -1.347 34.003 -6.455 1.00 0.00 C ATOM 490 OG SER A 56 -0.498 35.011 -5.944 1.00 0.00 O ATOM 0 H SER A 56 -3.002 32.290 -6.932 1.00 0.00 H new ATOM 0 HA SER A 56 -2.331 33.636 -4.568 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.812 33.054 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.626 34.244 -7.481 1.00 0.00 H new ATOM 0 HG SER A 56 0.300 35.083 -6.508 1.00 0.00 H new ATOM 496 N GLN A 57 -4.010 35.547 -6.707 1.00 0.00 N ATOM 497 CA GLN A 57 -4.897 36.716 -6.789 1.00 0.00 C ATOM 498 C GLN A 57 -6.147 36.599 -5.890 1.00 0.00 C ATOM 499 O GLN A 57 -6.848 37.589 -5.678 1.00 0.00 O ATOM 500 CB GLN A 57 -5.309 36.982 -8.249 1.00 0.00 C ATOM 501 CG GLN A 57 -4.285 37.816 -9.038 1.00 0.00 C ATOM 502 CD GLN A 57 -3.187 37.010 -9.725 1.00 0.00 C ATOM 503 OE1 GLN A 57 -2.469 36.213 -9.156 1.00 0.00 O ATOM 504 NE2 GLN A 57 -2.991 37.202 -11.011 1.00 0.00 N ATOM 0 H GLN A 57 -3.906 35.049 -7.591 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.323 37.563 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.455 36.028 -8.756 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.269 37.498 -8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.816 38.395 -9.793 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.819 38.530 -8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.575 37.864 -11.523 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.255 36.689 -11.497 1.00 0.00 H new ATOM 513 N LYS A 58 -6.437 35.410 -5.344 1.00 0.00 N ATOM 514 CA LYS A 58 -7.523 35.171 -4.381 1.00 0.00 C ATOM 515 C LYS A 58 -7.047 35.007 -2.937 1.00 0.00 C ATOM 516 O LYS A 58 -7.916 35.034 -2.064 1.00 0.00 O ATOM 517 CB LYS A 58 -8.355 33.959 -4.837 1.00 0.00 C ATOM 518 CG LYS A 58 -9.416 34.357 -5.872 1.00 0.00 C ATOM 519 CD LYS A 58 -10.786 34.717 -5.265 1.00 0.00 C ATOM 520 CE LYS A 58 -10.824 35.903 -4.288 1.00 0.00 C ATOM 521 NZ LYS A 58 -10.555 35.518 -2.876 1.00 0.00 N ATOM 0 H LYS A 58 -5.910 34.565 -5.565 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.145 36.066 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.695 33.204 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.841 33.505 -3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.049 35.210 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.547 33.535 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.474 34.929 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.169 33.838 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.089 36.644 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.802 36.380 -4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.933 36.248 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.015 34.608 -2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.529 35.428 -2.730 1.00 0.00 H new ATOM 535 N LYS A 59 -5.737 34.907 -2.693 1.00 0.00 N ATOM 536 CA LYS A 59 -5.059 34.694 -1.401 1.00 0.00 C ATOM 537 C LYS A 59 -5.776 33.682 -0.487 1.00 0.00 C ATOM 538 O LYS A 59 -6.054 33.962 0.676 1.00 0.00 O ATOM 539 CB LYS A 59 -4.742 36.058 -0.765 1.00 0.00 C ATOM 540 CG LYS A 59 -3.602 35.969 0.266 1.00 0.00 C ATOM 541 CD LYS A 59 -3.037 37.330 0.707 1.00 0.00 C ATOM 542 CE LYS A 59 -3.999 38.183 1.549 1.00 0.00 C ATOM 543 NZ LYS A 59 -5.001 38.903 0.721 1.00 0.00 N ATOM 0 H LYS A 59 -5.063 34.978 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.105 34.197 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.468 36.766 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.637 36.448 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.965 35.438 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.793 35.373 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.126 37.161 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.754 37.895 -0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.517 37.542 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.425 38.906 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.178 39.843 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.639 39.009 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.889 38.361 0.701 1.00 0.00 H new ATOM 557 N LEU A 60 -6.153 32.548 -1.083 1.00 0.00 N ATOM 558 CA LEU A 60 -6.732 31.387 -0.401 1.00 0.00 C ATOM 559 C LEU A 60 -5.652 30.679 0.437 1.00 0.00 C ATOM 560 O LEU A 60 -4.465 30.804 0.143 1.00 0.00 O ATOM 561 CB LEU A 60 -7.283 30.414 -1.461 1.00 0.00 C ATOM 562 CG LEU A 60 -8.577 30.847 -2.168 1.00 0.00 C ATOM 563 CD1 LEU A 60 -8.900 29.869 -3.301 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.772 30.915 -1.216 1.00 0.00 C ATOM 0 H LEU A 60 -6.060 32.408 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.535 31.712 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.514 30.259 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.459 29.450 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.405 31.849 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.818 30.180 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.081 29.862 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.031 28.868 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.659 31.226 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.943 