USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 90 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.48) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 151:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 TYR OH : rot -14:sc= 0.562 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -2.57 K(o=-2,f=-2.8!) USER MOD Set 3.1: A 57 HIS : no HE2:sc= -5.39! C(o=-5.4!,f=-6.1!) USER MOD Set 3.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0229 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -56:sc= 0.0243 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 169:sc=-0.00836 (180deg=-0.141) USER MOD Single : A 20 TYR OH : rot 11:sc= 1.28 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -150:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -92:sc= 1.19 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -168:sc= -0.0227 (180deg=-0.291) USER MOD Single : A 47 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.5) USER MOD Single : A 48 SER OG : rot 173:sc= 0 USER MOD Single : A 50 MET CE :methyl -153:sc= -0.252 (180deg=-1.01) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -0.0291 (180deg=-0.295) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0896 X(o=-0.09,f=-0.42) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 84:sc= 0.374 USER MOD Single : A 101 SER OG : rot 36:sc= 1.1 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.765 10.441 18.287 1.00 0.00 N ATOM 2 CA GLY A 1 -5.419 10.982 18.276 1.00 0.00 C ATOM 3 C GLY A 1 -4.875 11.211 19.673 1.00 0.00 C ATOM 4 O GLY A 1 -5.624 11.547 20.590 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.358 10.971 17.616 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.739 9.439 18.010 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.165 10.525 19.243 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.760 10.298 17.740 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.414 11.924 17.728 1.00 0.00 H new ATOM 8 N SER A 2 -3.568 11.029 19.835 1.00 0.00 N ATOM 9 CA SER A 2 -2.926 11.213 21.131 1.00 0.00 C ATOM 10 C SER A 2 -1.706 12.121 21.008 1.00 0.00 C ATOM 11 O SER A 2 -1.130 12.262 19.930 1.00 0.00 O ATOM 12 CB SER A 2 -2.513 9.861 21.715 1.00 0.00 C ATOM 13 OG SER A 2 -3.635 9.162 22.227 1.00 0.00 O ATOM 0 H SER A 2 -2.933 10.754 19.085 1.00 0.00 H new ATOM 0 HA SER A 2 -3.644 11.686 21.801 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.028 9.262 20.945 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.782 10.012 22.509 1.00 0.00 H new ATOM 0 HG SER A 2 -3.345 8.300 22.593 1.00 0.00 H new ATOM 19 N SER A 3 -1.318 12.734 22.122 1.00 0.00 N ATOM 20 CA SER A 3 -0.169 13.631 22.140 1.00 0.00 C ATOM 21 C SER A 3 1.112 12.882 21.784 1.00 0.00 C ATOM 22 O SER A 3 1.206 11.669 21.966 1.00 0.00 O ATOM 23 CB SER A 3 -0.026 14.283 23.517 1.00 0.00 C ATOM 24 OG SER A 3 -1.173 15.049 23.840 1.00 0.00 O ATOM 0 H SER A 3 -1.783 12.626 23.024 1.00 0.00 H new ATOM 0 HA SER A 3 -0.334 14.407 21.393 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.126 13.513 24.273 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.857 14.922 23.531 1.00 0.00 H new ATOM 0 HG SER A 3 -1.058 15.454 24.725 1.00 0.00 H new ATOM 30 N GLY A 4 2.097 13.615 21.274 1.00 0.00 N ATOM 31 CA GLY A 4 3.359 13.004 20.899 1.00 0.00 C ATOM 32 C GLY A 4 3.399 12.608 19.437 1.00 0.00 C ATOM 33 O GLY A 4 3.792 11.491 19.100 1.00 0.00 O ATOM 0 H GLY A 4 2.044 14.621 21.114 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.172 13.700 21.106 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.530 12.122 21.516 1.00 0.00 H new ATOM 37 N SER A 5 2.991 13.524 18.565 1.00 0.00 N ATOM 38 CA SER A 5 2.978 13.262 17.131 1.00 0.00 C ATOM 39 C SER A 5 4.308 13.654 16.494 1.00 0.00 C ATOM 40 O SER A 5 4.602 14.837 16.323 1.00 0.00 O ATOM 41 CB SER A 5 1.834 14.028 16.462 1.00 0.00 C ATOM 42 OG SER A 5 0.579 13.626 16.982 1.00 0.00 O ATOM 0 H SER A 5 2.665 14.454 18.827 1.00 0.00 H new ATOM 0 HA SER A 5 2.826 12.193 16.984 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.969 15.098 16.617 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.857 13.856 15.386 1.00 0.00 H new ATOM 0 HG SER A 5 -0.135 14.131 16.540 1.00 0.00 H new ATOM 48 N SER A 6 5.108 12.652 16.146 1.00 0.00 N ATOM 49 CA SER A 6 6.409 12.890 15.532 1.00 0.00 C ATOM 50 C SER A 6 6.357 12.628 14.030 1.00 0.00 C ATOM 51 O SER A 6 5.331 12.208 13.497 1.00 0.00 O ATOM 52 CB SER A 6 7.473 12.001 16.180 1.00 0.00 C ATOM 53 OG SER A 6 7.785 12.449 17.487 1.00 0.00 O ATOM 0 H SER A 6 4.878 11.667 16.279 1.00 0.00 H new ATOM 0 HA SER A 6 6.673 13.935 15.692 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.116 10.972 16.221 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.374 12.002 15.567 1.00 0.00 H new ATOM 0 HG SER A 6 8.466 11.863 17.880 1.00 0.00 H new ATOM 59 N GLY A 7 7.473 12.880 13.353 1.00 0.00 N ATOM 60 CA GLY A 7 7.534 12.667 11.918 1.00 0.00 C ATOM 61 C GLY A 7 8.880 13.044 11.333 1.00 0.00 C ATOM 62 O GLY A 7 9.093 14.190 10.936 1.00 0.00 O ATOM 0 H GLY A 7 8.336 13.228 13.772 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.327 11.619 11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.753 13.253 11.433 1.00 0.00 H new ATOM 66 N MET A 8 9.793 12.080 11.282 1.00 0.00 N ATOM 67 CA MET A 8 11.126 12.317 10.741 1.00 0.00 C ATOM 68 C MET A 8 11.409 11.391 9.563 1.00 0.00 C ATOM 69 O MET A 8 11.833 10.250 9.746 1.00 0.00 O ATOM 70 CB MET A 8 12.184 12.116 11.828 1.00 0.00 C ATOM 71 CG MET A 8 13.611 12.246 11.319 1.00 0.00 C ATOM 72 SD MET A 8 14.154 13.962 11.206 1.00 0.00 S ATOM 73 CE MET A 8 15.169 14.094 12.675 1.00 0.00 C ATOM 0 H MET A 8 9.634 11.127 11.609 1.00 0.00 H new ATOM 0 HA MET A 8 11.169 13.347 10.388 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.022 12.846 12.621 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.054 11.129 12.272 1.00 0.00 H new ATOM 0 HG2 MET A 8 14.281 11.700 11.983 1.00 0.00 H new ATOM 0 HG3 MET A 8 13.686 11.780 10.337 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.578 15.102 12.745 1.00 0.00 H new ATOM 0 HE2 MET A 8 14.562 13.886 13.556 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.986 13.374 12.619 1.00 0.00 H new ATOM 83 N ALA A 9 11.169 11.888 8.354 1.00 0.00 N ATOM 84 CA ALA A 9 11.399 11.105 7.146 1.00 0.00 C ATOM 85 C ALA A 9 12.461 11.754 6.265 1.00 0.00 C ATOM 86 O ALA A 9 12.857 12.896 6.494 1.00 0.00 O ATOM 87 CB ALA A 9 10.101 10.935 6.372 1.00 0.00 C ATOM 0 H ALA A 9 10.815 12.830 8.185 1.00 0.00 H new ATOM 0 HA ALA A 9 11.763 10.122 7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.288 10.348 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.370 10.420 6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.713 11.915 6.092 1.00 0.00 H new ATOM 93 N GLU A 10 12.920 11.017 5.258 1.00 0.00 N ATOM 94 CA GLU A 10 13.938 11.522 4.344 1.00 0.00 C ATOM 95 C GLU A 10 13.327 11.872 2.990 1.00 0.00 C ATOM 96 O GLU A 10 13.254 11.032 2.094 1.00 0.00 O ATOM 97 CB GLU A 10 15.050 10.486 4.162 1.00 0.00 C ATOM 98 CG GLU A 10 16.049 10.458 5.307 1.00 0.00 C ATOM 99 CD GLU A 10 15.629 9.523 6.424 1.00 0.00 C ATOM 100 OE1 GLU A 10 15.371 8.335 6.140 1.00 0.00 O ATOM 101 OE2 GLU A 10 15.558 9.981 7.584 1.00 0.00 O ATOM 0 H GLU A 10 12.603 10.069 5.055 1.00 0.00 H new ATOM 0 HA GLU A 10 14.362 12.428 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.601 9.498 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.581 10.694 3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.023 10.150 4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.167 11.465 5.706 1.00 0.00 H new ATOM 108 N SER A 11 12.891 13.120 2.850 1.00 0.00 N ATOM 109 CA SER A 11 12.283 13.582 1.608 1.00 0.00 C ATOM 110 C SER A 11 11.293 12.552 1.072 1.00 0.00 C ATOM 111 O SER A 11 11.247 12.286 -0.129 1.00 0.00 O ATOM 112 CB SER A 11 13.362 13.862 0.561 1.00 0.00 C ATOM 113 OG SER A 11 12.875 14.721 -0.456 1.00 0.00 O ATOM 0 H SER A 11 12.948 13.829 3.581 1.00 0.00 H new ATOM 0 HA SER A 11 11.742 14.505 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 11 14.229 14.316 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.697 12.923 0.119 1.00 0.00 H new ATOM 0 HG SER A 11 12.075 14.327 -0.861 1.00 0.00 H new ATOM 119 N SER A 12 10.502 11.977 1.972 1.00 0.00 N ATOM 120 CA SER A 12 9.515 10.973 1.591 1.00 0.00 C ATOM 121 C SER A 12 8.124 11.592 1.486 1.00 0.00 C ATOM 122 O SER A 12 7.317 11.492 2.411 1.00 0.00 O ATOM 123 CB SER A 12 9.501 9.830 2.607 1.00 0.00 C ATOM 124 OG SER A 12 10.457 8.838 2.271 1.00 0.00 O ATOM 0 H SER A 12 10.525 12.189 2.969 1.00 0.00 H new ATOM 0 HA SER A 12 9.793 10.578 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.712 10.221 3.602 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.507 9.384 2.644 1.00 0.00 H new ATOM 0 HG SER A 12 10.430 8.119 2.936 1.00 0.00 H new ATOM 130 N ASP A 13 7.851 12.231 0.354 1.00 0.00 N ATOM 131 CA ASP A 13 6.558 12.865 0.126 1.00 0.00 C ATOM 132 C ASP A 13 5.787 12.147 -0.977 1.00 0.00 C ATOM 133 O ASP A 13 5.769 12.589 -2.126 1.00 0.00 O ATOM 134 CB ASP A 13 6.746 14.338 -0.242 1.00 0.00 C ATOM 135 CG ASP A 13 7.586 15.086 0.775 1.00 0.00 C ATOM 136 OD1 ASP A 13 8.819 14.887 0.789 1.00 0.00 O ATOM 137 OD2 ASP A 13 7.010 15.871 1.557 1.00 0.00 O ATOM 0 H ASP A 13 8.508 12.324 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 13 5.982 12.800 1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.219 14.407 -1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.770 14.816 -0.325 1.00 0.00 H new ATOM 142 N LYS A 14 5.152 11.036 -0.620 1.00 0.00 N ATOM 143 CA LYS A 14 4.379 10.255 -1.579 1.00 0.00 C ATOM 144 C LYS A 14 2.901 10.236 -1.199 1.00 0.00 C ATOM 145 O LYS A 14 2.554 10.157 -0.020 1.00 0.00 O ATOM 146 CB LYS A 14 4.916 8.824 -1.653 1.00 0.00 C ATOM 147 CG LYS A 14 6.389 8.745 -2.014 1.00 0.00 C ATOM 148 CD LYS A 14 6.591 8.686 -3.519 1.00 0.00 C ATOM 149 CE LYS A 14 8.068 8.648 -3.881 1.00 0.00 C ATOM 150 NZ LYS A 14 8.733 7.417 -3.372 1.00 0.00 N ATOM 0 H LYS A 14 5.157 10.656 0.327 1.00 0.00 H new ATOM 0 HA LYS A 14 4.479 10.725 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.760 8.336 -0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.339 8.266 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.911 9.612 -1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.831 7.863 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.094 7.803 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.123 9.554 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.178 8.698 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.565 9.526 -3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.681 7.336 -3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.816 7.470 -2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.167 6.584 -3.631 1.00 0.00 H new ATOM 164 N LEU A 15 2.036 10.307 -2.204 1.00 0.00 N ATOM 165 CA LEU A 15 0.595 10.296 -1.976 1.00 0.00 C ATOM 166 C LEU A 15 0.119 8.906 -1.566 1.00 0.00 C ATOM 167 O LEU A 15 -0.665 8.759 -0.628 1.00 0.00 O ATOM 168 CB LEU A 15 -0.144 10.750 -3.236 1.00 0.00 C ATOM 169 CG LEU A 15 -0.295 12.260 -3.418 1.00 0.00 C ATOM 170 CD1 LEU A 15 0.902 12.829 -4.165 1.00 0.00 C ATOM 171 CD2 LEU A 15 -1.587 12.582 -4.154 1.00 0.00 C ATOM 0 H LEU A 15 2.307 10.373 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 15 0.375 10.989 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.380 10.350 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.138 10.304 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.337 12.723 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.778 13.905 