USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -130:sc= -0.019! USER MOD Set 1.2: A 105 HEM CMB :methyl 150:sc= -0.0804 (180deg=-0.0804) USER MOD Set 2.1: A 53 GLN : amide:sc= -10.8! C(o=-26!,f=-31!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -15.3! (180deg=-9.73!) USER MOD Set 3.1: A 30 HIS : no HE2:sc= -9.92! C(o=-10!,f=-19!) USER MOD Set 3.2: A 34 TYR OH : rot 180:sc= -0.307 USER MOD Set 4.1: A 25 THR OG1 : rot -84:sc= 2.38 USER MOD Set 4.2: A 37 THR OG1 : rot -21:sc= 2.12 USER MOD Set 5.1: A 19 HIS : no HD1:sc= -18.4! C(o=-20!,f=-25!) USER MOD Set 5.2: A 24 SER OG : rot -65:sc= -1.12! USER MOD Single : A 1 ALA N :NH3+ -179:sc= 0 (180deg=-0.00261) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -139:sc= 0.73 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 17 GLN : amide:sc=-0.00728 X(o=-0.0073,f=-0.091) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.13 (180deg=-0.485) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.59! C(o=-9.7!,f=-4.6!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.154) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= -0.0458 (180deg=-0.35) USER MOD Single : A 59 THR OG1 : rot -3:sc= 1.42 USER MOD Single : A 61 ASN : amide:sc= -0.866 X(o=-0.87,f=-0.89) USER MOD Single : A 68 SER OG : rot -99:sc= 0.65 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -9.59! C(o=-9.6!,f=-12!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 13:sc= -0.0994 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -0.107 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -5.85! (180deg=-5.85!) USER MOD Single : A 105 HEM CMD :methyl -30:sc=-0.00231 (180deg=-0.202) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 30.867 -2.304 -29.011 1.00 0.00 N ATOM 2 CA ALA A 1 30.876 -1.192 -29.947 1.00 0.00 C ATOM 3 C ALA A 1 29.653 -0.307 -29.692 1.00 0.00 C ATOM 4 O ALA A 1 29.791 0.890 -29.442 1.00 0.00 O ATOM 5 CB ALA A 1 30.918 -1.728 -31.379 1.00 0.00 C ATOM 0 H1 ALA A 1 31.706 -2.898 -29.170 1.00 0.00 H new ATOM 0 H2 ALA A 1 30.881 -1.938 -28.037 1.00 0.00 H new ATOM 0 H3 ALA A 1 30.008 -2.872 -29.155 1.00 0.00 H new ATOM 0 HA ALA A 1 31.765 -0.578 -29.803 1.00 0.00 H new ATOM 0 HB1 ALA A 1 30.925 -0.893 -32.080 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.819 -2.325 -31.518 1.00 0.00 H new ATOM 0 HB3 ALA A 1 30.040 -2.348 -31.561 1.00 0.00 H new ATOM 11 N GLU A 2 28.486 -0.930 -29.763 1.00 0.00 N ATOM 12 CA GLU A 2 27.242 -0.214 -29.543 1.00 0.00 C ATOM 13 C GLU A 2 26.047 -1.126 -29.825 1.00 0.00 C ATOM 14 O GLU A 2 25.756 -1.433 -30.981 1.00 0.00 O ATOM 15 CB GLU A 2 27.179 1.054 -30.398 1.00 0.00 C ATOM 16 CG GLU A 2 27.280 2.308 -29.530 1.00 0.00 C ATOM 17 CD GLU A 2 28.283 3.303 -30.119 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.017 3.780 -31.243 1.00 0.00 O ATOM 19 OE2 GLU A 2 29.294 3.563 -29.432 1.00 0.00 O ATOM 0 H GLU A 2 28.376 -1.923 -29.970 1.00 0.00 H new ATOM 0 HA GLU A 2 27.202 0.091 -28.497 1.00 0.00 H new ATOM 0 HB2 GLU A 2 27.990 1.046 -31.126 1.00 0.00 H new ATOM 0 HB3 GLU A 2 26.245 1.071 -30.960 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.300 2.779 -29.449 1.00 0.00 H new ATOM 0 HG3 GLU A 2 27.586 2.032 -28.521 1.00 0.00 H new ATOM 26 N GLU A 3 25.387 -1.534 -28.752 1.00 0.00 N ATOM 27 CA GLU A 3 24.230 -2.406 -28.869 1.00 0.00 C ATOM 28 C GLU A 3 23.756 -2.850 -27.483 1.00 0.00 C ATOM 29 O GLU A 3 24.469 -3.563 -26.779 1.00 0.00 O ATOM 30 CB GLU A 3 24.542 -3.613 -29.754 1.00 0.00 C ATOM 31 CG GLU A 3 23.695 -3.592 -31.029 1.00 0.00 C ATOM 32 CD GLU A 3 24.389 -4.351 -32.161 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.638 -4.307 -32.194 1.00 0.00 O ATOM 34 OE2 GLU A 3 23.655 -4.960 -32.970 1.00 0.00 O ATOM 0 H GLU A 3 25.631 -1.277 -27.796 1.00 0.00 H new ATOM 0 HA GLU A 3 23.424 -1.846 -29.344 1.00 0.00 H new ATOM 0 HB2 GLU A 3 25.600 -3.613 -30.016 1.00 0.00 H new ATOM 0 HB3 GLU A 3 24.351 -4.533 -29.201 1.00 0.00 H new ATOM 0 HG2 GLU A 3 22.721 -4.039 -30.830 1.00 0.00 H new ATOM 0 HG3 GLU A 3 23.516 -2.561 -31.334 1.00 0.00 H new ATOM 41 N SER A 4 22.558 -2.410 -27.134 1.00 0.00 N ATOM 42 CA SER A 4 21.980 -2.752 -25.846 1.00 0.00 C ATOM 43 C SER A 4 20.556 -2.201 -25.746 1.00 0.00 C ATOM 44 O SER A 4 20.237 -1.183 -26.358 1.00 0.00 O ATOM 45 CB SER A 4 22.838 -2.217 -24.698 1.00 0.00 C ATOM 46 OG SER A 4 22.876 -0.793 -24.679 1.00 0.00 O ATOM 0 H SER A 4 21.970 -1.819 -27.721 1.00 0.00 H new ATOM 0 HA SER A 4 21.948 -3.838 -25.764 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.443 -2.582 -23.750 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.852 -2.606 -24.792 1.00 0.00 H new ATOM 0 HG SER A 4 23.432 -0.491 -23.931 1.00 0.00 H new ATOM 52 N SER A 5 19.739 -2.897 -24.970 1.00 0.00 N ATOM 53 CA SER A 5 18.356 -2.490 -24.783 1.00 0.00 C ATOM 54 C SER A 5 17.607 -2.552 -26.116 1.00 0.00 C ATOM 55 O SER A 5 18.036 -1.954 -27.101 1.00 0.00 O ATOM 56 CB SER A 5 18.273 -1.081 -24.192 1.00 0.00 C ATOM 57 OG SER A 5 17.455 -1.038 -23.025 1.00 0.00 O ATOM 0 H SER A 5 20.008 -3.740 -24.463 1.00 0.00 H new ATOM 0 HA SER A 5 17.888 -3.179 -24.079 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.276 -0.732 -23.945 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.873 -0.397 -24.940 1.00 0.00 H new ATOM 0 HG SER A 5 17.429 -0.122 -22.677 1.00 0.00 H new ATOM 63 N LYS A 6 16.501 -3.280 -26.101 1.00 0.00 N ATOM 64 CA LYS A 6 15.689 -3.429 -27.296 1.00 0.00 C ATOM 65 C LYS A 6 14.306 -3.956 -26.907 1.00 0.00 C ATOM 66 O LYS A 6 14.098 -5.166 -26.827 1.00 0.00 O ATOM 67 CB LYS A 6 16.407 -4.298 -28.330 1.00 0.00 C ATOM 68 CG LYS A 6 16.585 -3.547 -29.652 1.00 0.00 C ATOM 69 CD LYS A 6 17.176 -4.460 -30.728 1.00 0.00 C ATOM 70 CE LYS A 6 17.906 -3.645 -31.797 1.00 0.00 C ATOM 71 NZ LYS A 6 18.151 -4.471 -33.001 1.00 0.00 N ATOM 0 H LYS A 6 16.148 -3.773 -25.281 1.00 0.00 H new ATOM 0 HA LYS A 6 15.540 -2.461 -27.775 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.381 -4.598 -27.944 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.837 -5.211 -28.501 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.622 -3.161 -29.987 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.238 -2.688 -29.501 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.867 -5.168 -30.270 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.381 -5.045 -31.191 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.313 -2.770 -32.063 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.853 -3.280 -31.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.647 -3.903 -33.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.735 -5.293 -32.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.243 -4.799 -33.388 1.00 0.00 H new ATOM 85 N ALA A 7 13.395 -3.022 -26.673 1.00 0.00 N ATOM 86 CA ALA A 7 12.040 -3.377 -26.293 1.00 0.00 C ATOM 87 C ALA A 7 12.082 -4.313 -25.083 1.00 0.00 C ATOM 88 O ALA A 7 12.087 -5.534 -25.238 1.00 0.00 O ATOM 89 CB ALA A 7 11.319 -4.002 -27.490 1.00 0.00 C ATOM 0 H ALA A 7 13.570 -2.019 -26.740 1.00 0.00 H new ATOM 0 HA ALA A 7 11.479 -2.489 -26.003 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.302 -4.268 -27.203 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.289 -3.286 -28.311 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.852 -4.898 -27.809 1.00 0.00 H new ATOM 95 N VAL A 8 12.111 -3.706 -23.906 1.00 0.00 N ATOM 96 CA VAL A 8 12.153 -4.471 -22.670 1.00 0.00 C ATOM 97 C VAL A 8 11.409 -5.793 -22.868 1.00 0.00 C ATOM 98 O VAL A 8 12.015 -6.862 -22.824 1.00 0.00 O ATOM 99 CB VAL A 8 11.591 -3.636 -21.520 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.903 -2.372 -22.043 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.634 -4.463 -20.658 1.00 0.00 C ATOM 0 H VAL A 8 12.106 -2.694 -23.781 1.00 0.00 H new ATOM 0 HA VAL A 8 13.182 -4.714 -22.406 1.00 0.00 H new ATOM 0 HB VAL A 8 12.427 -3.327 -20.892 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.512 -1.797 -21.204 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.623 -1.767 -22.594 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.083 -2.651 -22.704 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.248 -3.845 -19.847 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.805 -4.816 -21.271 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.166 -5.318 -20.241 1.00 0.00 H new ATOM 111 N LYS A 9 10.108 -5.677 -23.085 1.00 0.00 N ATOM 112 CA LYS A 9 9.275 -6.850 -23.290 1.00 0.00 C ATOM 113 C LYS A 9 8.843 -7.407 -21.933 1.00 0.00 C ATOM 114 O LYS A 9 7.672 -7.730 -21.734 1.00 0.00 O ATOM 115 CB LYS A 9 9.995 -7.870 -24.172 1.00 0.00 C ATOM 116 CG LYS A 9 9.027 -8.517 -25.165 1.00 0.00 C ATOM 117 CD LYS A 9 9.740 -9.566 -26.021 1.00 0.00 C ATOM 118 CE LYS A 9 8.972 -9.828 -27.319 1.00 0.00 C ATOM 119 NZ LYS A 9 8.293 -11.143 -27.263 1.00 0.00 N ATOM 0 H LYS A 9 9.609 -4.788 -23.123 1.00 0.00 H new ATOM 0 HA LYS A 9 8.366 -6.582 -23.829 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.804 -7.380 -24.714 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.449 -8.639 -23.548 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.203 -8.983 -24.624 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.594 -7.751 -25.808 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.749 -9.226 -26.254 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.838 -10.494 -25.458 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.237 -9.039 -27.479 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.658 -9.802 -28.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.777 -11.305 -28.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.001 -11.894 -27.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.624 -11.155 -26.467 1.00 0.00 H new ATOM 133 N TYR A 10 9.811 -7.502 -21.033 1.00 0.00 N ATOM 134 CA TYR A 10 9.545 -8.015 -19.699 1.00 0.00 C ATOM 135 C TYR A 10 10.243 -7.165 -18.635 1.00 0.00 C ATOM 136 O TYR A 10 11.439 -6.895 -18.737 1.00 0.00 O ATOM 137 CB TYR A 10 10.126 -9.429 -19.669 1.00 0.00 C ATOM 138 CG TYR A 10 11.095 -9.729 -20.813 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.402 -9.292 -20.745 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.661 -10.437 -21.916 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.313 -9.575 -21.823 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.572 -10.720 -22.994 1.00 0.00 C ATOM 143 CZ TYR A 10 12.854 -10.275 -22.895 1.00 0.00 C ATOM 144 OH TYR A 10 13.714 -10.542 -23.914 1.00 0.00 O ATOM 0 H TYR A 10 10.780 -7.233 -21.201 1.00 0.00 H new ATOM 0 HA TYR A 10 8.476 -7.998 -19.486 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.643 -9.578 -18.721 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.307 -10.148 -19.702 1.00 0.00 H new ATOM 0 HD1 TYR A 10 12.742 -8.737 -19.883 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.638 -10.779 -21.970 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.339 -9.239 -21.781 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.245 -11.273 -23.862 1.00 0.00 H new ATOM 0 HH TYR A 10 13.248 -11.050 -24.611 1.00 0.00 H new ATOM 154 N TYR A 11 9.466 -6.765 -17.639 1.00 0.00 N ATOM 155 CA TYR A 11 9.996 -5.951 -16.558 1.00 0.00 C ATOM 156 C TYR A 11 9.492 -6.448 -15.201 1.00 0.00 C ATOM 157 O TYR A 11 8.601 -7.292 -15.138 1.00 0.00 O ATOM 158 CB TYR A 11 9.466 -4.536 -16.798 1.00 0.00 C ATOM 159 CG TYR A 11 10.513 -3.564 -17.349 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.853 -3.782 -17.101 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.117 -2.472 -18.093 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.838 -2.869 -17.618 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.102 -1.559 -18.612 1.00 0.00 C ATOM 164 CZ TYR A 11 12.414 -1.801 -18.348 1.00 0.00 C ATOM 165 OH TYR A 11 13.345 -0.939 -18.838 1.00 0.00 O ATOM 0 H TYR A 11 8.474 -6.989 -17.558 1.00 0.00 H new ATOM 0 HA TYR A 11 11.085 -5.993 -16.543 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.629 -4.586 -17.495 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.077 -4.141 -15.860 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.162 -4.638 -16.519 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.068 -2.302 -18.286 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.890 -3.028 -17.431 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.806 -0.701 -19.198 1.00 0.00 H new ATOM 0 HH TYR A 11 13.020 -0.019 -18.746 1.00 0.00 H new ATOM 175 N THR A 12 10.086 -5.902 -14.150 1.00 0.00 N ATOM 176 CA THR A 12 9.708 -6.278 -12.799 1.00 0.00 C ATOM 177 C THR A 12 8.925 -5.148 -12.129 1.00 0.00 C ATOM 178 O THR A 12 9.137 -3.976 -12.433 1.00 0.00 O ATOM 179 CB THR A 12 10.981 -6.666 -12.044 1.00 0.00 C ATOM 180 OG1 THR A 12 11.692 -5.439 -11.908 1.00 0.00 O ATOM 181 CG2 THR A 12 11.914 -7.546 -12.879 1.00 0.00 C ATOM 0 H THR A 12 10.826 -5.202 -14.207 1.00 0.00 H new ATOM 0 HA THR A 12 9.038 -7.138 -12.801 1.00 0.00 H new ATOM 0 HB THR A 12 10.712 -7.191 -11.127 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.531 -5.599 -11.427 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.801 -7.792 -12.295 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.396 -8.464 -13.157 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.210 -7.010 -13.781 1.00 0.00 H new ATOM 189 N LEU A 13 8.037 -5.541 -11.227 1.00 0.00 N ATOM 190 CA LEU A 13 7.220 -4.574 -10.511 1.00 0.00 C ATOM 191 C LEU A 13 8.103 -3.417 -10.039 1.00 0.00 C ATOM 192 O LEU A 13 7.683 -2.261 -10.066 1.00 0.00 O ATOM 193 CB LEU A 13 6.448 -5.258 -9.383 1.00 0.00 C ATOM 194 CG LEU A 13 4.981 -5.585 -9.675 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.223 -5.903 -8.385 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.316 -4.456 -10.466 1.00 0.00 C ATOM 0 H LEU A 13 7.865 -6.514 -10.976 1.00 0.00 H new ATOM 0 HA LEU