USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 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 53 GLN : amide:sc= -11.6! C(o=-23!,f=-32!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -11.6! (180deg=-7.74!) USER MOD Set 2.1: A 75 SER OG : rot -30:sc= -2.03! USER MOD Set 2.2: A 105 HEM CMB :methyl -30:sc= -7.19! (180deg=-3.94!) USER MOD Set 3.1: A 25 THR OG1 : rot -66:sc= 1.6 USER MOD Set 3.2: A 37 THR OG1 : rot 28:sc= 0.883 USER MOD Set 4.1: A 19 HIS : no HE2:sc= 0.246 K(o=0.25,f=-3.5!) USER MOD Set 4.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -136:sc= 0.142 (180deg=0) 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 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.292 USER MOD Single : A 17 GLN : amide:sc=-0.00557 X(o=-0.0056,f=0.37) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -9.48! C(o=-9.5!,f=-5.7!) USER MOD Single : A 21 ASN : amide:sc= -0.0219 X(o=-0.022,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 30 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-1.4) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= -0.0945 (180deg=-0.501) USER MOD Single : A 34 TYR OH : rot 180:sc= -2.39 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 0:sc= 1.55 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 174:sc= 0.0729 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -94:sc= 0.0872 USER MOD Single : A 84 HIS : no HD1:sc= -13.5! C(o=-14!,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 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 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= -0.932 (180deg=-0.932) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.231) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.105 0.173 -35.995 1.00 0.00 N ATOM 2 CA ALA A 1 32.433 0.755 -34.846 1.00 0.00 C ATOM 3 C ALA A 1 31.486 -0.281 -34.236 1.00 0.00 C ATOM 4 O ALA A 1 31.479 -1.439 -34.649 1.00 0.00 O ATOM 5 CB ALA A 1 31.704 2.030 -35.273 1.00 0.00 C ATOM 0 H1 ALA A 1 34.115 0.418 -35.967 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.999 -0.861 -35.972 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.682 0.545 -36.869 1.00 0.00 H new ATOM 0 HA ALA A 1 33.156 1.034 -34.079 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.200 2.467 -34.411 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.424 2.744 -35.673 1.00 0.00 H new ATOM 0 HB3 ALA A 1 30.968 1.789 -36.040 1.00 0.00 H new ATOM 11 N GLU A 2 30.710 0.174 -33.264 1.00 0.00 N ATOM 12 CA GLU A 2 29.762 -0.699 -32.593 1.00 0.00 C ATOM 13 C GLU A 2 28.468 0.058 -32.288 1.00 0.00 C ATOM 14 O GLU A 2 28.430 1.285 -32.361 1.00 0.00 O ATOM 15 CB GLU A 2 30.367 -1.289 -31.317 1.00 0.00 C ATOM 16 CG GLU A 2 30.253 -2.814 -31.309 1.00 0.00 C ATOM 17 CD GLU A 2 29.792 -3.324 -29.941 1.00 0.00 C ATOM 18 OE1 GLU A 2 30.316 -2.798 -28.936 1.00 0.00 O ATOM 19 OE2 GLU A 2 28.927 -4.225 -29.934 1.00 0.00 O ATOM 0 H GLU A 2 30.718 1.136 -32.925 1.00 0.00 H new ATOM 0 HA GLU A 2 29.526 -1.528 -33.260 1.00 0.00 H new ATOM 0 HB2 GLU A 2 31.415 -0.999 -31.240 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.857 -0.878 -30.445 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.548 -3.133 -32.076 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.218 -3.255 -31.559 1.00 0.00 H new ATOM 26 N GLU A 3 27.439 -0.706 -31.949 1.00 0.00 N ATOM 27 CA GLU A 3 26.146 -0.123 -31.632 1.00 0.00 C ATOM 28 C GLU A 3 25.158 -1.215 -31.220 1.00 0.00 C ATOM 29 O GLU A 3 25.406 -2.399 -31.444 1.00 0.00 O ATOM 30 CB GLU A 3 25.607 0.688 -32.812 1.00 0.00 C ATOM 31 CG GLU A 3 25.316 -0.217 -34.012 1.00 0.00 C ATOM 32 CD GLU A 3 24.639 0.568 -35.138 1.00 0.00 C ATOM 33 OE1 GLU A 3 23.456 0.920 -34.953 1.00 0.00 O ATOM 34 OE2 GLU A 3 25.324 0.797 -36.160 1.00 0.00 O ATOM 0 H GLU A 3 27.475 -1.723 -31.887 1.00 0.00 H new ATOM 0 HA GLU A 3 26.273 0.560 -30.792 1.00 0.00 H new ATOM 0 HB2 GLU A 3 24.696 1.208 -32.515 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.332 1.451 -33.095 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.246 -0.654 -34.376 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.675 -1.043 -33.703 1.00 0.00 H new ATOM 41 N SER A 4 24.058 -0.779 -30.623 1.00 0.00 N ATOM 42 CA SER A 4 23.031 -1.704 -30.177 1.00 0.00 C ATOM 43 C SER A 4 21.871 -0.934 -29.543 1.00 0.00 C ATOM 44 O SER A 4 22.015 0.237 -29.196 1.00 0.00 O ATOM 45 CB SER A 4 23.599 -2.720 -29.183 1.00 0.00 C ATOM 46 OG SER A 4 23.894 -2.126 -27.922 1.00 0.00 O ATOM 0 H SER A 4 23.856 0.204 -30.438 1.00 0.00 H new ATOM 0 HA SER A 4 22.664 -2.251 -31.045 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.883 -3.530 -29.044 1.00 0.00 H new ATOM 0 HB3 SER A 4 24.505 -3.163 -29.596 1.00 0.00 H new ATOM 0 HG SER A 4 24.253 -2.807 -27.315 1.00 0.00 H new ATOM 52 N SER A 5 20.748 -1.623 -29.412 1.00 0.00 N ATOM 53 CA SER A 5 19.564 -1.017 -28.826 1.00 0.00 C ATOM 54 C SER A 5 18.434 -2.046 -28.748 1.00 0.00 C ATOM 55 O SER A 5 18.444 -3.041 -29.473 1.00 0.00 O ATOM 56 CB SER A 5 19.114 0.205 -29.628 1.00 0.00 C ATOM 57 OG SER A 5 18.735 -0.139 -30.958 1.00 0.00 O ATOM 0 H SER A 5 20.632 -2.594 -29.701 1.00 0.00 H new ATOM 0 HA SER A 5 19.814 -0.683 -27.819 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.273 0.680 -29.123 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.922 0.936 -29.659 1.00 0.00 H new ATOM 0 HG SER A 5 18.452 0.668 -31.437 1.00 0.00 H new ATOM 63 N LYS A 6 17.485 -1.771 -27.864 1.00 0.00 N ATOM 64 CA LYS A 6 16.350 -2.660 -27.685 1.00 0.00 C ATOM 65 C LYS A 6 15.295 -1.964 -26.821 1.00 0.00 C ATOM 66 O LYS A 6 15.474 -0.816 -26.422 1.00 0.00 O ATOM 67 CB LYS A 6 16.810 -4.009 -27.128 1.00 0.00 C ATOM 68 CG LYS A 6 17.335 -3.862 -25.698 1.00 0.00 C ATOM 69 CD LYS A 6 17.481 -5.228 -25.025 1.00 0.00 C ATOM 70 CE LYS A 6 17.766 -5.073 -23.529 1.00 0.00 C ATOM 71 NZ LYS A 6 19.185 -5.373 -23.238 1.00 0.00 N ATOM 0 H LYS A 6 17.479 -0.946 -27.265 1.00 0.00 H new ATOM 0 HA LYS A 6 15.882 -2.880 -28.644 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.980 -4.715 -27.144 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.592 -4.422 -27.765 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.299 -3.354 -25.711 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.654 -3.238 -25.119 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.569 -5.807 -25.167 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.290 -5.786 -25.497 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.530 -4.057 -23.211 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.122 -5.743 -22.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.361 -5.263 -22.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.399 -6.350 -23.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.794 -4.717 -23.767 1.00 0.00 H new ATOM 85 N ALA A 7 14.220 -2.693 -26.557 1.00 0.00 N ATOM 86 CA ALA A 7 13.137 -2.160 -25.749 1.00 0.00 C ATOM 87 C ALA A 7 12.983 -3.012 -24.487 1.00 0.00 C ATOM 88 O ALA A 7 13.258 -4.209 -24.504 1.00 0.00 O ATOM 89 CB ALA A 7 11.853 -2.113 -26.580 1.00 0.00 C ATOM 0 H ALA A 7 14.076 -3.647 -26.888 1.00 0.00 H new ATOM 0 HA ALA A 7 13.359 -1.140 -25.435 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.041 -1.713 -25.973 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.005 -1.473 -27.449 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.597 -3.119 -26.911 1.00 0.00 H new ATOM 95 N VAL A 8 12.541 -2.359 -23.421 1.00 0.00 N ATOM 96 CA VAL A 8 12.348 -3.040 -22.153 1.00 0.00 C ATOM 97 C VAL A 8 11.909 -4.482 -22.416 1.00 0.00 C ATOM 98 O VAL A 8 12.631 -5.424 -22.090 1.00 0.00 O ATOM 99 CB VAL A 8 11.356 -2.263 -21.287 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.489 -1.335 -22.142 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.488 -3.211 -20.458 1.00 0.00 C ATOM 0 H VAL A 8 12.311 -1.365 -23.411 1.00 0.00 H new ATOM 0 HA VAL A 8 13.284 -3.080 -21.595 1.00 0.00 H new ATOM 0 HB VAL A 8 11.930 -1.645 -20.597 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.793 -0.795 -21.501 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.126 -0.623 -22.667 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.930 -1.926 -22.868 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.792 -2.631 -19.852 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.929 -3.868 -21.124 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.124 -3.810 -19.807 1.00 0.00 H new ATOM 111 N LYS A 9 10.728 -4.611 -23.002 1.00 0.00 N ATOM 112 CA LYS A 9 10.185 -5.922 -23.313 1.00 0.00 C ATOM 113 C LYS A 9 9.673 -6.575 -22.028 1.00 0.00 C ATOM 114 O LYS A 9 8.512 -6.969 -21.947 1.00 0.00 O ATOM 115 CB LYS A 9 11.217 -6.766 -24.062 1.00 0.00 C ATOM 116 CG LYS A 9 10.735 -7.097 -25.476 1.00 0.00 C ATOM 117 CD LYS A 9 11.545 -8.244 -26.078 1.00 0.00 C ATOM 118 CE LYS A 9 12.619 -7.717 -27.032 1.00 0.00 C ATOM 119 NZ LYS A 9 13.156 -8.814 -27.868 1.00 0.00 N ATOM 0 H LYS A 9 10.131 -3.828 -23.270 1.00 0.00 H new ATOM 0 HA LYS A 9 9.333 -5.831 -23.987 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.163 -6.228 -24.114 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.405 -7.689 -23.513 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.679 -7.367 -25.450 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.822 -6.214 -26.109 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.014 -8.821 -25.280 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.880 -8.922 -26.613 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.197 -6.940 -27.669 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.427 -7.258 -26.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.883 -8.438 -28.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.577 -9.542 -27.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.386 -9.234 -28.427 1.00 0.00 H new ATOM 133 N TYR A 10 10.567 -6.669 -21.053 1.00 0.00 N ATOM 134 CA TYR A 10 10.220 -7.267 -19.775 1.00 0.00 C ATOM 135 C TYR A 10 10.758 -6.428 -18.614 1.00 0.00 C ATOM 136 O TYR A 10 11.950 -6.132 -18.556 1.00 0.00 O ATOM 137 CB TYR A 10 10.898 -8.638 -19.755 1.00 0.00 C ATOM 138 CG TYR A 10 11.905 -8.852 -20.886 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.184 -8.347 -20.776 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.534 -9.552 -22.017 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.132 -8.547 -21.842 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.483 -9.753 -23.082 1.00 0.00 C ATOM 143 CZ TYR A 10 13.734 -9.241 -22.942 1.00 0.00 C ATOM 144 OH TYR A 10 14.630 -9.431 -23.949 1.00 0.00 O ATOM 0 H TYR A 10 11.530 -6.341 -21.123 1.00 0.00 H new ATOM 0 HA TYR A 10 9.138 -7.334 -19.662 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.408 -8.766 -18.800 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.132 -9.411 -19.813 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.475 -7.802 -19.890 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.533 -9.948 -22.103 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.136 -8.155 -21.769 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.206 -10.299 -23.972 1.00 0.00 H new ATOM 0 HH TYR A 10 14.208 -9.944 -24.670 1.00 0.00 H new ATOM 154 N TYR A 11 9.851 -6.069 -17.717 1.00 0.00 N ATOM 155 CA TYR A 11 10.218 -5.270 -16.560 1.00 0.00 C ATOM 156 C TYR A 11 9.715 -5.915 -15.267 1.00 0.00 C ATOM 157 O TYR A 11 8.889 -6.827 -15.304 1.00 0.00 O ATOM 158 CB TYR A 11 9.526 -3.918 -16.745 1.00 0.00 C ATOM 159 CG TYR A 11 10.432 -2.829 -17.323 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.800 -3.012 -17.352 1.00 0.00 C ATOM 161 CD2 TYR A 11 9.883 -1.663 -17.816 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.653 -1.989 -17.896 1.00 0.00 C ATOM 163 CE2 TYR A 11 10.736 -0.639 -18.359 1.00 0.00 C ATOM 164 CZ TYR A 11 12.079 -0.853 -18.373 1.00 0.00 C ATOM 165 OH TYR A 11 12.884 0.116 -18.887 1.00 0.00 O ATOM 0 H TYR A 11 8.863 -6.317 -17.768 1.00 0.00 H new ATOM 0 HA TYR A 11 11.301 -5.178 -16.485 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.667 -4.048 -17.403 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.142 -3.583 -15.781 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.230 -3.924 -16.966 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.813 -1.519 -17.794 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.725 -2.121 -17.925 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.319 0.279 -18.747 1.00 0.00 H new ATOM 0 HH TYR A 11 12.336 0.870 -19.191 1.00 0.00 H new ATOM 175 N THR A 12 10.234 -5.416 -14.155 1.00 0.00 N ATOM 176 CA THR A 12 9.849 -5.932 -12.852 1.00 0.00 C ATOM 177 C THR A 12 8.970 -4.918 -12.115 1.00 0.00 C ATOM 178 O THR A 12 9.064 -3.716 -12.362 1.00 0.00 O ATOM 179 CB THR A 12 11.125 -6.296 -12.091 1.00 0.00 C ATOM 180 OG1 THR A 12 11.758 -5.042 -11.853 1.00 0.00 O ATOM 181 CG2 THR A 12 12.126 -7.061 -12.958 1.00 0.00 C ATOM 0 H THR A 12 10.918 -4.660 -14.129 1.00 0.00 H new ATOM 0 HA THR A 12 9.242 -6.833 -12.947 1.00 0.00 H new ATOM 0 HB THR A 12 10.868 -6.897 -11.219 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.594 -5.185 -11.362 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.013 -7.295 -12.369 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.670 -7.986 -13.310 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.409 -6.448 -13.814 1.00 0.00 H new ATOM 189 N LEU A 13 8.137 -5.440 -11.228 1.00 0.00 N ATOM 190 CA LEU A 13 7.242 -4.595 -10.454 1.00 0.00 C ATOM 191 C LEU A 13 8.017 -3.386 -9.930 1.00 0.00 C ATOM 192 O LEU A 13 7.489 -2.275 -9.892 1.00 0.00 O ATOM 193 CB LEU A 13 6.556 -5.408 -9.355 1.00 0.00 C ATOM 194 CG LEU A 13 5.099 -5.796 -9.619 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.501 -6.533 -8.419 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.268 -4.572 -10.012 1.00 0.00 C ATOM 0 H LEU A 13 8.062 -6.437 -11.027 