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.812 12.630 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.975 12.360 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.678 13.662 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.575 12.107 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.435 12.208 -3.580 1.00 0.00 H new ATOM 183 N TYR A 16 0.601 7.889 -2.272 1.00 0.00 N ATOM 184 CA TYR A 16 0.224 6.511 -1.982 1.00 0.00 C ATOM 185 C TYR A 16 1.357 5.775 -1.273 1.00 0.00 C ATOM 186 O TYR A 16 2.527 6.128 -1.416 1.00 0.00 O ATOM 187 CB TYR A 16 -0.145 5.778 -3.273 1.00 0.00 C ATOM 188 CG TYR A 16 -1.180 6.502 -4.105 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.520 6.502 -3.736 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.818 7.186 -5.259 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.469 7.160 -4.493 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.761 7.849 -6.021 1.00 0.00 C ATOM 193 CZ TYR A 16 -3.085 7.832 -5.635 1.00 0.00 C ATOM 194 OH TYR A 16 -4.027 8.491 -6.391 1.00 0.00 O ATOM 0 H TYR A 16 1.253 7.993 -3.049 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.643 6.530 -1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.755 5.636 -3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.521 4.786 -3.023 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.824 5.978 -2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.218 7.200 -5.565 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.506 7.149 -4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.463 8.378 -6.914 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.924 8.208 -6.115 1.00 0.00 H new ATOM 204 N ARG A 17 0.999 4.749 -0.507 1.00 0.00 N ATOM 205 CA ARG A 17 1.984 3.962 0.225 1.00 0.00 C ATOM 206 C ARG A 17 1.459 2.557 0.503 1.00 0.00 C ATOM 207 O ARG A 17 0.580 2.366 1.344 1.00 0.00 O ATOM 208 CB ARG A 17 2.343 4.654 1.542 1.00 0.00 C ATOM 209 CG ARG A 17 3.501 3.999 2.278 1.00 0.00 C ATOM 210 CD ARG A 17 3.811 4.719 3.581 1.00 0.00 C ATOM 211 NE ARG A 17 4.531 5.970 3.357 1.00 0.00 N ATOM 212 CZ ARG A 17 5.337 6.524 4.256 1.00 0.00 C ATOM 213 NH1 ARG A 17 5.525 5.942 5.432 1.00 0.00 N ATOM 214 NH2 ARG A 17 5.958 7.664 3.979 1.00 0.00 N ATOM 0 H ARG A 17 0.034 4.444 -0.377 1.00 0.00 H new ATOM 0 HA ARG A 17 2.879 3.881 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.595 5.695 1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.467 4.659 2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.259 2.957 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.386 4.000 1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.881 4.926 4.111 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.406 4.068 4.222 1.00 0.00 H new ATOM 0 HE ARG A 17 4.408 6.444 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.050 5.066 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.145 6.370 6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.816 8.115 3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.577 8.089 4.670 1.00 0.00 H new ATOM 228 N VAL A 18 2.004 1.576 -0.209 1.00 0.00 N ATOM 229 CA VAL A 18 1.592 0.187 -0.039 1.00 0.00 C ATOM 230 C VAL A 18 2.582 -0.577 0.833 1.00 0.00 C ATOM 231 O VAL A 18 3.784 -0.581 0.566 1.00 0.00 O ATOM 232 CB VAL A 18 1.460 -0.529 -1.396 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.742 -0.387 -2.202 1.00 0.00 C ATOM 234 CG2 VAL A 18 1.109 -1.995 -1.192 1.00 0.00 C ATOM 0 H VAL A 18 2.732 1.717 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 18 0.618 0.203 0.451 1.00 0.00 H new ATOM 0 HB VAL A 18 0.652 -0.060 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.630 -0.899 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.946 0.669 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.571 -0.829 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.020 -2.486 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.894 -2.480 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.162 -2.071 -0.658 1.00 0.00 H new ATOM 244 N GLU A 19 2.069 -1.223 1.875 1.00 0.00 N ATOM 245 CA GLU A 19 2.909 -1.991 2.786 1.00 0.00 C ATOM 246 C GLU A 19 2.146 -3.185 3.354 1.00 0.00 C ATOM 247 O GLU A 19 0.962 -3.370 3.071 1.00 0.00 O ATOM 248 CB GLU A 19 3.408 -1.102 3.927 1.00 0.00 C ATOM 249 CG GLU A 19 2.376 -0.876 5.019 1.00 0.00 C ATOM 250 CD GLU A 19 2.437 -1.932 6.106 1.00 0.00 C ATOM 251 OE1 GLU A 19 3.507 -2.553 6.272 1.00 0.00 O ATOM 252 OE2 GLU A 19 1.412 -2.136 6.791 1.00 0.00 O ATOM 0 H GLU A 19 1.076 -1.230 2.109 1.00 0.00 H new ATOM 0 HA GLU A 19 3.765 -2.363 2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.297 -1.555 4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.710 -0.137 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.532 0.107 5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.380 -0.872 4.577 1.00 0.00 H new ATOM 259 N TYR A 20 2.834 -3.992 4.155 1.00 0.00 N ATOM 260 CA TYR A 20 2.223 -5.169 4.760 1.00 0.00 C ATOM 261 C TYR A 20 1.658 -4.842 6.138 1.00 0.00 C ATOM 262 O TYR A 20 2.400 -4.712 7.111 1.00 0.00 O ATOM 263 CB TYR A 20 3.247 -6.300 4.872 1.00 0.00 C ATOM 264 CG TYR A 20 3.908 -6.651 3.558 1.00 0.00 C ATOM 265 CD1 TYR A 20 3.156 -7.099 2.478 1.00 0.00 C ATOM 266 CD2 TYR A 20 5.283 -6.536 3.396 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.755 -7.421 1.275 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.890 -6.855 2.197 1.00 0.00 C ATOM 269 CZ TYR A 20 5.122 -7.297 1.140 1.00 0.00 C ATOM 270 OH TYR A 20 5.723 -7.617 -0.056 1.00 0.00 O ATOM 0 H TYR A 20 3.814 -3.852 4.400 1.00 0.00 H new ATOM 0 HA TYR A 20 1.403 -5.492 4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.015 -6.013 5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.754 -7.187 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.085 -7.197 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.888 -6.191 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.156 -7.768 0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.960 -6.759 2.088 1.00 0.00 H new ATOM 0 HH TYR A 20 5.036 -7.743 -0.744 1.00 0.00 H new ATOM 280 N ALA A 21 0.337 -4.712 6.213 1.00 0.00 N ATOM 281 CA ALA A 21 -0.330 -4.402 7.472 1.00 0.00 C ATOM 282 C ALA A 21 0.335 -5.127 8.638 1.00 0.00 C ATOM 283 O ALA A 21 0.563 -6.335 8.583 1.00 0.00 O ATOM 284 CB ALA A 21 -1.804 -4.770 7.392 1.00 0.00 C ATOM 0 H ALA A 21 -0.292 -4.817 5.417 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.243 -3.330 7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.290 -4.533 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.277 -4.204 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.902 -5.837 7.190 1.00 0.00 H new ATOM 290 N LYS A 22 0.645 -4.380 9.692 1.00 0.00 N ATOM 291 CA LYS A 22 1.283 -4.950 10.873 1.00 0.00 C ATOM 292 C LYS A 22 0.253 -5.613 11.782 1.00 0.00 C ATOM 293 O LYS A 22 0.510 -6.669 12.360 1.00 0.00 O ATOM 294 CB LYS A 22 2.037 -3.865 11.644 1.00 0.00 C ATOM 295 CG LYS A 22 3.137 -3.198 10.837 1.00 0.00 C ATOM 296 CD LYS A 22 4.275 -2.727 11.728 1.00 0.00 C ATOM 297 CE LYS A 22 5.317 -1.951 10.937 1.00 0.00 C ATOM 298 NZ LYS A 22 6.508 -1.618 11.767 1.00 0.00 N ATOM 0 H LYS A 22 0.465 -3.378 9.753 1.00 0.00 H new ATOM 0 HA LYS A 22 1.991 -5.710 10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.328 -3.105 11.973 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.472 -4.305 12.541 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.521 -3.898 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.725 -2.349 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.878 -2.098 12.525 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.745 -3.587 12.205 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.629 -2.538 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.873 -1.032 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.195 -1.089 11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.215 -1.036 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.947 -2.495 12.111 1.00 0.00 H new ATOM 312 N SER A 23 -0.913 -4.986 11.903 1.00 0.00 N ATOM 313 CA SER A 23 -1.981 -5.515 12.744 1.00 0.00 C ATOM 314 C SER A 23 -3.328 -5.424 12.032 1.00 0.00 C ATOM 315 O SER A 23 -3.428 -4.873 10.937 1.00 0.00 O ATOM 316 CB SER A 23 -2.039 -4.753 14.069 1.00 0.00 C ATOM 317 OG SER A 23 -2.630 -3.477 13.899 1.00 0.00 O ATOM 0 H SER A 23 -1.142 -4.112 11.430 1.00 0.00 H new ATOM 0 HA SER A 23 -1.766 -6.564 12.946 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.611 -5.328 14.798 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.032 -4.640 14.471 1.00 0.00 H new ATOM 0 HG SER A 23 -2.255 -2.853 14.555 1.00 0.00 H new ATOM 323 N GLY A 24 -4.362 -5.969 12.665 1.00 0.00 N ATOM 324 CA GLY A 24 -5.689 -5.940 12.079 1.00 0.00 C ATOM 325 C GLY A 24 -6.569 -4.867 12.690 1.00 0.00 C ATOM 326 O GLY A 24 -7.728 -5.119 13.021 1.00 0.00 O ATOM 0 H GLY A 24 -4.304 -6.430 13.573 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.605 -5.769 11.006 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.163 -6.913 12.211 1.00 0.00 H new ATOM 330 N ARG A 25 -6.018 -3.667 12.841 1.00 0.00 N ATOM 331 CA ARG A 25 -6.760 -2.553 13.420 1.00 0.00 C ATOM 332 C ARG A 25 -7.260 -1.610 12.330 1.00 0.00 C ATOM 333 O ARG A 25 -8.464 -1.406 12.176 1.00 0.00 O ATOM 334 CB ARG A 25 -5.881 -1.786 14.409 1.00 0.00 C ATOM 335 CG ARG A 25 -5.479 -2.603 15.626 1.00 0.00 C ATOM 336 CD ARG A 25 -4.437 -1.878 16.464 1.00 0.00 C ATOM 337 NE ARG A 25 -4.958 -0.636 17.030 1.00 0.00 N ATOM 338 CZ ARG A 25 -4.320 0.075 17.953 1.00 0.00 C ATOM 339 NH1 ARG A 25 -3.143 -0.330 18.411 1.00 0.00 N ATOM 340 NH2 ARG A 25 -4.858 1.195 18.419 1.00 0.00 N ATOM 0 H ARG A 25 -5.061 -3.441 12.571 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.622 -2.959 13.950 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.981 -1.447 13.896 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.414 -0.894 14.740 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.359 -2.808 16.235 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.083 -3.566 15.304 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.101 -2.531 17.270 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.565 -1.658 15.848 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.861 -0.296 16.698 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.725 -1.190 18.054 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.655 0.218 19.120 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.762 1.511 18.068 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.367 1.740 19.128 1.00 0.00 H new ATOM 354 N ALA A 26 -6.327 -1.036 11.577 1.00 0.00 N ATOM 355 CA ALA A 26 -6.674 -0.116 10.501 1.00 0.00 C ATOM 356 C ALA A 26 -7.978 -0.526 9.826 1.00 0.00 C ATOM 357 O ALA A 26 -8.204 -1.706 9.556 1.00 0.00 O ATOM 358 CB ALA A 26 -5.547 -0.049 9.480 1.00 0.00 C ATOM 0 H ALA A 26 -5.326 -1.192 11.692 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.816 0.874 10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.820 0.642 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.636 0.300 9.966 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.377 -1.040 9.060 1.00 0.00 H new ATOM 364 N SER A 27 -8.833 0.455 9.556 1.00 0.00 N ATOM 365 CA SER A 27 -10.118 0.194 8.916 1.00 0.00 C ATOM 366 C SER A 27 -10.105 0.661 7.463 1.00 0.00 C ATOM 367 O SER A 27 -9.194 1.370 7.034 1.00 0.00 O ATOM 368 CB SER A 27 -11.243 0.895 9.679 1.00 0.00 C ATOM 369 OG SER A 27 -11.717 0.088 10.743 1.00 0.00 O ATOM 0 H SER A 27 -8.660 1.437 9.770 1.00 0.00 H new ATOM 0 HA SER A 27 -10.293 -0.882 8.933 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.883 1.846 10.072 