A 13 6.464 -4.149 -11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.962 -6.185 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.488 -4.618 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 13 4.947 -6.479 -10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.184 -6.132 -8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.682 -6.762 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.263 -5.042 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.275 -4.713 -10.661 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.360 -3.532 -9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.839 -4.318 -11.412 1.00 0.00 H new ATOM 208 N GLU A 14 9.309 -3.769 -9.620 1.00 0.00 N ATOM 209 CA GLU A 14 10.255 -2.774 -9.142 1.00 0.00 C ATOM 210 C GLU A 14 10.643 -1.824 -10.278 1.00 0.00 C ATOM 211 O GLU A 14 10.551 -0.606 -10.132 1.00 0.00 O ATOM 212 CB GLU A 14 11.491 -3.439 -8.538 1.00 0.00 C ATOM 213 CG GLU A 14 11.628 -3.096 -7.052 1.00 0.00 C ATOM 214 CD GLU A 14 10.773 -4.030 -6.193 1.00 0.00 C ATOM 215 OE1 GLU A 14 9.535 -3.979 -6.359 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.376 -4.772 -5.389 1.00 0.00 O ATOM 0 H GLU A 14 9.653 -4.729 -9.601 1.00 0.00 H new ATOM 0 HA GLU A 14 9.775 -2.192 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.423 -4.520 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.382 -3.113 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.673 -3.175 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.325 -2.063 -6.884 1.00 0.00 H new ATOM 223 N GLU A 15 11.069 -2.417 -11.384 1.00 0.00 N ATOM 224 CA GLU A 15 11.473 -1.640 -12.542 1.00 0.00 C ATOM 225 C GLU A 15 10.376 -0.639 -12.917 1.00 0.00 C ATOM 226 O GLU A 15 10.668 0.495 -13.295 1.00 0.00 O ATOM 227 CB GLU A 15 11.810 -2.550 -13.725 1.00 0.00 C ATOM 228 CG GLU A 15 12.413 -1.749 -14.880 1.00 0.00 C ATOM 229 CD GLU A 15 13.847 -2.199 -15.170 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.089 -3.421 -15.063 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.667 -1.312 -15.490 1.00 0.00 O ATOM 0 H GLU A 15 11.143 -3.427 -11.502 1.00 0.00 H new ATOM 0 HA GLU A 15 12.375 -1.085 -12.285 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.512 -3.321 -13.407 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.908 -3.061 -14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.801 -1.875 -15.773 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.404 -0.687 -14.635 1.00 0.00 H new ATOM 238 N ILE A 16 9.138 -1.095 -12.800 1.00 0.00 N ATOM 239 CA ILE A 16 7.997 -0.254 -13.122 1.00 0.00 C ATOM 240 C ILE A 16 7.765 0.740 -11.983 1.00 0.00 C ATOM 241 O ILE A 16 7.355 1.876 -12.219 1.00 0.00 O ATOM 242 CB ILE A 16 6.774 -1.114 -13.448 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.159 -2.309 -14.322 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.666 -0.271 -14.086 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.529 -3.599 -13.795 1.00 0.00 C ATOM 0 H ILE A 16 8.899 -2.036 -12.487 1.00 0.00 H new ATOM 0 HA ILE A 16 8.195 0.331 -14.020 1.00 0.00 H new ATOM 0 HB ILE A 16 6.379 -1.513 -12.514 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.834 -2.134 -15.347 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.244 -2.413 -14.345 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.808 -0.906 -14.308 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.365 0.517 -13.396 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.035 0.176 -15.009 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.819 -4.433 -14.434 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.875 -3.784 -12.778 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.443 -3.501 -13.796 1.00 0.00 H new ATOM 257 N GLN A 17 8.036 0.278 -10.772 1.00 0.00 N ATOM 258 CA GLN A 17 7.861 1.111 -9.595 1.00 0.00 C ATOM 259 C GLN A 17 8.813 2.310 -9.647 1.00 0.00 C ATOM 260 O GLN A 17 8.488 3.387 -9.152 1.00 0.00 O ATOM 261 CB GLN A 17 8.068 0.303 -8.313 1.00 0.00 C ATOM 262 CG GLN A 17 7.166 0.817 -7.189 1.00 0.00 C ATOM 263 CD GLN A 17 7.981 1.563 -6.129 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.918 1.039 -5.550 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.572 2.809 -5.912 1.00 0.00 N ATOM 0 H GLN A 17 8.376 -0.664 -10.580 1.00 0.00 H new ATOM 0 HA GLN A 17 6.837 1.484 -9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.854 -0.749 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.111 0.365 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.406 1.480 -7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.642 -0.020 -6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.779 3.184 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.051 3.390 -5.224 1.00 0.00 H new ATOM 274 N LYS A 18 9.969 2.079 -10.252 1.00 0.00 N ATOM 275 CA LYS A 18 10.970 3.125 -10.375 1.00 0.00 C ATOM 276 C LYS A 18 10.491 4.167 -11.388 1.00 0.00 C ATOM 277 O LYS A 18 10.841 5.341 -11.289 1.00 0.00 O ATOM 278 CB LYS A 18 12.335 2.523 -10.710 1.00 0.00 C ATOM 279 CG LYS A 18 12.737 1.464 -9.681 1.00 0.00 C ATOM 280 CD LYS A 18 13.418 2.106 -8.472 1.00 0.00 C ATOM 281 CE LYS A 18 14.657 2.895 -8.894 1.00 0.00 C ATOM 282 NZ LYS A 18 14.404 4.350 -8.796 1.00 0.00 N ATOM 0 H LYS A 18 10.235 1.184 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 18 11.100 3.642 -9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.305 2.076 -11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.087 3.312 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.854 0.914 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.411 0.742 -10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.717 2.768 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.701 1.333 -7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.501 2.623 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.930 2.635 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.024 4.856 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.410 4.546 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.600 4.672 -7.827 1.00 0.00 H new ATOM 296 N HIS A 19 9.697 3.697 -12.340 1.00 0.00 N ATOM 297 CA HIS A 19 9.168 4.574 -13.371 1.00 0.00 C ATOM 298 C HIS A 19 7.782 5.076 -12.955 1.00 0.00 C ATOM 299 O HIS A 19 6.773 4.435 -13.245 1.00 0.00 O ATOM 300 CB HIS A 19 9.159 3.872 -14.731 1.00 0.00 C ATOM 301 CG HIS A 19 10.512 3.818 -15.401 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.813 4.548 -16.538 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.636 3.116 -15.084 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.066 4.289 -16.881 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.575 3.401 -15.980 1.00 0.00 N ATOM 0 H HIS A 19 9.408 2.722 -12.419 1.00 0.00 H new ATOM 0 HA HIS A 19 9.816 5.444 -13.481 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.788 2.855 -14.602 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.459 4.386 -15.389 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.745 2.442 -14.247 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.592 4.708 -17.726 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.521 3.019 -15.992 1.00 0.00 H new ATOM 314 N ASN A 20 7.780 6.217 -12.281 1.00 0.00 N ATOM 315 CA ASN A 20 6.536 6.812 -11.823 1.00 0.00 C ATOM 316 C ASN A 20 6.614 8.331 -11.982 1.00 0.00 C ATOM 317 O ASN A 20 5.946 9.070 -11.260 1.00 0.00 O ATOM 318 CB ASN A 20 6.290 6.503 -10.344 1.00 0.00 C ATOM 319 CG ASN A 20 5.080 7.275 -9.817 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.143 7.504 -10.732 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 5.002 7.641 -8.656 1.00 0.00 N flip ATOM 0 H ASN A 20 8.619 6.745 -12.041 1.00 0.00 H new ATOM 0 HA ASN A 20 5.723 6.396 -12.419 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.128 5.433 -10.214 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.174 6.764 -9.762 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.758 7.432 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.181 8.156 -8.338 1.00 0.00 H new ATOM 328 N ASN A 21 7.436 8.754 -12.931 1.00 0.00 N ATOM 329 CA ASN A 21 7.610 10.172 -13.194 1.00 0.00 C ATOM 330 C ASN A 21 6.917 10.531 -14.511 1.00 0.00 C ATOM 331 O ASN A 21 6.631 9.654 -15.325 1.00 0.00 O ATOM 332 CB ASN A 21 9.091 10.530 -13.328 1.00 0.00 C ATOM 333 CG ASN A 21 9.879 10.071 -12.099 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.950 10.748 -11.086 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.463 8.886 -12.244 1.00 0.00 N ATOM 0 H ASN A 21 7.989 8.139 -13.528 1.00 0.00 H new ATOM 0 HA ASN A 21 7.179 10.725 -12.359 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.502 10.063 -14.223 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.199 11.608 -13.452 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.011 8.491 -11.480 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.363 8.372 -13.119 1.00 0.00 H new ATOM 342 N SER A 22 6.666 11.820 -14.678 1.00 0.00 N ATOM 343 CA SER A 22 6.012 12.307 -15.881 1.00 0.00 C ATOM 344 C SER A 22 6.927 12.105 -17.092 1.00 0.00 C ATOM 345 O SER A 22 6.515 12.330 -18.229 1.00 0.00 O ATOM 346 CB SER A 22 5.630 13.782 -15.744 1.00 0.00 C ATOM 347 OG SER A 22 6.719 14.574 -15.280 1.00 0.00 O ATOM 0 H SER A 22 6.904 12.544 -14.000 1.00 0.00 H new ATOM 0 HA SER A 22 5.095 11.736 -16.026 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.292 14.160 -16.709 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.792 13.877 -15.053 1.00 0.00 H new ATOM 0 HG SER A 22 6.436 15.509 -15.207 1.00 0.00 H new ATOM 353 N LYS A 23 8.150 11.684 -16.806 1.00 0.00 N ATOM 354 CA LYS A 23 9.125 11.450 -17.856 1.00 0.00 C ATOM 355 C LYS A 23 9.431 9.954 -17.938 1.00 0.00 C ATOM 356 O LYS A 23 10.129 9.507 -18.848 1.00 0.00 O ATOM 357 CB LYS A 23 10.365 12.319 -17.639 1.00 0.00 C ATOM 358 CG LYS A 23 11.308 11.685 -16.613 1.00 0.00 C ATOM 359 CD LYS A 23 12.559 12.542 -16.416 1.00 0.00 C ATOM 360 CE LYS A 23 13.795 11.849 -16.993 1.00 0.00 C ATOM 361 NZ LYS A 23 14.970 12.074 -16.122 1.00 0.00 N ATOM 0 H LYS A 23 8.488 11.499 -15.861 1.00 0.00 H new ATOM 0 HA LYS A 23 8.721 11.747 -18.824 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.889 12.453 -18.585 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.064 13.309 -17.298 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.790 11.567 -15.661 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.595 10.687 -16.945 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.421 13.509 -16.899 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.708 12.735 -15.354 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.607 10.780 -17.091 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.999 12.230 -17.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.800 11.597 -16.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.158 13.094 -16.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.779 11.689 -15.175 1.00 0.00 H new ATOM 375 N SER A 24 8.895 9.218 -16.976 1.00 0.00 N ATOM 376 CA SER A 24 9.101 7.781 -16.927 1.00 0.00 C ATOM 377 C SER A 24 8.005 7.122 -16.087 1.00 0.00 C ATOM 378 O SER A 24 8.284 6.554 -15.032 1.00 0.00 O ATOM 379 CB SER A 24 10.481 7.441 -16.360 1.00 0.00 C ATOM 380 OG SER A 24 11.365 6.952 -17.365 1.00 0.00 O ATOM 0 H SER A 24 8.317 9.591 -16.223 1.00 0.00 H new ATOM 0 HA SER A 24 9.051 7.394 -17.945 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.912 8.329 -15.899 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.376 6.693 -15.574 1.00 0.00 H new ATOM 0 HG SER A 24 11.031 6.096 -17.706 1.00 0.00 H new ATOM 386 N THR A 25 6.781 7.221 -16.586 1.00 0.00 N ATOM 387 CA THR A 25 5.643 6.642 -15.894 1.00 0.00 C ATOM 388 C THR A 25 5.280 5.286 -16.504 1.00 0.00 C ATOM 389 O THR A 25 4.605 5.224 -17.530 1.00 0.00 O ATOM 390 CB THR A 25 4.496 7.654 -15.939 1.00 0.00 C ATOM 391 OG1 THR A 25 4.893 8.581 -16.947 1.00 0.00 O ATOM 392 CG2 THR A 25 4.412 8.500 -14.667 1.00 0.00 C ATOM 0 H THR A 25 6.553 7.693 -17.461 1.00 0.00 H new ATOM 0 HA THR A 25 5.878 6.441 -14.849 1.00 0.00 H new ATOM 0 HB THR A 25 3.553 7.129 -16.088 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.487 9.255 -16.556 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.582 9.201 -14.751 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.252 7.849 -13.807 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.342 9.053 -14.536 1.00 0.00 H new ATOM 400 N TRP A 26 5.745 4.234 -15.847 1.00 0.00 N ATOM 401 CA TRP A 26 5.480 2.884 -16.313 1.00 0.00 C ATOM 402 C TRP A 26 4.488 2.236 -15.343 1.00 0.00 C ATOM 403 O TRP A 26 4.592 2.418 -14.131 1.00 0.00 O ATOM 404 CB TRP A 26 6.777 2.088 -16.460 1.00 0.00 C ATOM 405 CG TRP A 26 7.801 2.735 -17.395 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.649 3.829 -18.155 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.149 2.281 -17.641 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.796 4.112 -18.869 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.736 3.141 -18.547 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.848 1.181 -17.115 1.00 0.00 C ATOM 411 CZ2 TRP A 26 11.050 2.990 -19.005 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.160 1.044 -17.584 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.766 1.900 -18.495 1.00 0.00 C ATOM 0 H TRP A 26 6.304 4.289 -14.995 1.00 0.00 H new ATOM 0 HA TRP A 26 5.036 2.901 -17.308 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.228 1.962 -15.476 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.540 1.091 -16.832 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.743 4.415 -18.203 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.929 4.891 -19.514 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.408 0.496 -16.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.488 3.677 -19.