29.932 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.566 31.635 -0.424 1.00 0.00 H new ATOM 576 N LYS A 61 -6.075 29.899 1.435 1.00 0.00 N ATOM 577 CA LYS A 61 -5.213 29.072 2.302 1.00 0.00 C ATOM 578 C LYS A 61 -4.864 27.709 1.668 1.00 0.00 C ATOM 579 O LYS A 61 -4.938 26.696 2.352 1.00 0.00 O ATOM 580 CB LYS A 61 -5.915 28.850 3.656 1.00 0.00 C ATOM 581 CG LYS A 61 -6.241 30.117 4.461 1.00 0.00 C ATOM 582 CD LYS A 61 -6.718 29.657 5.843 1.00 0.00 C ATOM 583 CE LYS A 61 -7.041 30.805 6.801 1.00 0.00 C ATOM 584 NZ LYS A 61 -7.348 30.252 8.138 1.00 0.00 N ATOM 0 H LYS A 61 -7.063 29.819 1.675 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.275 29.610 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.844 28.308 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.284 28.206 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.362 30.755 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.012 30.704 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.606 29.037 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.949 29.028 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.196 31.491 6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.890 31.378 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.502 31.031 8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.207 29.668 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.552 29.667 8.463 1.00 0.00 H new ATOM 598 N LEU A 62 -4.585 27.669 0.362 1.00 0.00 N ATOM 599 CA LEU A 62 -4.354 26.428 -0.393 1.00 0.00 C ATOM 600 C LEU A 62 -2.861 26.167 -0.628 1.00 0.00 C ATOM 601 O LEU A 62 -2.302 26.630 -1.625 1.00 0.00 O ATOM 602 CB LEU A 62 -5.157 26.431 -1.708 1.00 0.00 C ATOM 603 CG LEU A 62 -6.659 26.219 -1.536 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.284 26.302 -2.928 1.00 0.00 C ATOM 605 CD2 LEU A 62 -6.990 24.851 -0.950 1.00 0.00 C ATOM 0 H LEU A 62 -4.512 28.509 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.717 25.598 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.993 27.381 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.765 25.650 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.043 26.974 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.361 26.155 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.080 27.282 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.856 25.528 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.071 24.751 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.614 24.071 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.522 24.752 0.030 1.00 0.00 H new ATOM 617 N ASP A 63 -2.243 25.436 0.297 1.00 0.00 N ATOM 618 CA ASP A 63 -0.816 25.080 0.281 1.00 0.00 C ATOM 619 C ASP A 63 -0.548 23.741 -0.443 1.00 0.00 C ATOM 620 O ASP A 63 -1.475 23.048 -0.866 1.00 0.00 O ATOM 621 CB ASP A 63 -0.267 25.123 1.721 1.00 0.00 C ATOM 622 CG ASP A 63 0.028 26.560 2.144 1.00 0.00 C ATOM 623 OD1 ASP A 63 0.989 27.114 1.560 1.00 0.00 O ATOM 624 OD2 ASP A 63 -0.672 27.065 3.052 1.00 0.00 O ATOM 0 H ASP A 63 -2.734 25.060 1.108 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.271 25.817 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.990 24.679 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.642 24.525 1.787 1.00 0.00 H new ATOM 629 N ILE A 64 0.732 23.357 -0.602 1.00 0.00 N ATOM 630 CA ILE A 64 1.150 22.176 -1.385 1.00 0.00 C ATOM 631 C ILE A 64 2.010 21.204 -0.568 1.00 0.00 C ATOM 632 O ILE A 64 3.128 21.520 -0.147 1.00 0.00 O ATOM 633 CB ILE A 64 1.895 22.614 -2.675 1.00 0.00 C ATOM 634 CG1 ILE A 64 1.065 23.558 -3.577 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.359 21.396 -3.502 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.169 22.910 -4.214 1.00 0.00 C ATOM 0 H ILE A 64 1.515 23.862 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 64 0.243 21.640 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 64 2.763 23.173 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.744 24.415 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.708 23.940 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.876 21.740 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.036 20.786 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.493 20.800 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.689 23.645 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.141 22.071 -4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.838 22.553 -3.431 1.00 0.00 H new ATOM 648 N ASP A 65 1.508 19.981 -0.394 1.00 0.00 N ATOM 649 CA ASP A 65 2.236 18.895 0.258 1.00 0.00 C ATOM 650 C ASP A 65 3.364 18.349 -0.637 1.00 0.00 C ATOM 651 O ASP A 65 3.141 17.723 -1.680 1.00 0.00 O ATOM 652 CB ASP A 65 1.253 17.795 0.653 1.00 0.00 C ATOM 653 CG ASP A 65 1.916 16.594 1.330 1.00 0.00 C ATOM 654 OD1 ASP A 65 3.110 16.687 1.703 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.222 15.555 1.426 1.00 0.00 O ATOM 0 H ASP A 65 0.574 19.715 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 65 2.715 19.283 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.504 18.213 1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.726 