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.063 1.122 8.997 1.00 0.00 H new ATOM 0 HG SER A 27 -12.434 0.559 11.216 1.00 0.00 H new ATOM 375 N CYS A 28 -11.124 0.259 6.711 1.00 0.00 N ATOM 376 CA CYS A 28 -11.232 0.634 5.306 1.00 0.00 C ATOM 377 C CYS A 28 -12.198 1.802 5.128 1.00 0.00 C ATOM 378 O CYS A 28 -13.264 1.841 5.742 1.00 0.00 O ATOM 379 CB CYS A 28 -11.700 -0.560 4.472 1.00 0.00 C ATOM 380 SG CYS A 28 -11.979 -0.176 2.713 1.00 0.00 S ATOM 0 H CYS A 28 -11.887 -0.326 7.051 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.246 0.945 4.962 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.957 -1.354 4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.625 -0.948 4.899 1.00 0.00 H new ATOM 385 N LYS A 29 -11.817 2.754 4.283 1.00 0.00 N ATOM 386 CA LYS A 29 -12.648 3.923 4.021 1.00 0.00 C ATOM 387 C LYS A 29 -13.409 3.767 2.709 1.00 0.00 C ATOM 388 O LYS A 29 -13.672 4.747 2.011 1.00 0.00 O ATOM 389 CB LYS A 29 -11.786 5.187 3.976 1.00 0.00 C ATOM 390 CG LYS A 29 -11.129 5.523 5.303 1.00 0.00 C ATOM 391 CD LYS A 29 -12.098 6.218 6.245 1.00 0.00 C ATOM 392 CE LYS A 29 -12.157 7.714 5.981 1.00 0.00 C ATOM 393 NZ LYS A 29 -13.357 8.341 6.602 1.00 0.00 N ATOM 0 H LYS A 29 -10.937 2.739 3.767 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.371 4.012 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.012 5.062 3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.405 6.028 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.760 4.609 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.265 6.165 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.093 5.788 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.794 6.041 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.257 8.187 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.169 7.893 4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.360 9.361 6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.217 7.907 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.333 8.193 7.631 1.00 0.00 H new ATOM 407 N LYS A 30 -13.762 2.530 2.379 1.00 0.00 N ATOM 408 CA LYS A 30 -14.496 2.244 1.152 1.00 0.00 C ATOM 409 C LYS A 30 -15.662 1.299 1.422 1.00 0.00 C ATOM 410 O LYS A 30 -16.802 1.579 1.049 1.00 0.00 O ATOM 411 CB LYS A 30 -13.562 1.633 0.105 1.00 0.00 C ATOM 412 CG LYS A 30 -14.278 1.169 -1.152 1.00 0.00 C ATOM 413 CD LYS A 30 -14.536 2.323 -2.105 1.00 0.00 C ATOM 414 CE LYS A 30 -15.679 2.012 -3.060 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.104 3.216 -3.827 1.00 0.00 N ATOM 0 H LYS A 30 -13.551 1.708 2.945 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.895 3.184 0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.806 2.369 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.038 0.786 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.679 0.409 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.224 0.701 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.771 3.222 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.631 2.535 -2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.370 1.230 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.527 1.622 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.884 2.963 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.423 3.954 -3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.302 3.573 -4.384 1.00 0.00 H new ATOM 429 N CYS A 31 -15.370 0.178 2.074 1.00 0.00 N ATOM 430 CA CYS A 31 -16.394 -0.808 2.396 1.00 0.00 C ATOM 431 C CYS A 31 -16.692 -0.814 3.893 1.00 0.00 C ATOM 432 O CYS A 31 -17.467 -1.639 4.378 1.00 0.00 O ATOM 433 CB CYS A 31 -15.948 -2.202 1.948 1.00 0.00 C ATOM 434 SG CYS A 31 -14.495 -2.841 2.843 1.00 0.00 S ATOM 0 H CYS A 31 -14.432 -0.070 2.390 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.305 -0.536 1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.777 -2.897 2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.722 -2.174 0.882 1.00 0.00 H new ATOM 439 N SER A 32 -16.072 0.111 4.618 1.00 0.00 N ATOM 440 CA SER A 32 -16.267 0.210 6.059 1.00 0.00 C ATOM 441 C SER A 32 -16.017 -1.134 6.736 1.00 0.00 C ATOM 442 O SER A 32 -16.873 -1.647 7.455 1.00 0.00 O ATOM 443 CB SER A 32 -17.685 0.695 6.371 1.00 0.00 C ATOM 444 OG SER A 32 -17.933 1.959 5.781 1.00 0.00 O ATOM 0 H SER A 32 -15.430 0.803 4.231 1.00 0.00 H new ATOM 0 HA SER A 32 -15.549 0.932 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.410 -0.030 6.002 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.821 0.761 7.450 1.00 0.00 H new ATOM 0 HG SER A 32 -18.846 2.246 5.994 1.00 0.00 H new ATOM 450 N GLU A 33 -14.837 -1.698 6.498 1.00 0.00 N ATOM 451 CA GLU A 33 -14.474 -2.983 7.084 1.00 0.00 C ATOM 452 C GLU A 33 -13.118 -2.901 7.779 1.00 0.00 C ATOM 453 O GLU A 33 -12.436 -1.878 7.714 1.00 0.00 O ATOM 454 CB GLU A 33 -14.441 -4.069 6.006 1.00 0.00 C ATOM 455 CG GLU A 33 -15.819 -4.471 5.506 1.00 0.00 C ATOM 456 CD GLU A 33 -15.838 -5.864 4.906 1.00 0.00 C ATOM 457 OE1 GLU A 33 -15.774 -6.843 5.678 1.00 0.00 O ATOM 458 OE2 GLU A 33 -15.916 -5.974 3.664 1.00 0.00 O ATOM 0 H GLU A 33 -14.117 -1.286 5.904 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.229 -3.240 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.847 -3.715 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.937 -4.950 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.529 -4.425 6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.154 -3.753 4.758 1.00 0.00 H new ATOM 465 N SER A 34 -12.734 -3.986 8.444 1.00 0.00 N ATOM 466 CA SER A 34 -11.462 -4.035 9.155 1.00 0.00 C ATOM 467 C SER A 34 -10.394 -4.725 8.311 1.00 0.00 C ATOM 468 O SER A 34 -10.616 -5.812 7.777 1.00 0.00 O ATOM 469 CB SER A 34 -11.627 -4.769 10.488 1.00 0.00 C ATOM 470 OG SER A 34 -10.447 -4.681 11.268 1.00 0.00 O ATOM 0 H SER A 34 -13.285 -4.842 8.505 1.00 0.00 H new ATOM 0 HA SER A 34 -11.142 -3.011 9.349 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.464 -4.343 11.040 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.867 -5.816 10.303 1.00 0.00 H new ATOM 0 HG SER A 34 -10.578 -5.156 12.115 1.00 0.00 H new ATOM 476 N ILE A 35 -9.235 -4.084 8.196 1.00 0.00 N ATOM 477 CA ILE A 35 -8.133 -4.635 7.418 1.00 0.00 C ATOM 478 C ILE A 35 -7.417 -5.741 8.186 1.00 0.00 C ATOM 479 O ILE A 35 -7.041 -5.581 9.347 1.00 0.00 O ATOM 480 CB ILE A 35 -7.112 -3.546 7.039 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.787 -2.448 6.214 1.00 0.00 C ATOM 482 CG2 ILE A 35 -5.949 -4.155 6.269 1.00 0.00 C ATOM 483 CD1 ILE A 35 -6.962 -1.186 6.098 1.00 0.00 C ATOM 0 H ILE A 35 -9.036 -3.183 8.632 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.566 -5.049 6.507 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.723 -3.100 7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.993 -2.831 5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.748 -2.204 6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.236 -3.373 6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.455 -4.904 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.322 -4.625 5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.502 -0.452 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.777 -0.779 7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.011 -1.416 5.618 1.00 0.00 H new ATOM 495 N PRO A 36 -7.222 -6.891 7.524 1.00 0.00 N ATOM 496 CA PRO A 36 -6.548 -8.046 8.124 1.00 0.00 C ATOM 497 C PRO A 36 -5.058 -7.802 8.335 1.00 0.00 C ATOM 498 O PRO A 36 -4.451 -6.975 7.655 1.00 0.00 O ATOM 499 CB PRO A 36 -6.767 -9.158 7.095 1.00 0.00 C ATOM 500 CG PRO A 36 -6.956 -8.445 5.801 1.00 0.00 C ATOM 501 CD PRO A 36 -7.645 -7.152 6.137 1.00 0.00 C ATOM 0 HA PRO A 36 -6.941 -8.279 9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.912 -9.833 7.054 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.639 -9.763 7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.999 -8.262 5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.556 -9.039 5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.341 -6.348 5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.728 -7.241 6.057 1.00 0.00 H new ATOM 509 N LYS A 37 -4.473 -8.528 9.283 1.00 0.00 N ATOM 510 CA LYS A 37 -3.053 -8.392 9.584 1.00 0.00 C ATOM 511 C LYS A 37 -2.204 -9.096 8.530 1.00 0.00 C ATOM 512 O LYS A 37 -2.664 -10.027 7.870 1.00 0.00 O ATOM 513 CB LYS A 37 -2.747 -8.967 10.969 1.00 0.00 C ATOM 514 CG LYS A 37 -1.263 -9.034 11.285 1.00 0.00 C ATOM 515 CD LYS A 37 -1.015 -9.571 12.685 1.00 0.00 C ATOM 516 CE LYS A 37 0.471 -9.726 12.967 1.00 0.00 C ATOM 517 NZ LYS A 37 0.722 -10.324 14.308 1.00 0.00 N ATOM 0 H LYS A 37 -4.961 -9.217 9.856 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.805 -7.331 9.575 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.244 -8.358 11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.170 -9.969 11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.763 -9.672 10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.825 -8.040 11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.457 -8.896 13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.511 -10.535 12.799 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.923 -10.354 12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.955 -8.751 12.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.747 -10.413 14.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.313 -9.712 15.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.282 -11.265 14.356 1.00 0.00 H new ATOM 531 N ASP A 38 -0.964 -8.645 8.379 1.00 0.00 N ATOM 532 CA ASP A 38 -0.049 -9.233 7.407 1.00 0.00 C ATOM 533 C ASP A 38 -0.700 -9.317 6.030 1.00 0.00 C ATOM 534 O ASP A 38 -0.715 -10.376 5.403 1.00 0.00 O ATOM 535 CB ASP A 38 0.388 -10.625 7.865 1.00 0.00 C ATOM 536 CG ASP A 38 1.052 -10.606 9.228 1.00 0.00 C ATOM 537 OD1 ASP A 38 1.786 -9.637 9.516 1.00 0.00 O ATOM 538 OD2 ASP A 38 0.836 -11.558 10.006 1.00 0.00 O ATOM 0 H ASP A 38 -0.569 -7.874 8.917 1.00 0.00 H new ATOM 0 HA ASP A 38 0.829 -8.591 7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.481 -11.283 7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.079 -11.044 7.134 1.00 0.00 H new ATOM 543 N SER A 39 -1.239 -8.194 5.566 1.00 0.00 N ATOM 544 CA SER A 39 -1.896 -8.142 4.266 1.00 0.00 C ATOM 545 C SER A 39 -1.418 -6.935 3.464 1.00 0.00 C ATOM 546 O SER A 39 -0.809 -6.014 4.009 1.00 0.00 O ATOM 547 CB SER A 39 -3.415 -8.084 4.440 1.00 0.00 C ATOM 548 OG SER A 39 -3.809 -6.882 5.078 1.00 0.00 O ATOM 0 H SER A 39 -1.233 -7.308 6.071 1.00 0.00 H new ATOM 0 HA SER A 39 -1.635 -9.047 3.718 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.899 -8.158 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.750 -8.938 5.028 1.00 0.00 H new ATOM 0 HG SER A 39 -3.846 -7.023 6.047 1.00 0.00 H new ATOM 554 N LEU A 40 -1.699 -6.947 2.165 1.00 0.00 N ATOM 555 CA LEU A 40 -1.299 -5.854 1.286 1.00 0.00 C ATOM 556 C LEU A 40 -2.366 -4.764 1.252 1.00 0.00 C ATOM 557 O LEU A 40 -3.466 -4.975 0.742 1.00 0.00 O ATOM 558 CB LEU A 40 -1.043 -6.378 -0.128 1.00 0.00 C ATOM 559 CG LEU A 40 -0.289 -5.436 -1.067 1.00 0.00 C ATOM 560 CD1 LEU A 40 1.156 -5.280 -0.618 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.352 -5.946 -2.499 1.00 0.00 C ATOM 0 H LEU A 40 -2.202 -7.701 1.698 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.378 -5.423 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.482 -7.309 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.003 -6.621 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.768 -4.457 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.678 -4.606 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.181 -4.868 