1.00 0.00 H new ATOM 0 HA LEU A 13 6.439 -4.212 -11.084 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.131 -6.320 -9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.597 -4.836 -8.428 1.00 0.00 H new ATOM 0 HG LEU A 13 5.077 -6.485 -10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.465 -6.797 -8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.074 -7.440 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.537 -5.888 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.237 -4.875 -10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.294 -3.840 -9.205 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.681 -4.128 -10.918 1.00 0.00 H new ATOM 208 N GLU A 14 9.257 -3.641 -9.540 1.00 0.00 N ATOM 209 CA GLU A 14 10.111 -2.584 -9.020 1.00 0.00 C ATOM 210 C GLU A 14 10.448 -1.583 -10.125 1.00 0.00 C ATOM 211 O GLU A 14 10.270 -0.377 -9.952 1.00 0.00 O ATOM 212 CB GLU A 14 11.382 -3.165 -8.398 1.00 0.00 C ATOM 213 CG GLU A 14 11.547 -2.696 -6.951 1.00 0.00 C ATOM 214 CD GLU A 14 10.776 -3.602 -5.989 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.921 -4.834 -6.133 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.061 -3.042 -5.131 1.00 0.00 O ATOM 0 H GLU A 14 9.692 -4.563 -9.573 1.00 0.00 H new ATOM 0 HA GLU A 14 9.569 -2.057 -8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.342 -4.254 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.250 -2.861 -8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.604 -2.693 -6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.191 -1.670 -6.855 1.00 0.00 H new ATOM 223 N GLU A 15 10.931 -2.117 -11.239 1.00 0.00 N ATOM 224 CA GLU A 15 11.296 -1.285 -12.371 1.00 0.00 C ATOM 225 C GLU A 15 10.159 -0.316 -12.706 1.00 0.00 C ATOM 226 O GLU A 15 10.405 0.836 -13.060 1.00 0.00 O ATOM 227 CB GLU A 15 11.663 -2.140 -13.585 1.00 0.00 C ATOM 228 CG GLU A 15 12.121 -1.267 -14.755 1.00 0.00 C ATOM 229 CD GLU A 15 10.935 -0.539 -15.392 1.00 0.00 C ATOM 230 OE1 GLU A 15 9.806 -1.056 -15.246 1.00 0.00 O ATOM 231 OE2 GLU A 15 11.183 0.518 -16.010 1.00 0.00 O ATOM 0 H GLU A 15 11.077 -3.117 -11.380 1.00 0.00 H new ATOM 0 HA GLU A 15 12.176 -0.702 -12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.456 -2.838 -13.316 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.802 -2.736 -13.887 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.854 -0.540 -14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.617 -1.886 -15.503 1.00 0.00 H new ATOM 238 N ILE A 16 8.940 -0.819 -12.581 1.00 0.00 N ATOM 239 CA ILE A 16 7.765 -0.013 -12.866 1.00 0.00 C ATOM 240 C ILE A 16 7.473 0.894 -11.670 1.00 0.00 C ATOM 241 O ILE A 16 7.026 2.027 -11.841 1.00 0.00 O ATOM 242 CB ILE A 16 6.588 -0.905 -13.265 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.040 -2.023 -14.206 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.451 -0.076 -13.864 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.519 -3.383 -13.736 1.00 0.00 C ATOM 0 H ILE A 16 8.740 -1.775 -12.286 1.00 0.00 H new ATOM 0 HA ILE A 16 7.946 0.637 -13.722 1.00 0.00 H new ATOM 0 HB ILE A 16 6.200 -1.381 -12.364 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.680 -1.821 -15.215 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.129 -2.044 -14.254 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.627 -0.734 -14.139 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.105 0.651 -13.130 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.810 0.446 -14.751 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.856 -4.159 -14.424 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.900 -3.593 -12.737 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.429 -3.367 -13.712 1.00 0.00 H new ATOM 257 N GLN A 17 7.735 0.361 -10.487 1.00 0.00 N ATOM 258 CA GLN A 17 7.505 1.109 -9.261 1.00 0.00 C ATOM 259 C GLN A 17 8.412 2.341 -9.213 1.00 0.00 C ATOM 260 O GLN A 17 8.002 3.400 -8.741 1.00 0.00 O ATOM 261 CB GLN A 17 7.716 0.225 -8.032 1.00 0.00 C ATOM 262 CG GLN A 17 6.769 0.627 -6.898 1.00 0.00 C ATOM 263 CD GLN A 17 7.474 1.543 -5.894 1.00 0.00 C ATOM 264 OE1 GLN A 17 7.580 2.744 -6.077 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.952 0.909 -4.827 1.00 0.00 N ATOM 0 H GLN A 17 8.104 -0.580 -10.350 1.00 0.00 H new ATOM 0 HA GLN A 17 6.468 1.445 -9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.549 -0.819 -8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.749 0.306 -7.694 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.897 1.136 -7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.406 -0.266 -6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.829 -0.099 -4.735 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.442 1.431 -4.100 1.00 0.00 H new ATOM 274 N LYS A 18 9.628 2.161 -9.708 1.00 0.00 N ATOM 275 CA LYS A 18 10.596 3.243 -9.728 1.00 0.00 C ATOM 276 C LYS A 18 10.138 4.313 -10.723 1.00 0.00 C ATOM 277 O LYS A 18 10.406 5.498 -10.531 1.00 0.00 O ATOM 278 CB LYS A 18 11.999 2.704 -10.009 1.00 0.00 C ATOM 279 CG LYS A 18 12.371 1.601 -9.014 1.00 0.00 C ATOM 280 CD LYS A 18 12.931 2.196 -7.720 1.00 0.00 C ATOM 281 CE LYS A 18 14.195 3.011 -7.992 1.00 0.00 C ATOM 282 NZ LYS A 18 14.943 3.244 -6.737 1.00 0.00 N ATOM 0 H LYS A 18 9.965 1.281 -10.098 1.00 0.00 H new ATOM 0 HA LYS A 18 10.654 3.719 -8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.046 2.313 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.724 3.516 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.492 0.997 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.109 0.936 -9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.179 2.831 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.155 1.395 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.827 2.484 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.928 3.966 -8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.799 3.799 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.343 3.766 -6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.214 2.331 -6.320 1.00 0.00 H new ATOM 296 N HIS A 19 9.457 3.856 -11.762 1.00 0.00 N ATOM 297 CA HIS A 19 8.961 4.757 -12.787 1.00 0.00 C ATOM 298 C HIS A 19 7.526 5.171 -12.455 1.00 0.00 C ATOM 299 O HIS A 19 6.573 4.525 -12.888 1.00 0.00 O ATOM 300 CB HIS A 19 9.089 4.127 -14.175 1.00 0.00 C ATOM 301 CG HIS A 19 10.489 4.167 -14.740 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.748 4.368 -16.084 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.701 4.030 -14.129 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.062 4.351 -16.265 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.650 4.141 -15.052 1.00 0.00 N ATOM 0 H HIS A 19 9.237 2.872 -11.916 1.00 0.00 H new ATOM 0 HA HIS A 19 9.569 5.661 -12.805 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.758 3.090 -14.124 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.417 4.643 -14.860 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.047 4.506 -16.812 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.862 3.860 -13.075 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.576 4.481 -17.206 1.00 0.00 H new ATOM 314 N ASN A 20 7.416 6.248 -11.689 1.00 0.00 N ATOM 315 CA ASN A 20 6.114 6.755 -11.294 1.00 0.00 C ATOM 316 C ASN A 20 6.151 8.285 -11.276 1.00 0.00 C ATOM 317 O ASN A 20 5.346 8.921 -10.598 1.00 0.00 O ATOM 318 CB ASN A 20 5.738 6.275 -9.890 1.00 0.00 C ATOM 319 CG ASN A 20 4.509 7.021 -9.366 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.393 7.330 -8.192 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.603 7.294 -10.300 1.00 0.00 N ATOM 0 H ASN A 20 8.208 6.783 -11.332 1.00 0.00 H new ATOM 0 HA ASN A 20 5.378 6.388 -12.010 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.537 5.204 -9.910 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.578 6.429 -9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.748 7.791 -10.051 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.763 7.006 -11.265 1.00 0.00 H new ATOM 328 N ASN A 21 7.094 8.831 -12.030 1.00 0.00 N ATOM 329 CA ASN A 21 7.247 10.273 -12.109 1.00 0.00 C ATOM 330 C ASN A 21 6.740 10.762 -13.467 1.00 0.00 C ATOM 331 O ASN A 21 6.638 9.982 -14.414 1.00 0.00 O ATOM 332 CB ASN A 21 8.717 10.679 -11.981 1.00 0.00 C ATOM 333 CG ASN A 21 9.307 10.191 -10.655 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.287 10.878 -9.647 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.831 8.970 -10.713 1.00 0.00 N ATOM 0 H ASN A 21 7.760 8.300 -12.592 1.00 0.00 H new ATOM 0 HA ASN A 21 6.677 10.717 -11.293 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.287 10.263 -12.812 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.806 11.763 -12.045 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.249 8.555 -9.881 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.814 8.449 -11.590 1.00 0.00 H new ATOM 342 N SER A 22 6.433 12.050 -13.520 1.00 0.00 N ATOM 343 CA SER A 22 5.938 12.651 -14.747 1.00 0.00 C ATOM 344 C SER A 22 6.992 12.533 -15.850 1.00 0.00 C ATOM 345 O SER A 22 6.705 12.792 -17.017 1.00 0.00 O ATOM 346 CB SER A 22 5.561 14.118 -14.528 1.00 0.00 C ATOM 347 OG SER A 22 6.709 14.958 -14.447 1.00 0.00 O ATOM 0 H SER A 22 6.517 12.694 -12.733 1.00 0.00 H new ATOM 0 HA SER A 22 5.040 12.114 -15.053 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.923 14.454 -15.345 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.979 14.210 -13.611 1.00 0.00 H new ATOM 0 HG SER A 22 6.426 15.886 -14.309 1.00 0.00 H new ATOM 353 N LYS A 23 8.190 12.142 -15.441 1.00 0.00 N ATOM 354 CA LYS A 23 9.288 11.987 -16.380 1.00 0.00 C ATOM 355 C LYS A 23 9.500 10.499 -16.667 1.00 0.00 C ATOM 356 O LYS A 23 10.033 10.136 -17.715 1.00 0.00 O ATOM 357 CB LYS A 23 10.539 12.697 -15.863 1.00 0.00 C ATOM 358 CG LYS A 23 11.219 13.493 -16.979 1.00 0.00 C ATOM 359 CD LYS A 23 12.456 14.226 -16.457 1.00 0.00 C ATOM 360 CE LYS A 23 12.930 15.283 -17.455 1.00 0.00 C ATOM 361 NZ LYS A 23 14.409 15.351 -17.474 1.00 0.00 N ATOM 0 H LYS A 23 8.424 11.928 -14.472 1.00 0.00 H new ATOM 0 HA LYS A 23 9.048 12.465 -17.330 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.270 13.367 -15.046 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.236 11.964 -15.458 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.505 12.820 -17.787 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.515 14.213 -17.397 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.226 14.699 -15.502 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.257 13.510 -16.273 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.558 15.044 -18.451 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.519 16.256 -17.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.715 16.074 -18.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.757 15.601 -16.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.795 14.426 -17.752 1.00 0.00 H new ATOM 375 N SER A 24 9.072 9.677 -15.720 1.00 0.00 N ATOM 376 CA SER A 24 9.208 8.239 -15.859 1.00 0.00 C ATOM 377 C SER A 24 7.932 7.543 -15.381 1.00 0.00 C ATOM 378 O SER A 24 7.931 6.888 -14.339 1.00 0.00 O ATOM 379 CB SER A 24 10.419 7.722 -15.078 1.00 0.00 C ATOM 380 OG SER A 24 11.572 7.592 -15.904 1.00 0.00 O ATOM 0 H SER A 24 8.630 9.981 -14.852 1.00 0.00 H new ATOM 0 HA SER A 24 9.365 8.011 -16.913 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.637 8.403 -14.256 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.179 6.755 -14.636 1.00 0.00 H new ATOM 0 HG SER A 24 12.323 7.261 -15.368 1.00 0.00 H new ATOM 386 N THR A 25 6.876 7.709 -16.164 1.00 0.00 N ATOM 387 CA THR A 25 5.597 7.105 -15.834 1.00 0.00 C ATOM 388 C THR A 25 5.456 5.746 -16.521 1.00 0.00 C ATOM 389 O THR A 25 5.303 5.674 -17.740 1.00 0.00 O ATOM 390 CB THR A 25 4.495 8.096 -16.215 1.00 0.00 C ATOM 391 OG1 THR A 25 5.138 9.367 -16.167 1.00 0.00 O ATOM 392 CG2 THR A 25 3.401 8.193 -15.149 1.00 0.00 C ATOM 0 H THR A 25 6.880 8.254 -17.026 1.00 0.00 H new ATOM 0 HA THR A 25 5.518 6.903 -14.766 1.00 0.00 H new ATOM 0 HB THR A 25 4.052 7.798 -17.165 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.397 9.568 -15.243 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.644 8.909 -15.469 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.940 7.215 -15.011 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.839 8.524 -14.207 1.00 0.00 H new ATOM 400 N TRP A 26 5.511 4.700 -15.708 1.00 0.00 N ATOM 401 CA TRP A 26 5.391 3.346 -16.222 1.00 0.00 C ATOM 402 C TRP A 26 4.354 2.609 -15.374 1.00 0.00 C ATOM 403 O TRP A 26 4.313 2.773 -14.157 1.00 0.00 O ATOM 404 CB TRP A 26 6.752 2.646 -16.245 1.00 0.00 C ATOM 405 CG TRP A 26 7.437 2.661 -17.613 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.615 1.638 -18.459 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.033 3.805 -18.263 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.279 2.035 -19.601 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.540 3.395 -19.480 1.00 0.00 C ATOM 410 CE3 TRP A 26 8.138 5.141 -17.838 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.189 4.258 -20.370 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.790 5.991 -18.739 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.307 5.594 -19.967 1.00 0.00 C ATOM 0 H TRP A 26 5.637 4.763 -14.698 1.00 0.00 H new ATOM 0 HA TRP A 26 5.051 3.355 -17.258 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.407 3.124 -15.517 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.622 1.612 -15.926 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.280 0.629 -18.271 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.532 1.440 -20.390 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.747 5.484 -16.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.578 3.912 -21.