17.454 -0.238 1.00 0.00 H new ATOM 660 N LYS A 66 4.607 18.565 -0.199 1.00 0.00 N ATOM 661 CA LYS A 66 5.809 18.070 -0.883 1.00 0.00 C ATOM 662 C LYS A 66 6.088 16.578 -0.654 1.00 0.00 C ATOM 663 O LYS A 66 7.006 16.079 -1.302 1.00 0.00 O ATOM 664 CB LYS A 66 7.027 18.944 -0.533 1.00 0.00 C ATOM 665 CG LYS A 66 6.833 20.389 -1.027 1.00 0.00 C ATOM 666 CD LYS A 66 8.130 21.213 -1.059 1.00 0.00 C ATOM 667 CE LYS A 66 8.735 21.406 0.340 1.00 0.00 C ATOM 668 NZ LYS A 66 9.928 22.292 0.304 1.00 0.00 N ATOM 0 H LYS A 66 4.811 19.094 0.649 1.00 0.00 H new ATOM 0 HA LYS A 66 5.613 18.155 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.181 18.943 0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.924 18.520 -0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.403 20.366 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.111 20.890 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.857 20.716 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.927 22.188 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.985 21.832 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.014 20.437 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.310 22.400 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.654 21.872 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.657 23.225 -0.067 1.00 0.00 H new ATOM 682 N SER A 67 5.330 15.863 0.186 1.00 0.00 N ATOM 683 CA SER A 67 5.522 14.430 0.492 1.00 0.00 C ATOM 684 C SER A 67 5.581 13.536 -0.753 1.00 0.00 C ATOM 685 O SER A 67 6.440 12.662 -0.841 1.00 0.00 O ATOM 686 CB SER A 67 4.394 13.955 1.420 1.00 0.00 C ATOM 687 OG SER A 67 4.546 12.588 1.745 1.00 0.00 O ATOM 0 H SER A 67 4.542 16.272 0.689 1.00 0.00 H new ATOM 0 HA SER A 67 6.493 14.339 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.394 14.551 2.332 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.430 14.112 0.936 1.00 0.00 H new ATOM 0 HG SER A 67 3.817 12.310 2.338 1.00 0.00 H new ATOM 693 N VAL A 68 4.735 13.814 -1.756 1.00 0.00 N ATOM 694 CA VAL A 68 4.607 12.990 -2.980 1.00 0.00 C ATOM 695 C VAL A 68 5.076 13.742 -4.238 1.00 0.00 C ATOM 696 O VAL A 68 5.083 13.189 -5.332 1.00 0.00 O ATOM 697 CB VAL A 68 3.159 12.453 -3.121 1.00 0.00 C ATOM 698 CG1 VAL A 68 3.009 11.369 -4.203 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.664 11.809 -1.817 1.00 0.00 C ATOM 0 H VAL A 68 4.113 14.622 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 68 5.273 12.133 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 68 2.576 13.334 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.971 11.039 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.301 11.778 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.649 10.521 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.646 11.445 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.315 10.976 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.679 12.549 -1.017 1.00 0.00 H new ATOM 709 N ARG A 69 5.470 15.021 -4.113 1.00 0.00 N ATOM 710 CA ARG A 69 5.933 15.922 -5.199 1.00 0.00 C ATOM 711 C ARG A 69 5.111 15.881 -6.515 1.00 0.00 C ATOM 712 O ARG A 69 5.636 16.227 -7.570 1.00 0.00 O ATOM 713 CB ARG A 69 7.451 15.724 -5.450 1.00 0.00 C ATOM 714 CG ARG A 69 8.328 16.026 -4.220 1.00 0.00 C ATOM 715 CD ARG A 69 9.828 16.121 -4.558 1.00 0.00 C ATOM 716 NE ARG A 69 10.448 14.800 -4.791 1.00 0.00 N ATOM 717 CZ ARG A 69 11.659 14.561 -5.268 1.00 0.00 C ATOM 718 NH1 ARG A 69 12.444 15.514 -5.694 1.00 0.00 N ATOM 719 NH2 ARG A 69 12.113 13.342 -5.321 1.00 0.00 N ATOM 0 H ARG A 69 5.477 15.486 -3.205 1.00 0.00 H new ATOM 0 HA ARG A 69 5.751 16.931 -4.830 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.627 14.696 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.761 16.368 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.003 16.964 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.178 15.246 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.957 16.739 -5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.348 16.623 -3.742 1.00 0.00 H new ATOM 0 HE ARG A 69 9.881 13.984 -4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.130 16.484 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.371 15.288 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.535 12.568 -4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.047 13.161 -5.689 1.00 0.00 H new ATOM 733 N HIS A 70 3.830 15.489 -6.476 1.00 0.00 N ATOM 734 CA HIS A 70 2.975 15.304 -7.666 1.00 0.00 C ATOM 735 C HIS A 70 1.951 16.438 -7.835 1.00 0.00 C ATOM 736 O HIS A 70 1.456 16.979 -6.851 1.00 0.00 O ATOM 737 CB HIS A 70 2.342 13.889 -7.672 1.00 0.00 C ATOM 738 CG HIS A 70 1.247 13.562 -6.663 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.831 14.328 -5.608 1.00 0.00 N flip ATOM 740 CD2 HIS A 70 0.447 12.421 -6.659 1.00 0.00 C flip ATOM 741 CE1 HIS A 70 -0.226 13.679 -5.000 1.00 0.00 C flip ATOM 742 NE2 HIS A 70 -0.446 12.526 -5.653 1.00 0.00 N flip ATOM 0 H HIS A 70 3.346 15.287 -5.601 1.00 0.00 H new ATOM 0 HA HIS A 70 3.609 15.368 -8.551 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.933 13.716 -8.668 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.147 