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 11.742 0.214 -17.211 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.785 1.726 -18.808 1.00 0.00 H new ATOM 424 N LEU A 27 3.550 1.495 -15.913 1.00 0.00 N ATOM 425 CA LEU A 27 2.541 0.819 -15.115 1.00 0.00 C ATOM 426 C LEU A 27 2.231 -0.544 -15.738 1.00 0.00 C ATOM 427 O LEU A 27 2.739 -0.870 -16.809 1.00 0.00 O ATOM 428 CB LEU A 27 1.310 1.711 -14.941 1.00 0.00 C ATOM 429 CG LEU A 27 0.280 1.659 -16.072 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.964 1.716 -17.440 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.624 0.434 -15.934 1.00 0.00 C ATOM 0 H LEU A 27 3.467 1.348 -16.919 1.00 0.00 H new ATOM 0 HA LEU A 27 2.915 0.631 -14.108 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.814 1.434 -14.011 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.646 2.742 -14.829 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.357 2.540 -15.994 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.210 1.677 -18.226 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.530 2.644 -17.525 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.640 0.868 -17.544 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.347 0.421 -16.750 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.018 -0.471 -15.972 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.153 0.477 -14.982 1.00 0.00 H new ATOM 443 N ILE A 28 1.400 -1.302 -15.038 1.00 0.00 N ATOM 444 CA ILE A 28 1.017 -2.622 -15.510 1.00 0.00 C ATOM 445 C ILE A 28 -0.466 -2.614 -15.884 1.00 0.00 C ATOM 446 O ILE A 28 -1.296 -2.097 -15.137 1.00 0.00 O ATOM 447 CB ILE A 28 1.385 -3.688 -14.475 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.430 -3.160 -13.491 1.00 0.00 C ATOM 449 CG2 ILE A 28 1.841 -4.979 -15.158 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.832 -3.208 -14.101 1.00 0.00 C ATOM 0 H ILE A 28 0.982 -1.028 -14.149 1.00 0.00 H new ATOM 0 HA ILE A 28 1.572 -2.881 -16.412 1.00 0.00 H new ATOM 0 HB ILE A 28 0.492 -3.927 -13.897 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.186 -2.135 -13.212 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.407 -3.754 -12.577 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.097 -5.720 -14.401 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.036 -5.363 -15.785 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.716 -4.775 -15.776 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.556 -2.827 -13.380 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.082 -4.238 -14.357 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.858 -2.594 -15.001 1.00 0.00 H new ATOM 462 N LEU A 29 -0.755 -3.195 -17.040 1.00 0.00 N ATOM 463 CA LEU A 29 -2.125 -3.261 -17.522 1.00 0.00 C ATOM 464 C LEU A 29 -2.425 -4.684 -17.997 1.00 0.00 C ATOM 465 O LEU A 29 -1.834 -5.156 -18.967 1.00 0.00 O ATOM 466 CB LEU A 29 -2.370 -2.192 -18.589 1.00 0.00 C ATOM 467 CG LEU A 29 -3.478 -1.183 -18.284 1.00 0.00 C ATOM 468 CD1 LEU A 29 -3.999 -0.536 -19.570 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.603 -1.831 -17.474 1.00 0.00 C ATOM 0 H LEU A 29 -0.065 -3.624 -17.656 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.824 -3.039 -16.716 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.441 -1.645 -18.747 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.609 -2.692 -19.528 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.055 -0.388 -17.670 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.786 0.177 -19.325 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.183 -0.017 -20.073 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.400 -1.307 -20.229 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.378 -1.092 -17.271 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.030 -2.658 -18.042 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.203 -2.206 -16.532 1.00 0.00 H new ATOM 481 N HIS A 30 -3.344 -5.328 -17.293 1.00 0.00 N ATOM 482 CA HIS A 30 -3.729 -6.687 -17.630 1.00 0.00 C ATOM 483 C HIS A 30 -2.590 -7.646 -17.279 1.00 0.00 C ATOM 484 O HIS A 30 -2.778 -8.580 -16.502 1.00 0.00 O ATOM 485 CB HIS A 30 -4.156 -6.782 -19.096 1.00 0.00 C ATOM 486 CG HIS A 30 -4.556 -5.461 -19.707 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.718 -4.735 -20.536 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.710 -4.742 -19.602 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.350 -3.631 -20.907 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.585 -3.638 -20.326 1.00 0.00 N ATOM 0 H HIS A 30 -3.833 -4.933 -16.490 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.597 -6.980 -17.040 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.336 -7.205 -19.676 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.993 -7.475 -19.175 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -2.774 -5.004 -20.814 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.579 -5.024 -19.026 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.957 -2.861 -21.555 1.00 0.00 H new ATOM 499 N TYR A 31 -1.434 -7.381 -17.870 1.00 0.00 N ATOM 500 CA TYR A 31 -0.264 -8.208 -17.630 1.00 0.00 C ATOM 501 C TYR A 31 0.947 -7.683 -18.403 1.00 0.00 C ATOM 502 O TYR A 31 1.991 -8.331 -18.441 1.00 0.00 O ATOM 503 CB TYR A 31 -0.621 -9.603 -18.150 1.00 0.00 C ATOM 504 CG TYR A 31 -1.039 -9.631 -19.620 1.00 0.00 C ATOM 505 CD1 TYR A 31 -2.349 -9.367 -19.969 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.109 -9.919 -20.598 1.00 0.00 C ATOM 507 CE1 TYR A 31 -2.744 -9.394 -21.353 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.504 -9.945 -21.981 1.00 0.00 C ATOM 509 CZ TYR A 31 -1.802 -9.681 -22.291 1.00 0.00 C ATOM 510 OH TYR A 31 -2.174 -9.706 -23.600 1.00 0.00 O ATOM 0 H TYR A 31 -1.283 -6.605 -18.515 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.005 -8.209 -16.571 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.238 -10.261 -18.015 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.432 -10.009 -17.545 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.077 -9.140 -19.204 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.915 -10.125 -20.325 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.765 -9.191 -21.640 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.214 -10.169 -22.756 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.397 -9.924 -24.157 1.00 0.00 H new ATOM 520 N LYS A 32 0.766 -6.515 -19.000 1.00 0.00 N ATOM 521 CA LYS A 32 1.832 -5.895 -19.771 1.00 0.00 C ATOM 522 C LYS A 32 2.211 -4.561 -19.125 1.00 0.00 C ATOM 523 O LYS A 32 1.489 -4.053 -18.268 1.00 0.00 O ATOM 524 CB LYS A 32 1.427 -5.775 -21.241 1.00 0.00 C ATOM 525 CG LYS A 32 1.003 -7.131 -21.806 1.00 0.00 C ATOM 526 CD LYS A 32 0.157 -6.958 -23.070 1.00 0.00 C ATOM 527 CE LYS A 32 1.034 -6.997 -24.325 1.00 0.00 C ATOM 528 NZ LYS A 32 0.274 -6.520 -25.502 1.00 0.00 N ATOM 0 H LYS A 32 -0.102 -5.981 -18.966 1.00 0.00 H new ATOM 0 HA LYS A 32 2.725 -6.519 -19.761 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.607 -5.064 -21.339 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.262 -5.381 -21.821 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.887 -7.726 -22.034 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.434 -7.680 -21.056 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.593 -7.747 -23.121 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.380 -6.010 -23.026 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.917 -6.375 -24.178 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.385 -8.014 -24.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.919 -6.407 -26.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.464 -7.212 -25.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.168 -5.605 -25.282 1.00 0.00 H new ATOM 542 N VAL A 33 3.343 -4.029 -19.563 1.00 0.00 N ATOM 543 CA VAL A 33 3.828 -2.763 -19.039 1.00 0.00 C ATOM 544 C VAL A 33 3.739 -1.697 -20.132 1.00 0.00 C ATOM 545 O VAL A 33 4.204 -1.909 -21.251 1.00 0.00 O ATOM 546 CB VAL A 33 5.244 -2.936 -18.485 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.587 -1.814 -17.503 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.415 -4.308 -17.832 1.00 0.00 C ATOM 0 H VAL A 33 3.938 -4.452 -20.275 1.00 0.00 H new ATOM 0 HA VAL A 33 3.207 -2.429 -18.208 1.00 0.00 H new ATOM 0 HB VAL A 33 5.941 -2.876 -19.321 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.598 -1.959 -17.123 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.526 -0.853 -18.013 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.882 -1.829 -16.672 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.430 -4.404 -17.447 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.705 -4.412 -17.012 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.232 -5.088 -18.571 1.00 0.00 H new ATOM 558 N TYR A 34 3.137 -0.573 -19.770 1.00 0.00 N ATOM 559 CA TYR A 34 2.981 0.527 -20.706 1.00 0.00 C ATOM 560 C TYR A 34 3.582 1.816 -20.142 1.00 0.00 C ATOM 561 O TYR A 34 3.615 2.011 -18.928 1.00 0.00 O ATOM 562 CB TYR A 34 1.473 0.717 -20.883 1.00 0.00 C ATOM 563 CG TYR A 34 0.703 -0.585 -21.113 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.614 -1.521 -20.103 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.099 -0.823 -22.331 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.109 -2.746 -20.319 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.625 -2.050 -22.546 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.693 -2.950 -21.530 1.00 0.00 C ATOM 569 OH TYR A 34 -1.377 -4.108 -21.735 1.00 0.00 O ATOM 0 H TYR A 34 2.752 -0.401 -18.841 1.00 0.00 H new ATOM 0 HA TYR A 34 3.489 0.308 -21.645 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.073 1.212 -19.998 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.298 1.384 -21.727 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.087 -1.334 -19.150 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.169 -0.091 -23.122 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.186 -3.487 -19.537 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.103 -2.250 -23.494 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.741 -4.116 -22.645 1.00 0.00 H new ATOM 579 N ASP A 35 4.042 2.663 -21.050 1.00 0.00 N ATOM 580 CA ASP A 35 4.641 3.928 -20.659 1.00 0.00 C ATOM 581 C ASP A 35 3.574 5.024 -20.688 1.00 0.00 C ATOM 582 O ASP A 35 3.358 5.657 -21.720 1.00 0.00 O ATOM 583 CB ASP A 35 5.759 4.330 -21.623 1.00 0.00 C ATOM 584 CG ASP A 35 7.150 4.433 -20.994 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.440 5.510 -20.432 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.892 3.431 -21.092 1.00 0.00 O ATOM 0 H ASP A 35 4.012 2.498 -22.056 1.00 0.00 H new ATOM 0 HA ASP A 35 5.054 3.809 -19.657 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.797 3.604 -22.435 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.506 5.292 -22.068 1.00 0.00 H new ATOM 591 N LEU A 36 2.933 5.213 -19.544 1.00 0.00 N ATOM 592 CA LEU A 36 1.894 6.221 -19.426 1.00 0.00 C ATOM 593 C LEU A 36 2.430 7.562 -19.930 1.00 0.00 C ATOM 594 O LEU A 36 1.664 8.410 -20.384 1.00 0.00 O ATOM 595 CB LEU A 36 1.357 6.272 -17.994 1.00 0.00 C ATOM 596 CG LEU A 36 0.616 5.024 -17.510 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.022 5.261 -16.141 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.409 4.559 -18.547 1.00 0.00 C ATOM 0 H LEU A 36 3.113 4.685 -18.690 1.00 0.00 H new ATOM 0 HA LEU A 36 1.040 5.963 -20.053 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.193 6.458 -17.320 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.684 7.125 -17.910 1.00 0.00 H new ATOM 0 HG LEU A 36 1.343 4.220 -17.391 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.542 4.358 -15.821 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.753 5.509 -15.416 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.733 6.085 -16.209 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.922 3.671 -18.179 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.136 5.352 -18.721 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.100 4.323 -19.481 1.00 0.00 H new ATOM 610 N THR A 37 3.742 7.712 -19.836 1.00 0.00 N ATOM 611 CA THR A 37 4.391 8.936 -20.275 1.00 0.00 C ATOM 612 C THR A 37 3.741 9.450 -21.561 1.00 0.00 C ATOM 613 O THR A 37 3.679 10.657 -21.789 1.00 0.00 O ATOM 614 CB THR A 37 5.887 8.651 -20.423 1.00 0.00 C ATOM 615 OG1 THR A 37 6.337 8.455 -19.085 1.00 0.00 O ATOM 616 CG2 THR A 37 6.670 9.873 -20.905 1.00 0.00 C ATOM 0 H THR A 37 4.375 7.005 -19.462 1.00 0.00 H new ATOM 0 HA THR A 37 4.269 9.734 -19.543 1.00 0.00 H new ATOM 0 HB THR A 37 6.033 7.828 -21.122 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.706 8.875 -18.463 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.726 9.617 -20.993 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.291 10.188 -21.877 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.552 10.686 -20.189 1.00 0.00 H new ATOM 624 N LYS A 38 3.271 8.509 -22.367 1.00 0.00 N ATOM 625 CA LYS A 38 2.627 8.853 -23.623 1.00 0.00 C ATOM 626 C LYS A 38 1.215 9.371 -23.342 1.00 0.00 C ATOM 627 O LYS A 38 0.845 10.454 -23.794 1.00 0.00 O ATOM 628 CB LYS A 38 2.665 7.665 -24.587 1.00 0.00 C ATOM 629 CG LYS A 38 1.675 7.860 -25.737 1.00 0.00 C ATOM 630 CD LYS A 38 0.558 6.815 -25.681 1.00 0.00 C ATOM 631 CE LYS A 38 -0.818 7.477 -25.784 1.00 0.00 C ATOM 632 NZ LYS A 38 -1.343 7.368 -27.162 1.00 0.00 N ATOM 0 H LYS A 38 3.323 7.509 -22.174 1.00 0.00 H new ATOM 0 HA LYS A 38 3.169 9.657 -24.121 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.673 7.548 -24.986 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.427 6.748 -24.049 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.245 8.860 -25.686 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.199 7.787 -26.690 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.683 6.100 -26.494 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.627 6.254 -24.749 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.509 7.003 -25.087 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.746 8.526 -25.