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.899 7.029 -18.460 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.797 6.313 -20.607 1.00 0.00 H new ATOM 424 N LEU A 27 3.540 1.811 -16.051 1.00 0.00 N ATOM 425 CA LEU A 27 2.505 1.048 -15.376 1.00 0.00 C ATOM 426 C LEU A 27 2.313 -0.289 -16.092 1.00 0.00 C ATOM 427 O LEU A 27 2.817 -0.483 -17.198 1.00 0.00 O ATOM 428 CB LEU A 27 1.222 1.873 -15.258 1.00 0.00 C ATOM 429 CG LEU A 27 0.217 1.717 -16.400 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.923 1.735 -17.758 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.636 0.461 -16.214 1.00 0.00 C ATOM 0 H LEU A 27 3.577 1.677 -17.061 1.00 0.00 H new ATOM 0 HA LEU A 27 2.806 0.821 -14.353 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.726 1.605 -14.325 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.496 2.925 -15.183 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.460 2.571 -16.377 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.186 1.622 -18.553 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.449 2.682 -17.882 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.638 0.914 -17.807 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.342 0.375 -17.040 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.009 -0.417 -16.195 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.184 0.529 -15.274 1.00 0.00 H new ATOM 443 N ILE A 28 1.583 -1.177 -15.435 1.00 0.00 N ATOM 444 CA ILE A 28 1.318 -2.491 -15.996 1.00 0.00 C ATOM 445 C ILE A 28 -0.191 -2.666 -16.184 1.00 0.00 C ATOM 446 O ILE A 28 -0.970 -2.387 -15.274 1.00 0.00 O ATOM 447 CB ILE A 28 1.960 -3.581 -15.137 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.203 -3.052 -14.420 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.267 -4.828 -15.969 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.387 -3.733 -13.063 1.00 0.00 C ATOM 0 H ILE A 28 1.166 -1.013 -14.519 1.00 0.00 H new ATOM 0 HA ILE A 28 1.776 -2.583 -16.981 1.00 0.00 H new ATOM 0 HB ILE A 28 1.244 -3.875 -14.369 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.084 -3.223 -15.039 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.115 -1.974 -14.281 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.723 -5.587 -15.333 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.342 -5.219 -16.394 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.955 -4.568 -16.774 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.278 -3.338 -12.575 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.515 -3.540 -12.438 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.499 -4.808 -13.207 1.00 0.00 H new ATOM 462 N LEU A 29 -0.559 -3.126 -17.371 1.00 0.00 N ATOM 463 CA LEU A 29 -1.959 -3.340 -17.690 1.00 0.00 C ATOM 464 C LEU A 29 -2.144 -4.761 -18.228 1.00 0.00 C ATOM 465 O LEU A 29 -1.414 -5.189 -19.122 1.00 0.00 O ATOM 466 CB LEU A 29 -2.466 -2.253 -18.639 1.00 0.00 C ATOM 467 CG LEU A 29 -3.621 -1.393 -18.119 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.484 -0.879 -19.272 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.447 -2.157 -17.080 1.00 0.00 C ATOM 0 H LEU A 29 0.090 -3.356 -18.124 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.570 -3.256 -16.792 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.632 -1.596 -18.885 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.782 -2.728 -19.568 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.200 -0.521 -17.619 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.297 -0.271 -18.875 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.873 -0.275 -19.942 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.898 -1.724 -19.822 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.261 -1.525 -16.726 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.859 -3.058 -17.534 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.810 -2.432 -16.240 1.00 0.00 H new ATOM 481 N HIS A 30 -3.122 -5.453 -17.662 1.00 0.00 N ATOM 482 CA HIS A 30 -3.410 -6.815 -18.075 1.00 0.00 C ATOM 483 C HIS A 30 -2.265 -7.734 -17.647 1.00 0.00 C ATOM 484 O HIS A 30 -2.455 -8.629 -16.824 1.00 0.00 O ATOM 485 CB HIS A 30 -3.694 -6.880 -19.576 1.00 0.00 C ATOM 486 CG HIS A 30 -4.324 -8.176 -20.027 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.295 -9.330 -19.262 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.000 -8.489 -21.170 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.926 -10.287 -19.926 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.363 -9.763 -21.107 1.00 0.00 N ATOM 0 H HIS A 30 -3.725 -5.095 -16.921 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.315 -7.165 -17.579 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.352 -6.055 -19.847 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.760 -6.734 -20.119 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.205 -7.814 -21.988 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.069 -11.304 -19.591 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -5.884 -10.268 -21.824 1.00 0.00 H new ATOM 499 N TYR A 31 -1.100 -7.482 -18.226 1.00 0.00 N ATOM 500 CA TYR A 31 0.078 -8.277 -17.916 1.00 0.00 C ATOM 501 C TYR A 31 1.325 -7.692 -18.579 1.00 0.00 C ATOM 502 O TYR A 31 2.405 -8.274 -18.503 1.00 0.00 O ATOM 503 CB TYR A 31 -0.188 -9.668 -18.494 1.00 0.00 C ATOM 504 CG TYR A 31 0.083 -9.779 -19.998 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.345 -10.104 -20.449 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.937 -9.554 -20.898 1.00 0.00 C ATOM 507 CE1 TYR A 31 1.599 -10.209 -21.862 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.683 -9.659 -22.314 1.00 0.00 C ATOM 509 CZ TYR A 31 0.573 -9.980 -22.725 1.00 0.00 C ATOM 510 OH TYR A 31 0.812 -10.078 -24.060 1.00 0.00 O ATOM 0 H TYR A 31 -0.946 -6.739 -18.908 1.00 0.00 H new ATOM 0 HA TYR A 31 0.254 -8.298 -16.841 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.433 -10.394 -17.969 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.226 -9.938 -18.301 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.143 -10.280 -19.742 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.925 -9.299 -20.543 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.582 -10.464 -22.229 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.472 -9.487 -23.031 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.013 -9.889 -24.555 1.00 0.00 H new ATOM 520 N LYS A 32 1.134 -6.545 -19.217 1.00 0.00 N ATOM 521 CA LYS A 32 2.231 -5.873 -19.893 1.00 0.00 C ATOM 522 C LYS A 32 2.448 -4.497 -19.262 1.00 0.00 C ATOM 523 O LYS A 32 1.606 -4.019 -18.502 1.00 0.00 O ATOM 524 CB LYS A 32 1.980 -5.825 -21.402 1.00 0.00 C ATOM 525 CG LYS A 32 0.506 -5.552 -21.705 1.00 0.00 C ATOM 526 CD LYS A 32 -0.053 -6.586 -22.685 1.00 0.00 C ATOM 527 CE LYS A 32 -1.572 -6.709 -22.545 1.00 0.00 C ATOM 528 NZ LYS A 32 -2.168 -7.220 -23.799 1.00 0.00 N ATOM 0 H LYS A 32 0.236 -6.065 -19.280 1.00 0.00 H new ATOM 0 HA LYS A 32 3.158 -6.432 -19.764 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.597 -5.048 -21.852 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.279 -6.771 -21.854 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.069 -5.575 -20.780 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.396 -4.552 -22.124 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.200 -6.299 -23.706 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.412 -7.555 -22.502 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.814 -7.380 -21.721 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.001 -5.737 -22.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.071 -7.690 -23.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.334 -6.428 -24.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.518 -7.902 -24.240 1.00 0.00 H new ATOM 542 N VAL A 33 3.579 -3.897 -19.600 1.00 0.00 N ATOM 543 CA VAL A 33 3.916 -2.584 -19.076 1.00 0.00 C ATOM 544 C VAL A 33 3.825 -1.552 -20.202 1.00 0.00 C ATOM 545 O VAL A 33 4.269 -1.805 -21.320 1.00 0.00 O ATOM 546 CB VAL A 33 5.295 -2.624 -18.413 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.500 -1.413 -17.501 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.494 -3.932 -17.642 1.00 0.00 C ATOM 0 H VAL A 33 4.274 -4.296 -20.231 1.00 0.00 H new ATOM 0 HA VAL A 33 3.206 -2.287 -18.304 1.00 0.00 H new ATOM 0 HB VAL A 33 6.048 -2.581 -19.200 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.487 -1.466 -17.042 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.421 -0.498 -18.088 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.738 -1.411 -16.722 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.481 -3.936 -17.180 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.731 -4.018 -16.868 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.411 -4.775 -18.328 1.00 0.00 H new ATOM 558 N TYR A 34 3.245 -0.409 -19.866 1.00 0.00 N ATOM 559 CA TYR A 34 3.089 0.663 -20.834 1.00 0.00 C ATOM 560 C TYR A 34 3.807 1.931 -20.368 1.00 0.00 C ATOM 561 O TYR A 34 4.037 2.115 -19.175 1.00 0.00 O ATOM 562 CB TYR A 34 1.587 0.943 -20.916 1.00 0.00 C ATOM 563 CG TYR A 34 0.743 -0.285 -21.257 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.624 -1.316 -20.346 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.098 -0.364 -22.475 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.171 -2.473 -20.669 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.697 -1.520 -22.797 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.792 -2.519 -21.876 1.00 0.00 C ATOM 569 OH TYR A 34 -1.543 -3.611 -22.180 1.00 0.00 O ATOM 0 H TYR A 34 2.878 -0.202 -18.937 1.00 0.00 H new ATOM 0 HA TYR A 34 3.514 0.376 -21.796 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.251 1.348 -19.962 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.412 1.712 -21.668 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.127 -1.255 -19.392 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.190 0.443 -23.187 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.271 -3.287 -19.966 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.206 -1.593 -23.747 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.928 -3.505 -23.075 1.00 0.00 H new ATOM 579 N ASP A 35 4.143 2.773 -21.335 1.00 0.00 N ATOM 580 CA ASP A 35 4.831 4.017 -21.040 1.00 0.00 C ATOM 581 C ASP A 35 3.798 5.122 -20.806 1.00 0.00 C ATOM 582 O ASP A 35 3.350 5.769 -21.751 1.00 0.00 O ATOM 583 CB ASP A 35 5.722 4.445 -22.208 1.00 0.00 C ATOM 584 CG ASP A 35 7.006 5.174 -21.807 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.949 5.908 -20.797 1.00 0.00 O ATOM 586 OD2 ASP A 35 8.014 4.983 -22.520 1.00 0.00 O ATOM 0 H ASP A 35 3.951 2.617 -22.324 1.00 0.00 H new ATOM 0 HA ASP A 35 5.447 3.859 -20.155 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.989 3.560 -22.785 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.145 5.093 -22.868 1.00 0.00 H new ATOM 591 N LEU A 36 3.452 5.305 -19.540 1.00 0.00 N ATOM 592 CA LEU A 36 2.480 6.319 -19.169 1.00 0.00 C ATOM 593 C LEU A 36 3.032 7.702 -19.525 1.00 0.00 C ATOM 594 O LEU A 36 2.274 8.608 -19.867 1.00 0.00 O ATOM 595 CB LEU A 36 2.091 6.175 -17.696 1.00 0.00 C ATOM 596 CG LEU A 36 1.138 5.025 -17.365 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.303 5.345 -16.124 1.00 0.00 C ATOM 598 CD2 LEU A 36 0.262 4.674 -18.569 1.00 0.00 C ATOM 0 H LEU A 36 3.828 4.768 -18.758 1.00 0.00 H new ATOM 0 HA LEU A 36 1.557 6.187 -19.734 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.002 6.046 -17.111 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.631 7.108 -17.369 1.00 0.00 H new ATOM 0 HG LEU A 36 1.735 4.143 -17.133 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.366 4.511 -15.911 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.964 5.507 -15.273 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.285 6.245 -16.303 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.406 3.854 -18.306 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.328 5.545 -18.856 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.895 4.373 -19.404 1.00 0.00 H new ATOM 610 N THR A 37 4.349 7.821 -19.431 1.00 0.00 N ATOM 611 CA THR A 37 5.011 9.076 -19.741 1.00 0.00 C ATOM 612 C THR A 37 4.554 9.598 -21.105 1.00 0.00 C ATOM 613 O THR A 37 4.675 10.789 -21.388 1.00 0.00 O ATOM 614 CB THR A 37 6.522 8.849 -19.652 1.00 0.00 C ATOM 615 OG1 THR A 37 6.898 9.489 -18.437 1.00 0.00 O ATOM 616 CG2 THR A 37 7.294 9.612 -20.730 1.00 0.00 C ATOM 0 H THR A 37 4.975 7.068 -19.144 1.00 0.00 H new ATOM 0 HA THR A 37 4.742 9.852 -19.025 1.00 0.00 H new ATOM 0 HB THR A 37 6.734 7.784 -19.740 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.140 9.482 -17.815 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.361 9.416 -20.621 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.963 9.284 -21.715 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.109 10.681 -20.622 1.00 0.00 H new ATOM 624 N LYS A 38 4.041 8.682 -21.912 1.00 0.00 N ATOM 625 CA LYS A 38 3.565 9.036 -23.238 1.00 0.00 C ATOM 626 C LYS A 38 2.041 9.164 -23.212 1.00 0.00 C ATOM 627 O LYS A 38 1.465 9.924 -23.990 1.00 0.00 O ATOM 628 CB LYS A 38 4.079 8.036 -24.276 1.00 0.00 C ATOM 629 CG LYS A 38 4.166 8.679 -25.662 1.00 0.00 C ATOM 630 CD LYS A 38 5.505 8.365 -26.330 1.00 0.00 C ATOM 631 CE LYS A 38 5.838 9.401 -27.404 1.00 0.00 C ATOM 632 NZ LYS A 38 7.305 9.526 -27.568 1.00 0.00 N ATOM 0 H LYS A 38 3.944 7.695 -21.673 1.00 0.00 H new ATOM 0 HA LYS A 38 3.962 10.006 -23.538 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.062 7.671 -23.978 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.416 7.172 -24.313 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.350 8.316 -26.287 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.044 9.759 -25.574 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.295 8.348 -25.579 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.468 7.372 -26.777 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.384 9.110 -28.351 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.413 10.367 -27.