13.168 -7.528 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.231 15.221 -5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.528 11.592 -7.346 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.781 14.037 -4.146 1.00 0.00 H new ATOM 751 N LEU A 71 1.587 16.775 -9.075 1.00 0.00 N ATOM 752 CA LEU A 71 0.652 17.874 -9.377 1.00 0.00 C ATOM 753 C LEU A 71 -0.815 17.417 -9.463 1.00 0.00 C ATOM 754 O LEU A 71 -1.535 17.853 -10.357 1.00 0.00 O ATOM 755 CB LEU A 71 1.087 18.622 -10.658 1.00 0.00 C ATOM 756 CG LEU A 71 2.526 19.170 -10.660 1.00 0.00 C ATOM 757 CD1 LEU A 71 2.787 19.917 -11.967 1.00 0.00 C ATOM 758 CD2 LEU A 71 2.794 20.143 -9.511 1.00 0.00 C ATOM 0 H LEU A 71 1.932 16.294 -9.906 1.00 0.00 H new ATOM 0 HA LEU A 71 0.699 18.565 -8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.975 17.946 -11.506 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.402 19.454 -10.820 1.00 0.00 H new ATOM 0 HG LEU A 71 3.185 18.309 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.806 20.305 -11.967 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.658 19.235 -12.808 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.084 20.745 -12.060 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.824 20.495 -9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.115 20.993 -9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.634 19.636 -8.560 1.00 0.00 H new ATOM 770 N TYR A 72 -1.269 16.536 -8.572 1.00 0.00 N ATOM 771 CA TYR A 72 -2.647 16.021 -8.575 1.00 0.00 C ATOM 772 C TYR A 72 -3.522 16.673 -7.503 1.00 0.00 C ATOM 773 O TYR A 72 -3.052 16.943 -6.398 1.00 0.00 O ATOM 774 CB TYR A 72 -2.628 14.495 -8.405 1.00 0.00 C ATOM 775 CG TYR A 72 -2.446 13.774 -9.725 1.00 0.00 C ATOM 776 CD1 TYR A 72 -3.459 13.887 -10.695 1.00 0.00 C ATOM 777 CD2 TYR A 72 -1.281 13.035 -10.005 1.00 0.00 C ATOM 778 CE1 TYR A 72 -3.304 13.285 -11.952 1.00 0.00 C ATOM 779 CE2 TYR A 72 -1.135 12.399 -11.256 1.00 0.00 C ATOM 780 CZ TYR A 72 -2.148 12.532 -12.236 1.00 0.00 C ATOM 781 OH TYR A 72 -2.007 11.958 -13.457 1.00 0.00 O ATOM 0 H TYR A 72 -0.692 16.155 -7.822 1.00 0.00 H new ATOM 0 HA TYR A 72 -3.092 16.278 -9.536 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.821 14.217 -7.727 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.560 14.171 -7.942 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.359 14.440 -10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.500 12.955 -9.263 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.072 13.399 -12.703 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.253 11.812 -11.465 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.155 11.474 -13.495 1.00 0.00 H new ATOM 791 N ILE A 73 -4.804 16.869 -7.830 1.00 0.00 N ATOM 792 CA ILE A 73 -5.833 17.381 -6.912 1.00 0.00 C ATOM 793 C ILE A 73 -7.136 16.574 -7.037 1.00 0.00 C ATOM 794 O ILE A 73 -7.311 15.805 -7.986 1.00 0.00 O ATOM 795 CB ILE A 73 -6.085 18.903 -7.088 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.895 19.254 -8.352 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.763 19.688 -7.053 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.205 20.746 -8.536 1.00 0.00 C ATOM 0 H ILE A 73 -5.166 16.672 -8.763 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.450 17.248 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.701 19.203 -6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.345 18.903 -9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.836 18.704 -8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.968 20.751 -7.178 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.268 19.524 -6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.115 19.346 -7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.777 20.888 -9.453 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.786 21.104 -7.686 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.272 21.306 -8.600 1.00 0.00 H new ATOM 810 N CYS A 74 -8.057 16.763 -6.092 1.00 0.00 N ATOM 811 CA CYS A 74 -9.400 16.183 -6.099 1.00 0.00 C ATOM 812 C CYS A 74 -10.433 17.000 -6.903 1.00 0.00 C ATOM 813 O CYS A 74 -10.219 18.154 -7.291 1.00 0.00 O ATOM 814 CB CYS A 74 -9.868 15.976 -4.656 1.00 0.00 C ATOM 815 SG CYS A 74 -10.127 17.546 -3.787 1.00 0.00 S ATOM 0 H CYS A 74 -7.882 17.344 -5.272 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.331 15.225 -6.615 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.797 15.405 -4.656 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -9.129 15.383 -4.118 1.00 0.00 H new ATOM 820 N ASP A 75 -11.605 16.404 -7.116 1.00 0.00 N ATOM 821 CA ASP A 75 -12.766 17.039 -7.748 1.00 0.00 C ATOM 822 C ASP A 75 -13.265 18.278 -6.984 1.00 0.00 C ATOM 823 O ASP A 75 -13.642 19.284 -7.592 1.00 0.00 O ATOM 824 CB ASP A 75 -13.904 16.000 -7.824 1.00 0.00 C ATOM 825 CG ASP A 75 -14.398 15.564 -6.430 1.00 0.00 C ATOM 826 OD1 ASP A 75 -13.574 15.057 -5.632 1.00 0.00 O ATOM 827 OD2 ASP A 75 -15.572 15.824 -6.082 1.00 0.00 O ATOM 0 H ASP A 75 -11.781 15.436 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 75 -12.461 17.379 -8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.738 