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.160 8.002 -27.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.601 7.638 -27.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.638 6.388 -27.345 1.00 0.00 H new ATOM 646 N PHE A 39 0.463 8.575 -22.597 1.00 0.00 N ATOM 647 CA PHE A 39 -0.901 8.938 -22.251 1.00 0.00 C ATOM 648 C PHE A 39 -0.947 9.679 -20.913 1.00 0.00 C ATOM 649 O PHE A 39 -1.590 9.223 -19.968 1.00 0.00 O ATOM 650 CB PHE A 39 -1.695 7.637 -22.127 1.00 0.00 C ATOM 651 CG PHE A 39 -3.133 7.735 -22.638 1.00 0.00 C ATOM 652 CD1 PHE A 39 -3.400 8.390 -23.799 1.00 0.00 C ATOM 653 CD2 PHE A 39 -4.146 7.165 -21.930 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.736 8.481 -24.273 1.00 0.00 C ATOM 655 CE2 PHE A 39 -5.481 7.256 -22.405 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.747 7.912 -23.566 1.00 0.00 C ATOM 0 H PHE A 39 0.773 7.678 -22.223 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.316 9.595 -23.016 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.177 6.853 -22.679 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.712 7.332 -21.081 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.596 8.841 -24.361 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.935 6.644 -21.008 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.948 9.002 -25.195 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.286 6.804 -21.844 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.763 7.981 -23.926 1.00 0.00 H new ATOM 666 N LEU A 40 -0.256 10.809 -20.873 1.00 0.00 N ATOM 667 CA LEU A 40 -0.211 11.617 -19.667 1.00 0.00 C ATOM 668 C LEU A 40 -1.095 12.852 -19.852 1.00 0.00 C ATOM 669 O LEU A 40 -1.943 13.144 -19.010 1.00 0.00 O ATOM 670 CB LEU A 40 1.237 11.947 -19.298 1.00 0.00 C ATOM 671 CG LEU A 40 1.526 12.122 -17.806 1.00 0.00 C ATOM 672 CD1 LEU A 40 0.687 11.155 -16.967 1.00 0.00 C ATOM 673 CD2 LEU A 40 3.021 11.984 -17.516 1.00 0.00 C ATOM 0 H LEU A 40 0.278 11.184 -21.657 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.613 11.061 -18.820 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.879 11.154 -19.681 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.522 12.864 -19.813 1.00 0.00 H new ATOM 0 HG LEU A 40 1.235 13.133 -17.519 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.912 11.301 -15.910 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.372 11.346 -17.142 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.923 10.129 -17.250 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.198 12.113 -16.448 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.362 10.995 -17.824 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.571 12.745 -18.069 1.00 0.00 H new ATOM 685 N GLU A 41 -0.866 13.545 -20.958 1.00 0.00 N ATOM 686 CA GLU A 41 -1.632 14.741 -21.264 1.00 0.00 C ATOM 687 C GLU A 41 -3.060 14.368 -21.669 1.00 0.00 C ATOM 688 O GLU A 41 -3.963 15.201 -21.608 1.00 0.00 O ATOM 689 CB GLU A 41 -0.949 15.564 -22.357 1.00 0.00 C ATOM 690 CG GLU A 41 -1.256 17.054 -22.193 1.00 0.00 C ATOM 691 CD GLU A 41 -0.367 17.901 -23.107 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.865 17.854 -22.903 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.940 18.575 -23.989 1.00 0.00 O ATOM 0 H GLU A 41 -0.161 13.301 -21.653 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.680 15.358 -20.367 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.129 15.404 -22.318 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.286 15.225 -23.337 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.305 17.241 -22.425 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.102 17.349 -21.155 1.00 0.00 H new ATOM 700 N GLU A 42 -3.219 13.117 -22.073 1.00 0.00 N ATOM 701 CA GLU A 42 -4.521 12.624 -22.489 1.00 0.00 C ATOM 702 C GLU A 42 -5.242 11.970 -21.309 1.00 0.00 C ATOM 703 O GLU A 42 -4.815 12.105 -20.163 1.00 0.00 O ATOM 704 CB GLU A 42 -4.389 11.648 -23.660 1.00 0.00 C ATOM 705 CG GLU A 42 -5.222 12.113 -24.857 1.00 0.00 C ATOM 706 CD GLU A 42 -4.397 12.077 -26.145 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.173 12.306 -26.042 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.010 11.822 -27.205 1.00 0.00 O ATOM 0 H GLU A 42 -2.467 12.429 -22.121 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.117 13.471 -22.830 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.342 11.563 -23.952 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.715 10.655 -23.349 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.099 11.475 -24.964 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.585 13.126 -24.681 1.00 0.00 H new ATOM 715 N HIS A 43 -6.324 11.275 -21.629 1.00 0.00 N ATOM 716 CA HIS A 43 -7.108 10.599 -20.609 1.00 0.00 C ATOM 717 C HIS A 43 -8.137 11.570 -20.027 1.00 0.00 C ATOM 718 O HIS A 43 -7.793 12.687 -19.640 1.00 0.00 O ATOM 719 CB HIS A 43 -6.199 9.988 -19.541 1.00 0.00 C ATOM 720 CG HIS A 43 -6.857 8.898 -18.728 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.799 9.158 -17.748 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.698 7.544 -18.758 1.00 0.00 C ATOM 723 CE1 HIS A 43 -8.182 8.006 -17.219 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.498 7.007 -17.845 1.00 0.00 N ATOM 0 H HIS A 43 -6.676 11.165 -22.580 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.655 9.768 -21.056 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.310 9.582 -20.024 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.864 10.777 -18.868 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.140 10.081 -17.479 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.034 7.001 -19.414 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.909 7.880 -16.430 1.00 0.00 H new ATOM 733 N PRO A 44 -9.412 11.098 -19.981 1.00 0.00 N ATOM 734 CA PRO A 44 -10.493 11.912 -19.452 1.00 0.00 C ATOM 735 C PRO A 44 -10.427 11.985 -17.925 1.00 0.00 C ATOM 736 O PRO A 44 -11.203 11.324 -17.234 1.00 0.00 O ATOM 737 CB PRO A 44 -11.766 11.254 -19.961 1.00 0.00 C ATOM 738 CG PRO A 44 -11.372 9.843 -20.365 1.00 0.00 C ATOM 739 CD PRO A 44 -9.854 9.781 -20.429 1.00 0.00 C ATOM 0 HA PRO A 44 -10.438 12.950 -19.780 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.534 11.239 -19.188 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.177 11.803 -20.808 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.753 9.119 -19.644 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.805 9.588 -21.332 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.462 8.992 -19.787 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.508 9.570 -21.441 1.00 0.00 H new ATOM 747 N GLY A 45 -9.495 12.792 -17.442 1.00 0.00 N ATOM 748 CA GLY A 45 -9.320 12.960 -16.009 1.00 0.00 C ATOM 749 C GLY A 45 -8.124 13.865 -15.706 1.00 0.00 C ATOM 750 O GLY A 45 -8.297 15.011 -15.295 1.00 0.00 O ATOM 0 H GLY A 45 -8.853 13.337 -18.017 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.224 13.389 -15.576 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.173 11.987 -15.540 1.00 0.00 H new ATOM 754 N GLY A 46 -6.938 13.316 -15.920 1.00 0.00 N ATOM 755 CA GLY A 46 -5.713 14.060 -15.675 1.00 0.00 C ATOM 756 C GLY A 46 -4.501 13.127 -15.643 1.00 0.00 C ATOM 757 O GLY A 46 -4.624 11.957 -15.281 1.00 0.00 O ATOM 0 H GLY A 46 -6.798 12.365 -16.260 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.578 14.811 -16.453 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.791 14.593 -14.728 1.00 0.00 H new ATOM 761 N GLU A 47 -3.359 13.678 -16.025 1.00 0.00 N ATOM 762 CA GLU A 47 -2.127 12.910 -16.044 1.00 0.00 C ATOM 763 C GLU A 47 -2.085 11.943 -14.860 1.00 0.00 C ATOM 764 O GLU A 47 -1.792 10.761 -15.029 1.00 0.00 O ATOM 765 CB GLU A 47 -0.906 13.831 -16.042 1.00 0.00 C ATOM 766 CG GLU A 47 -0.886 14.718 -17.289 1.00 0.00 C ATOM 767 CD GLU A 47 -0.288 16.092 -16.977 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.011 16.894 -16.348 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.878 16.307 -17.374 1.00 0.00 O ATOM 0 H GLU A 47 -3.261 14.648 -16.324 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.100 12.327 -16.965 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.918 14.455 -15.148 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.005 13.233 -16.002 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.305 14.234 -18.074 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.900 14.837 -17.671 1.00 0.00 H new ATOM 776 N GLU A 48 -2.384 12.481 -13.686 1.00 0.00 N ATOM 777 CA GLU A 48 -2.383 11.682 -12.474 1.00 0.00 C ATOM 778 C GLU A 48 -3.128 10.364 -12.706 1.00 0.00 C ATOM 779 O GLU A 48 -2.622 9.294 -12.373 1.00 0.00 O ATOM 780 CB GLU A 48 -2.994 12.457 -11.305 1.00 0.00 C ATOM 781 CG GLU A 48 -2.099 12.379 -10.068 1.00 0.00 C ATOM 782 CD GLU A 48 -1.799 13.777 -9.520 1.00 0.00 C ATOM 783 OE1 GLU A 48 -2.778 14.471 -9.169 1.00 0.00 O ATOM 784 OE2 GLU A 48 -0.598 14.119 -9.463 1.00 0.00 O ATOM 0 H GLU A 48 -2.629 13.462 -13.550 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.349 11.453 -12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.136 13.499 -11.590 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.979 12.053 -11.072 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.586 11.780 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.166 11.875 -10.321 1.00 0.00 H new ATOM 791 N VAL A 49 -4.317 10.488 -13.279 1.00 0.00 N ATOM 792 CA VAL A 49 -5.134 9.321 -13.559 1.00 0.00 C ATOM 793 C VAL A 49 -4.232 8.160 -13.984 1.00 0.00 C ATOM 794 O VAL A 49 -4.546 6.999 -13.726 1.00 0.00 O ATOM 795 CB VAL A 49 -6.196 9.666 -14.606 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.573 9.787 -15.999 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.328 8.637 -14.601 1.00 0.00 C ATOM 0 H VAL A 49 -4.733 11.377 -13.556 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.668 9.006 -12.663 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.622 10.634 -14.343 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.349 10.033 -16.724 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.819 10.574 -15.993 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.107 8.840 -16.273 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.068 8.907 -15.354 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.924 7.650 -14.827 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.800 8.620 -13.619 1.00 0.00 H new ATOM 807 N LEU A 50 -3.130 8.514 -14.628 1.00 0.00 N ATOM 808 CA LEU A 50 -2.179 7.517 -15.090 1.00 0.00 C ATOM 809 C LEU A 50 -0.918 7.581 -14.225 1.00 0.00 C ATOM 810 O LEU A 50 -0.315 6.552 -13.925 1.00 0.00 O ATOM 811 CB LEU A 50 -1.909 7.687 -16.586 1.00 0.00 C ATOM 812 CG LEU A 50 -3.125 7.562 -17.506 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.406 8.881 -18.228 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.955 6.398 -18.485 1.00 0.00 C ATOM 0 H LEU A 50 -2.874 9.478 -14.841 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.592 6.515 -14.977 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.458 8.666 -16.744 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.172 6.944 -16.889 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.997 7.341 -16.890 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.275 8.764 -18.875 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.603 9.663 -17.494 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.540 9.158 -18.830 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.833 6.331 -19.127 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.069 6.564 -19.098 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.841 5.468 -17.928 1.00 0.00 H new ATOM 826 N ARG A 51 -0.559 8.799 -13.850 1.00 0.00 N ATOM 827 CA ARG A 51 0.620 9.011 -13.027 1.00 0.00 C ATOM 828 C ARG A 51 0.409 8.414 -11.634 1.00 0.00 C ATOM 829 O ARG A 51 1.316 7.802 -11.072 1.00 0.00 O ATOM 830 CB ARG A 51 0.937 10.502 -12.891 1.00 0.00 C ATOM 831 CG ARG A 51 2.440 10.756 -13.016 1.00 0.00 C ATOM 832 CD ARG A 51 2.872 11.934 -12.141 1.00 0.00 C ATOM 833 NE ARG A 51 2.879 13.181 -12.937 1.00 0.00 N ATOM 834 CZ ARG A 51 3.054 14.403 -12.417 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.239 14.550 -11.097 1.00 0.00 N ATOM 836 NH2 ARG A 51 3.044 15.478 -13.215 1.00 0.00 N ATOM 0 H ARG A 51 -1.063 9.650 -14.100 1.00 0.00 H new ATOM 0 HA ARG A 51 1.459 8.516 -13.516 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.405 11.062 -13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.582 10.867 -11.927 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.989 9.861 -12.724 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.693 10.960 -14.057 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.193 12.037 -11.295 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.865 11.749 -11.732 1.00 0.00 H new ATOM 0 HE ARG A 51 2.742 13.106 -13.945 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.246 13.731 -10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.372 15.481 -10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.903 15.367 -14.219 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.177 16.408 -12.819 1.00 0.00 H new ATOM 850 N GLU A 52 -0.796 8.612 -11.116 1.00 0.00 N ATOM 851 CA GLU A 52 -1.137 8.100 -9.800 1.00 0.00 C ATOM 852 C GLU A 52 -1.037 6.573 -9.781 1.00 0.00 C ATOM 853 O GLU A 52 -0.964 5.965 -8.715 1.00 0.00 O ATOM 854 CB GLU A 52 -2.533 8.563 -9.378 1.00 0.00 C ATOM 855 CG GLU A 52 -3.606 7.983 -10.301 1.00 0.00 C ATOM 856 CD GLU A 52 -4.539 7.042 -9.534 1.00 0.00 C ATOM 857 OE1 GLU A 52 -4.162 5.858 -9.396 