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.513 10.234 -28.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.731 9.825 -26.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.702 8.607 -27.851 1.00 0.00 H new ATOM 646 N PHE A 39 1.430 8.411 -22.309 1.00 0.00 N ATOM 647 CA PHE A 39 -0.016 8.432 -22.171 1.00 0.00 C ATOM 648 C PHE A 39 -0.476 9.673 -21.405 1.00 0.00 C ATOM 649 O PHE A 39 -1.599 10.141 -21.590 1.00 0.00 O ATOM 650 CB PHE A 39 -0.406 7.183 -21.377 1.00 0.00 C ATOM 651 CG PHE A 39 -1.185 6.146 -22.191 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.345 6.498 -22.808 1.00 0.00 C ATOM 653 CD2 PHE A 39 -0.716 4.875 -22.296 1.00 0.00 C ATOM 654 CE1 PHE A 39 -3.067 5.536 -23.562 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.438 3.912 -23.052 1.00 0.00 C ATOM 656 CZ PHE A 39 -2.598 4.263 -23.669 1.00 0.00 C ATOM 0 H PHE A 39 1.911 7.782 -21.665 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.484 8.452 -23.155 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.498 6.717 -20.985 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.008 7.483 -20.519 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.716 7.509 -22.724 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.205 4.597 -21.805 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.989 5.815 -24.051 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.066 2.902 -23.136 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.147 3.532 -24.244 1.00 0.00 H new ATOM 666 N LEU A 40 0.414 10.172 -20.561 1.00 0.00 N ATOM 667 CA LEU A 40 0.114 11.352 -19.766 1.00 0.00 C ATOM 668 C LEU A 40 -0.756 12.306 -20.586 1.00 0.00 C ATOM 669 O LEU A 40 -1.901 12.575 -20.222 1.00 0.00 O ATOM 670 CB LEU A 40 1.403 11.989 -19.245 1.00 0.00 C ATOM 671 CG LEU A 40 1.601 11.959 -17.729 1.00 0.00 C ATOM 672 CD1 LEU A 40 2.010 10.562 -17.258 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.601 13.029 -17.284 1.00 0.00 C ATOM 0 H LEU A 40 1.344 9.781 -20.410 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.459 11.079 -18.880 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.249 11.484 -19.712 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.430 13.028 -19.574 1.00 0.00 H new ATOM 0 HG LEU A 40 0.648 12.193 -17.256 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.145 10.568 -16.176 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.232 9.846 -17.523 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.945 10.275 -17.738 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.723 12.985 -16.202 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.563 12.851 -17.765 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.230 14.014 -17.568 1.00 0.00 H new ATOM 685 N GLU A 41 -0.183 12.789 -21.678 1.00 0.00 N ATOM 686 CA GLU A 41 -0.892 13.708 -22.552 1.00 0.00 C ATOM 687 C GLU A 41 -2.327 13.227 -22.775 1.00 0.00 C ATOM 688 O GLU A 41 -3.275 13.991 -22.604 1.00 0.00 O ATOM 689 CB GLU A 41 -0.157 13.875 -23.884 1.00 0.00 C ATOM 690 CG GLU A 41 0.158 12.514 -24.511 1.00 0.00 C ATOM 691 CD GLU A 41 1.323 12.622 -25.496 1.00 0.00 C ATOM 692 OE1 GLU A 41 1.199 13.437 -26.436 1.00 0.00 O ATOM 693 OE2 GLU A 41 2.313 11.887 -25.287 1.00 0.00 O ATOM 0 H GLU A 41 0.765 12.561 -21.978 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.927 14.684 -22.069 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.768 14.463 -24.569 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.768 14.430 -23.726 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.404 11.797 -23.728 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.724 12.134 -25.026 1.00 0.00 H new ATOM 700 N GLU A 42 -2.441 11.961 -23.150 1.00 0.00 N ATOM 701 CA GLU A 42 -3.745 11.370 -23.398 1.00 0.00 C ATOM 702 C GLU A 42 -4.459 11.086 -22.075 1.00 0.00 C ATOM 703 O GLU A 42 -3.882 11.265 -21.003 1.00 0.00 O ATOM 704 CB GLU A 42 -3.620 10.097 -24.237 1.00 0.00 C ATOM 705 CG GLU A 42 -4.252 10.286 -25.618 1.00 0.00 C ATOM 706 CD GLU A 42 -3.457 9.539 -26.691 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.183 8.341 -26.463 1.00 0.00 O ATOM 708 OE2 GLU A 42 -3.142 10.183 -27.715 1.00 0.00 O ATOM 0 H GLU A 42 -1.652 11.329 -23.288 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.343 12.083 -23.966 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.569 9.832 -24.348 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.105 9.268 -23.721 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.280 9.924 -25.604 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.291 11.348 -25.862 1.00 0.00 H new ATOM 715 N HIS A 43 -5.704 10.646 -22.192 1.00 0.00 N ATOM 716 CA HIS A 43 -6.501 10.334 -21.019 1.00 0.00 C ATOM 717 C HIS A 43 -7.257 11.585 -20.566 1.00 0.00 C ATOM 718 O HIS A 43 -6.679 12.666 -20.475 1.00 0.00 O ATOM 719 CB HIS A 43 -5.631 9.735 -19.912 1.00 0.00 C ATOM 720 CG HIS A 43 -6.390 8.873 -18.932 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.359 9.377 -18.084 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.310 7.536 -18.675 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.836 8.379 -17.354 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.185 7.239 -17.722 1.00 0.00 N ATOM 0 H HIS A 43 -6.180 10.498 -23.082 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.241 9.574 -21.270 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.841 9.139 -20.368 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.146 10.545 -19.367 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.656 10.351 -18.030 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.647 6.837 -19.164 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.605 8.455 -16.600 1.00 0.00 H new ATOM 733 N PRO A 44 -8.575 11.391 -20.287 1.00 0.00 N ATOM 734 CA PRO A 44 -9.416 12.490 -19.846 1.00 0.00 C ATOM 735 C PRO A 44 -9.125 12.852 -18.389 1.00 0.00 C ATOM 736 O PRO A 44 -8.858 14.012 -18.075 1.00 0.00 O ATOM 737 CB PRO A 44 -10.841 12.007 -20.065 1.00 0.00 C ATOM 738 CG PRO A 44 -10.755 10.494 -20.181 1.00 0.00 C ATOM 739 CD PRO A 44 -9.294 10.124 -20.383 1.00 0.00 C ATOM 0 HA PRO A 44 -9.232 13.410 -20.401 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.484 12.299 -19.235 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.267 12.444 -20.968 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.148 10.019 -19.282 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.358 10.140 -21.018 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.956 9.418 -19.625 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.135 9.651 -21.352 1.00 0.00 H new ATOM 747 N GLY A 45 -9.187 11.840 -17.535 1.00 0.00 N ATOM 748 CA GLY A 45 -8.934 12.038 -16.119 1.00 0.00 C ATOM 749 C GLY A 45 -7.824 13.068 -15.899 1.00 0.00 C ATOM 750 O GLY A 45 -8.026 14.066 -15.208 1.00 0.00 O ATOM 0 H GLY A 45 -9.409 10.880 -17.798 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.847 12.371 -15.626 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.652 11.090 -15.660 1.00 0.00 H new ATOM 754 N GLY A 46 -6.677 12.791 -16.500 1.00 0.00 N ATOM 755 CA GLY A 46 -5.534 13.682 -16.379 1.00 0.00 C ATOM 756 C GLY A 46 -4.234 12.888 -16.233 1.00 0.00 C ATOM 757 O GLY A 46 -4.251 11.733 -15.812 1.00 0.00 O ATOM 0 H GLY A 46 -6.514 11.963 -17.072 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.475 14.325 -17.257 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.666 14.333 -15.515 1.00 0.00 H new ATOM 761 N GLU A 47 -3.137 13.541 -16.588 1.00 0.00 N ATOM 762 CA GLU A 47 -1.831 12.911 -16.501 1.00 0.00 C ATOM 763 C GLU A 47 -1.744 12.039 -15.248 1.00 0.00 C ATOM 764 O GLU A 47 -1.294 10.896 -15.312 1.00 0.00 O ATOM 765 CB GLU A 47 -0.715 13.958 -16.519 1.00 0.00 C ATOM 766 CG GLU A 47 -0.350 14.347 -17.953 1.00 0.00 C ATOM 767 CD GLU A 47 -0.711 15.807 -18.235 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.802 16.219 -17.783 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.111 16.478 -18.895 1.00 0.00 O ATOM 0 H GLU A 47 -3.126 14.500 -16.936 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.699 12.272 -17.374 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.033 14.843 -15.968 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.165 13.565 -16.010 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.717 14.195 -18.114 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.874 13.697 -18.654 1.00 0.00 H new ATOM 776 N GLU A 48 -2.181 12.611 -14.136 1.00 0.00 N ATOM 777 CA GLU A 48 -2.159 11.899 -12.869 1.00 0.00 C ATOM 778 C GLU A 48 -2.870 10.551 -13.006 1.00 0.00 C ATOM 779 O GLU A 48 -2.326 9.517 -12.619 1.00 0.00 O ATOM 780 CB GLU A 48 -2.787 12.741 -11.756 1.00 0.00 C ATOM 781 CG GLU A 48 -1.853 12.834 -10.548 1.00 0.00 C ATOM 782 CD GLU A 48 -2.190 14.057 -9.690 1.00 0.00 C ATOM 783 OE1 GLU A 48 -2.180 15.169 -10.259 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.449 13.850 -8.484 1.00 0.00 O ATOM 0 H GLU A 48 -2.553 13.560 -14.086 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.120 11.713 -12.596 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.005 13.741 -12.130 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.737 12.300 -11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.938 11.929 -9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.819 12.896 -10.887 1.00 0.00 H new ATOM 791 N VAL A 49 -4.073 10.606 -13.556 1.00 0.00 N ATOM 792 CA VAL A 49 -4.864 9.401 -13.748 1.00 0.00 C ATOM 793 C VAL A 49 -3.936 8.238 -14.101 1.00 0.00 C ATOM 794 O VAL A 49 -4.197 7.095 -13.727 1.00 0.00 O ATOM 795 CB VAL A 49 -5.944 9.648 -14.803 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.370 9.515 -16.215 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.131 8.704 -14.604 1.00 0.00 C ATOM 0 H VAL A 49 -4.520 11.465 -13.875 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.383 9.133 -12.828 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.304 10.670 -14.681 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.158 9.695 -16.946 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.572 10.245 -16.354 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.970 8.510 -16.352 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.884 8.901 -15.367 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.792 7.671 -14.686 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.564 8.866 -13.617 1.00 0.00 H new ATOM 807 N LEU A 50 -2.871 8.568 -14.817 1.00 0.00 N ATOM 808 CA LEU A 50 -1.903 7.565 -15.225 1.00 0.00 C ATOM 809 C LEU A 50 -0.735 7.561 -14.238 1.00 0.00 C ATOM 810 O LEU A 50 -0.196 6.503 -13.914 1.00 0.00 O ATOM 811 CB LEU A 50 -1.480 7.788 -16.679 1.00 0.00 C ATOM 812 CG LEU A 50 -2.617 7.959 -17.689 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.464 9.267 -18.469 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.715 6.747 -18.616 1.00 0.00 C ATOM 0 H LEU A 50 -2.657 9.517 -15.125 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.349 6.571 -15.197 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.847 8.674 -16.721 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.866 6.943 -16.992 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.556 8.019 -17.139 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.284 9.365 -19.180 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.482 10.108 -17.776 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.516 9.261 -19.007 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.531 6.895 -19.323 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.779 6.629 -19.161 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.905 5.851 -18.025 1.00 0.00 H new ATOM 826 N ARG A 51 -0.375 8.754 -13.789 1.00 0.00 N ATOM 827 CA ARG A 51 0.721 8.901 -12.847 1.00 0.00 C ATOM 828 C ARG A 51 0.358 8.257 -11.508 1.00 0.00 C ATOM 829 O ARG A 51 1.183 7.580 -10.896 1.00 0.00 O ATOM 830 CB ARG A 51 1.059 10.376 -12.622 1.00 0.00 C ATOM 831 CG ARG A 51 2.549 10.558 -12.325 1.00 0.00 C ATOM 832 CD ARG A 51 2.772 10.966 -10.868 1.00 0.00 C ATOM 833 NE ARG A 51 4.049 11.704 -10.738 1.00 0.00 N ATOM 834 CZ ARG A 51 4.665 11.942 -9.573 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.125 11.502 -8.427 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.820 12.621 -9.551 1.00 0.00 N ATOM 0 H ARG A 51 -0.824 9.629 -14.061 1.00 0.00 H new ATOM 0 HA ARG A 51 1.593 8.401 -13.270 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.787 10.954 -13.505 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.469 10.766 -11.792 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.081 9.629 -12.532 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.965 11.318 -12.987 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.946 11.589 -10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.788 10.081 -10.232 1.00 0.00 H new ATOM 0 HE ARG A 51 4.487 12.053 -11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.245 10.986 -8.443 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.594 11.683 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.231 12.957 -10.422 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.288 12.802 -8.663 1.00 0.00 H new ATOM 850 N GLU A 52 -0.877 8.491 -11.091 1.00 0.00 N ATOM 851 CA GLU A 52 -1.360 7.943 -9.833 1.00 0.00 C ATOM 852 C GLU A 52 -1.355 6.413 -9.887 1.00 0.00 C ATOM 853 O GLU A 52 -1.426 5.752 -8.852 1.00 0.00 O ATOM 854 CB GLU A 52 -2.754 8.476 -9.501 1.00 0.00 C ATOM 855 CG GLU A 52 -3.797 7.928 -10.478 1.00 0.00 C ATOM 856 CD GLU A 52 -5.113 8.703 -10.365 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.080 9.920 -10.647 1.00 0.00 O ATOM 858 OE2 GLU A 52 -6.120 8.059 -9.999 1.00 0.00 O ATOM 0 H GLU A 52 -1.559 9.053 -11.601 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.688 8.263 -9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.022 8.195 -8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.750 9.565 -9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.417 7.996 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.974 6.872 -10.273 1.00 0.00 H new ATOM 865 N GLN A 53 -1.273 5.895 -11.103 1.00 0.00 N ATOM 866 CA GLN A 53 -1.259 4.455 -11.304 1.00 0.00 C ATOM 867 C GLN A 53 0.152 3.983 -11.662 1.00 0.00 C ATOM 868 O GLN A 53 0.482 2.812 -11.482 1.00 0.00 O ATOM 869 CB GLN A 53 -2.265 4.043 -12.381 1.00 0.00 C ATOM 870 CG GLN A 53 -1.962 4.740 -13.709 1.00 0.00 C ATOM 871 CD GLN A 53 -2.997 4.362 -14.773 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.839 3.409 -15.517 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.058 5.163 -14.802 1.00 0.00 N ATOM 0 H GLN A 53 -1.216 6.446 -11.960 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.556 3.974 -10.372 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.234 2.962 -12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.275 4.295 -12.056 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.960 5.820 -13.565 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.965 4.462 -14.051 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.126 5.944 -14.149 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.804 4.997 -15.477 1.00 0.00 H new ATOM 882 N ALA A 54 0.946 4.919 -12.162 1.00 0.00 N ATOM 883 CA ALA A 54 2.313 4.612 -12.547 1.00 0.00 C ATOM 884 C ALA A 54 3.109 4.206 -11.304 1.00 0.00 C ATOM 885 O ALA A 54 3.121 4.927 -10.308 1.00 0.00 O ATOM 886 CB ALA A 54 2.925 5.819 -13.262 1.00 0.00 C ATOM 0 H ALA A 54 0.669 5.890 -12.309 1.00 0.00 H new ATOM 0 HA ALA A 54 2.337 3.773 -13.243 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.951 5.589 -13.551 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.340 6.050 -14.152 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.921 6.679 -12.592 1.00 0.00 H new ATOM 892 N GLY A 55 3.754 3.054 -11.404 1.00 0.00 N ATOM 893 CA GLY A 55 4.549 2.543 -10.302 1.00 0.00 C ATOM 894 C GLY A 55 4.184 1.090 -9.988 1.00 0.00 C ATOM 895 O GLY A 55 4.516 0.581 -8.918 1.00 0.00 O ATOM 0 H GLY A 55 3.742 2.459 -12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.608 2.610 -10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.390 3.160 -9.418 1.00 0.00 H new ATOM 899 N GLY A 56 3.504 0.466 -10.939 1.00 0.00 N ATOM 900 CA GLY A 56 3.090 -0.916 -10.776 1.00 0.00 C ATOM 901 C GLY A 56 1.887 -1.237 -11.667 1.00 0.00 C ATOM 902 O GLY A 56 1.488 -0.419 -12.496 1.00 0.00 O ATOM 0 H GLY A 56 3.230 0.892 -11.824 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.918 -1.579 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.834 -1.102 -9.733 1.00 0.00 H new ATOM 906 N ASP A 57 1.342 -2.427 -11.465 1.00 0.00 N ATOM 907 CA ASP A 57 0.193 -2.865 -12.239 1.00 0.00 C ATOM 908 C ASP A 57 -0.993 -1.942 -11.950 1.00 0.00 C ATOM 909 O ASP A 57 -1.331 -1.704 -10.792 1.00 0.00 O ATOM 910 CB ASP A 57 -0.215 -4.291 -11.861 1.00 0.00 C ATOM 911 CG ASP A 57 -1.582 -4.733 -12.388 1.00 0.00 C ATOM 912 OD1 ASP A 57 -1.806 -4.556 -13.605 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.371 -5.239 -11.562 1.00 0.00 O ATOM 0 H ASP A 57 1.675 -3.102 -10.776 1.00 0.00 H new ATOM 0 HA ASP A 57 0.466 -2.836 -13.294 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.542 -4.981 -12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.216 -4.377 -10.774 1.00 0.00 H new ATOM 918 N ALA A 58 -1.593 -1.448 -13.023 1.00 0.00 N ATOM 919 CA ALA A 58 -2.733 -0.557 -12.898 1.00 0.00 C ATOM 920 C ALA A 58 -4.008 -1.311 -13.283 1.00 0.00 C ATOM 921 O ALA A 58 -5.115 -0.829 -13.042 1.00 0.00 O ATOM 922 CB ALA A 58 -2.508 0.684 -13.764 1.00 0.00 C ATOM 0 H ALA A 58 -1.311 -1.648 -13.983 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.846 -0.221 -11.867 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.363 1.353 -13.670 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.606 1.200 -13.434 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.394 0.385 -14.806 1.00 0.00 H new ATOM 928 N THR A 59 -3.812 -2.480 -13.874 1.00 0.00 N ATOM 929 CA THR A 59 -4.931 -3.304 -14.293 1.00 0.00 C ATOM 930 C THR A 59 -5.904 -3.512 -13.131 1.00 0.00 C ATOM 931 O THR A 59 -7.118 -3.404 -13.306 1.00 0.00 O ATOM 932 CB THR A 59 -4.371 -4.612 -14.857 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.267 -4.948 -15.912 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.500 -5.777 -13.874 1.00 0.00 C ATOM 0 H THR A 59 -2.893 -2.876 -14.073 1.00 0.00 H new ATOM 0 HA THR A 59 -5.509 -2.816 -15.078 1.00 0.00 H new ATOM 0 HB THR A 59 -3.322 -4.473 -15.120 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.968 -4.266 -15.976 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.088 -6.680 -14.324 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.953 -5.544 -12.960 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.552 -5.938 -13.636 1.00 0.00 H new ATOM 942 N GLU A 60 -5.337 -3.807 -11.971 1.00 0.00 N ATOM 943 CA GLU A 60 -6.141 -4.031 -10.780 1.00 0.00 C ATOM 944 C GLU A 60 -7.100 -2.861 -10.561 1.00 0.00 C ATOM 945 O GLU A 60 -8.079 -2.986 -9.825 1.00 0.00 O ATOM 946 CB GLU A 60 -5.253 -4.251 -9.555 1.00 0.00 C ATOM 947 CG GLU A 60 -4.313 -3.062 -9.338 1.00 0.00 C ATOM 948 CD GLU A 60 -4.593 -2.380 -7.999 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.790 -2.263 -7.660 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.603 -1.988 -7.343 1.00 0.00 O ATOM 0 H GLU A 60 -4.331 -3.896 -11.829 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.731 -4.935 -10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.875 -4.393 -8.671 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.669 -5.162 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.278 -3.402 -9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.436 -2.344 -10.149 1.00 0.00 H new ATOM 957 N ASN A 61 -6.788 -1.749 -11.211 1.00 0.00 N ATOM 958 CA ASN A 61 -7.611 -0.558 -11.095 1.00 0.00 C ATOM 959 C ASN A 61 -8.417 -0.374 -12.383 1.00 0.00 C ATOM 960 O ASN A 61 -9.641 -0.252 -12.341 1.00 0.00 O ATOM 961 CB ASN A 61 -6.749 0.690 -10.894 1.00 0.00 C ATOM 962 CG ASN A 61 -7.143 1.428 -9.614 1.00 0.00 C ATOM 963 OD1 ASN A 61 -6.402 1.483 -8.645 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.347 1.989 -9.662 1.00 0.00 N ATOM 0 H ASN A 61 -5.976 -1.648 -11.820 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.268 -0.684 -10.235 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.698 0.406 -10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.860 1.355 -11.750 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.702 2.504 -8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.916 1.905 -10.505 1.00 0.00 H new ATOM 971 N PHE A 62 -7.699 -0.358 -13.496 1.00 0.00 N ATOM 972 CA PHE A 62 -8.332 -0.190 -14.793 1.00 0.00 C ATOM 973 C PHE A 62 -9.549 -1.107 -14.932 1.00 0.00 C ATOM 974 O PHE A 62 -10.436 -0.849 -15.743 1.00 0.00 O ATOM 975 CB PHE A 62 -7.295 -0.575 -15.850 1.00 0.00 C ATOM 976 CG PHE A 62 -7.757 -1.683 -16.799 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.714 -2.983 -16.401 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.209 -1.367 -18.043 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.143 -4.009 -17.283 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.638 -2.395 -18.924 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.595 -3.694 -18.525 1.00 0.00 C ATOM 0 H PHE A 62 -6.684 -0.459 -13.527 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.671 0.839 -14.911 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.042 0.309 -16.435 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.382 -0.897 -15.349 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.354 -3.234 -15.414 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.241 -0.335 -18.360 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.110 -5.041 -16.967 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.998 -2.145 -19.911 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.920 -4.476 -19.195 1.00 0.00 H new ATOM 991 N GLU A 63 -9.553 -2.159 -14.125 1.00 0.00 N ATOM 992 CA GLU A 63 -10.647 -3.116 -14.149 1.00 0.00 C ATOM 993 C GLU A 63 -11.896 -2.508 -13.507 1.00 0.00 C ATOM 994 O GLU A 63 -12.986 -2.585 -14.071 1.00 0.00 O ATOM 995 CB GLU A 63 -10.251 -4.418 -13.450 1.00 0.00 C ATOM 996 CG GLU A 63 -9.735 -5.447 -14.459 1.00 0.00 C ATOM 997 CD GLU A 63 -10.887 -6.038 -15.274 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.891 -5.315 -15.444 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.736 -7.200 -15.711 1.00 0.00 O ATOM 0 H GLU A 63 -8.817 -2.369 -13.451 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.874 -3.354 -15.188 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.481 -4.216 -12.705 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.110 -4.825 -12.917 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.015 -4.976 -15.128 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.209 -6.244 -13.934 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.695 -1.919 -12.338 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.793 -1.297 -11.615 1.00 0.00 C ATOM 1008 C ASP A 64 -13.393 -0.179 -12.470 1.00 0.00 C ATOM 1009 O ASP A 64 -14.610 -0.113 -12.646 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.307 -0.680 -10.302 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.188 0.444 -9.751 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.411 0.209 -9.651 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.618 1.513 -9.444 1.00 0.00 O ATOM 0 H ASP A 64 -10.789 -1.859 -11.873 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.534 -2.066 -11.400 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.237 -1.468 -9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.300 -0.292 -10.451 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.515 0.671 -12.977 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.943 1.783 -13.809 1.00 0.00 C ATOM 1020 C VAL A 65 -13.563 1.240 -15.099 1.00 0.00 C ATOM 1021 O VAL A 65 -14.125 1.998 -15.889 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.769 2.731 -14.063 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.434 1.992 -13.949 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.902 3.417 -15.423 1.00 0.00 C ATOM 0 H VAL A 65 -11.508 0.613 -12.828 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.710 2.367 -13.300 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.791 3.504 -13.295 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.616 2.688 -14.134 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.335 1.573 -12.948 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.399 1.188 -14.684 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.055 4.085 -15.578 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.919 2.664 -16.210 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.827 3.992 -15.451 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.437 -0.068 -15.273 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.978 -0.721 -16.453 1.00 0.00 C ATOM 1036 C GLY A 66 -13.672 0.089 -17.716 1.00 0.00 C ATOM 1037 O GLY A 66 -14.569 0.688 -18.305 1.00 0.00 O ATOM 0 H GLY A 66 -12.968 -0.693 -14.617 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.554 -1.721 -16.546 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.056 -0.840 -16.345 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.401 0.078 -18.092 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.967 0.804 -19.274 1.00 0.00 C ATOM 1043 C HIS A 67 -12.693 0.260 -20.506 1.00 0.00 C ATOM 1044 O HIS A 67 -13.488 -0.672 -20.402 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.444 0.751 -19.413 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.714 1.742 -18.537 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.267 1.432 -17.265 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.356 3.039 -18.765 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.671 2.502 -16.759 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.728 3.496 -17.690 1.00 0.00 N ATOM 0 H HIS A 67 -11.660 -0.421 -17.600 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.230 1.857 -19.176 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.102 -0.255 -19.170 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.177 0.936 -20.454 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.377 0.533 -16.796 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.551 3.599 -19.668 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.219 2.574 -15.781 1.00 0.00 H new ATOM 1059 N SER A 68 -12.393 0.868 -21.645 1.00 0.00 N ATOM 1060 CA SER A 68 -13.007 0.455 -22.896 1.00 0.00 C ATOM 1061 C SER A 68 -11.999 -0.325 -23.742 1.00 0.00 C ATOM 1062 O SER A 68 -10.796 -0.085 -23.657 1.00 0.00 O ATOM 1063 CB SER A 68 -13.532 1.664 -23.675 1.00 0.00 C ATOM 1064 OG SER A 68 -12.519 2.260 -24.480 1.00 0.00 O ATOM 0 H SER A 68 -11.734 1.642 -21.728 1.00 0.00 H new ATOM 0 HA SER A 68 -13.854 -0.192 -22.665 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.363 1.354 -24.308 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.922 2.404 -22.976 1.00 0.00 H new ATOM 0 HG SER A 68 -12.914 2.965 -25.034 1.00 0.00 H new ATOM 1070 N THR A 69 -12.527 -1.241 -24.540 1.00 0.00 N ATOM 1071 CA THR A 69 -11.690 -2.057 -25.401 1.00 0.00 C ATOM 1072 C THR A 69 -10.772 -1.172 -26.246 1.00 0.00 C ATOM 1073 O THR A 69 -9.719 -1.620 -26.701 1.00 0.00 O ATOM 1074 CB THR A 69 -12.604 -2.956 -26.237 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.929 -4.032 -25.359 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.863 -3.630 -27.394 1.00 0.00 C ATOM 0 