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.646 -6.253 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.190 -5.263 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.101 -6.936 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.392 -6.005 -2.819 1.00 0.00 H new ATOM 573 N ARG A 41 -2.032 -3.599 1.796 1.00 0.00 N ATOM 574 CA ARG A 41 -2.961 -2.475 1.826 1.00 0.00 C ATOM 575 C ARG A 41 -2.302 -1.210 1.286 1.00 0.00 C ATOM 576 O ARG A 41 -1.086 -1.162 1.100 1.00 0.00 O ATOM 577 CB ARG A 41 -3.457 -2.235 3.253 1.00 0.00 C ATOM 578 CG ARG A 41 -2.375 -1.740 4.199 1.00 0.00 C ATOM 579 CD ARG A 41 -2.872 -1.690 5.636 1.00 0.00 C ATOM 580 NE ARG A 41 -1.774 -1.560 6.590 1.00 0.00 N ATOM 581 CZ ARG A 41 -1.932 -1.137 7.839 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.136 -0.805 8.283 1.00 0.00 N ATOM 583 NH2 ARG A 41 -0.883 -1.046 8.648 1.00 0.00 N ATOM 0 H ARG A 41 -1.125 -3.408 2.222 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.811 -2.721 1.189 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.268 -1.507 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.873 -3.163 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.507 -2.396 4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.047 -0.747 3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.556 -0.850 5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.438 -2.595 5.856 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.834 -1.808 6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.944 -0.874 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.254 -0.481 9.243 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.045 -1.301 8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.005 -0.721 9.607 1.00 0.00 H new ATOM 597 N MET A 42 -3.113 -0.187 1.035 1.00 0.00 N ATOM 598 CA MET A 42 -2.608 1.079 0.516 1.00 0.00 C ATOM 599 C MET A 42 -2.889 2.217 1.492 1.00 0.00 C ATOM 600 O MET A 42 -3.645 2.054 2.449 1.00 0.00 O ATOM 601 CB MET A 42 -3.243 1.388 -0.841 1.00 0.00 C ATOM 602 CG MET A 42 -2.927 0.353 -1.909 1.00 0.00 C ATOM 603 SD MET A 42 -3.404 0.893 -3.562 1.00 0.00 S ATOM 604 CE MET A 42 -1.799 1.209 -4.291 1.00 0.00 C ATOM 0 H MET A 42 -4.122 -0.210 1.183 1.00 0.00 H new ATOM 0 HA MET A 42 -1.529 0.988 0.392 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.324 1.455 -0.720 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.899 2.365 -1.180 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.859 0.137 -1.896 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.443 -0.577 -1.672 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.927 1.552 -5.318 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.282 1.976 -3.714 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.210 0.292 -4.285 1.00 0.00 H new ATOM 614 N ALA A 43 -2.274 3.368 1.244 1.00 0.00 N ATOM 615 CA ALA A 43 -2.459 4.533 2.101 1.00 0.00 C ATOM 616 C ALA A 43 -2.596 5.807 1.273 1.00 0.00 C ATOM 617 O ALA A 43 -1.657 6.220 0.593 1.00 0.00 O ATOM 618 CB ALA A 43 -1.300 4.659 3.078 1.00 0.00 C ATOM 0 H ALA A 43 -1.643 3.519 0.457 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.382 4.396 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.451 5.533 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.249 3.765 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.368 4.769 2.524 1.00 0.00 H new ATOM 624 N ILE A 44 -3.771 6.423 1.335 1.00 0.00 N ATOM 625 CA ILE A 44 -4.030 7.650 0.591 1.00 0.00 C ATOM 626 C ILE A 44 -3.979 8.869 1.506 1.00 0.00 C ATOM 627 O ILE A 44 -4.605 8.889 2.565 1.00 0.00 O ATOM 628 CB ILE A 44 -5.402 7.605 -0.109 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.466 6.421 -1.076 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.664 8.911 -0.843 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.870 6.092 -1.535 1.00 0.00 C ATOM 0 H ILE A 44 -4.559 6.093 1.892 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.248 7.732 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.176 7.474 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.849 6.640 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.035 5.544 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.637 8.864 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.655 9.736 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.888 9.069 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.840 5.243 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.486 5.841 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.297 6.954 -2.047 1.00 0.00 H new ATOM 643 N MET A 45 -3.229 9.884 1.089 1.00 0.00 N ATOM 644 CA MET A 45 -3.098 11.108 1.869 1.00 0.00 C ATOM 645 C MET A 45 -4.128 12.145 1.431 1.00 0.00 C ATOM 646 O MET A 45 -3.964 12.800 0.402 1.00 0.00 O ATOM 647 CB MET A 45 -1.687 11.681 1.726 1.00 0.00 C ATOM 648 CG MET A 45 -0.589 10.676 2.034 1.00 0.00 C ATOM 649 SD MET A 45 -0.848 9.821 3.600 1.00 0.00 S ATOM 650 CE MET A 45 -0.923 11.206 4.733 1.00 0.00 C ATOM 0 H MET A 45 -2.703 9.882 0.215 1.00 0.00 H new ATOM 0 HA MET A 45 -3.278 10.863 2.916 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.555 12.051 0.709 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.582 12.537 2.392 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.537 9.943 1.229 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.372 11.190 2.060 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.866 10.841 5.758 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.088 11.879 4.540 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.861 11.742 4.591 1.00 0.00 H new ATOM 660 N VAL A 46 -5.189 12.289 2.218 1.00 0.00 N ATOM 661 CA VAL A 46 -6.245 13.247 1.912 1.00 0.00 C ATOM 662 C VAL A 46 -6.342 14.321 2.989 1.00 0.00 C ATOM 663 O VAL A 46 -5.680 14.238 4.023 1.00 0.00 O ATOM 664 CB VAL A 46 -7.611 12.550 1.772 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.636 11.667 0.533 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.926 11.740 3.020 1.00 0.00 C ATOM 0 H VAL A 46 -5.340 11.754 3.073 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.984 13.713 0.962 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.379 13.315 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.609 11.183 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.458 12.277 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.858 10.907 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.895 11.254 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.156 10.983 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.953 12.402 3.886 1.00 0.00 H new ATOM 676 N GLN A 47 -7.172 15.328 2.739 1.00 0.00 N ATOM 677 CA GLN A 47 -7.356 16.420 3.688 1.00 0.00 C ATOM 678 C GLN A 47 -8.641 16.235 4.488 1.00 0.00 C ATOM 679 O GLN A 47 -9.690 15.912 3.930 1.00 0.00 O ATOM 680 CB GLN A 47 -7.386 17.762 2.955 1.00 0.00 C ATOM 681 CG GLN A 47 -7.716 18.940 3.857 1.00 0.00 C ATOM 682 CD GLN A 47 -8.165 20.162 3.079 1.00 0.00 C ATOM 683 OE1 GLN A 47 -8.257 20.132 1.852 1.00 0.00 O ATOM 684 NE2 GLN A 47 -8.446 21.247 3.792 1.00 0.00 N ATOM 0 H GLN A 47 -7.728 15.411 1.888 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.514 16.412 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.416 17.933 2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.122 17.712 2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.501 18.650 4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.839 19.195 4.452 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.356 21.227 4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.752 22.100 3.324 1.00 0.00 H new ATOM 693 N SER A 48 -8.552 16.441 5.798 1.00 0.00 N ATOM 694 CA SER A 48 -9.707 16.293 6.676 1.00 0.00 C ATOM 695 C SER A 48 -10.566 17.554 6.660 1.00 0.00 C ATOM 696 O SER A 48 -10.067 18.677 6.728 1.00 0.00 O ATOM 697 CB SER A 48 -9.253 15.989 8.105 1.00 0.00 C ATOM 698 OG SER A 48 -9.121 14.594 8.312 1.00 0.00 O ATOM 0 H SER A 48 -7.692 16.711 6.275 1.00 0.00 H new ATOM 0 HA SER A 48 -10.307 15.461 6.309 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.300 16.480 8.299 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.973 16.398 8.814 1.00 0.00 H new ATOM 0 HG SER A 48 -8.723 14.430 9.192 1.00 0.00 H new ATOM 704 N PRO A 49 -11.891 17.365 6.569 1.00 0.00 N ATOM 705 CA PRO A 49 -12.849 18.474 6.543 1.00 0.00 C ATOM 706 C PRO A 49 -12.944 19.189 7.887 1.00 0.00 C ATOM 707 O PRO A 49 -13.483 20.292 7.976 1.00 0.00 O ATOM 708 CB PRO A 49 -14.176 17.789 6.206 1.00 0.00 C ATOM 709 CG PRO A 49 -14.009 16.387 6.681 1.00 0.00 C ATOM 710 CD PRO A 49 -12.556 16.053 6.485 1.00 0.00 C ATOM 0 HA PRO A 49 -12.560 19.246 5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -15.012 18.279 6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.379 17.823 5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.293 16.294 7.729 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.646 15.705 6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.194 15.369 7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.380 15.574 5.522 1.00 0.00 H new ATOM 718 N MET A 50 -12.419 18.554 8.929 1.00 0.00 N ATOM 719 CA MET A 50 -12.444 19.131 10.267 1.00 0.00 C ATOM 720 C MET A 50 -11.351 20.183 10.426 1.00 0.00 C ATOM 721 O MET A 50 -11.620 21.317 10.826 1.00 0.00 O ATOM 722 CB MET A 50 -12.271 18.036 11.322 1.00 0.00 C ATOM 723 CG MET A 50 -13.541 17.247 11.592 1.00 0.00 C ATOM 724 SD MET A 50 -13.216 15.652 12.368 1.00 0.00 S ATOM 725 CE MET A 50 -12.325 14.814 11.060 1.00 0.00 C ATOM 0 H MET A 50 -11.971 17.639 8.872 1.00 0.00 H new ATOM 0 HA MET A 50 -13.411 19.613 10.409 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.489 17.350 10.997 1.00 0.00 H new ATOM 0 HB3 MET A 50 -11.930 18.490 12.253 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.198 17.832 12.235 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.072 17.089 10.653 1.00 0.00 H new ATOM 0 HE1 MET A 50 -12.466 13.737 11.155 1.00 0.00 H new ATOM 0 HE2 MET A 50 -12.702 15.145 10.093 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.263 15.049 11.135 1.00 0.00 H new ATOM 735 N PHE A 51 -10.117 19.801 10.111 1.00 0.00 N ATOM 736 CA PHE A 51 -8.984 20.712 10.221 1.00 0.00 C ATOM 737 C PHE A 51 -8.269 20.854 8.880 1.00 0.00 C ATOM 738 O PHE A 51 -8.413 20.010 7.995 1.00 0.00 O ATOM 739 CB PHE A 51 -8.003 20.214 11.284 1.00 0.00 C ATOM 740 CG PHE A 51 -7.911 18.717 11.361 1.00 0.00 C ATOM 741 CD1 PHE A 51 -7.233 18.000 10.388 1.00 0.00 C ATOM 742 CD2 PHE A 51 -8.503 18.026 12.407 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.148 16.623 10.456 1.00 0.00 C ATOM 744 CE2 PHE A 51 -8.420 16.648 12.480 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.741 15.946 11.504 1.00 0.00 C ATOM 0 H PHE A 51 -9.877 18.867 9.778 1.00 0.00 H new ATOM 0 HA PHE A 51 -9.363 21.690 10.517 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.014 20.620 11.073 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.306 20.602 12.257 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.766 18.524 9.567 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -9.035 18.570 13.173 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.618 16.076 9.690 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.886 16.121 13.300 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.674 14.870 11.560 1.00 0.00 H new ATOM 755 N ASP A 52 -7.498 21.926 8.738 1.00 0.00 N ATOM 756 CA ASP A 52 -6.760 22.179 7.506 1.00 0.00 C ATOM 757 C ASP A 52 -5.523 21.291 7.421 1.00 0.00 C ATOM 758 O ASP A 52 -4.429 21.760 7.111 1.00 0.00 O ATOM 759 CB ASP A 52 -6.352 23.651 7.424 1.00 0.00 C ATOM 760 CG ASP A 52 -6.031 24.085 6.007 1.00 0.00 C