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.608 7.528 -9.104 1.00 0.00 O ATOM 0 H GLU A 52 -1.547 9.120 -11.584 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.423 8.500 -9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.727 8.255 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.580 9.652 -9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.185 8.793 -10.745 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.132 7.443 -11.121 1.00 0.00 H new ATOM 865 N GLN A 53 -1.037 5.997 -10.975 1.00 0.00 N ATOM 866 CA GLN A 53 -0.948 4.553 -11.109 1.00 0.00 C ATOM 867 C GLN A 53 0.458 4.148 -11.555 1.00 0.00 C ATOM 868 O GLN A 53 0.882 3.016 -11.329 1.00 0.00 O ATOM 869 CB GLN A 53 -2.005 4.026 -12.082 1.00 0.00 C ATOM 870 CG GLN A 53 -1.865 4.689 -13.454 1.00 0.00 C ATOM 871 CD GLN A 53 -2.945 4.189 -14.416 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.774 3.213 -15.129 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.062 4.909 -14.398 1.00 0.00 N ATOM 0 H GLN A 53 -1.097 6.504 -11.858 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.143 4.104 -10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.904 2.945 -12.184 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.001 4.217 -11.682 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.939 5.771 -13.348 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.879 4.476 -13.866 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.140 5.714 -13.777 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.842 4.656 -15.005 1.00 0.00 H new ATOM 882 N ALA A 54 1.143 5.095 -12.178 1.00 0.00 N ATOM 883 CA ALA A 54 2.492 4.851 -12.658 1.00 0.00 C ATOM 884 C ALA A 54 3.379 4.438 -11.481 1.00 0.00 C ATOM 885 O ALA A 54 3.460 5.148 -10.481 1.00 0.00 O ATOM 886 CB ALA A 54 3.015 6.099 -13.372 1.00 0.00 C ATOM 0 H ALA A 54 0.789 6.034 -12.362 1.00 0.00 H new ATOM 0 HA ALA A 54 2.500 4.035 -13.381 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.027 5.915 -13.732 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.367 6.334 -14.216 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.024 6.939 -12.677 1.00 0.00 H new ATOM 892 N GLY A 55 4.023 3.291 -11.641 1.00 0.00 N ATOM 893 CA GLY A 55 4.901 2.774 -10.605 1.00 0.00 C ATOM 894 C GLY A 55 4.375 1.447 -10.052 1.00 0.00 C ATOM 895 O GLY A 55 4.808 0.997 -8.993 1.00 0.00 O ATOM 0 H GLY A 55 3.954 2.705 -12.473 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.903 2.632 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.984 3.501 -9.797 1.00 0.00 H new ATOM 899 N GLY A 56 3.451 0.858 -10.796 1.00 0.00 N ATOM 900 CA GLY A 56 2.862 -0.408 -10.393 1.00 0.00 C ATOM 901 C GLY A 56 1.720 -0.804 -11.332 1.00 0.00 C ATOM 902 O GLY A 56 1.443 -0.108 -12.307 1.00 0.00 O ATOM 0 H GLY A 56 3.096 1.233 -11.675 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.626 -1.186 -10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.488 -0.331 -9.372 1.00 0.00 H new ATOM 906 N ASP A 57 1.089 -1.924 -11.005 1.00 0.00 N ATOM 907 CA ASP A 57 -0.016 -2.421 -11.806 1.00 0.00 C ATOM 908 C ASP A 57 -1.250 -1.550 -11.561 1.00 0.00 C ATOM 909 O ASP A 57 -1.650 -1.340 -10.418 1.00 0.00 O ATOM 910 CB ASP A 57 -0.369 -3.859 -11.423 1.00 0.00 C ATOM 911 CG ASP A 57 -1.843 -4.231 -11.599 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.618 -3.936 -10.662 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.162 -4.803 -12.663 1.00 0.00 O ATOM 0 H ASP A 57 1.323 -2.500 -10.196 1.00 0.00 H new ATOM 0 HA ASP A 57 0.285 -2.390 -12.853 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.236 -4.538 -12.024 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.091 -4.021 -10.382 1.00 0.00 H new ATOM 918 N ALA A 58 -1.818 -1.065 -12.656 1.00 0.00 N ATOM 919 CA ALA A 58 -2.998 -0.221 -12.575 1.00 0.00 C ATOM 920 C ALA A 58 -4.233 -1.039 -12.961 1.00 0.00 C ATOM 921 O ALA A 58 -5.362 -0.622 -12.712 1.00 0.00 O ATOM 922 CB ALA A 58 -2.810 1.007 -13.467 1.00 0.00 C ATOM 0 H ALA A 58 -1.483 -1.240 -13.603 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.145 0.136 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.695 1.640 -13.406 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.938 1.569 -13.133 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.662 0.688 -14.499 1.00 0.00 H new ATOM 928 N THR A 59 -3.974 -2.191 -13.563 1.00 0.00 N ATOM 929 CA THR A 59 -5.050 -3.071 -13.986 1.00 0.00 C ATOM 930 C THR A 59 -6.064 -3.257 -12.856 1.00 0.00 C ATOM 931 O THR A 59 -7.270 -3.178 -13.080 1.00 0.00 O ATOM 932 CB THR A 59 -4.426 -4.384 -14.466 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.255 -4.785 -15.553 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.580 -5.512 -13.444 1.00 0.00 C ATOM 0 H THR A 59 -3.036 -2.535 -13.768 1.00 0.00 H new ATOM 0 HA THR A 59 -5.611 -2.639 -14.815 1.00 0.00 H new ATOM 0 HB THR A 59 -3.368 -4.228 -14.678 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.997 -4.152 -15.649 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.121 -6.421 -13.833 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.090 -5.228 -12.512 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.639 -5.692 -13.257 1.00 0.00 H new ATOM 942 N GLU A 60 -5.536 -3.499 -11.666 1.00 0.00 N ATOM 943 CA GLU A 60 -6.380 -3.698 -10.499 1.00 0.00 C ATOM 944 C GLU A 60 -7.426 -2.585 -10.406 1.00 0.00 C ATOM 945 O GLU A 60 -8.512 -2.794 -9.868 1.00 0.00 O ATOM 946 CB GLU A 60 -5.541 -3.768 -9.222 1.00 0.00 C ATOM 947 CG GLU A 60 -5.571 -5.177 -8.625 1.00 0.00 C ATOM 948 CD GLU A 60 -6.213 -5.170 -7.235 1.00 0.00 C ATOM 949 OE1 GLU A 60 -7.462 -5.159 -7.188 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.441 -5.177 -6.253 1.00 0.00 O ATOM 0 H GLU A 60 -4.534 -3.562 -11.484 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.898 -4.651 -10.607 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.512 -3.484 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.920 -3.052 -8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.128 -5.843 -9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.556 -5.570 -8.559 1.00 0.00 H new ATOM 957 N ASN A 61 -7.063 -1.428 -10.940 1.00 0.00 N ATOM 958 CA ASN A 61 -7.956 -0.283 -10.924 1.00 0.00 C ATOM 959 C ASN A 61 -8.676 -0.184 -12.270 1.00 0.00 C ATOM 960 O ASN A 61 -9.904 -0.139 -12.321 1.00 0.00 O ATOM 961 CB ASN A 61 -7.181 1.018 -10.706 1.00 0.00 C ATOM 962 CG ASN A 61 -7.712 1.775 -9.487 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.835 2.251 -9.460 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.843 1.862 -8.484 1.00 0.00 N ATOM 0 H ASN A 61 -6.162 -1.259 -11.387 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.665 -0.421 -10.108 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.123 0.796 -10.568 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.262 1.647 -11.593 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.101 2.350 -7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.918 1.441 -8.572 1.00 0.00 H new ATOM 971 N PHE A 62 -7.881 -0.154 -13.329 1.00 0.00 N ATOM 972 CA PHE A 62 -8.427 -0.063 -14.672 1.00 0.00 C ATOM 973 C PHE A 62 -9.560 -1.071 -14.874 1.00 0.00 C ATOM 974 O PHE A 62 -10.394 -0.904 -15.762 1.00 0.00 O ATOM 975 CB PHE A 62 -7.289 -0.393 -15.642 1.00 0.00 C ATOM 976 CG PHE A 62 -7.629 -1.491 -16.651 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.668 -2.791 -16.254 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.894 -1.166 -17.945 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.983 -3.810 -17.190 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.209 -2.186 -18.882 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.248 -3.486 -18.485 1.00 0.00 C ATOM 0 H PHE A 62 -6.863 -0.191 -13.284 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.830 0.935 -14.841 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.014 0.512 -16.184 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.414 -0.699 -15.069 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.459 -3.048 -15.226 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.865 -0.133 -18.260 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.012 -4.843 -16.875 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.418 -1.929 -19.910 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.489 -4.261 -19.197 1.00 0.00 H new ATOM 991 N GLU A 63 -9.554 -2.096 -14.035 1.00 0.00 N ATOM 992 CA GLU A 63 -10.570 -3.130 -14.109 1.00 0.00 C ATOM 993 C GLU A 63 -11.902 -2.608 -13.567 1.00 0.00 C ATOM 994 O GLU A 63 -12.944 -2.783 -14.193 1.00 0.00 O ATOM 995 CB GLU A 63 -10.129 -4.389 -13.358 1.00 0.00 C ATOM 996 CG GLU A 63 -9.593 -5.445 -14.327 1.00 0.00 C ATOM 997 CD GLU A 63 -10.650 -6.515 -14.612 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.434 -6.298 -15.561 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.647 -7.524 -13.875 1.00 0.00 O ATOM 0 H GLU A 63 -8.860 -2.232 -13.300 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.707 -3.400 -15.156 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.358 -4.132 -12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.971 -4.797 -12.799 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.292 -4.968 -15.260 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.702 -5.912 -13.906 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.823 -1.973 -12.405 1.00 0.00 N ATOM 1007 CA ASP A 64 -13.007 -1.424 -11.770 1.00 0.00 C ATOM 1008 C ASP A 64 -13.618 -0.356 -12.679 1.00 0.00 C ATOM 1009 O ASP A 64 -14.838 -0.276 -12.817 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.661 -0.765 -10.433 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.595 -1.122 -9.276 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.004 -2.301 -9.218 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.880 -0.205 -8.473 1.00 0.00 O ATOM 0 H ASP A 64 -10.956 -1.827 -11.888 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.707 -2.242 -11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.644 -1.046 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.668 0.317 -10.566 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.743 0.440 -13.276 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.180 1.501 -14.168 1.00 0.00 C ATOM 1020 C VAL A 65 -13.570 0.896 -15.518 1.00 0.00 C ATOM 1021 O VAL A 65 -13.991 1.613 -16.424 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.092 2.569 -14.283 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.725 2.005 -13.890 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.056 3.165 -15.692 1.00 0.00 C ATOM 0 H VAL A 65 -11.732 0.371 -13.159 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.063 1.999 -13.767 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.335 3.371 -13.586 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.970 2.786 -13.981 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.760 1.652 -12.859 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.470 1.175 -14.549 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.274 3.922 -15.747 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.849 2.376 -16.415 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.019 3.622 -15.919 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.417 -0.416 -15.610 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.747 -1.125 -16.835 1.00 0.00 C ATOM 1036 C GLY A 66 -13.425 -0.275 -18.064 1.00 0.00 C ATOM 1037 O GLY A 66 -14.280 0.459 -18.557 1.00 0.00 O ATOM 0 H GLY A 66 -13.069 -1.008 -14.856 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.189 -2.061 -16.879 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.806 -1.385 -16.835 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.189 -0.401 -18.524 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.744 0.347 -19.687 1.00 0.00 C ATOM 1043 C HIS A 67 -12.276 -0.316 -20.960 1.00 0.00 C ATOM 1044 O HIS A 67 -12.925 -1.359 -20.895 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.221 0.492 -19.688 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.704 1.561 -18.755 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.482 1.336 -17.408 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.367 2.862 -18.989 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.034 2.457 -16.864 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.964 3.403 -17.846 1.00 0.00 N ATOM 0 H HIS A 67 -11.482 -1.010 -18.112 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.149 1.358 -19.649 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.775 -0.463 -19.411 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.889 0.717 -20.701 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.637 0.455 -16.917 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.419 3.366 -19.943 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.770 2.598 -15.826 1.00 0.00 H new ATOM 1059 N SER A 68 -11.984 0.318 -22.085 1.00 0.00 N ATOM 1060 CA SER A 68 -12.426 -0.197 -23.371 1.00 0.00 C ATOM 1061 C SER A 68 -11.253 -0.849 -24.105 1.00 0.00 C ATOM 1062 O SER A 68 -10.097 -0.512 -23.857 1.00 0.00 O ATOM 1063 CB SER A 68 -13.038 0.914 -24.227 1.00 0.00 C ATOM 1064 OG SER A 68 -12.049 1.622 -24.968 1.00 0.00 O ATOM 0 H SER A 68 -11.447 1.184 -22.134 1.00 0.00 H new ATOM 0 HA SER A 68 -13.196 -0.948 -23.193 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.766 0.483 -24.914 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.578 1.610 -23.585 1.00 0.00 H new ATOM 0 HG SER A 68 -11.822 2.453 -24.500 1.00 0.00 H new ATOM 1070 N THR A 69 -11.593 -1.771 -24.995 1.00 0.00 N ATOM 1071 CA THR A 69 -10.581 -2.473 -25.766 1.00 0.00 C ATOM 1072 C THR A 69 -9.716 -1.478 -26.542 1.00 0.00 C ATOM 1073 O THR A 69 -8.579 -1.783 -26.897 1.00 0.00 O ATOM 1074 CB THR A 69 -11.292 -3.489 -26.662 1.00 0.00 C