H THR A 69 -13.526 -1.436 -24.608 1.00 0.00 H new ATOM 0 HA THR A 69 -11.028 -2.696 -24.817 1.00 0.00 H new ATOM 0 HB THR A 69 -13.432 -2.367 -26.631 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.521 -4.663 -25.820 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.557 -4.256 -27.955 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.448 -2.868 -28.053 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.056 -4.247 -26.999 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.202 0.067 -26.431 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.431 1.019 -27.213 1.00 0.00 C ATOM 1086 C ASP A 70 -9.234 1.497 -26.390 1.00 0.00 C ATOM 1087 O ASP A 70 -8.109 1.531 -26.886 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.275 2.243 -27.578 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.593 3.240 -28.515 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -10.218 2.810 -29.626 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.461 4.412 -28.099 1.00 0.00 O ATOM 0 H ASP A 70 -12.075 0.434 -26.053 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.105 0.521 -28.126 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.199 1.903 -28.044 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.553 2.761 -26.660 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.516 1.856 -25.145 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.477 2.331 -24.249 1.00 0.00 C ATOM 1098 C ALA A 71 -7.360 1.287 -24.171 1.00 0.00 C ATOM 1099 O ALA A 71 -6.181 1.625 -24.266 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.084 2.637 -22.879 1.00 0.00 C ATOM 0 H ALA A 71 -10.450 1.827 -24.737 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.039 3.256 -24.626 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.304 2.994 -22.207 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.851 3.404 -22.984 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.531 1.731 -22.468 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.771 0.039 -24.000 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.821 -1.057 -23.908 1.00 0.00 C ATOM 1108 C ARG A 72 -6.026 -1.179 -25.210 1.00 0.00 C ATOM 1109 O ARG A 72 -4.797 -1.174 -25.193 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.533 -2.381 -23.627 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.468 -2.255 -22.422 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.048 -3.616 -22.033 1.00 0.00 C ATOM 1113 NE ARG A 72 -8.035 -4.408 -21.301 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.073 -5.741 -21.171 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.076 -6.439 -21.723 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.111 -6.376 -20.489 1.00 0.00 N ATOM 0 H ARG A 72 -8.750 -0.238 -23.923 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.143 -0.841 -23.082 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.104 -2.685 -24.505 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.796 -3.162 -23.440 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.923 -1.833 -21.577 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.278 -1.564 -22.656 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.933 -3.479 -21.412 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.366 -4.154 -22.926 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.259 -3.908 -20.868 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.809 -5.955 -22.241 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.106 -7.454 -21.625 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.349 -5.845 -20.068 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.141 -7.391 -20.390 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.761 -1.289 -26.307 1.00 0.00 N ATOM 1131 CA GLU A 73 -6.141 -1.414 -27.615 1.00 0.00 C ATOM 1132 C GLU A 73 -5.137 -0.281 -27.835 1.00 0.00 C ATOM 1133 O GLU A 73 -4.024 -0.516 -28.307 1.00 0.00 O ATOM 1134 CB GLU A 73 -7.196 -1.434 -28.723 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.931 -2.573 -29.710 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.835 -2.454 -30.939 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -7.862 -1.346 -31.518 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.478 -3.473 -31.272 1.00 0.00 O ATOM 0 H GLU A 73 -7.781 -1.294 -26.317 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.605 -2.362 -27.653 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.187 -1.551 -28.285 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.192 -0.481 -29.252 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.886 -2.555 -30.020 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.102 -3.531 -29.220 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.564 0.923 -27.485 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.715 2.092 -27.640 1.00 0.00 C ATOM 1147 C LEU A 74 -3.440 1.904 -26.816 1.00 0.00 C ATOM 1148 O LEU A 74 -2.360 2.317 -27.235 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.490 3.365 -27.292 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.906 4.219 -26.165 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.730 5.061 -26.666 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.989 5.079 -25.510 1.00 0.00 C ATOM 0 H LEU A 74 -6.487 1.115 -27.095 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.409 2.206 -28.680 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.560 3.981 -28.189 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.507 3.084 -27.018 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.518 3.550 -25.397 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.334 5.658 -25.845 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.948 4.404 -27.047 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.069 5.721 -27.464 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.547 5.676 -24.712 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.430 5.740 -26.256 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.763 4.434 -25.094 1.00 0.00 H new ATOM 1164 N SER A 75 -3.608 1.279 -25.659 1.00 0.00 N ATOM 1165 CA SER A 75 -2.482 1.032 -24.773 1.00 0.00 C ATOM 1166 C SER A 75 -1.484 0.088 -25.447 1.00 0.00 C ATOM 1167 O SER A 75 -0.282 0.177 -25.205 1.00 0.00 O ATOM 1168 CB SER A 75 -2.952 0.446 -23.440 1.00 0.00 C ATOM 1169 OG SER A 75 -4.332 0.702 -23.199 1.00 0.00 O ATOM 0 H SER A 75 -4.505 0.937 -25.315 1.00 0.00 H new ATOM 0 HA SER A 75 -1.990 1.983 -24.568 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.777 -0.630 -23.436 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.358 0.869 -22.629 1.00 0.00 H new ATOM 0 HG SER A 75 -4.590 1.542 -23.634 1.00 0.00 H new ATOM 1175 N LYS A 76 -2.020 -0.794 -26.277 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.191 -1.752 -26.988 1.00 0.00 C ATOM 1177 C LYS A 76 -0.182 -1.001 -27.859 1.00 0.00 C ATOM 1178 O LYS A 76 0.804 -1.580 -28.312 1.00 0.00 O ATOM 1179 CB LYS A 76 -2.061 -2.740 -27.768 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.039 -2.427 -29.266 1.00 0.00 C ATOM 1181 CD LYS A 76 -3.156 -3.171 -29.998 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.581 -4.126 -31.047 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.768 -3.573 -32.408 1.00 0.00 N ATOM 0 H LYS A 76 -3.018 -0.865 -26.473 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.618 -2.355 -26.284 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.704 -3.756 -27.600 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.086 -2.697 -27.399 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.152 -1.354 -29.418 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.073 -2.709 -29.686 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.756 -3.731 -29.281 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.821 -2.454 -30.479 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.520 -4.289 -30.857 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.071 -5.097 -30.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.373 -4.233 -33.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.783 -3.440 -32.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.280 -2.658 -32.481 1.00 0.00 H new ATOM 1197 N THR A 77 -0.463 0.277 -28.066 1.00 0.00 N ATOM 1198 CA THR A 77 0.408 1.114 -28.874 1.00 0.00 C ATOM 1199 C THR A 77 1.457 1.797 -27.994 1.00 0.00 C ATOM 1200 O THR A 77 2.481 2.262 -28.492 1.00 0.00 O ATOM 1201 CB THR A 77 -0.470 2.097 -29.651 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.774 3.115 -28.702 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.834 1.505 -30.013 1.00 0.00 C ATOM 0 H THR A 77 -1.282 0.754 -27.688 1.00 0.00 H new ATOM 0 HA THR A 77 0.972 0.521 -29.594 1.00 0.00 H new ATOM 0 HB THR A 77 0.046 2.403 -30.561 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.626 2.910 -28.264 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.417 2.244 -30.563 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.693 0.619 -30.632 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.365 1.230 -29.102 1.00 0.00 H new ATOM 1211 N PHE A 78 1.164 1.838 -26.704 1.00 0.00 N ATOM 1212 CA PHE A 78 2.068 2.458 -25.750 1.00 0.00 C ATOM 1213 C PHE A 78 2.873 1.401 -24.990 1.00 0.00 C ATOM 1214 O PHE A 78 3.762 1.736 -24.210 1.00 0.00 O ATOM 1215 CB PHE A 78 1.206 3.238 -24.757 1.00 0.00 C ATOM 1216 CG PHE A 78 0.694 4.576 -25.293 1.00 0.00 C ATOM 1217 CD1 PHE A 78 -0.319 4.603 -26.199 1.00 0.00 C ATOM 1218 CD2 PHE A 78 1.252 5.739 -24.863 1.00 0.00 C ATOM 1219 CE1 PHE A 78 -0.794 5.845 -26.697 1.00 0.00 C ATOM 1220 CE2 PHE A 78 0.777 6.982 -25.362 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.236 7.007 -26.268 1.00 0.00 C ATOM 0 H PHE A 78 0.313 1.452 -26.296 1.00 0.00 H new ATOM 0 HA PHE A 78 2.772 3.106 -26.272 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.353 2.623 -24.471 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.786 3.419 -23.852 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.763 3.679 -26.540 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.056 5.718 -24.142 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.599 5.866 -27.417 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.221 7.906 -25.022 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.598 7.951 -26.647 1.00 0.00 H new ATOM 1231 N ILE A 79 2.530 0.147 -25.245 1.00 0.00 N ATOM 1232 CA ILE A 79 3.209 -0.961 -24.595 1.00 0.00 C ATOM 1233 C ILE A 79 4.716 -0.836 -24.823 1.00 0.00 C ATOM 1234 O ILE A 79 5.169 -0.733 -25.962 1.00 0.00 O ATOM 1235 CB ILE A 79 2.625 -2.296 -25.061 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.380 -2.664 -24.250 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.683 -3.400 -25.022 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.069 -4.158 -24.371 1.00 0.00 C ATOM 0 H ILE A 79 1.791 -0.126 -25.893 1.00 0.00 H new ATOM 0 HA ILE A 79 3.046 -0.927 -23.518 1.00 0.00 H new ATOM 0 HB ILE A 79 2.311 -2.188 -26.099 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.534 -2.405 -23.203 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.528 -2.082 -24.601 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.242 -4.339 -25.358 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.512 -3.133 -25.678 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.050 -3.516 -24.002 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.180 -4.393 -23.786 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.892 -4.409 -25.417 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.913 -4.737 -23.997 1.00 0.00 H new ATOM 1250 N ILE A 80 5.453 -0.846 -23.721 1.00 0.00 N ATOM 1251 CA ILE A 80 6.900 -0.735 -23.788 1.00 0.00 C ATOM 1252 C ILE A 80 7.529 -2.081 -23.419 1.00 0.00 C ATOM 1253 O ILE A 80 8.676 -2.349 -23.769 1.00 0.00 O ATOM 1254 CB ILE A 80 7.387 0.429 -22.922 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.457 0.655 -21.730 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.564 1.698 -23.760 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.671 -0.414 -20.657 1.00 0.00 C ATOM 0 H ILE A 80 5.075 -0.929 -22.777 1.00 0.00 H new ATOM 0 HA ILE A 80 7.218 -0.503 -24.804 1.00 0.00 H new ATOM 0 HB ILE A 80 8.366 0.168 -22.520 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.638 1.643 -21.306 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.420 0.637 -22.065 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.911 2.510 -23.121 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.297 1.516 -24.546 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.610 1.972 -24.211 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.997 -0.230 -19.820 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.466 -1.398 -21.078 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.703 -0.377 -20.307 1.00 0.00 H new ATOM 1269 N GLY A 81 6.748 -2.889 -22.718 1.00 0.00 N ATOM 1270 CA GLY A 81 7.213 -4.200 -22.298 1.00 0.00 C ATOM 1271 C GLY A 81 6.107 -4.968 -21.572 1.00 0.00 C ATOM 1272 O GLY A 81 4.924 -4.733 -21.811 1.00 0.00 O ATOM 0 H GLY A 81 5.796 -2.661 -22.430 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.544 -4.768 -23.167 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.076 -4.090 -21.641 1.00 0.00 H new ATOM 1276 N GLU A 82 6.532 -5.869 -20.699 1.00 0.00 N ATOM 1277 CA GLU A 82 5.591 -6.674 -19.936 1.00 0.00 C ATOM 1278 C GLU A 82 6.214 -7.097 -18.605 1.00 0.00 C ATOM 1279 O GLU A 82 7.436 -7.098 -18.458 1.00 0.00 O ATOM 1280 CB GLU A 82 5.136 -7.893 -20.741 1.00 0.00 C ATOM 1281 CG GLU A 82 5.239 -7.629 -22.245 1.00 0.00 C ATOM 1282 CD GLU A 82 4.906 -8.889 -23.047 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.619 -9.895 -22.844 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.947 -8.816 -23.844 1.00 0.00 O ATOM 0 H GLU A 82 7.514 -6.060 -20.502 1.00 0.00 H new ATOM 0 HA GLU A 82 4.709 -6.068 -19.726 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.748 -8.756 -20.477 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.107 -8.141 -20.482 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.558 -6.825 -22.524 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.246 -7.293 -22.491 1.00 0.00 H new ATOM 1291 N LEU A 83 5.348 -7.448 -17.668 1.00 0.00 N ATOM 1292 CA LEU A 83 5.796 -7.873 -16.352 1.00 0.00 C ATOM 1293 C LEU A 83 6.556 -9.195 -16.480 1.00 0.00 C ATOM 1294 O LEU A 83 6.036 -10.162 -17.033 1.00 0.00 O ATOM 1295 CB LEU A 83 4.618 -7.932 -15.377 1.00 0.00 C ATOM 1296 CG LEU A 83 4.979 -7.933 -13.891 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.477 -8.164 -13.689 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.500 -6.649 -13.209 1.00 0.00 C ATOM 0 H LEU A 83 4.336 -7.447 -17.793 1.00 0.00 H new ATOM 0 HA LEU A 83 6.490 -7.145 -15.932 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.967 -7.080 -15.572 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.039 -8.831 -15.591 1.00 0.00 H new ATOM 0 HG LEU A 83 4.459 -8.764 -13.415 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.705 -8.160 -12.623 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.758 -9.127 -14.116 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.037 -7.370 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.769 -6.676 -12.153 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.972 -5.788 -13.682 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.417 -6.568 -13.305 1.00 0.00 H new ATOM 1310 N HIS A 84 7.774 -9.193 -15.959 1.00 0.00 N ATOM 1311 CA HIS A 84 8.610 -10.380 -16.007 1.00 0.00 C ATOM 1312 C HIS A 84 8.120 -11.395 -14.972 1.00 0.00 C ATOM 1313 O HIS A 84 7.106 -11.176 -14.314 1.00 0.00 O ATOM 1314 CB HIS A 84 10.084 -10.013 -15.826 1.00 0.00 C ATOM 1315 CG HIS A 84 10.983 -10.515 -16.932 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.361 -10.565 -16.814 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.685 -10.986 -18.177 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.860 -11.046 -17.945 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.819 -11.306 -18.788 1.00 0.00 N ATOM 0 H HIS A 84 8.202 -8.388 -15.501 1.00 0.00 H new ATOM 0 HA HIS A 84 8.530 -10.847 -16.989 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.173 -8.928 -15.764 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.434 -10.416 -14.876 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.694 -11.082 -18.595 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.906 -11.204 -18.161 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.899 -11.684 -19.732 1.00 0.00 H new ATOM 1328 N PRO A 85 8.884 -12.515 -14.860 1.00 0.00 N ATOM 1329 CA PRO A 85 8.539 -13.566 -13.918 1.00 0.00 C ATOM 1330 C PRO A 85 8.877 -13.149 -12.485 1.00 0.00 C ATOM 1331 O PRO A 85 8.771 -13.953 -11.560 1.00 0.00 O ATOM 1332 CB PRO A 85 9.320 -14.783 -14.382 1.00 0.00 C ATOM 1333 CG PRO A 85 10.425 -14.252 -15.281 1.00 0.00 C ATOM 1334 CD PRO A 85 10.093 -12.810 -15.624 1.00 0.00 C ATOM 0 HA PRO A 85 7.470 -13.780 -13.899 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.735 -15.328 -13.534 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.677 -15.477 -14.923 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.389 -14.312 -14.777 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.501 -14.852 -16.188 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.908 -12.140 -15.350 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.925 -12.686 -16.694 1.00 0.00 H new ATOM 1342 N ASP A 86 9.277 -11.893 -12.346 1.00 0.00 N ATOM 1343 CA ASP A 86 9.631 -11.360 -11.042 1.00 0.00 C ATOM 1344 C ASP A 86 8.353 -11.050 -10.259 1.00 0.00 C ATOM 1345 O ASP A 86 8.374 -10.993 -9.030 1.00 0.00 O ATOM 1346 CB ASP A 86 10.431 -10.063 -11.175 1.00 0.00 C ATOM 1347 CG ASP A 86 10.095 -8.987 -10.140 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.685 -9.054 -9.041 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.257 -8.122 -10.472 1.00 0.00 O ATOM 0 H ASP A 86 9.364 -11.229 -13.116 1.00 0.00 H new ATOM 0 HA ASP A 86 10.237 -12.105 -10.526 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.492 -10.299 -11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.265 -9.652 -12.171 1.00 0.00 H new ATOM 1354 N ASP A 87 7.274 -10.859 -11.002 1.00 0.00 N ATOM 1355 CA ASP A 87 5.990 -10.556 -10.393 1.00 0.00 C ATOM 1356 C ASP A 87 4.895 -10.628 -11.458 1.00 0.00 C ATOM 1357 O ASP A 87 4.055 -9.734 -11.552 1.00 0.00 O ATOM 1358 CB ASP A 87 5.980 -9.145 -9.800 1.00 0.00 C ATOM 1359 CG ASP A 87 6.718 -8.998 -8.468 1.00 0.00 C ATOM 1360 OD1 ASP A 87 6.103 -9.345 -7.437 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.881 -8.542 -8.511 1.00 0.00 O ATOM 0 H ASP A 87 7.262 -10.908 -12.021 1.00 0.00 H new ATOM 0 HA ASP A 87 5.814 -11.282 -9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.425 -8.461 -10.522 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.945 -8.833 -9.661 1.00 0.00 H new ATOM 1366 N ARG A 88 4.938 -11.701 -12.234 1.00 0.00 N ATOM 1367 CA ARG A 88 3.959 -11.902 -13.289 1.00 0.00 C ATOM 1368 C ARG A 88 2.622 -12.346 -12.696 1.00 0.00 C ATOM 1369 O ARG A 88 1.687 -11.552 -12.597 1.00 0.00 O ATOM 1370 CB ARG A 88 4.439 -12.955 -14.291 1.00 0.00 C ATOM 1371 CG ARG A 88 4.799 -12.310 -15.632 1.00 0.00 C ATOM 1372 CD ARG A 88 5.879 -13.119 -16.356 1.00 0.00 C ATOM 1373 NE ARG A 88 5.274 -13.889 -17.466 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.957 -14.341 -18.527 1.00 0.00 C ATOM 1375 NH1 ARG A 88 7.271 -14.100 -18.628 1.00 0.00 N ATOM 1376 NH2 ARG A 88 5.327 -15.031 -19.486 1.00 0.00 N ATOM 0 H ARG A 88 5.636 -12.441 -12.153 1.00 0.00 H new ATOM 0 HA ARG A 88 3.832 -10.952 -13.808 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.308 -13.476 -13.889 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.660 -13.703 -14.440 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.909 -12.242 -16.258 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.151 -11.292 -15.467 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.648 -12.450 -16.743 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.368 -13.797 -15.656 1.00 0.00 H new ATOM 0 HE ARG A 88 4.275 -14.088 -17.421 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.750 -13.573 -17.898 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.792 -14.443 -19.435 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.326 -15.213 -19.410 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.848 -15.374 -20.293 1.00 0.00 H new ATOM 1390 N SER A 89 2.572 -13.615 -12.314 1.00 0.00 N ATOM 1391 CA SER A 89 1.364 -14.174 -11.733 1.00 0.00 C ATOM 1392 C SER A 89 0.959 -13.371 -10.495 1.00 0.00 C ATOM 1393 O SER A 89 -0.150 -13.528 -9.983 1.00 0.00 O ATOM 1394 CB SER A 89 1.559 -15.647 -11.368 1.00 0.00 C ATOM 1395 OG SER A 89 0.358 -16.398 -11.519 1.00 0.00 O ATOM 0 H SER A 89 3.349 -14.271 -12.396 1.00 0.00 H new ATOM 0 HA SER A 89 0.568 -14.113 -12.475 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.337 -16.077 -11.999 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.906 -15.722 -10.338 1.00 0.00 H new ATOM 0 HG SER A 89 0.524 -17.333 -11.278 1.00 0.00 H new ATOM 1401 N LYS A 90 1.878 -12.527 -10.049 1.00 0.00 N ATOM 1402 CA LYS A 90 1.631 -11.699 -8.881 1.00 0.00 C ATOM 1403 C LYS A 90 0.629 -10.600 -9.242 1.00 0.00 C ATOM 1404 O LYS A 90 -0.079 -10.091 -8.376 1.00 0.00 O ATOM 1405 CB LYS A 90 2.948 -11.167 -8.312 1.00 0.00 C ATOM 1406 CG LYS A 90 3.488 -12.095 -7.222 1.00 0.00 C ATOM 1407 CD LYS A 90 2.732 -11.894 -5.906 1.00 0.00 C ATOM 1408 CE LYS A 90 3.390 -12.680 -4.771 1.00 0.00 C ATOM 1409 NZ LYS A 90 2.613 -12.529 -3.520 1.00 0.00 N ATOM 0 H LYS A 90 2.795 -12.399 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 90 1.182 -12.291 -8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.683 -11.073 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.794 -10.169 -7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.395 -13.132 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.550 -11.902 -7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.709 -10.834 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.697 -12.216 -6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.456 -13.734 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.409 -12.326 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.072 -13.068 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.572 -11.524 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.648 -12.888 -3.665 1.00 0.00 H new ATOM 1423 N ILE A 91 0.603 -10.268 -10.525 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.300 -9.239 -11.013 1.00 0.00 C ATOM 1425 C ILE A 91 -1.199 -9.830 -12.102 1.00 0.00 C ATOM 1426 O ILE A 91 -2.379 -9.494 -12.187 1.00 0.00 O ATOM 1427 CB ILE A 91 0.485 -8.006 -11.464 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.827 -8.089 -12.952 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.732 -7.804 -10.600 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.415 -6.769 -13.455 1.00 0.00 C ATOM 0 H ILE A 91 1.192 -10.693 -11.241 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.954 -8.895 -10.212 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.148 -7.129 -11.327 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.540 -8.896 -13.120 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.070 -8.332 -13.522 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.272 -6.921 -10.942 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.436 -7.668 -9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.377 -8.679 -10.683 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.649 -6.856 -14.516 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.690 -5.968 -13.308 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.325 -6.541 -12.900 1.00 0.00 H new ATOM 1442 N THR A 92 -0.604 -10.697 -12.908 1.00 0.00 N ATOM 1443 CA THR A 92 -1.336 -11.336 -13.988 1.00 0.00 C ATOM 1444 C THR A 92 -2.767 -11.653 -13.550 1.00 0.00 C ATOM 1445 O THR A 92 -2.978 -12.326 -12.541 1.00 0.00 O ATOM 1446 CB THR A 92 -0.548 -12.573 -14.427 1.00 0.00 C ATOM 1447 OG1 THR A 92 -0.693 -12.593 -15.843 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.200 -13.877 -13.965 1.00 0.00 C ATOM 0 H THR A 92 0.376 -10.972 -12.835 1.00 0.00 H new ATOM 0 HA THR A 92 -1.432 -10.671 -14.846 1.00 0.00 H new ATOM 0 HB THR A 92 0.466 -12.516 -14.032 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.211 -13.363 -16.210 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.601 -14.723 -14.303 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.262 -13.887 -12.877 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.203 -13.951 -14.386 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.715 -11.152 -14.328 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.120 -11.372 -14.032 1.00 0.00 C ATOM 1458 C LYS A 93 -5.455 -10.754 -12.673 1.00 0.00 C ATOM 1459 O LYS A 93 -4.661 -10.839 -11.737 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.462 -12.860 -14.132 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.922 -13.062 -14.542 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.126 -14.435 -15.185 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.604 -14.833 -15.170 1.00 0.00 C ATOM 1464 NZ LYS A 93 -8.771 -16.222 -15.651 1.00 0.00 N ATOM 0 H LYS A 93 -3.537 -10.594 -15.163 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.747 -10.874 -14.772 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.807 -13.339 -14.860 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.280 -13.344 -13.172 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.566 -12.967 -13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.218 -12.281 -15.242 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.761 -14.418 -16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.539 -15.182 -14.650 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.001 -14.742 -14.159 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.177 -14.152 -15.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.779 -16.476 -15.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.411 -16.298 -16.