16.419 -8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.557 15.125 -8.373 1.00 0.00 H new ATOM 832 N PHE A 76 -13.241 18.212 -5.651 1.00 0.00 N ATOM 833 CA PHE A 76 -13.759 19.237 -4.750 1.00 0.00 C ATOM 834 C PHE A 76 -12.909 20.505 -4.860 1.00 0.00 C ATOM 835 O PHE A 76 -13.420 21.587 -5.157 1.00 0.00 O ATOM 836 CB PHE A 76 -13.763 18.629 -3.340 1.00 0.00 C ATOM 837 CG PHE A 76 -14.678 19.267 -2.315 1.00 0.00 C ATOM 838 CD1 PHE A 76 -16.074 19.219 -2.498 1.00 0.00 C ATOM 839 CD2 PHE A 76 -14.150 19.813 -1.130 1.00 0.00 C ATOM 840 CE1 PHE A 76 -16.936 19.727 -1.508 1.00 0.00 C ATOM 841 CE2 PHE A 76 -15.010 20.320 -0.140 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.404 20.278 -0.328 1.00 0.00 C ATOM 0 H PHE A 76 -12.846 17.414 -5.154 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.775 19.539 -5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -14.034 17.577 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.745 18.665 -2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -16.484 18.791 -3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.081 19.843 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -18.006 19.694 -1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.600 20.742 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.064 20.668 0.432 1.00 0.00 H new ATOM 852 N HIS A 77 -11.584 20.357 -4.744 1.00 0.00 N ATOM 853 CA HIS A 77 -10.654 21.468 -4.952 1.00 0.00 C ATOM 854 C HIS A 77 -10.647 21.962 -6.409 1.00 0.00 C ATOM 855 O HIS A 77 -10.580 23.174 -6.625 1.00 0.00 O ATOM 856 CB HIS A 77 -9.258 21.096 -4.427 1.00 0.00 C ATOM 857 CG HIS A 77 -9.094 21.314 -2.927 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.574 20.396 -1.985 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.467 22.447 -2.259 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.669 21.015 -0.786 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.208 22.235 -0.927 1.00 0.00 N ATOM 0 H HIS A 77 -11.132 19.474 -4.506 1.00 0.00 H new ATOM 0 HA HIS A 77 -11.002 22.322 -4.370 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.059 20.050 -4.658 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.510 21.687 -4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.887 23.341 -2.697 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.355 20.586 0.154 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.394 22.895 -0.172 1.00 0.00 H new ATOM 869 N LYS A 78 -10.807 21.073 -7.403 1.00 0.00 N ATOM 870 CA LYS A 78 -10.952 21.477 -8.815 1.00 0.00 C ATOM 871 C LYS A 78 -12.121 22.453 -8.991 1.00 0.00 C ATOM 872 O LYS A 78 -11.956 23.461 -9.682 1.00 0.00 O ATOM 873 CB LYS A 78 -11.110 20.226 -9.705 1.00 0.00 C ATOM 874 CG LYS A 78 -11.585 20.517 -11.144 1.00 0.00 C ATOM 875 CD LYS A 78 -11.456 19.286 -12.058 1.00 0.00 C ATOM 876 CE LYS A 78 -12.345 19.396 -13.306 1.00 0.00 C ATOM 877 NZ LYS A 78 -12.015 18.353 -14.315 1.00 0.00 N ATOM 0 H LYS A 78 -10.840 20.064 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.050 22.004 -9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.153 19.706 -9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.820 19.547 -9.232 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.624 20.844 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.001 21.338 -11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.416 19.169 -12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.726 18.390 -11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.392 19.302 -13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.225 20.383 -13.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.403 18.762 -15.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.520 17.565 -13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.892 18.002 -14.751 1.00 0.00 H new ATOM 891 N ASN A 79 -13.285 22.182 -8.390 1.00 0.00 N ATOM 892 CA ASN A 79 -14.424 23.102 -8.482 1.00 0.00 C ATOM 893 C ASN A 79 -14.184 24.395 -7.689 1.00 0.00 C ATOM 894 O ASN A 79 -14.397 25.477 -8.237 1.00 0.00 O ATOM 895 CB ASN A 79 -15.712 22.391 -8.036 1.00 0.00 C ATOM 896 CG ASN A 79 -16.952 23.229 -8.337 1.00 0.00 C ATOM 897 OD1 ASN A 79 -17.269 24.187 -7.663 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.682 22.919 -9.384 1.00 0.00 N ATOM 0 H ASN A 79 -13.462 21.342 -7.840 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.538 23.399 -9.525 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.791 21.429 -8.543 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.663 22.185 -6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.501 23.480 -9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.430 22.117 -9.962 1.00 0.00 H new ATOM 905 N PHE A 80 -13.681 24.298 -6.453 1.00 0.00 N ATOM 906 CA PHE A 80 -13.454 25.444 -5.564 1.00 0.00 C ATOM 907 C PHE A 80 -12.645 26.550 -6.248 1.00 0.00 C ATOM 908 O PHE A 80 -13.056 27.712 -6.284 1.00 0.00 O ATOM 909 CB PHE A 80 -12.744 24.936 -4.298 1.00 0.00 C ATOM 910 CG PHE A 80 -12.480 25.977 -3.226 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.563 26.666 -2.642 1.00 0.00 C ATOM 912 CD2 PHE A 80 -11.173 26.198 -2.744 