ATOM 1075 OG1 THR A 69 -11.558 -4.590 -25.797 1.00 0.00 O ATOM 1076 CG2 THR A 69 -10.369 -4.072 -27.734 1.00 0.00 C ATOM 0 H THR A 69 -12.553 -2.047 -25.199 1.00 0.00 H new ATOM 0 HA THR A 69 -9.893 -3.015 -25.117 1.00 0.00 H new ATOM 0 HB THR A 69 -12.148 -3.013 -27.140 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.020 -5.295 -26.297 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.923 -4.787 -28.342 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.996 -3.268 -28.369 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.529 -4.576 -27.256 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.289 -0.307 -26.783 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.585 0.734 -27.511 1.00 0.00 C ATOM 1086 C ASP A 70 -8.485 1.318 -26.621 1.00 0.00 C ATOM 1087 O ASP A 70 -7.334 1.422 -27.039 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.532 1.870 -27.901 1.00 0.00 C ATOM 1089 CG ASP A 70 -9.904 2.971 -28.758 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -8.946 2.643 -29.491 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.396 4.116 -28.663 1.00 0.00 O ATOM 0 H ASP A 70 -11.232 -0.057 -26.487 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.165 0.290 -28.413 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.378 1.447 -28.443 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.929 2.321 -26.991 1.00 0.00 H new ATOM 1096 N ALA A 71 -8.881 1.685 -25.411 1.00 0.00 N ATOM 1097 CA ALA A 71 -7.944 2.255 -24.458 1.00 0.00 C ATOM 1098 C ALA A 71 -6.763 1.300 -24.276 1.00 0.00 C ATOM 1099 O ALA A 71 -5.608 1.710 -24.373 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.667 2.546 -23.142 1.00 0.00 C ATOM 0 H ALA A 71 -9.838 1.599 -25.069 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.548 3.201 -24.828 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.964 2.974 -22.427 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.477 3.253 -23.321 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.076 1.619 -22.739 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.094 0.044 -24.014 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.077 -0.974 -23.816 1.00 0.00 C ATOM 1108 C ARG A 72 -5.174 -1.066 -25.047 1.00 0.00 C ATOM 1109 O ARG A 72 -3.962 -1.239 -24.922 1.00 0.00 O ATOM 1110 CB ARG A 72 -6.708 -2.342 -23.552 1.00 0.00 C ATOM 1111 CG ARG A 72 -7.764 -2.254 -22.448 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.405 -3.619 -22.192 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.805 -3.618 -22.673 1.00 0.00 N ATOM 1114 CZ ARG A 72 -10.656 -4.642 -22.510 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.254 -5.752 -21.878 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.907 -4.551 -22.979 1.00 0.00 N ATOM 0 H ARG A 72 -8.054 -0.292 -23.934 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.486 -0.687 -22.946 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.164 -2.719 -24.467 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.934 -3.054 -23.265 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.306 -1.886 -21.530 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.532 -1.535 -22.731 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.837 -4.398 -22.701 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.378 -3.849 -21.127 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.144 -2.787 -23.158 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.301 -5.819 -21.521 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.901 -6.531 -21.754 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.211 -3.704 -23.459 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.556 -5.329 -22.856 1.00 0.00 H new ATOM 1130 N GLU A 73 -5.797 -0.947 -26.211 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.065 -1.017 -27.463 1.00 0.00 C ATOM 1132 C GLU A 73 -4.118 0.179 -27.591 1.00 0.00 C ATOM 1133 O GLU A 73 -2.964 0.024 -27.986 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.023 -1.088 -28.655 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.039 -2.493 -29.261 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.161 -2.630 -30.292 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.254 -2.093 -30.018 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -6.899 -3.271 -31.333 1.00 0.00 O ATOM 0 H GLU A 73 -6.802 -0.802 -26.312 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.469 -1.930 -27.463 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.028 -0.814 -28.335 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.721 -0.365 -29.412 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.079 -2.701 -29.733 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.173 -3.232 -28.471 1.00 0.00 H new ATOM 1145 N LEU A 74 -4.644 1.347 -27.250 1.00 0.00 N ATOM 1146 CA LEU A 74 -3.861 2.569 -27.321 1.00 0.00 C ATOM 1147 C LEU A 74 -2.576 2.394 -26.508 1.00 0.00 C ATOM 1148 O LEU A 74 -1.507 2.833 -26.929 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.703 3.771 -26.891 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.433 4.308 -25.484 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.410 5.445 -25.516 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.736 4.731 -24.800 1.00 0.00 C ATOM 0 H LEU A 74 -5.602 1.473 -26.924 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.562 2.771 -28.350 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.539 4.579 -27.605 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.755 3.495 -26.958 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.001 3.503 -24.889 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.237 5.808 -24.503 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.473 5.079 -25.935 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.790 6.259 -26.133 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.517 5.109 -23.801 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.217 5.513 -25.387 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.403 3.872 -24.724 1.00 0.00 H new ATOM 1164 N SER A 75 -2.725 1.754 -25.358 1.00 0.00 N ATOM 1165 CA SER A 75 -1.590 1.516 -24.481 1.00 0.00 C ATOM 1166 C SER A 75 -0.540 0.668 -25.204 1.00 0.00 C ATOM 1167 O SER A 75 0.659 0.887 -25.040 1.00 0.00 O ATOM 1168 CB SER A 75 -2.028 0.829 -23.188 1.00 0.00 C ATOM 1169 OG SER A 75 -1.280 1.283 -22.062 1.00 0.00 O ATOM 0 H SER A 75 -3.614 1.393 -25.013 1.00 0.00 H new ATOM 0 HA SER A 75 -1.152 2.479 -24.218 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.088 1.017 -23.019 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.908 -0.249 -23.292 1.00 0.00 H new ATOM 0 HG SER A 75 -0.948 0.511 -21.557 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.029 -0.282 -25.987 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.149 -1.164 -26.734 1.00 0.00 C ATOM 1177 C LYS A 76 0.720 -0.329 -27.676 1.00 0.00 C ATOM 1178 O LYS A 76 1.703 -0.827 -28.225 1.00 0.00 O ATOM 1179 CB LYS A 76 -0.957 -2.252 -27.442 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.341 -1.815 -28.858 1.00 0.00 C ATOM 1181 CD LYS A 76 -0.532 -2.579 -29.908 1.00 0.00 C ATOM 1182 CE LYS A 76 -0.971 -2.197 -31.323 1.00 0.00 C ATOM 1183 NZ LYS A 76 -1.692 -3.320 -31.963 1.00 0.00 N ATOM 0 H LYS A 76 -2.024 -0.460 -26.120 1.00 0.00 H new ATOM 0 HA LYS A 76 0.527 -1.691 -26.060 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.374 -3.172 -27.487 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.857 -2.473 -26.869 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.405 -1.986 -29.019 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.170 -0.744 -28.971 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.529 -2.364 -29.782 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.659 -3.651 -29.761 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.615 -1.318 -31.286 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.100 -1.929 -31.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.983 -3.044 -32.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.066 -4.149 -32.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.534 -3.557 -31.401 1.00 0.00 H new ATOM 1197 N THR A 77 0.328 0.925 -27.837 1.00 0.00 N ATOM 1198 CA THR A 77 1.059 1.834 -28.704 1.00 0.00 C ATOM 1199 C THR A 77 2.403 2.205 -28.075 1.00 0.00 C ATOM 1200 O THR A 77 3.421 2.261 -28.764 1.00 0.00 O ATOM 1201 CB THR A 77 0.164 3.042 -28.985 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.650 3.554 -30.224 1.00 0.00 O ATOM 1203 CG2 THR A 77 0.395 4.185 -27.993 1.00 0.00 C ATOM 0 H THR A 77 -0.488 1.334 -27.381 1.00 0.00 H new ATOM 0 HA THR A 77 1.301 1.363 -29.657 1.00 0.00 H new ATOM 0 HB THR A 77 -0.881 2.735 -28.949 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.124 4.339 -30.482 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.265 5.018 -28.237 1.00 0.00 H new ATOM 0 HG22 THR A 77 0.182 3.838 -26.982 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.432 4.515 -28.053 1.00 0.00 H new ATOM 1211 N PHE A 78 2.363 2.450 -26.773 1.00 0.00 N ATOM 1212 CA PHE A 78 3.566 2.816 -26.043 1.00 0.00 C ATOM 1213 C PHE A 78 3.990 1.695 -25.091 1.00 0.00 C ATOM 1214 O PHE A 78 4.763 1.926 -24.162 1.00 0.00 O ATOM 1215 CB PHE A 78 3.231 4.065 -25.227 1.00 0.00 C ATOM 1216 CG PHE A 78 4.040 5.302 -25.622 1.00 0.00 C ATOM 1217 CD1 PHE A 78 3.692 6.018 -26.725 1.00 0.00 C ATOM 1218 CD2 PHE A 78 5.108 5.685 -24.871 1.00 0.00 C ATOM 1219 CE1 PHE A 78 4.443 7.166 -27.092 1.00 0.00 C ATOM 1220 CE2 PHE A 78 5.859 6.833 -25.238 1.00 0.00 C ATOM 1221 CZ PHE A 78 5.510 7.550 -26.341 1.00 0.00 C ATOM 0 H PHE A 78 1.517 2.402 -26.205 1.00 0.00 H new ATOM 0 HA PHE A 78 4.386 2.994 -26.739 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.170 4.286 -25.340 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.402 3.854 -24.171 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.845 5.713 -27.321 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.385 5.116 -23.996 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.167 7.734 -27.968 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.707 7.137 -24.642 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.080 8.424 -26.620 1.00 0.00 H new ATOM 1231 N ILE A 79 3.464 0.508 -25.353 1.00 0.00 N ATOM 1232 CA ILE A 79 3.779 -0.647 -24.530 1.00 0.00 C ATOM 1233 C ILE A 79 5.295 -0.854 -24.507 1.00 0.00 C ATOM 1234 O ILE A 79 5.919 -1.015 -25.556 1.00 0.00 O ATOM 1235 CB ILE A 79 2.998 -1.873 -25.008 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.859 -2.209 -24.041 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.931 -3.066 -25.231 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.357 -3.636 -24.261 1.00 0.00 C ATOM 0 H ILE A 79 2.822 0.321 -26.123 1.00 0.00 H new ATOM 0 HA ILE A 79 3.465 -0.478 -23.500 1.00 0.00 H new ATOM 0 HB ILE A 79 2.545 -1.635 -25.970 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.204 -2.095 -23.013 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.038 -1.505 -24.181 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.350 -3.924 -25.570 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.675 -2.810 -25.985 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.433 -3.315 -24.296 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.548 -3.849 -23.562 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.990 -3.739 -25.282 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.174 -4.339 -24.096 1.00 0.00 H new ATOM 1250 N ILE A 80 5.842 -0.845 -23.302 1.00 0.00 N ATOM 1251 CA ILE A 80 7.274 -1.031 -23.129 1.00 0.00 C ATOM 1252 C ILE A 80 7.588 -2.527 -23.079 1.00 0.00 C ATOM 1253 O ILE A 80 8.550 -2.984 -23.694 1.00 0.00 O ATOM 1254 CB ILE A 80 7.770 -0.257 -21.906 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.596 0.270 -21.077 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.729 0.862 -22.317 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.093 1.093 -19.885 1.00 0.00 C ATOM 0 H ILE A 80 5.321 -0.712 -22.435 1.00 0.00 H new ATOM 0 HA ILE A 80 7.817 -0.620 -23.980 1.00 0.00 H new ATOM 0 HB ILE A 80 8.330 -0.944 -21.271 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.950 0.885 -21.704 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.993 -0.565 -20.721 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.067 1.396 -21.429 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.589 0.433 -22.831 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.216 1.555 -22.984 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.240 1.456 -19.312 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.719 0.469 -19.247 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.675 1.941 -20.246 1.00 0.00 H new ATOM 1269 N GLY A 81 6.758 -3.248 -22.341 1.00 0.00 N ATOM 1270 CA GLY A 81 6.935 -4.684 -22.202 1.00 0.00 C ATOM 1271 C GLY A 81 5.771 -5.308 -21.430 1.00 0.00 C ATOM 1272 O GLY A 81 4.612 -4.959 -21.656 1.00 0.00 O ATOM 0 H GLY A 81 5.961 -2.865 -21.833 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.009 -5.142 -23.188 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.872 -4.890 -21.684 1.00 0.00 H new ATOM 1276 N GLU A 82 6.117 -6.222 -20.535 1.00 0.00 N ATOM 1277 CA GLU A 82 5.116 -6.898 -19.728 1.00 0.00 C ATOM 1278 C GLU A 82 5.713 -7.318 -18.384 1.00 0.00 C ATOM 1279 O GLU A 82 6.932 -7.321 -18.215 1.00 0.00 O ATOM 1280 CB GLU A 82 4.535 -8.102 -20.471 1.00 0.00 C ATOM 1281 CG GLU A 82 4.504 -7.853 -21.980 1.00 0.00 C ATOM 1282 CD GLU A 82 3.851 -9.023 -22.717 1.00 0.00 C ATOM 1283 OE1 GLU A 82 3.227 -9.854 -22.021 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.989 -9.062 -23.958 1.00 0.00 O ATOM 0 H GLU A 82 7.078 -6.510 -20.351 1.00 0.00 H new ATOM 0 HA GLU A 82 4.299 -6.202 -19.538 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.132 -8.988 -20.257 