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.241 -16.869 -15.033 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.661 -10.131 -12.607 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.109 -9.499 -11.377 1.00 0.00 C ATOM 1480 C PRO A 94 -7.555 -10.545 -10.353 1.00 0.00 C ATOM 1481 O PRO A 94 -7.224 -11.723 -10.479 1.00 0.00 O ATOM 1482 CB PRO A 94 -8.234 -8.567 -11.801 1.00 0.00 C ATOM 1483 CG PRO A 94 -8.683 -9.053 -13.169 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.627 -10.010 -13.694 1.00 0.00 C ATOM 0 HA PRO A 94 -6.315 -8.944 -10.877 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.056 -8.597 -11.086 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.889 -7.534 -11.847 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.649 -9.552 -13.098 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.808 -8.212 -13.851 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.061 -10.977 -13.947 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.158 -9.624 -14.599 1.00 0.00 H new ATOM 1492 N SER A 95 -8.299 -10.077 -9.362 1.00 0.00 N ATOM 1493 CA SER A 95 -8.793 -10.958 -8.316 1.00 0.00 C ATOM 1494 C SER A 95 -10.252 -10.627 -8.001 1.00 0.00 C ATOM 1495 O SER A 95 -10.761 -9.587 -8.414 1.00 0.00 O ATOM 1496 CB SER A 95 -7.936 -10.846 -7.053 1.00 0.00 C ATOM 1497 OG SER A 95 -7.902 -12.071 -6.322 1.00 0.00 O ATOM 0 H SER A 95 -8.572 -9.099 -9.261 1.00 0.00 H new ATOM 0 HA SER A 95 -8.730 -11.986 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.921 -10.559 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.330 -10.054 -6.416 1.00 0.00 H new ATOM 0 HG SER A 95 -7.344 -11.960 -5.524 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.885 -11.531 -7.268 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.277 -11.349 -6.890 1.00 0.00 C ATOM 1505 C GLU A 96 -12.385 -11.038 -5.396 1.00 0.00 C ATOM 1506 O GLU A 96 -11.377 -10.997 -4.691 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.111 -12.578 -7.256 1.00 0.00 C ATOM 1508 CG GLU A 96 -14.268 -12.199 -8.181 1.00 0.00 C ATOM 1509 CD GLU A 96 -15.583 -12.811 -7.693 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -15.905 -12.593 -6.506 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -16.236 -13.485 -8.520 1.00 0.00 O ATOM 0 H GLU A 96 -10.460 -12.392 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.676 -10.502 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.478 -13.319 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.502 -13.040 -6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.362 -11.114 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.056 -12.543 -9.194 1.00 0.00 H new ATOM 1518 N SER A 97 -13.617 -10.827 -4.955 1.00 0.00 N ATOM 1519 CA SER A 97 -13.870 -10.521 -3.558 1.00 0.00 C ATOM 1520 C SER A 97 -15.339 -10.783 -3.223 1.00 0.00 C ATOM 1521 O SER A 97 -16.131 -11.113 -4.104 1.00 0.00 O ATOM 1522 CB SER A 97 -13.503 -9.071 -3.237 1.00 0.00 C ATOM 1523 OG SER A 97 -14.097 -8.154 -4.152 1.00 0.00 O ATOM 0 H SER A 97 -14.451 -10.862 -5.541 1.00 0.00 H new ATOM 0 HA SER A 97 -13.243 -11.170 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.825 -8.832 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.419 -8.957 -3.262 1.00 0.00 H new ATOM 0 HG SER A 97 -13.840 -7.239 -3.912 1.00 0.00 H new ATOM 1529 N ILE A 98 -15.658 -10.627 -1.946 1.00 0.00 N ATOM 1530 CA ILE A 98 -17.019 -10.844 -1.483 1.00 0.00 C ATOM 1531 C ILE A 98 -17.364 -9.798 -0.420 1.00 0.00 C ATOM 1532 O ILE A 98 -16.515 -9.429 0.390 1.00 0.00 O ATOM 1533 CB ILE A 98 -17.200 -12.287 -1.009 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -18.618 -12.784 -1.295 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -16.829 -12.429 0.468 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -18.684 -13.517 -2.636 1.00 0.00 C ATOM 0 H ILE A 98 -14.998 -10.353 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.726 -10.712 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 98 -16.517 -12.921 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -18.941 -13.451 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -19.308 -11.940 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -16.967 -13.464 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.787 -12.142 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -17.469 -11.781 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -19.703 -13.859 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -18.384 -12.840 -3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -18.012 -14.375 -2.615 1.00 0.00 H new ATOM 1548 N ILE A 99 -18.611 -9.353 -0.457 1.00 0.00 N ATOM 1549 CA ILE A 99 -19.078 -8.359 0.493 1.00 0.00 C ATOM 1550 C ILE A 99 -20.457 -8.766 1.016 1.00 0.00 C ATOM 1551 O ILE A 99 -21.263 -9.327 0.275 1.00 0.00 O ATOM 1552 CB ILE A 99 -19.045 -6.963 -0.133 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -18.906 -5.883 0.943 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -20.268 -6.731 -1.022 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -17.447 -5.724 1.377 1.00 0.00 C ATOM 0 H ILE A 99 -19.312 -9.663 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 99 -18.412 -8.313 1.354 1.00 0.00 H new ATOM 0 HB ILE A 99 -18.165 -6.897 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -19.281 -4.934 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -19.519 -6.143 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.219 -5.732 -1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -20.282 -7.472 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -21.175 -6.824 -0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -17.377 -4.951 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -17.083 -6.668 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -16.841 -5.440 0.517 1.00 0.00 H new ATOM 1567 N THR A 100 -20.686 -8.467 2.286 1.00 0.00 N ATOM 1568 CA THR A 100 -21.954 -8.796 2.915 1.00 0.00 C ATOM 1569 C THR A 100 -22.817 -7.541 3.061 1.00 0.00 C ATOM 1570 O THR A 100 -22.330 -6.424 2.896 1.00 0.00 O ATOM 1571 CB THR A 100 -21.656 -9.486 4.247 1.00 0.00 C ATOM 1572 OG1 THR A 100 -21.134 -10.757 3.870 1.00 0.00 O ATOM 1573 CG2 THR A 100 -22.927 -9.823 5.029 1.00 0.00 C ATOM 0 H THR A 100 -20.015 -8.001 2.897 1.00 0.00 H new ATOM 0 HA THR A 100 -22.535 -9.483 2.300 1.00 0.00 H new ATOM 0 HB THR A 100 -21.016 -8.844 4.853 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.912 -11.271 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 100 -22.659 -10.311 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 100 -23.477 -8.906 5.242 1.00 0.00 H new ATOM 0 HG23 THR A 100 -23.552 -10.492 4.437 1.00 0.00 H new ATOM 1581 N THR A 101 -24.086 -7.768 3.369 1.00 0.00 N ATOM 1582 CA THR A 101 -25.022 -6.669 3.540 1.00 0.00 C ATOM 1583 C THR A 101 -25.850 -6.866 4.811 1.00 0.00 C ATOM 1584 O THR A 101 -26.129 -7.998 5.205 1.00 0.00 O ATOM 1585 CB THR A 101 -25.871 -6.571 2.271 1.00 0.00 C ATOM 1586 OG1 THR A 101 -26.615 -5.368 2.443 1.00 0.00 O ATOM 1587 CG2 THR A 101 -26.942 -7.663 2.197 1.00 0.00 C ATOM 0 H THR A 101 -24.488 -8.696 3.504 1.00 0.00 H new ATOM 0 HA THR A 101 -24.500 -5.722 3.674 1.00 0.00 H new ATOM 0 HB THR A 101 -25.224 -6.636 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 101 -27.192 -5.226 1.664 1.00 0.00 H new ATOM 0 HG21 THR A 101 -27.516 -7.548 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 101 -26.464 -8.643 2.206 1.00 0.00 H new ATOM 0 HG23 THR A 101 -27.609 -7.577 3.055 1.00 0.00 H new ATOM 1595 N ILE A 102 -26.219 -5.747 5.418 1.00 0.00 N ATOM 1596 CA ILE A 102 -27.009 -5.782 6.637 1.00 0.00 C ATOM 1597 C ILE A 102 -28.345 -5.080 6.394 1.00 0.00 C ATOM 1598 O ILE A 102 -28.564 -4.505 5.329 1.00 0.00 O ATOM 1599 CB ILE A 102 -26.213 -5.202 7.808 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -26.745 -5.723 9.145 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -26.196 -3.674 7.754 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -25.598 -6.139 10.067 1.00 0.00 C ATOM 0 H ILE A 102 -25.985 -4.811 5.088 1.00 0.00 H new ATOM 0 HA ILE A 102 -27.236 -6.811 6.915 1.00 0.00 H new ATOM 0 HB ILE A 102 -25.180 -5.539 7.720 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -27.343 -4.950 9.628 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -27.404 -6.574 8.972 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -25.624 -3.286 8.597 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -25.735 -3.348 6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -27.217 -3.297 7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -26.004 -6.505 11.010 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -25.017 -6.929 9.591 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -24.955 -5.280 10.258 1.00 0.00 H new ATOM 1614 N ASP A 103 -29.207 -5.152 7.398 1.00 0.00 N ATOM 1615 CA ASP A 103 -30.517 -4.531 7.306 1.00 0.00 C ATOM 1616 C ASP A 103 -30.743 -3.642 8.532 1.00 0.00 C ATOM 1617 O ASP A 103 -29.944 -3.657 9.468 1.00 0.00 O ATOM 1618 CB ASP A 103 -31.626 -5.584 7.277 1.00 0.00 C ATOM 1619 CG ASP A 103 -31.452 -6.734 8.270 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -31.938 -6.576 9.412 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -30.838 -7.746 7.866 1.00 0.00 O ATOM 0 H ASP A 103 -29.023 -5.631 8.279 1.00 0.00 H new ATOM 0 HA ASP A 103 -30.549 -3.948 6.386 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -32.578 -5.093 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -31.686 -5.999 6.271 1.00 0.00 H new ATOM 1626 N SER A 104 -31.832 -2.890 8.485 1.00 0.00 N ATOM 1627 CA SER A 104 -32.172 -1.997 9.580 1.00 0.00 C ATOM 1628 C SER A 104 -33.274 -2.620 10.440 1.00 0.00 C ATOM 1629 O SER A 104 -33.346 -3.840 10.574 1.00 0.00 O ATOM 1630 CB SER A 104 -32.616 -0.630 9.057 1.00 0.00 C ATOM 1631 OG SER A 104 -32.050 0.439 9.811 1.00 0.00 O ATOM 0 H SER A 104 -32.491 -2.880 7.706 1.00 0.00 H new ATOM 0 HA SER A 104 -31.282 -1.850 10.192 1.00 0.00 H new ATOM 0 HB2 SER A 104 -32.325 -0.530 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 104 -33.703 -0.563 9.093 1.00 0.00 H new ATOM 0 HG SER A 104 -32.356 1.295 9.445 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -7.946 5.330 -17.686 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.520 7.250 -18.765 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.892 4.910 -20.933 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.489 3.223 -16.595 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.850 5.902 -14.439 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.595 5.946 -19.463 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.726 6.656 -19.740 1.00 0.00 C HETATM 1645 C2A HEM A 105 -9.928 6.752 -21.198 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.863 6.158 -21.822 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.031 5.669 -20.747 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.602 6.026 -23.321 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.141 7.361 -21.875 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.365 6.469 -21.733 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.016 4.994 -21.756 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.645 4.221 -21.009 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.087 4.600 -22.485 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.496 4.319 -18.559 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.175 4.266 -19.927 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.028 3.405 -20.165 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.678 2.879 -18.936 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.566 3.477 -17.967 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.432 3.075 -21.533 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.828 1.795 -18.618 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.546 1.520 -19.040 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.306 4.694 -15.908 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.292 3.781 -15.645 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.155 3.501 -14.199 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.114 4.265 -13.600 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.799 5.023 -14.656 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.141 2.502 -13.587 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.413 4.349 -12.231 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.416 4.407 -11.271 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.413 6.336 -16.775 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.617 6.513 -15.402 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.697 7.431 -15.148 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.124 7.838 -16.356 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.372 7.119 -17.377 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.283 7.826 -13.799 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.127 8.932 -16.626 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.516 8.353 -16.749 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.246 8.878 -17.961 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.562 9.214 -18.951 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.498 8.939 -17.934 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.552 5.984 -23.853 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.038 5.113 -23.513 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.029 6.886 -23.668 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.218 3.101 -22.288 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.988 2.080 -21.506 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.665 3.808 -21.782 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.858 2.836 -12.589 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.253 2.452 -14.218 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.597 1.514 -13.524 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.181 6.995 -13.101 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.338 8.072 -13.919 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.750 8.694 -13.411 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.036 0.624 -18.686 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.041 2.199 -19.728 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.679 4.472 -10.215 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.368 4.388 -11.571 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.064 6.686 -22.541 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.875 6.704 -20.799 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.927 7.521 -22.932 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.349 8.338 -21.440 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.088 8.590 -15.852 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.451 7.267 -16.808 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.863 9.458 -17.543 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.102 9.665 -15.819 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.331 7.874 -19.111 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.526 4.807 -21.944 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.732 2.529 -16.260 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.089 6.129 -13.411 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.253 1.063 -17.932 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.456 4.369 -11.915 1.00 0.00 H new