ATOM 761 OD1 ASP A 52 -6.907 23.941 5.129 1.00 0.00 O ATOM 762 OD2 ASP A 52 -4.903 24.569 5.777 1.00 0.00 O ATOM 0 H ASP A 52 -7.368 22.634 9.461 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.413 21.943 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.158 24.271 7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.482 23.820 8.058 1.00 0.00 H new ATOM 767 N GLY A 53 -5.705 20.003 7.701 1.00 0.00 N ATOM 768 CA GLY A 53 -4.595 19.069 7.652 1.00 0.00 C ATOM 769 C GLY A 53 -4.888 17.866 6.778 1.00 0.00 C ATOM 770 O GLY A 53 -5.776 17.909 5.926 1.00 0.00 O ATOM 0 H GLY A 53 -6.601 19.590 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.710 19.581 7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.363 18.732 8.662 1.00 0.00 H new ATOM 774 N LYS A 54 -4.140 16.788 6.988 1.00 0.00 N ATOM 775 CA LYS A 54 -4.323 15.567 6.213 1.00 0.00 C ATOM 776 C LYS A 54 -4.299 14.340 7.118 1.00 0.00 C ATOM 777 O LYS A 54 -3.836 14.404 8.257 1.00 0.00 O ATOM 778 CB LYS A 54 -3.232 15.447 5.146 1.00 0.00 C ATOM 779 CG LYS A 54 -3.397 16.425 3.996 1.00 0.00 C ATOM 780 CD LYS A 54 -2.427 16.125 2.865 1.00 0.00 C ATOM 781 CE LYS A 54 -2.371 17.266 1.861 1.00 0.00 C ATOM 782 NZ LYS A 54 -1.594 16.897 0.645 1.00 0.00 N ATOM 0 H LYS A 54 -3.401 16.735 7.689 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.296 15.619 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.260 15.608 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.232 14.431 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.420 16.378 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.235 17.441 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.432 15.950 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.729 15.208 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.384 17.547 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.919 18.140 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.579 17.701 -0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.620 16.654 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.040 16.079 0.183 1.00 0.00 H new ATOM 796 N VAL A 55 -4.801 13.221 6.605 1.00 0.00 N ATOM 797 CA VAL A 55 -4.835 11.978 7.366 1.00 0.00 C ATOM 798 C VAL A 55 -4.679 10.769 6.451 1.00 0.00 C ATOM 799 O VAL A 55 -5.242 10.710 5.357 1.00 0.00 O ATOM 800 CB VAL A 55 -6.148 11.842 8.160 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.202 12.866 9.283 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.347 11.990 7.235 1.00 0.00 C ATOM 0 H VAL A 55 -5.190 13.150 5.665 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.999 12.011 8.064 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.181 10.848 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.137 12.754 9.833 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.362 12.708 9.960 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.146 13.870 8.863 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.266 11.891 7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.321 12.970 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.314 11.215 6.470 1.00 0.00 H new ATOM 812 N PRO A 56 -3.898 9.779 6.907 1.00 0.00 N ATOM 813 CA PRO A 56 -3.650 8.551 6.146 1.00 0.00 C ATOM 814 C PRO A 56 -4.888 7.665 6.056 1.00 0.00 C ATOM 815 O PRO A 56 -5.391 7.179 7.070 1.00 0.00 O ATOM 816 CB PRO A 56 -2.549 7.852 6.947 1.00 0.00 C ATOM 817 CG PRO A 56 -2.709 8.365 8.337 1.00 0.00 C ATOM 818 CD PRO A 56 -3.196 9.781 8.202 1.00 0.00 C ATOM 0 HA PRO A 56 -3.375 8.761 5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.659 6.768 6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.561 8.086 6.550 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.421 7.759 8.897 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.764 8.327 8.878 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.862 10.056 9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.370 10.492 8.210 1.00 0.00 H new ATOM 826 N HIS A 57 -5.375 7.458 4.836 1.00 0.00 N ATOM 827 CA HIS A 57 -6.554 6.628 4.615 1.00 0.00 C ATOM 828 C HIS A 57 -6.162 5.268 4.047 1.00 0.00 C ATOM 829 O HIS A 57 -5.662 5.173 2.926 1.00 0.00 O ATOM 830 CB HIS A 57 -7.526 7.330 3.665 1.00 0.00 C ATOM 831 CG HIS A 57 -8.292 8.445 4.308 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.480 8.929 3.804 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.033 9.169 5.422 1.00 0.00 C ATOM 834 CE1 HIS A 57 -9.919 9.905 4.579 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.059 10.070 5.569 1.00 0.00 N ATOM 0 H HIS A 57 -4.972 7.853 3.987 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.045 6.473 5.576 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.969 7.725 2.816 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.230 6.597 3.271 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -9.947 8.587 2.964 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.179 9.059 6.074 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.826 10.472 4.429 1.00 0.00 H new ATOM 843 N TRP A 58 -6.392 4.218 4.827 1.00 0.00 N ATOM 844 CA TRP A 58 -6.062 2.862 4.401 1.00 0.00 C ATOM 845 C TRP A 58 -7.209 2.247 3.607 1.00 0.00 C ATOM 846 O TRP A 58 -8.374 2.371 3.984 1.00 0.00 O ATOM 847 CB TRP A 58 -5.739 1.989 5.615 1.00 0.00 C ATOM 848 CG TRP A 58 -4.629 2.535 6.461 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.755 3.267 7.607 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.224 2.393 6.226 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.513 3.588 8.098 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.557 3.063 7.270 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.464 1.763 5.236 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.168 3.121 7.349 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.086 1.822 5.316 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.449 2.496 6.367 1.00 0.00 C ATOM 0 H TRP A 58 -6.805 4.279 5.757 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.185 2.913 3.756 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.635 1.885 6.227 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.468 0.990 5.273 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.693 3.552 8.060 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.332 4.130 8.943 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.945 1.240 4.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.675 3.641 8.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.489 1.340 4.556 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.630 2.522 6.402 1.00 0.00 H new ATOM 867 N TYR A 59 -6.871 1.584 2.507 1.00 0.00 N ATOM 868 CA TYR A 59 -7.874 0.951 1.658 1.00 0.00 C ATOM 869 C TYR A 59 -7.467 -0.477 1.307 1.00 0.00 C ATOM 870 O TYR A 59 -6.283 -0.816 1.308 1.00 0.00 O ATOM 871 CB TYR A 59 -8.078 1.765 0.379 1.00 0.00 C ATOM 872 CG TYR A 59 -8.845 3.049 0.595 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.231 3.077 0.506 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.184 4.236 0.889 1.00 0.00 C ATOM 875 CE1 TYR A 59 -10.937 4.249 0.701 1.00 0.00 C ATOM 876 CE2 TYR A 59 -8.881 5.412 1.087 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.257 5.413 0.992 1.00 0.00 C ATOM 878 OH TYR A 59 -10.956 6.582 1.189 1.00 0.00 O ATOM 0 H TYR A 59 -5.911 1.471 2.182 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.812 0.916 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.104 2.001 -0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.608 1.153 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.766 2.167 0.280 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.107 4.239 0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.014 4.253 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.352 6.325 1.315 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.329 7.309 1.386 1.00 0.00 H new ATOM 888 N HIS A 60 -8.458 -1.310 1.004 1.00 0.00 N ATOM 889 CA HIS A 60 -8.204 -2.702 0.649 1.00 0.00 C ATOM 890 C HIS A 60 -7.611 -2.805 -0.753 1.00 0.00 C ATOM 891 O HIS A 60 -8.095 -2.172 -1.691 1.00 0.00 O ATOM 892 CB HIS A 60 -9.497 -3.514 0.729 1.00 0.00 C ATOM 893 CG HIS A 60 -9.877 -3.898 2.126 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.084 -3.556 2.699 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.203 -4.602 3.065 1.00 0.00 C ATOM 896 CE1 HIS A 60 -11.134 -4.030 3.931 1.00 0.00 C ATOM 897 NE2 HIS A 60 -10.005 -4.669 4.177 1.00 0.00 N ATOM 0 H HIS A 60 -9.443 -1.046 0.997 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.484 -3.108 1.360 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.308 -2.935 0.287 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.387 -4.418 0.130 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.218 -5.031 2.959 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.958 -3.915 4.620 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.767 -5.137 5.052 1.00 0.00 H new ATOM 905 N PHE A 61 -6.560 -3.607 -0.888 1.00 0.00 N ATOM 906 CA PHE A 61 -5.899 -3.791 -2.175 1.00 0.00 C ATOM 907 C PHE A 61 -6.907 -3.724 -3.318 1.00 0.00 C ATOM 908 O PHE A 61 -6.588 -3.264 -4.415 1.00 0.00 O ATOM 909 CB PHE A 61 -5.164 -5.133 -2.207 1.00 0.00 C ATOM 910 CG PHE A 61 -4.394 -5.364 -3.475 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.366 -4.511 -3.843 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.698 -6.435 -4.301 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.655 -4.721 -5.009 1.00 0.00 C ATOM 914 CE2 PHE A 61 -3.990 -6.650 -5.468 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.968 -5.792 -5.823 1.00 0.00 C ATOM 0 H PHE A 61 -6.148 -4.140 -0.122 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.176 -2.985 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.479 -5.183 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.888 -5.938 -2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.117 -3.672 -3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.497 -7.109 -4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.856 -4.049 -5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.236 -7.489 -6.102 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.414 -5.958 -6.735 1.00 0.00 H new ATOM 925 N SER A 62 -8.125 -4.185 -3.054 1.00 0.00 N ATOM 926 CA SER A 62 -9.180 -4.182 -4.061 1.00 0.00 C ATOM 927 C SER A 62 -9.985 -2.887 -4.000 1.00 0.00 C ATOM 928 O SER A 62 -10.126 -2.182 -5.000 1.00 0.00 O ATOM 929 CB SER A 62 -10.108 -5.382 -3.863 1.00 0.00 C ATOM 930 OG SER A 62 -11.251 -5.285 -4.694 1.00 0.00 O ATOM 0 H SER A 62 -8.406 -4.566 -2.150 1.00 0.00 H new ATOM 0 HA SER A 62 -8.711 -4.253 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.569 -6.303 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.417 -5.438 -2.819 1.00 0.00 H new ATOM 0 HG SER A 62 -11.827 -6.064 -4.550 1.00 0.00 H new ATOM 936 N CYS A 63 -10.511 -2.579 -2.819 1.00 0.00 N ATOM 937 CA CYS A 63 -11.302 -1.370 -2.626 1.00 0.00 C ATOM 938 C CYS A 63 -10.626 -0.168 -3.278 1.00 0.00 C ATOM 939 O CYS A 63 -11.278 0.642 -3.938 1.00 0.00 O ATOM 940 CB CYS A 63 -11.510 -1.105 -1.133 1.00 0.00 C ATOM 941 SG CYS A 63 -12.716 -2.217 -0.342 1.00 0.00 S ATOM 0 H CYS A 63 -10.403 -3.151 -1.981 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.272 -1.520 -3.100 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.553 -1.201 -0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.840 -0.075 -1.000 1.00 0.00 H new ATOM 946 N PHE A 64 -9.316 -0.058 -3.089 1.00 0.00 N ATOM 947 CA PHE A 64 -8.551 1.046 -3.657 1.00 0.00 C ATOM 948 C PHE A 64 -8.789 1.155 -5.160 1.00 0.00 C ATOM 949 O PHE A 64 -8.790 2.251 -5.722 1.00 0.00 O ATOM 950 CB PHE A 64 -7.058 0.857 -3.378 1.00 