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.526 -8.303 -20.111 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.955 -6.935 -22.189 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.519 -7.708 -22.349 1.00 0.00 H new ATOM 1291 N LEU A 83 4.827 -7.663 -17.461 1.00 0.00 N ATOM 1292 CA LEU A 83 5.251 -8.084 -16.137 1.00 0.00 C ATOM 1293 C LEU A 83 5.774 -9.520 -16.207 1.00 0.00 C ATOM 1294 O LEU A 83 5.030 -10.441 -16.536 1.00 0.00 O ATOM 1295 CB LEU A 83 4.120 -7.892 -15.125 1.00 0.00 C ATOM 1296 CG LEU A 83 4.541 -7.807 -13.656 1.00 0.00 C ATOM 1297 CD1 LEU A 83 5.931 -8.412 -13.448 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.458 -6.368 -13.144 1.00 0.00 C ATOM 0 H LEU A 83 3.817 -7.659 -17.604 1.00 0.00 H new ATOM 0 HA LEU A 83 6.073 -7.460 -15.785 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.581 -6.980 -15.381 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.418 -8.718 -15.234 1.00 0.00 H new ATOM 0 HG LEU A 83 3.842 -8.399 -13.065 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.206 -8.339 -12.396 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.920 -9.460 -13.748 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.658 -7.869 -14.052 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.762 -6.336 -12.098 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.119 -5.733 -13.734 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.433 -6.008 -13.235 1.00 0.00 H new ATOM 1310 N HIS A 84 7.053 -9.666 -15.891 1.00 0.00 N ATOM 1311 CA HIS A 84 7.687 -10.973 -15.914 1.00 0.00 C ATOM 1312 C HIS A 84 7.124 -11.835 -14.781 1.00 0.00 C ATOM 1313 O HIS A 84 6.199 -11.423 -14.083 1.00 0.00 O ATOM 1314 CB HIS A 84 9.210 -10.842 -15.859 1.00 0.00 C ATOM 1315 CG HIS A 84 9.928 -11.549 -16.984 1.00 0.00 C ATOM 1316 ND1 HIS A 84 9.322 -11.843 -18.193 1.00 0.00 N ATOM 1317 CD2 HIS A 84 11.207 -12.015 -17.070 1.00 0.00 C ATOM 1318 CE1 HIS A 84 10.205 -12.460 -18.964 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.372 -12.567 -18.266 1.00 0.00 N ATOM 0 H HIS A 84 7.668 -8.899 -15.617 1.00 0.00 H new ATOM 0 HA HIS A 84 7.459 -11.475 -16.855 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.475 -9.785 -15.880 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.565 -11.240 -14.908 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.958 -11.947 -16.297 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.031 -12.816 -19.969 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.230 -13.000 -18.607 1.00 0.00 H new ATOM 1328 N PRO A 85 7.723 -13.047 -14.630 1.00 0.00 N ATOM 1329 CA PRO A 85 7.294 -13.971 -13.593 1.00 0.00 C ATOM 1330 C PRO A 85 7.784 -13.517 -12.217 1.00 0.00 C ATOM 1331 O PRO A 85 7.703 -14.268 -11.247 1.00 0.00 O ATOM 1332 CB PRO A 85 7.856 -15.318 -14.010 1.00 0.00 C ATOM 1333 CG PRO A 85 8.964 -15.019 -15.007 1.00 0.00 C ATOM 1334 CD PRO A 85 8.822 -13.568 -15.437 1.00 0.00 C ATOM 0 HA PRO A 85 6.209 -14.021 -13.496 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.243 -15.863 -13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.083 -15.941 -14.461 1.00 0.00 H new ATOM 0 HG2 PRO A 85 9.941 -15.190 -14.555 1.00 0.00 H new ATOM 0 HG3 PRO A 85 8.891 -15.682 -15.869 1.00 0.00 H new ATOM 0 HD2 PRO A 85 9.742 -13.011 -15.260 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.603 -13.490 -16.502 1.00 0.00 H new ATOM 1342 N ASP A 86 8.281 -12.289 -12.176 1.00 0.00 N ATOM 1343 CA ASP A 86 8.785 -11.728 -10.934 1.00 0.00 C ATOM 1344 C ASP A 86 7.606 -11.272 -10.071 1.00 0.00 C ATOM 1345 O ASP A 86 7.706 -11.241 -8.845 1.00 0.00 O ATOM 1346 CB ASP A 86 9.673 -10.510 -11.201 1.00 0.00 C ATOM 1347 CG ASP A 86 9.501 -9.355 -10.213 1.00 0.00 C ATOM 1348 OD1 ASP A 86 9.955 -9.521 -9.061 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.919 -8.331 -10.633 1.00 0.00 O ATOM 0 H ASP A 86 8.345 -11.668 -12.982 1.00 0.00 H new ATOM 0 HA ASP A 86 9.369 -12.497 -10.428 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.715 -10.829 -11.186 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.467 -10.142 -12.206 1.00 0.00 H new ATOM 1354 N ASP A 87 6.519 -10.930 -10.744 1.00 0.00 N ATOM 1355 CA ASP A 87 5.322 -10.478 -10.052 1.00 0.00 C ATOM 1356 C ASP A 87 4.205 -10.251 -11.072 1.00 0.00 C ATOM 1357 O ASP A 87 3.559 -9.204 -11.070 1.00 0.00 O ATOM 1358 CB ASP A 87 5.573 -9.156 -9.324 1.00 0.00 C ATOM 1359 CG ASP A 87 6.190 -9.292 -7.932 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.522 -9.904 -7.072 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.318 -8.781 -7.759 1.00 0.00 O ATOM 0 H ASP A 87 6.440 -10.956 -11.761 1.00 0.00 H new ATOM 0 HA ASP A 87 5.043 -11.242 -9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.230 -8.540 -9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.627 -8.622 -9.235 1.00 0.00 H new ATOM 1366 N ARG A 88 4.010 -11.250 -11.922 1.00 0.00 N ATOM 1367 CA ARG A 88 2.981 -11.172 -12.945 1.00 0.00 C ATOM 1368 C ARG A 88 1.689 -11.825 -12.449 1.00 0.00 C ATOM 1369 O ARG A 88 0.625 -11.209 -12.487 1.00 0.00 O ATOM 1370 CB ARG A 88 3.432 -11.866 -14.232 1.00 0.00 C ATOM 1371 CG ARG A 88 3.726 -13.347 -13.984 1.00 0.00 C ATOM 1372 CD ARG A 88 4.505 -13.954 -15.153 1.00 0.00 C ATOM 1373 NE ARG A 88 4.684 -15.408 -14.939 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.139 -16.253 -15.873 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.464 -15.796 -17.090 1.00 0.00 N ATOM 1376 NH2 ARG A 88 5.271 -17.557 -15.590 1.00 0.00 N ATOM 0 H ARG A 88 4.547 -12.117 -11.923 1.00 0.00 H new ATOM 0 HA ARG A 88 2.802 -10.118 -13.156 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.657 -11.768 -14.993 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.324 -11.375 -14.621 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.299 -13.459 -13.063 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.791 -13.889 -13.845 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.972 -13.778 -16.087 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.477 -13.469 -15.245 1.00 0.00 H new ATOM 0 HE ARG A 88 4.446 -15.790 -14.024 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.365 -14.804 -17.305 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.811 -16.440 -17.801 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.025 -17.905 -14.663 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.618 -18.201 -16.301 1.00 0.00 H new ATOM 1390 N SER A 89 1.824 -13.062 -11.995 1.00 0.00 N ATOM 1391 CA SER A 89 0.680 -13.803 -11.492 1.00 0.00 C ATOM 1392 C SER A 89 0.318 -13.318 -10.086 1.00 0.00 C ATOM 1393 O SER A 89 -0.515 -13.921 -9.414 1.00 0.00 O ATOM 1394 CB SER A 89 0.963 -15.308 -11.477 1.00 0.00 C ATOM 1395 OG SER A 89 -0.183 -16.069 -11.850 1.00 0.00 O ATOM 0 H SER A 89 2.708 -13.570 -11.965 1.00 0.00 H new ATOM 0 HA SER A 89 -0.163 -13.624 -12.159 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.784 -15.530 -12.159 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.288 -15.606 -10.480 1.00 0.00 H new ATOM 0 HG SER A 89 0.038 -17.024 -11.830 1.00 0.00 H new ATOM 1401 N LYS A 90 0.964 -12.232 -9.685 1.00 0.00 N ATOM 1402 CA LYS A 90 0.720 -11.659 -8.374 1.00 0.00 C ATOM 1403 C LYS A 90 -0.008 -10.323 -8.531 1.00 0.00 C ATOM 1404 O LYS A 90 -0.379 -9.694 -7.544 1.00 0.00 O ATOM 1405 CB LYS A 90 2.027 -11.558 -7.582 1.00 0.00 C ATOM 1406 CG LYS A 90 2.091 -12.628 -6.491 1.00 0.00 C ATOM 1407 CD LYS A 90 3.216 -12.330 -5.497 1.00 0.00 C ATOM 1408 CE LYS A 90 3.377 -13.474 -4.493 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.810 -13.741 -4.239 1.00 0.00 N ATOM 0 H LYS A 90 1.656 -11.735 -10.246 1.00 0.00 H new ATOM 0 HA LYS A 90 0.069 -12.309 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.875 -11.671 -8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.108 -10.569 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.138 -12.673 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.251 -13.606 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.152 -12.179 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.001 -11.403 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.877 -13.219 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.896 -14.373 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.902 -14.520 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.277 -14.005 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.259 -12.886 -3.852 1.00 0.00 H new ATOM 1423 N ILE A 91 -0.190 -9.929 -9.784 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.866 -8.680 -10.085 1.00 0.00 C ATOM 1425 C ILE A 91 -1.757 -8.870 -11.315 1.00 0.00 C ATOM 1426 O ILE A 91 -2.905 -8.429 -11.328 1.00 0.00 O ATOM 1427 CB ILE A 91 0.148 -7.543 -10.230 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.540 -7.340 -11.696 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.368 -7.779 -9.339 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.732 -6.391 -11.819 1.00 0.00 C ATOM 0 H ILE A 91 0.120 -10.454 -10.602 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.518 -8.392 -9.260 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.324 -6.620 -9.892 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.788 -8.301 -12.146 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.308 -6.938 -12.250 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.073 -6.956 -9.461 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.052 -7.834 -8.297 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.850 -8.715 -9.622 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.989 -6.265 -12.871 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.472 -5.423 -11.390 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.585 -6.808 -11.284 1.00 0.00 H new ATOM 1442 N THR A 92 -1.193 -9.528 -12.318 1.00 0.00 N ATOM 1443 CA THR A 92 -1.921 -9.781 -13.548 1.00 0.00 C ATOM 1444 C THR A 92 -3.383 -10.114 -13.244 1.00 0.00 C ATOM 1445 O THR A 92 -3.675 -10.825 -12.284 1.00 0.00 O ATOM 1446 CB THR A 92 -1.192 -10.891 -14.310 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.815 -10.901 -15.591 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.484 -12.281 -13.742 1.00 0.00 C ATOM 0 H THR A 92 -0.241 -9.893 -12.303 1.00 0.00 H new ATOM 0 HA THR A 92 -1.947 -8.894 -14.181 1.00 0.00 H new ATOM 0 HB THR A 92 -0.118 -10.706 -14.281 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.356 -10.091 -15.698 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.943 -13.031 -14.319 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.164 -12.323 -12.701 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.554 -12.481 -13.801 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.265 -9.585 -14.081 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.689 -9.816 -13.913 1.00 0.00 C ATOM 1458 C LYS A 93 -6.366 -9.808 -15.284 1.00 0.00 C ATOM 1459 O LYS A 93 -6.287 -8.822 -16.014 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.284 -8.809 -12.926 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.575 -9.470 -11.579 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.870 -8.924 -10.970 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.647 -10.031 -10.253 1.00 0.00 C ATOM 1464 NZ LYS A 93 -9.743 -10.534 -11.112 1.00 0.00 N ATOM 0 H LYS A 93 -4.020 -8.997 -14.878 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.867 -10.798 -13.474 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.592 -7.979 -12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.203 -8.391 -13.337 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.656 -10.549 -11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.744 -9.293 -10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.637 -8.124 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.490 -8.489 -11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.973 -10.849 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.056 -9.649 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.260 -11.284 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.394 -9.755 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.345 -10.917 -11.993 1.00 0.00 H new ATOM 1478 N PRO A 94 -7.037 -10.948 -15.601 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.729 -11.081 -16.871 1.00 0.00 C ATOM 1480 C PRO A 94 -9.030 -10.276 -16.875 1.00 0.00 C ATOM 1481 O PRO A 94 -9.482 -9.814 -15.827 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.956 -12.575 -17.042 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.801 -13.180 -15.657 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.153 -12.137 -14.761 1.00 0.00 C ATOM 0 HA PRO A 94 -7.154 -10.680 -17.706 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.948 -12.776 -17.447 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.235 -13.003 -17.738 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.772 -13.475 -15.259 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.188 -14.080 -15.700 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.761 -11.940 -13.878 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.177 -12.469 -14.408 1.00 0.00 H new ATOM 1492 N SER A 95 -9.596 -10.131 -18.064 1.00 0.00 N ATOM 1493 CA SER A 95 -10.836 -9.388 -18.216 1.00 0.00 C ATOM 1494 C SER A 95 -11.956 -10.074 -17.433 1.00 0.00 C ATOM 1495 O SER A 95 -11.775 -11.176 -16.918 1.00 0.00 O ATOM 1496 CB SER A 95 -11.222 -9.259 -19.692 1.00 0.00 C ATOM 1497 OG SER A 95 -12.326 -8.379 -19.879 1.00 0.00 O ATOM 0 H SER A 95 -9.219 -10.515 -18.931 1.00 0.00 H new ATOM 0 HA SER A 95 -10.685 -8.385 -17.818 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.367 -8.893 -20.260 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.471 -10.243 -20.089 1.00 0.00 H new ATOM 0 HG SER A 95 -12.541 -8.322 -20.833 1.00 0.00 H new ATOM 1503 N GLU A 96 -13.092 -9.394 -17.367 1.00 