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.346 27.554 -1.572 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.964 27.069 -1.661 1.00 0.00 C ATOM 915 CZ PHE A 80 -12.047 27.741 -1.072 1.00 0.00 C ATOM 0 H PHE A 80 -13.416 23.406 -6.035 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.413 25.890 -5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.345 24.138 -3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.792 24.494 -4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.564 26.511 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.334 25.699 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.176 28.090 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.965 27.222 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.881 28.402 -0.234 1.00 0.00 H new ATOM 925 N ILE A 81 -11.529 26.171 -6.877 1.00 0.00 N ATOM 926 CA ILE A 81 -10.655 27.093 -7.601 1.00 0.00 C ATOM 927 C ILE A 81 -11.320 27.574 -8.902 1.00 0.00 C ATOM 928 O ILE A 81 -11.304 28.770 -9.196 1.00 0.00 O ATOM 929 CB ILE A 81 -9.293 26.421 -7.879 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.611 25.907 -6.585 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.385 27.443 -8.589 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.556 24.825 -6.857 1.00 0.00 C ATOM 0 H ILE A 81 -11.205 25.204 -6.897 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.482 27.973 -6.981 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.461 25.548 -8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.141 26.745 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.371 25.506 -5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.416 26.988 -8.795 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.848 27.751 -9.527 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.248 28.314 -7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.113 24.504 -5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -8.027 23.972 -7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.778 25.230 -7.504 1.00 0.00 H new ATOM 944 N GLN A 82 -11.919 26.670 -9.692 1.00 0.00 N ATOM 945 CA GLN A 82 -12.572 27.034 -10.960 1.00 0.00 C ATOM 946 C GLN A 82 -13.751 28.001 -10.787 1.00 0.00 C ATOM 947 O GLN A 82 -13.956 28.865 -11.641 1.00 0.00 O ATOM 948 CB GLN A 82 -13.011 25.776 -11.723 1.00 0.00 C ATOM 949 CG GLN A 82 -11.817 25.068 -12.386 1.00 0.00 C ATOM 950 CD GLN A 82 -11.321 25.757 -13.657 1.00 0.00 C ATOM 951 OE1 GLN A 82 -11.670 26.873 -14.005 1.00 0.00 O ATOM 952 NE2 GLN A 82 -10.477 25.123 -14.437 1.00 0.00 N ATOM 0 H GLN A 82 -11.965 25.675 -9.473 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.824 27.569 -11.545 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.507 25.089 -11.037 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -13.741 26.049 -12.485 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.997 25.012 -11.670 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.101 24.044 -12.626 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.156 24.187 -14.188 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.142 25.566 -15.292 1.00 0.00 H new ATOM 961 N SER A 83 -14.478 27.900 -9.671 1.00 0.00 N ATOM 962 CA SER A 83 -15.556 28.817 -9.301 1.00 0.00 C ATOM 963 C SER A 83 -15.043 30.260 -9.246 1.00 0.00 C ATOM 964 O SER A 83 -15.532 31.120 -9.981 1.00 0.00 O ATOM 965 CB SER A 83 -16.139 28.365 -7.957 1.00 0.00 C ATOM 966 OG SER A 83 -17.240 29.162 -7.570 1.00 0.00 O ATOM 0 H SER A 83 -14.329 27.161 -8.985 1.00 0.00 H new ATOM 0 HA SER A 83 -16.345 28.794 -10.053 1.00 0.00 H new ATOM 0 HB2 SER A 83 -16.451 27.323 -8.028 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.366 28.415 -7.190 1.00 0.00 H new ATOM 0 HG SER A 83 -17.587 28.845 -6.710 1.00 0.00 H new ATOM 972 N VAL A 84 -13.979 30.528 -8.476 1.00 0.00 N ATOM 973 CA VAL A 84 -13.359 31.867 -8.399 1.00 0.00 C ATOM 974 C VAL A 84 -12.568 32.254 -9.658 1.00 0.00 C ATOM 975 O VAL A 84 -12.456 33.438 -9.977 1.00 0.00 O ATOM 976 CB VAL A 84 -12.496 32.036 -7.135 1.00 0.00 C ATOM 977 CG1 VAL A 84 -13.362 31.901 -5.874 1.00 0.00 C ATOM 978 CG2 VAL A 84 -11.319 31.066 -7.012 1.00 0.00 C ATOM 0 H VAL A 84 -13.522 29.829 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.196 32.562 -8.334 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.070 33.034 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.738 32.023 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -14.136 32.668 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.828 30.916 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.776 31.268 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -11.692 30.042 -6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.650 31.196 -7.863 1.00 0.00 H new ATOM 988 N ARG A 85 -12.043 31.273 -10.407 1.00 0.00 N ATOM 989 CA ARG A 85 -11.349 31.502 -11.687 1.00 0.00 C ATOM 990 C ARG A 85 -12.274 32.134 -12.727 1.00 0.00 C ATOM 991 O ARG A 85 -11.832 33.043 -13.431 1.00 0.00 O ATOM 992 CB ARG A 85 -10.708 30.190 -12.172 1.00 0.00 C ATOM 993 CG ARG A 85 -9.621 30.345 -13.255 1.00 0.00 C ATOM 994 CD ARG A 85 -10.126 30.495 -14.694 1.00 0.00 C ATOM 995 NE ARG A 85 -10.970 29.360 -15.093 1.00 0.00 N ATOM 996 CZ ARG A 85 -11.642 29.216 -16.211 1.00 0.00 C ATOM 997 NH1 ARG A 85 -11.542 30.054 -17.202 1.00 0.00 N ATOM 998 NH2 ARG A 85 -12.424 28.188 -16.345 1.00 0.00 N ATOM 0 H ARG A 85 -12.088 30.289 -10.141 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.548 32.225 -11.532 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.271 29.680 -11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.495 29.543 -12.561 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.014 31.217 -13.011 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.964 29.476 -13.210 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.693 31.421 -14.786 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.276 30.573 -15.372 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.042 28.595 -14.423 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.923 30.861 -17.127 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.083 29.904 -18.054 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.508 27.509 -15.588 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.954 28.059 -17.207 1.00 0.00 H new ATOM 1012 N ASN A 86 -13.533 31.695 -12.807 1.00 0.00 N ATOM 1013 CA ASN A 86 -14.540 32.306 -13.685 1.00 0.00 C ATOM 1014 C ASN A 86 -15.221 33.535 -13.049 1.00 0.00 C ATOM 1015 O ASN A 86 -15.442 34.524 -13.750 1.00 0.00 O ATOM 1016 CB ASN A 86 -15.584 31.245 -14.101 1.00 0.00 C ATOM 1017 CG ASN A 86 -15.358 30.670 -15.494 1.00 0.00 C ATOM 1018 OD1 ASN A 86 -14.296 30.757 -16.090 1.00 0.00 O ATOM 1019 ND2 ASN A 86 -16.378 30.094 -16.090 1.00 0.00 N ATOM 0 H ASN A 86 -13.885 30.906 -12.265 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.023 32.672 -14.572 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.569 30.431 -13.376 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.578 31.691 -14.060 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.275 29.728 -17.036 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.272 30.013 -15.606 1.00 0.00 H new ATOM 1026 N LYS A 87 -15.538 33.502 -11.746 1.00 0.00 N ATOM 1027 CA LYS A 87 -16.210 34.587 -10.998 1.00 0.00 C ATOM 1028 C LYS A 87 -15.281 35.788 -10.740 1.00 0.00 C ATOM 1029 O LYS A 87 -14.886 36.053 -9.608 1.00 0.00 O ATOM 1030 CB LYS A 87 -16.800 34.028 -9.687 1.00 0.00 C ATOM 1031 CG LYS A 87 -17.960 33.035 -9.898 1.00 0.00 C ATOM 1032 CD LYS A 87 -19.331 33.710 -10.076 1.00 0.00 C ATOM 1033 CE LYS A 87 -19.854 34.371 -8.791 1.00 0.00 C ATOM 1034 NZ LYS A 87 -20.107 33.374 -7.719 1.00 0.00 N ATOM 0 H LYS A 87 -15.329 32.694 -11.160 1.00 0.00 H new ATOM 0 HA LYS A 87 -17.024 34.968 -11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.008 33.532 -9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.152 34.859 -9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.749 32.426 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -18.007 32.359 -9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.258 34.463 -10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -20.053 32.967 -10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.129 35.106 -8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -20.775 34.911 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.629 33.826 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.669 32.587 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.200 33.010 -7.362 1.00 0.00 H new ATOM 1048 N ARG A 88 -14.937 36.529 -11.799 1.00 0.00 N ATOM 1049 CA ARG A 88 -14.083 37.728 -11.745 1.00 0.00 C ATOM 1050 C ARG A 88 -14.431 38.746 -12.834 1.00 0.00 C ATOM 1051 O ARG A 88 -15.025 38.406 -13.857 1.00 0.00 O ATOM 1052 CB ARG A 88 -12.609 37.287 -11.817 1.00 0.00 C ATOM 1053 CG ARG A 88 -12.223 36.655 -13.169 1.00 0.00 C ATOM 1054 CD ARG A 88 -10.907 35.880 -13.063 1.00 0.00 C ATOM 1055 NE ARG A 88 -9.753 36.735 -12.726 1.00 0.00 N ATOM 1056 CZ ARG A 88 -8.556 36.286 -12.393 1.00 0.00 C ATOM 1057 NH1 ARG A 88 -8.284 35.013 -12.365 1.00 0.00 N ATOM 1058 NH2 ARG A 88 -7.599 37.114 -12.075 1.00 0.00 N ATOM 0 H ARG A 88 -15.252 36.308 -12.744 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.261 38.245 -10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.970 38.151 -11.633 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.413 36.570 -11.020 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.017 35.985 -13.500 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.129 37.435 -13.924 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.010 35.105 -12.304 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.713 35.376 -14.010 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.889 37.746 -12.752 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.005 34.332 -12.604 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.350 34.697 -12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.771 38.119 -12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.679 36.756 -11.820 1.00 0.00 H new ATOM 1072 N LYS A 89 -14.001 39.998 -12.633 1.00 0.00 N ATOM 1073 CA LYS A 89 -14.181 41.123 -13.572 1.00 0.00 C ATOM 1074 C LYS A 89 -13.784 40.728 -15.003 1.00 0.00 C ATOM 1075 O LYS A 89 -12.615 40.442 -15.270 1.00 0.00 O ATOM 1076 CB LYS A 89 -13.371 42.338 -13.077 1.00 0.00 C ATOM 1077 CG LYS A 89 -13.617 43.648 -13.853 1.00 0.00 C ATOM 1078 CD LYS A 89 -14.984 44.288 -13.548 1.00 0.00 C ATOM 1079 CE LYS A 89 -15.103 45.709 -14.126 1.00 0.00 C ATOM 1080 NZ LYS A 89 -15.330 45.728 -15.595 1.00 0.00 N ATOM 0 H LYS A 89 -13.501 40.269 -11.786 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.237 41.392 -13.602 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.605 42.507 -12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.310 42.095 -13.132 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.828 44.360 -13.610 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.548 43.448 -14.922 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.776 43.663 -13.960 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.134 44.323 -12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.924 46.228 -13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.193 46.264 -13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.401 46.712 -15.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.535 45.260 -16.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.213 45.225 -15.816 1.00 0.00 H new ATOM 1094 N ARG A 90 -14.762 40.712 -15.912 1.00 0.00 N ATOM 1095 CA ARG A 90 -14.568 40.478 -17.351 1.00 0.00 C ATOM 1096 C ARG A 90 -13.624 41.546 -17.941 1.00 0.00 C ATOM 1097 O ARG A 90 -13.688 42.707 -17.526 1.00 0.00 O ATOM 1098 CB ARG A 90 -15.956 40.499 -18.031 1.00 0.00 C ATOM 1099 CG ARG A 90 -16.098 39.626 -19.290 1.00 0.00 C ATOM 1100 CD ARG A 90 -16.539 38.173 -19.004 1.00 0.00 C ATOM 1101 NE ARG A 90 -15.478 37.317 -18.430 1.00 0.00 N ATOM 1102 CZ ARG A 90 -14.472 36.776 -19.094 1.00 0.00 C ATOM 1103 NH1 ARG A 90 -14.268 37.048 -20.353 1.00 0.00 N ATOM 1104 NH2 ARG A 90 -13.632 35.975 -18.509 1.00 0.00 N ATOM 0 H ARG A 90 -15.739 40.865 -15.663 1.00 0.00 H new ATOM 0 HA ARG A 90 -14.100 39.509 -17.526 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -16.701 40.178 -17.303 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.194 41.529 -18.297 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -16.822 40.089 -19.960 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.143 39.608 -19.816 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -17.386 38.191 -18.318 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -16.890 37.723 -19.932 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.528 37.127 -17.429 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.891 37.689 -20.844 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.485 36.619 -20.847 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.743 35.754 -17.519 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.862 35.568 -19.039 1.00 0.00 H new ATOM 1118 N LYS A 91 -12.768 41.154 -18.895 1.00 0.00 N ATOM 1119 CA LYS A 91 -11.868 42.039 -19.673 1.00 0.00 C ATOM 1120 C LYS A 91 -11.660 41.543 -21.109 1.00 0.00 C ATOM 1121 O LYS A 91 -11.830 42.314 -22.041 1.00 0.00 O ATOM 1122 CB LYS A 91 -10.480 42.199 -19.004 1.00 0.00 C ATOM 1123 CG LYS A 91 -10.385 43.335 -17.965 1.00 0.00 C ATOM 1124 CD LYS A 91 -10.420 42.877 -16.499 1.00 0.00 C ATOM 1125 CE LYS A 91 -9.180 42.079 -16.057 1.00 0.00 C ATOM 1126 NZ LYS A 91 -7.946 42.912 -16.042 1.00 0.00 N ATOM 0 H LYS A 91 -12.674 40.174 -19.162 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.371 43.006 -19.697 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.217 41.259 -18.518 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.737 42.375 -19.782 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.461 43.887 -18.136 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.207 44.030 -18.133 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.521 43.753 -15.859 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.307 42.264 -16.343 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.351 41.669 -15.062 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.036 41.233 -16.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.152 42.350 -15.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.728 43.227 -17.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.095 43.742 -15.433 1.00 0.00 H new ATOM 1140 N THR A 92 -11.381 40.248 -21.277 1.00 0.00 N ATOM 1141 CA THR A 92 -11.026 39.647 -22.578 1.00 0.00 C ATOM 1142 C THR A 92 -11.589 38.232 -22.723 1.00 0.00 C ATOM 1143 O THR A 92 -11.931 37.587 -21.720 1.00 0.00 O ATOM 1144 CB THR A 92 -9.497 39.571 -22.767 1.00 0.00 C ATOM 1145 OG1 THR A 92 -8.831 40.639 -22.128 1.00 0.00 O ATOM 1146 CG2 THR A 92 -9.114 39.616 -24.246 1.00 0.00 C ATOM 0 H THR A 92 -11.394 39.575 -20.510 1.00 0.00 H new ATOM 0 HA THR A 92 -11.464 40.295 -23.337 1.00 0.00 H new ATOM 0 HB THR A 92 -9.192 38.624 -22.322 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.865 40.554 -22.270 1.00 0.00 H new ATOM 0 HG21 THR A 92 -8.030 39.560 -24.343 1.00 0.00 H new ATOM 0 HG22 THR A 92 -9.568 38.772 -24.765 1.00 0.00 H new ATOM 0 HG23 THR A 92 -9.470 40.547 -24.686 1.00 0.00 H new TER 1154 THR A 92 HETATM 1155 ZN ZN A 100 -8.451 18.389 -2.507 1.00 0.00 ZN