0.00 C ATOM 951 CG PHE A 64 -6.195 1.923 -3.989 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.952 1.939 -5.354 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.626 2.910 -3.200 1.00 0.00 C ATOM 954 CE1 PHE A 64 -5.157 2.919 -5.918 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.831 3.892 -3.759 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.597 3.897 -5.120 1.00 0.00 C ATOM 0 H PHE A 64 -8.761 -0.720 -2.547 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.887 1.969 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.897 0.844 -2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.745 -0.115 -3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.389 1.178 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.806 2.912 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.974 2.920 -6.982 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.393 4.655 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.977 4.664 -5.559 1.00 0.00 H new ATOM 966 N TRP A 65 -8.990 0.012 -5.806 1.00 0.00 N ATOM 967 CA TRP A 65 -9.229 -0.022 -7.244 1.00 0.00 C ATOM 968 C TRP A 65 -10.714 0.135 -7.553 1.00 0.00 C ATOM 969 O TRP A 65 -11.163 -0.166 -8.659 1.00 0.00 O ATOM 970 CB TRP A 65 -8.707 -1.332 -7.838 1.00 0.00 C ATOM 971 CG TRP A 65 -7.251 -1.566 -7.572 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.698 -2.627 -6.914 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.163 -0.719 -7.957 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.332 -2.491 -6.867 1.00 0.00 N ATOM 975 CE2 TRP A 65 -4.978 -1.329 -7.500 1.00 0.00 C ATOM 976 CE3 TRP A 65 -6.074 0.494 -8.645 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.723 -0.765 -7.709 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.827 1.053 -8.851 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.665 0.423 -8.386 1.00 0.00 C ATOM 0 H TRP A 65 -8.992 -0.904 -5.357 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.693 0.813 -7.696 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.282 -2.163 -7.429 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.876 -1.327 -8.915 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.253 -3.452 -6.492 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.686 -3.149 -6.431 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.964 0.986 -9.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.826 -1.248 -7.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.747 1.991 -9.379 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.705 0.884 -8.565 1.00 0.00 H new ATOM 990 N LYS A 66 -11.472 0.608 -6.570 1.00 0.00 N ATOM 991 CA LYS A 66 -12.906 0.807 -6.737 1.00 0.00 C ATOM 992 C LYS A 66 -13.245 2.292 -6.813 1.00 0.00 C ATOM 993 O LYS A 66 -14.020 2.719 -7.669 1.00 0.00 O ATOM 994 CB LYS A 66 -13.670 0.157 -5.581 1.00 0.00 C ATOM 995 CG LYS A 66 -13.399 -1.330 -5.431 1.00 0.00 C ATOM 996 CD LYS A 66 -14.150 -2.141 -6.473 1.00 0.00 C ATOM 997 CE LYS A 66 -14.149 -3.624 -6.132 1.00 0.00 C ATOM 998 NZ LYS A 66 -14.961 -3.914 -4.919 1.00 0.00 N ATOM 0 H LYS A 66 -11.116 0.861 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.206 0.336 -7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.404 0.661 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.739 0.309 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.329 -1.517 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.694 -1.656 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.177 -1.783 -6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.693 -1.991 -7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.542 -4.191 -6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.124 -3.959 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.205 -4.925 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.413 -3.672 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.833 -3.348 -4.941 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.658 3.075 -5.913 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.895 4.513 -5.880 1.00 0.00 C ATOM 1014 C VAL A 67 -12.520 5.162 -7.208 1.00 0.00 C ATOM 1015 O VAL A 67 -13.163 6.113 -7.649 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.098 5.188 -4.748 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.731 4.889 -3.398 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.646 4.735 -4.777 1.00 0.00 C ATOM 0 H VAL A 67 -12.015 2.737 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.960 4.654 -5.698 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.122 6.267 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.154 5.374 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.753 5.266 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.739 3.812 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.097 5.221 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.600 3.654 -4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.200 5.005 -5.734 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.473 4.641 -7.840 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.030 5.183 -9.112 1.00 0.00 C ATOM 1030 C GLY A 68 -9.677 5.860 -9.014 1.00 0.00 C ATOM 1031 O GLY A 68 -9.477 6.946 -9.560 1.00 0.00 O ATOM 0 H GLY A 68 -10.924 3.854 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.979 4.380 -9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.766 5.900 -9.474 1.00 0.00 H new ATOM 1035 N HIS A 69 -8.746 5.220 -8.314 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.405 5.769 -8.145 1.00 0.00 C ATOM 1037 C HIS A 69 -6.434 5.148 -9.145 1.00 0.00 C ATOM 1038 O HIS A 69 -5.749 4.173 -8.835 1.00 0.00 O ATOM 1039 CB HIS A 69 -6.909 5.530 -6.719 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.314 6.604 -5.756 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.051 7.941 -5.966 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -7.969 6.531 -4.573 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.524 8.644 -4.953 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.086 7.813 -4.095 1.00 0.00 N ATOM 0 H HIS A 69 -8.895 4.321 -7.855 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.453 6.842 -8.330 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.292 4.573 -6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.822 5.454 -6.729 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.331 5.633 -4.095 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.462 9.717 -4.845 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.535 8.080 -3.219 1.00 0.00 H new ATOM 1052 N SER A 70 -6.381 5.718 -10.344 1.00 0.00 N ATOM 1053 CA SER A 70 -5.497 5.218 -11.390 1.00 0.00 C ATOM 1054 C SER A 70 -4.036 5.486 -11.042 1.00 0.00 C ATOM 1055 O SER A 70 -3.720 6.450 -10.344 1.00 0.00 O ATOM 1056 CB SER A 70 -5.841 5.868 -12.732 1.00 0.00 C ATOM 1057 OG SER A 70 -6.916 5.194 -13.364 1.00 0.00 O ATOM 0 H SER A 70 -6.940 6.527 -10.615 1.00 0.00 H new ATOM 0 HA SER A 70 -5.642 4.140 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.105 6.914 -12.576 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.966 5.853 -13.382 1.00 0.00 H new ATOM 0 HG SER A 70 -7.118 5.629 -14.219 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.150 4.627 -11.533 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.722 4.771 -11.275 1.00 0.00 C ATOM 1065 C ILE A 71 -0.899 4.332 -12.481 1.00 0.00 C ATOM 1066 O ILE A 71 -0.923 3.164 -12.870 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.287 3.953 -10.045 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.018 4.444 -8.794 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.220 4.043 -9.855 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.961 3.469 -7.639 1.00 0.00 C ATOM 0 H ILE A 71 -3.395 3.824 -12.112 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.541 5.828 -11.080 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.551 2.908 -10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.585 5.393 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.061 4.637 -9.045 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.512 3.460 -8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.722 3.650 -10.739 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.507 5.084 -9.708 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.500 3.883 -6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.421 2.526 -7.936 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.922 3.294 -7.361 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.169 5.275 -13.067 1.00 0.00 N ATOM 1083 CA ARG A 72 0.663 4.986 -14.229 1.00 0.00 C ATOM 1084 C ARG A 72 1.861 4.126 -13.838 1.00 0.00 C ATOM 1085 O ARG A 72 2.070 3.045 -14.391 1.00 0.00 O ATOM 1086 CB ARG A 72 1.144 6.287 -14.875 1.00 0.00 C ATOM 1087 CG ARG A 72 0.015 7.167 -15.386 1.00 0.00 C ATOM 1088 CD ARG A 72 0.472 8.047 -16.538 1.00 0.00 C ATOM 1089 NE ARG A 72 -0.638 8.775 -17.146 1.00 0.00 N ATOM 1090 CZ ARG A 72 -0.929 8.724 -18.441 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -0.195 7.983 -19.260 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -1.957 9.414 -18.919 1.00 0.00 N ATOM 0 H ARG A 72 -0.137 6.246 -12.756 1.00 0.00 H new ATOM 0 HA ARG A 72 0.060 4.433 -14.949 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.730 6.849 -14.148 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.810 6.047 -15.704 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.816 6.542 -15.712 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.356 7.792 -14.574 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.217 8.757 -16.178 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.958 7.430 -17.294 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.222 9.355 -16.543 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.595 7.450 -18.896 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.421 7.946 -20.254 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.524 9.984 -18.292 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.180 9.374 -19.914 1.00 0.00 H new ATOM 1106 N HIS A 73 2.647 4.614 -12.883 1.00 0.00 N ATOM 1107 CA HIS A 73 3.825 3.890 -12.419 1.00 0.00 C ATOM 1108 C HIS A 73 3.802 3.732 -10.901 1.00 0.00 C ATOM 1109 O HIS A 73 4.273 4.591 -10.156 1.00 0.00 O ATOM 1110 CB HIS A 73 5.099 4.618 -12.848 1.00 0.00 C ATOM 1111 CG HIS A 73 5.037 5.161 -14.242 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.619 4.531 -15.322 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.457 6.282 -14.731 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.400 5.242 -16.414 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.696 6.309 -16.082 1.00 0.00 N ATOM 0 H HIS A 73 2.489 5.507 -12.416 1.00 0.00 H new ATOM 0 HA HIS A 73 3.813 2.898 -12.871 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.290 5.438 -12.156 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.943 3.933 -12.771 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.908 7.019 -14.163 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.739 4.993 -17.409 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.381 7.035 -16.725 1.00 0.00 H new ATOM 1123 N PRO A 74 3.242 2.607 -10.431 1.00 0.00 N ATOM 1124 CA PRO A 74 3.144 2.311 -8.999 1.00 0.00 C ATOM 1125 C PRO A 74 4.503 2.011 -8.375 1.00 0.00 C ATOM 1126 O PRO A 74 4.594 1.684 -7.192 1.00 0.00 O ATOM 1127 CB PRO A 74 2.249 1.069 -8.954 1.00 0.00 C ATOM 1128 CG PRO A 74 2.435 0.420 -10.282 1.00 0.00 C ATOM 1129 CD PRO A 74 2.661 1.539 -11.262 1.00 0.00 C ATOM 0 HA PRO A 74 2.752 3.157 -8.434 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.539 0.401 -8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.206 1.338 -8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.284 -0.263 -10.267 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.558 -0.167 -10.556 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.337 1.241 -12.064 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.730 1.856 -11.731 1.00 0.00 H new ATOM 1137 N ASP A 75 5.555 2.124 -9.178 1.00 0.00 N ATOM 1138 CA ASP A 75 6.910 1.866 -8.704 1.00 0.00 C ATOM 1139 C ASP A 75 7.494 3.103 -8.028 1.00 0.00 C ATOM 1140 O ASP A 75 8.150 3.006 -6.992 1.00 0.00 O ATOM 1141 CB ASP A 75 7.806 1.433 -9.865 1.00 0.00 C ATOM 1142 CG ASP A 75 7.065 0.590 -10.885 1.00 0.00 C ATOM 1143 OD1 ASP A 75 6.375 1.173 -11.747 1.00 0.00 O ATOM 1144 OD2 ASP A 75 7.174 -0.652 -10.820 1.00 0.00 O ATOM 0 H ASP A 75 5.496 2.393 -10.160 1.00 0.00 H new ATOM 0 HA ASP A 75 6.865 1.061 -7.971 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.213 2.317 -10.355 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.652 0.867 -9.476 1.00 0.00 H new ATOM 1149 N VAL A 76 7.250 4.266 -8.624 1.00 0.00 N ATOM 1150 CA VAL A 76 7.752 5.523 -8.081 1.00 0.00 C ATOM 1151 C VAL A 76 6.619 6.361 -7.499 1.00 0.00 C ATOM 1152 O VAL A 76 6.821 7.128 -6.559 1.00 0.00 O ATOM 1153 CB VAL A 76 8.485 6.346 -9.156 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.768 5.648 -9.581 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.578 6.588 -10.353 1.00 0.00 C ATOM 0 H VAL A 76 6.708 4.364 -9.483 1.00 0.00 H new ATOM 0 HA VAL A 76 8.455 5.267 -7.288 1.00 0.00 H new ATOM 0 HB VAL A 76 8.750 7.313 -8.729 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.272 6.245 -10.341 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.423 5.533 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.530 4.666 -9.990 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.113 7.171 -11.103 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.279 5.632 -10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.691 7.135 -10.033 1.00 0.00 H new ATOM 1165 N GLU A 77 5.426 6.209 -8.066 1.00 0.00 N ATOM 1166 CA GLU A 77 4.260 6.953 -7.603 1.00 0.00 C ATOM 1167 C GLU A 77 3.714 6.358 -6.309 1.00 0.00 C ATOM 1168 O GLU A 77 3.357 7.083 -5.381 1.00 0.00 O ATOM 1169 CB GLU A 77 3.170 6.956 -8.677 1.00 0.00 C ATOM 1170 CG GLU A 77 3.530 7.771 -9.908 1.00 0.00 C ATOM 1171 CD GLU A 77 2.309 8.219 -10.688 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.635 7.354 -11.285 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.028 9.436 -10.700 1.00 0.00 O ATOM 0 H GLU A 77 5.242 5.578 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 77 4.570 7.980 -7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.966 5.929 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.249 7.350 -8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.104 8.646 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.174 7.177 -10.557 1.00 0.00 H new ATOM 1180 N VAL A 78 3.651 5.031 -6.255 1.00 0.00 N ATOM 1181 CA VAL A 78 3.148 4.337 -5.076 1.00 0.00 C ATOM 1182 C VAL A 78 4.293 3.847 -4.196 1.00 0.00 C ATOM 1183 O VAL A 78 4.907 2.817 -4.475 1.00 0.00 O ATOM 1184 CB VAL A 78 2.265 3.136 -5.464 1.00 0.00 C ATOM 1185 CG1 VAL A 78 1.781 2.405 -4.222 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.090 3.594 -6.315 1.00 0.00 C ATOM 0 H VAL A 78 3.942 4.415 -7.014 1.00 0.00 H new ATOM 0 HA VAL A 78 2.547 5.056 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 78 2.864 2.442 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.159 1.560 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.639 2.044 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.198 3.087 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.476 2.734 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.489 4.308 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.462 4.069 -7.223 1.00 0.00 H new ATOM 1196 N ASP A 79 4.576 4.593 -3.134 1.00 0.00 N ATOM 1197 CA ASP A 79 5.648 4.234 -2.212 1.00 0.00 C ATOM 1198 C ASP A 79 5.463 2.812 -1.691 1.00 0.00 C ATOM 1199 O ASP A 79 4.400 2.214 -1.851 1.00 0.00 O ATOM 1200 CB ASP A 79 5.692 5.217 -1.041 1.00 0.00 C ATOM 1201 CG ASP A 79 6.942 5.058 -0.198 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.046 5.334 -0.715 1.00 0.00 O ATOM 1203 OD2 ASP A 79 6.818 4.658 0.978 1.00 0.00 O ATOM 0 H ASP A 79 4.079 5.449 -2.890 1.00 0.00 H new ATOM 0 HA ASP A 79 6.592 4.283 -2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.643 6.236 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.813 5.070 -0.414 1.00 0.00 H new ATOM 1208 N GLY A 80 6.508 2.275 -1.068 1.00 0.00 N ATOM 1209 CA GLY A 80 6.441 0.927 -0.535 1.00 0.00 C ATOM 1210 C GLY A 80 6.626 -0.130 -1.605 1.00 0.00 C ATOM 1211 O GLY A 80 7.328 -1.120 -1.397 1.00 0.00 O ATOM 0 H GLY A 80 7.399 2.749 -0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.208 0.804 0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.478 0.780 -0.047 1.00 0.00 H new ATOM 1215 N PHE A 81 5.993 0.078 -2.755 1.00 0.00 N ATOM 1216 CA PHE A 81 6.089 -0.866 -3.862 1.00 0.00 C ATOM 1217 C PHE A 81 7.493 -1.459 -3.952 1.00 0.00 C ATOM 1218 O PHE A 81 7.665 -2.677 -3.944 1.00 0.00 O ATOM 1219 CB PHE A 81 5.729 -0.178 -5.181 1.00 0.00 C ATOM 1220 CG PHE A 81 5.872 -1.069 -6.381 1.00 0.00 C ATOM 1221 CD1 PHE A 81 4.819 -1.869 -6.796 1.00 0.00 C ATOM 1222 CD2 PHE A 81 7.059 -1.107 -7.095 1.00 0.00 C ATOM 1223 CE1 PHE A 81 4.948 -2.690 -7.900 1.00 0.00 C ATOM 1224 CE2 PHE A 81 7.194 -1.926 -8.200 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.137 -2.718 -8.603 1.00 0.00 C ATOM 0 H PHE A 81 5.408 0.892 -2.944 1.00 0.00 H new ATOM 0 HA PHE A 81 5.383 -1.675 -3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.701 0.181 -5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.366 0.697 -5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.887 -1.850 -6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.889 -0.489 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.120 -3.309 -8.213 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.125 -1.947 -8.747 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.240 -3.358 -9.467 1.00 0.00 H new ATOM 1235 N SER A 82 8.492 -0.587 -4.038 1.00 0.00 N ATOM 1236 CA SER A 82 9.880 -1.022 -4.134 1.00 0.00 C ATOM 1237 C SER A 82 10.216 -2.015 -3.025 1.00 0.00 C ATOM 1238 O SER A 82 10.884 -3.021 -3.260 1.00 0.00 O ATOM 1239 CB SER A 82 10.821 0.182 -4.058 1.00 0.00 C ATOM 1240 OG SER A 82 12.160 -0.199 -4.325 1.00 0.00 O ATOM 0 H SER A 82 8.366 0.425 -4.043 1.00 0.00 H new ATOM 0 HA SER A 82 10.013 -1.518 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.505 0.940 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.759 0.634 -3.068 1.00 0.00 H new ATOM 0 HG SER A 82 12.741 0.588 -4.272 1.00 0.00 H new ATOM 1246 N GLU A 83 9.747 -1.723 -1.816 1.00 0.00 N ATOM 1247 CA GLU A 83 9.998 -2.589 -0.670 1.00 0.00 C ATOM 1248 C GLU A 83 9.400 -3.975 -0.895 1.00 0.00 C ATOM 1249 O GLU A 83 10.018 -4.990 -0.571 1.00 0.00 O ATOM 1250 CB GLU A 83 9.416 -1.971 0.603 1.00 0.00 C ATOM 1251 CG GLU A 83 10.105 -0.684 1.024 1.00 0.00 C ATOM 1252 CD GLU A 83 9.929 -0.384 2.500 1.00 0.00 C ATOM 1253 OE1 GLU A 83 8.839 0.092 2.883 1.00 0.00 O ATOM 1254 OE2 GLU A 83 10.880 -0.626 3.273 1.00 0.00 O ATOM 0 H GLU A 83 9.192 -0.894 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 83 11.077 -2.691 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.356 -1.772 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.489 -2.695 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.168 -0.754 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.707 0.145 0.439 1.00 0.00 H new ATOM 1261 N LEU A 84 8.194 -4.009 -1.450 1.00 0.00 N ATOM 1262 CA LEU A 84 7.511 -5.270 -1.718 1.00 0.00 C ATOM 1263 C LEU A 84 8.413 -6.224 -2.494 1.00 0.00 C ATOM 1264 O LEU A 84 9.346 -5.797 -3.175 1.00 0.00 O ATOM 1265 CB LEU A 84 6.222 -5.018 -2.502 1.00 0.00 C ATOM 1266 CG LEU A 84 5.188 -4.119 -1.823 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.130 -3.674 -2.821 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.545 -4.840 -0.647 1.00 0.00 C ATOM 0 H LEU A 84 7.669 -3.178 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 84 7.263 -5.731 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.485 -4.574 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.755 -5.980 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 84 5.697 -3.232 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.403 -3.035 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.604 -3.119 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.624 -4.549 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.812 -4.185 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.050 -5.744 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.312 -5.108 0.079 1.00 0.00 H new ATOM 1280 N ARG A 85 8.128 -7.518 -2.388 1.00 0.00 N ATOM 1281 CA ARG A 85 8.913 -8.533 -3.080 1.00 0.00 C ATOM 1282 C ARG A 85 8.594 -8.543 -4.572 1.00 0.00 C ATOM 1283 O ARG A 85 7.515 -8.122 -4.988 1.00 0.00 O ATOM 1284 CB ARG A 85 8.644 -9.914 -2.480 1.00 0.00 C ATOM 1285 CG ARG A 85 9.249 -10.107 -1.099 1.00 0.00 C ATOM 1286 CD ARG A 85 10.652 -10.689 -1.183 1.00 0.00 C ATOM 1287 NE ARG A 85 11.642 -9.681 -1.554 1.00 0.00 N ATOM 1288 CZ ARG A 85 12.937 -9.940 -1.695 1.00 0.00 C ATOM 1289 NH1 ARG A 85 13.396 -11.168 -1.498 1.00 0.00 N ATOM 1290 NH2 ARG A 85 13.775 -8.969 -2.035 1.00 0.00 N ATOM 0 H ARG A 85 7.359 -7.888 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 85 9.968 -8.289 -2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.567 -10.071 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.041 -10.676 -3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.281 -9.150 -0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.613 -10.769 -0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.922 -11.125 -0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.666 -11.497 -1.914 1.00 0.00 H new ATOM 0 HE ARG A 85 11.321 -8.726 -1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.754 -11.917 -1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.391 -11.364 -1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.425 -8.023 -2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.769 -9.168 -2.143 1.00 0.00 H new ATOM 1304 N TRP A 86 9.539 -9.026 -5.371 1.00 0.00 N ATOM 1305 CA TRP A 86 9.358 -9.091 -6.816 1.00 0.00 C ATOM 1306 C TRP A 86 7.955 -9.572 -7.168 1.00 0.00 C ATOM 1307 O TRP A 86 7.251 -8.941 -7.957 1.00 0.00 O ATOM 1308 CB TRP A 86 10.401 -10.019 -7.441 1.00 0.00 C ATOM 1309 CG TRP A 86 10.291 -10.118 -8.932 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.963 -9.368 -9.855 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.459 -11.017 -9.672 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.599 -9.747 -11.124 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.678 -10.757 -11.040 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.551 -12.018 -9.314 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 9.021 -11.461 -12.045 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.900 -12.715 -10.313 1.00 0.00 C ATOM 1317 CH2 TRP A 86 8.138 -12.435 -11.665 1.00 0.00 C ATOM 0 H TRP A 86 10.438 -9.378 -5.042 1.00 0.00 H new ATOM 0 HA TRP A 86 9.489 -8.087 -7.219 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.397 -9.662 -7.180 1.00 0.00 H new ATOM 0 HB3 TRP A 86 10.296 -11.014 -7.009 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.676 -8.591 -9.621 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.957 -9.342 -11.989 1.00 0.00 H new ATOM 0 HE3 TRP A 86 8.362 -12.242 -8.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.202 -11.246 -13.