0.00 N ATOM 1504 CA GLU A 96 -14.242 -9.924 -16.655 1.00 0.00 C ATOM 1505 C GLU A 96 -15.497 -9.118 -16.999 1.00 0.00 C ATOM 1506 O GLU A 96 -15.406 -7.945 -17.356 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.995 -9.935 -15.145 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.938 -8.511 -14.588 1.00 0.00 C ATOM 1509 CD GLU A 96 -13.588 -8.518 -13.098 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -12.653 -9.265 -12.739 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -14.263 -7.777 -12.353 1.00 0.00 O ATOM 0 H GLU A 96 -13.240 -8.480 -17.795 1.00 0.00 H new ATOM 0 HA GLU A 96 -14.397 -10.955 -16.972 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -14.788 -10.492 -14.647 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.059 -10.451 -14.930 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.196 -7.932 -15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.900 -8.020 -14.737 1.00 0.00 H new ATOM 1518 N SER A 97 -16.637 -9.781 -16.879 1.00 0.00 N ATOM 1519 CA SER A 97 -17.909 -9.142 -17.173 1.00 0.00 C ATOM 1520 C SER A 97 -19.014 -9.757 -16.313 1.00 0.00 C ATOM 1521 O SER A 97 -18.809 -10.788 -15.674 1.00 0.00 O ATOM 1522 CB SER A 97 -18.259 -9.268 -18.657 1.00 0.00 C ATOM 1523 OG SER A 97 -18.642 -10.596 -19.004 1.00 0.00 O ATOM 0 H SER A 97 -16.707 -10.754 -16.582 1.00 0.00 H new ATOM 0 HA SER A 97 -17.822 -8.081 -16.937 1.00 0.00 H new ATOM 0 HB2 SER A 97 -19.071 -8.582 -18.898 1.00 0.00 H new ATOM 0 HB3 SER A 97 -17.401 -8.969 -19.259 1.00 0.00 H new ATOM 0 HG SER A 97 -18.859 -10.635 -19.959 1.00 0.00 H new ATOM 1529 N ILE A 98 -20.165 -9.099 -16.326 1.00 0.00 N ATOM 1530 CA ILE A 98 -21.304 -9.568 -15.555 1.00 0.00 C ATOM 1531 C ILE A 98 -22.569 -9.464 -16.408 1.00 0.00 C ATOM 1532 O ILE A 98 -22.536 -8.920 -17.511 1.00 0.00 O ATOM 1533 CB ILE A 98 -21.396 -8.819 -14.224 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -21.620 -7.322 -14.452 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -20.163 -9.087 -13.357 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -23.114 -6.997 -14.524 1.00 0.00 C ATOM 0 H ILE A 98 -20.333 -8.245 -16.858 1.00 0.00 H new ATOM 0 HA ILE A 98 -21.180 -10.619 -15.294 1.00 0.00 H new ATOM 0 HB ILE A 98 -22.262 -9.196 -13.679 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -21.159 -6.754 -13.644 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -21.132 -7.014 -15.377 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -20.254 -8.543 -12.417 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -20.087 -10.155 -13.152 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -19.269 -8.754 -13.884 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -23.246 -5.927 -14.686 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -23.567 -7.548 -15.348 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -23.594 -7.284 -13.589 1.00 0.00 H new ATOM 1548 N ILE A 99 -23.655 -9.993 -15.865 1.00 0.00 N ATOM 1549 CA ILE A 99 -24.930 -9.967 -16.563 1.00 0.00 C ATOM 1550 C ILE A 99 -25.954 -9.208 -15.718 1.00 0.00 C ATOM 1551 O ILE A 99 -25.721 -8.949 -14.539 1.00 0.00 O ATOM 1552 CB ILE A 99 -25.368 -11.386 -16.932 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -25.577 -12.238 -15.680 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -24.380 -12.030 -17.907 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -26.720 -13.236 -15.879 1.00 0.00 C ATOM 0 H ILE A 99 -23.679 -10.442 -14.950 1.00 0.00 H new ATOM 0 HA ILE A 99 -24.836 -9.431 -17.508 1.00 0.00 H new ATOM 0 HB ILE A 99 -26.329 -11.325 -17.443 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -24.658 -12.775 -15.444 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -25.797 -11.593 -14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -24.715 -13.038 -18.152 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -24.326 -11.434 -18.818 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -23.393 -12.078 -17.446 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -26.847 -13.829 -14.973 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -27.642 -12.695 -16.091 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -26.486 -13.896 -16.715 1.00 0.00 H new ATOM 1567 N THR A 100 -27.066 -8.871 -16.354 1.00 0.00 N ATOM 1568 CA THR A 100 -28.127 -8.146 -15.674 1.00 0.00 C ATOM 1569 C THR A 100 -29.476 -8.430 -16.337 1.00 0.00 C ATOM 1570 O THR A 100 -29.527 -8.948 -17.451 1.00 0.00 O ATOM 1571 CB THR A 100 -27.754 -6.661 -15.667 1.00 0.00 C ATOM 1572 OG1 THR A 100 -28.745 -6.058 -14.839 1.00 0.00 O ATOM 1573 CG2 THR A 100 -27.955 -6.000 -17.031 1.00 0.00 C ATOM 0 H THR A 100 -27.256 -9.086 -17.333 1.00 0.00 H new ATOM 0 HA THR A 100 -28.233 -8.475 -14.640 1.00 0.00 H new ATOM 0 HB THR A 100 -26.714 -6.550 -15.360 1.00 0.00 H new ATOM 0 HG1 THR A 100 -28.578 -5.094 -14.778 1.00 0.00 H new ATOM 0 HG21 THR A 100 -27.676 -4.948 -16.970 1.00 0.00 H new ATOM 0 HG22 THR A 100 -27.331 -6.499 -17.773 1.00 0.00 H new ATOM 0 HG23 THR A 100 -29.002 -6.081 -17.324 1.00 0.00 H new ATOM 1581 N THR A 101 -30.535 -8.078 -15.624 1.00 0.00 N ATOM 1582 CA THR A 101 -31.881 -8.288 -16.128 1.00 0.00 C ATOM 1583 C THR A 101 -32.839 -7.249 -15.543 1.00 0.00 C ATOM 1584 O THR A 101 -32.666 -6.809 -14.408 1.00 0.00 O ATOM 1585 CB THR A 101 -32.284 -9.730 -15.813 1.00 0.00 C ATOM 1586 OG1 THR A 101 -33.551 -9.884 -16.447 1.00 0.00 O ATOM 1587 CG2 THR A 101 -32.583 -9.944 -14.328 1.00 0.00 C ATOM 0 H THR A 101 -30.488 -7.648 -14.700 1.00 0.00 H new ATOM 0 HA THR A 101 -31.924 -8.151 -17.209 1.00 0.00 H new ATOM 0 HB THR A 101 -31.486 -10.405 -16.124 1.00 0.00 H new ATOM 0 HG1 THR A 101 -33.885 -10.793 -16.294 1.00 0.00 H new ATOM 0 HG21 THR A 101 -32.864 -10.984 -14.160 1.00 0.00 H new ATOM 0 HG22 THR A 101 -31.696 -9.708 -13.741 1.00 0.00 H new ATOM 0 HG23 THR A 101 -33.403 -9.293 -14.024 1.00 0.00 H new ATOM 1595 N ILE A 102 -33.829 -6.885 -16.346 1.00 0.00 N ATOM 1596 CA ILE A 102 -34.814 -5.905 -15.922 1.00 0.00 C ATOM 1597 C ILE A 102 -36.218 -6.444 -16.208 1.00 0.00 C ATOM 1598 O ILE A 102 -36.420 -7.178 -17.173 1.00 0.00 O ATOM 1599 CB ILE A 102 -34.533 -4.547 -16.570 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -35.227 -3.419 -15.805 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -34.918 -4.557 -18.051 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -36.722 -3.375 -16.129 1.00 0.00 C ATOM 0 H ILE A 102 -33.970 -7.251 -17.287 1.00 0.00 H new ATOM 0 HA ILE A 102 -34.748 -5.739 -14.847 1.00 0.00 H new ATOM 0 HB ILE A 102 -33.461 -4.359 -16.517 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -35.088 -3.562 -14.733 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -34.767 -2.464 -16.062 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -34.709 -3.581 -18.488 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -34.339 -5.320 -18.572 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -35.981 -4.778 -18.149 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -37.191 -2.564 -15.572 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -36.858 -3.207 -17.197 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -37.183 -4.322 -15.849 1.00 0.00 H new ATOM 1614 N ASP A 103 -37.151 -6.057 -15.349 1.00 0.00 N ATOM 1615 CA ASP A 103 -38.529 -6.492 -15.497 1.00 0.00 C ATOM 1616 C ASP A 103 -38.998 -6.210 -16.926 1.00 0.00 C ATOM 1617 O ASP A 103 -38.240 -5.687 -17.740 1.00 0.00 O ATOM 1618 CB ASP A 103 -39.451 -5.735 -14.539 1.00 0.00 C ATOM 1619 CG ASP A 103 -40.059 -6.584 -13.421 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -40.895 -7.451 -13.757 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -39.675 -6.347 -12.255 1.00 0.00 O ATOM 0 H ASP A 103 -36.979 -5.448 -14.549 1.00 0.00 H new ATOM 0 HA ASP A 103 -38.572 -7.558 -15.273 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -38.889 -4.917 -14.089 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -40.260 -5.287 -15.116 1.00 0.00 H new ATOM 1626 N SER A 104 -40.247 -6.569 -17.186 1.00 0.00 N ATOM 1627 CA SER A 104 -40.825 -6.362 -18.503 1.00 0.00 C ATOM 1628 C SER A 104 -42.278 -6.842 -18.517 1.00 0.00 C ATOM 1629 O SER A 104 -42.662 -7.695 -17.719 1.00 0.00 O ATOM 1630 CB SER A 104 -40.017 -7.085 -19.581 1.00 0.00 C ATOM 1631 OG SER A 104 -40.467 -6.761 -20.893 1.00 0.00 O ATOM 0 H SER A 104 -40.874 -7.001 -16.508 1.00 0.00 H new ATOM 0 HA SER A 104 -40.798 -5.295 -18.724 1.00 0.00 H new ATOM 0 HB2 SER A 104 -38.964 -6.820 -19.483 1.00 0.00 H new ATOM 0 HB3 SER A 104 -40.091 -8.162 -19.428 1.00 0.00 H new ATOM 0 HG SER A 104 -39.925 -7.241 -21.553 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.238 5.052 -17.773 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.925 6.676 -19.043 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.922 4.744 -20.936 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.646 3.228 -16.498 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.420 5.528 -14.601 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.827 5.590 -19.596 1.00 0.00 N HETATM 1644 C1A HEM A 105 -10.007 6.172 -19.956 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.118 6.242 -21.426 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.952 5.767 -21.970 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.148 5.374 -20.836 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.576 5.661 -23.447 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.340 6.713 -22.189 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.477 5.707 -22.095 1.00 0.00 C HETATM 1651 CGA HEM A 105 -11.985 4.279 -21.999 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.322 3.940 -21.002 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.218 3.491 -22.935 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.630 4.204 -18.536 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.212 4.184 -19.878 1.00 0.00 C HETATM 1656 C2B HEM A 105 -4.964 3.453 -20.029 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.643 2.972 -18.775 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.657 3.469 -17.873 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.243 3.188 -21.350 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.704 1.987 -18.389 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.375 1.852 -18.720 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.656 4.494 -15.950 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.569 3.697 -15.609 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.501 3.436 -14.155 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.578 4.092 -13.629 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.267 4.768 -14.737 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.429 2.555 -13.466 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.978 4.146 -12.286 1.00 0.00 C HETATM 1669 CBC HEM A 105 -7.061 4.314 -11.260 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.864 5.893 -16.974 1.00 0.00 N HETATM 1671 C1D HEM A 105 -10.182 6.050 -15.620 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.369 6.844 -15.448 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.754 7.199 -16.686 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.860 6.566 -17.648 1.00 0.00 C HETATM 1675 CMD HEM A 105 -12.086 7.175 -14.147 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.850 8.177 -17.034 1.00 0.00 C HETATM 1677 CBD HEM A 105 -14.159 7.451 -17.225 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.858 7.867 -18.496 1.00 0.00 C HETATM 1679 O1D HEM A 105 -16.102 7.767 -18.537 1.00 0.00 O HETATM 1680 O2D HEM A 105 -14.172 8.308 -19.449 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.477 5.515 -24.042 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -7.905 4.815 -23.592 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.077 6.578 -23.762 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.170 3.123 -21.172 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.447 4.002 -22.045 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -4.598 2.250 -21.776 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.101 1.776 -14.154 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.854 2.095 -12.574 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.577 3.173 -13.184 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.943 6.362 -13.435 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -13.151 7.304 -14.341 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.679 8.097 -13.731 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -1.797 1.018 -18.323 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -1.901 2.580 -19.379 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -7.402 4.352 -10.225 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.999 4.408 -11.488 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.120 5.808 -22.970 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.088 5.936 -21.222 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.078 6.872 -23.235 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.669 7.674 -21.794 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.810 7.647 -16.373 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.977 6.376 -17.247 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.589 8.717 -17.944 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.950 8.919 -16.241 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.774 7.206 -19.450 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.477 4.681 -21.918 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.843 2.622 -16.106 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.752 5.730 -13.593 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.094 1.215 -17.726 1.00 0.00 H new HETATM 0 HAC HEM A 105 -9.036 4.054 -12.043 1.00 0.00 H new