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 7.195 -13.489 -10.047 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.614 -12.999 -12.422 1.00 0.00 H new ATOM 1328 N ASP A 87 7.554 -10.693 -6.579 1.00 0.00 N ATOM 1329 CA ASP A 87 6.233 -11.259 -6.830 1.00 0.00 C ATOM 1330 C ASP A 87 5.149 -10.197 -6.676 1.00 0.00 C ATOM 1331 O ASP A 87 4.334 -9.992 -7.576 1.00 0.00 O ATOM 1332 CB ASP A 87 5.963 -12.423 -5.875 1.00 0.00 C ATOM 1333 CG ASP A 87 6.417 -12.127 -4.459 1.00 0.00 C ATOM 1334 OD1 ASP A 87 7.640 -12.158 -4.209 1.00 0.00 O ATOM 1335 OD2 ASP A 87 5.548 -11.863 -3.601 1.00 0.00 O ATOM 0 H ASP A 87 8.124 -11.228 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 87 6.212 -11.628 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.896 -12.647 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.475 -13.314 -6.239 1.00 0.00 H new ATOM 1340 N ASP A 88 5.145 -9.525 -5.530 1.00 0.00 N ATOM 1341 CA ASP A 88 4.161 -8.484 -5.258 1.00 0.00 C ATOM 1342 C ASP A 88 4.230 -7.382 -6.311 1.00 0.00 C ATOM 1343 O ASP A 88 3.211 -6.989 -6.879 1.00 0.00 O ATOM 1344 CB ASP A 88 4.385 -7.891 -3.866 1.00 0.00 C ATOM 1345 CG ASP A 88 3.949 -8.831 -2.759 1.00 0.00 C ATOM 1346 OD1 ASP A 88 3.885 -10.052 -3.010 1.00 0.00 O ATOM 1347 OD2 ASP A 88 3.672 -8.345 -1.643 1.00 0.00 O ATOM 0 H ASP A 88 5.812 -9.683 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 88 3.170 -8.937 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.441 -7.653 -3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.835 -6.954 -3.781 1.00 0.00 H new ATOM 1352 N GLN A 89 5.437 -6.887 -6.564 1.00 0.00 N ATOM 1353 CA GLN A 89 5.638 -5.830 -7.547 1.00 0.00 C ATOM 1354 C GLN A 89 4.827 -6.099 -8.811 1.00 0.00 C ATOM 1355 O GLN A 89 4.157 -5.208 -9.331 1.00 0.00 O ATOM 1356 CB GLN A 89 7.122 -5.704 -7.896 1.00 0.00 C ATOM 1357 CG GLN A 89 7.979 -5.206 -6.744 1.00 0.00 C ATOM 1358 CD GLN A 89 9.330 -4.691 -7.200 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.833 -5.084 -8.253 1.00 0.00 O ATOM 1360 NE2 GLN A 89 9.925 -3.807 -6.408 1.00 0.00 N ATOM 0 H GLN A 89 6.290 -7.201 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 89 5.294 -4.893 -7.110 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.494 -6.676 -8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.231 -5.023 -8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.449 -4.410 -6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.126 -6.016 -6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.471 -3.509 -5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.836 -3.425 -6.663 1.00 0.00 H new ATOM 1369 N GLN A 90 4.894 -7.334 -9.298 1.00 0.00 N ATOM 1370 CA GLN A 90 4.167 -7.720 -10.501 1.00 0.00 C ATOM 1371 C GLN A 90 2.661 -7.705 -10.256 1.00 0.00 C ATOM 1372 O GLN A 90 1.895 -7.175 -11.061 1.00 0.00 O ATOM 1373 CB GLN A 90 4.606 -9.110 -10.965 1.00 0.00 C ATOM 1374 CG GLN A 90 5.959 -9.121 -11.657 1.00 0.00 C ATOM 1375 CD GLN A 90 5.917 -8.480 -13.031 1.00 0.00 C ATOM 1376 OE1 GLN A 90 4.863 -8.410 -13.664 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.067 -8.008 -13.499 1.00 0.00 N ATOM 0 H GLN A 90 5.444 -8.084 -8.878 1.00 0.00 H new ATOM 0 HA GLN A 90 4.397 -6.995 -11.282 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.642 -9.777 -10.104 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.855 -9.510 -11.646 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.684 -8.595 -11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.307 -10.150 -11.751 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.916 -8.088 -12.940 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.101 -7.566 -14.418 1.00 0.00 H new ATOM 1386 N LYS A 91 2.244 -8.290 -9.139 1.00 0.00 N ATOM 1387 CA LYS A 91 0.830 -8.344 -8.785 1.00 0.00 C ATOM 1388 C LYS A 91 0.199 -6.957 -8.854 1.00 0.00 C ATOM 1389 O LYS A 91 -0.873 -6.780 -9.433 1.00 0.00 O ATOM 1390 CB LYS A 91 0.656 -8.926 -7.380 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.795 -9.124 -6.979 1.00 0.00 C ATOM 1392 CD LYS A 91 -0.937 -9.326 -5.480 1.00 0.00 C ATOM 1393 CE LYS A 91 -2.284 -9.936 -5.124 1.00 0.00 C ATOM 1394 NZ LYS A 91 -2.595 -9.787 -3.676 1.00 0.00 N ATOM 0 H LYS A 91 2.865 -8.734 -8.462 1.00 0.00 H new ATOM 0 HA LYS A 91 0.326 -8.990 -9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.173 -9.884 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.136 -8.264 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.380 -8.257 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.204 -9.988 -7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.137 -9.974 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.824 -8.369 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.066 -9.459 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.285 -10.993 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.521 -10.215 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.862 -10.264 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.619 -8.777 -3.428 1.00 0.00 H new ATOM 1408 N VAL A 92 0.871 -5.976 -8.260 1.00 0.00 N ATOM 1409 CA VAL A 92 0.377 -4.604 -8.256 1.00 0.00 C ATOM 1410 C VAL A 92 0.423 -4.000 -9.655 1.00 0.00 C ATOM 1411 O VAL A 92 -0.511 -3.320 -10.081 1.00 0.00 O ATOM 1412 CB VAL A 92 1.193 -3.717 -7.298 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.691 -2.281 -7.341 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.134 -4.268 -5.881 1.00 0.00 C ATOM 0 H VAL A 92 1.759 -6.106 -7.775 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.657 -4.640 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 92 2.233 -3.723 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.280 -1.669 -6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.790 -1.891 -8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.357 -2.253 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.716 -3.629 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.098 -4.294 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.546 -5.277 -5.866 1.00 0.00 H new ATOM 1424 N LYS A 93 1.516 -4.251 -10.367 1.00 0.00 N ATOM 1425 CA LYS A 93 1.685 -3.734 -11.719 1.00 0.00 C ATOM 1426 C LYS A 93 0.535 -4.175 -12.618 1.00 0.00 C ATOM 1427 O LYS A 93 -0.168 -3.346 -13.197 1.00 0.00 O ATOM 1428 CB LYS A 93 3.016 -4.209 -12.307 1.00 0.00 C ATOM 1429 CG LYS A 93 4.189 -3.307 -11.965 1.00 0.00 C ATOM 1430 CD LYS A 93 5.508 -4.059 -12.024 1.00 0.00 C ATOM 1431 CE LYS A 93 5.997 -4.214 -13.455 1.00 0.00 C ATOM 1432 NZ LYS A 93 7.308 -4.919 -13.520 1.00 0.00 N ATOM 0 H LYS A 93 2.299 -4.810 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 93 1.686 -2.645 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.225 -5.216 -11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.922 -4.274 -13.391 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.217 -2.467 -12.659 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.051 -2.892 -10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.258 -3.528 -11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.388 -5.043 -11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.258 -4.768 -14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.090 -3.230 -13.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.382 -5.432 -14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.079 -4.225 -13.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.379 -5.593 -12.732 1.00 0.00 H new ATOM 1446 N LYS A 94 0.346 -5.485 -12.730 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.722 -6.037 -13.556 1.00 0.00 C ATOM 1448 C LYS A 94 -2.059 -5.379 -13.228 1.00 0.00 C ATOM 1449 O LYS A 94 -2.669 -4.732 -14.080 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.823 -7.551 -13.351 1.00 0.00 C ATOM 1451 CG LYS A 94 0.214 -8.340 -14.132 1.00 0.00 C ATOM 1452 CD LYS A 94 -0.294 -9.728 -14.487 1.00 0.00 C ATOM 1453 CE LYS A 94 -1.094 -9.715 -15.780 1.00 0.00 C ATOM 1454 NZ LYS A 94 -2.054 -10.852 -15.850 1.00 0.00 N ATOM 0 H LYS A 94 0.919 -6.185 -12.259 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.483 -5.833 -14.600 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.714 -7.774 -12.290 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.818 -7.884 -13.646 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.472 -7.801 -15.044 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.127 -8.425 -13.543 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.550 -10.411 -14.587 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.917 -10.107 -13.677 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.639 -8.774 -15.861 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.412 -9.762 -16.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.580 -10.808 -16.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.532 -11.750 -15.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.721 -10.793 -15.054 1.00 0.00 H new ATOM 1468 N THR A 95 -2.508 -5.547 -11.989 1.00 0.00 N ATOM 1469 CA THR A 95 -3.772 -4.970 -11.549 1.00 0.00 C ATOM 1470 C THR A 95 -3.834 -3.479 -11.863 1.00 0.00 C ATOM 1471 O THR A 95 -4.801 -3.000 -12.454 1.00 0.00 O ATOM 1472 CB THR A 95 -3.987 -5.174 -10.038 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.879 -6.564 -9.711 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.350 -4.652 -9.610 1.00 0.00 C ATOM 0 H THR A 95 -2.015 -6.078 -11.272 1.00 0.00 H new ATOM 0 HA THR A 95 -4.562 -5.487 -12.094 1.00 0.00 H new ATOM 0 HB THR A 95 -3.218 -4.615 -9.505 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.936 -6.799 -9.587 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.479 -4.807 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.418 -3.587 -9.833 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.131 -5.187 -10.151 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.796 -2.752 -11.464 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.731 -1.316 -11.706 1.00 0.00 C ATOM 1484 C ALA A 96 -3.188 -0.976 -13.121 1.00 0.00 C ATOM 1485 O ALA A 96 -4.102 -0.175 -13.312 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.319 -0.803 -11.468 1.00 0.00 C ATOM 0 H ALA A 96 -1.988 -3.134 -10.972 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.407 -0.824 -11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.286 0.271 -11.653 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.028 -1.003 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.629 -1.309 -12.144 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.544 -1.590 -14.109 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.884 -1.350 -15.506 1.00 0.00 C ATOM 1494 C GLU A 97 -4.372 -1.584 -15.752 1.00 0.00 C ATOM 1495 O GLU A 97 -5.037 -0.782 -16.407 1.00 0.00 O ATOM 1496 CB GLU A 97 -2.057 -2.258 -16.419 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.650 -1.745 -16.674 1.00 0.00 C ATOM 1498 CD GLU A 97 -0.590 -0.750 -17.817 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -1.378 0.218 -17.804 1.00 0.00 O ATOM 1500 OE2 GLU A 97 0.247 -0.941 -18.725 1.00 0.00 O ATOM 0 H GLU A 97 -1.785 -2.256 -13.968 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.654 -0.309 -15.735 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.997 -3.251 -15.973 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.573 -2.368 -17.373 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.269 -1.275 -15.768 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.005 -2.587 -16.896 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.887 -2.689 -15.222 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.295 -3.028 -15.382 1.00 0.00 C ATOM 1509 C ALA A 98 -7.192 -1.918 -14.844 1.00 0.00 C ATOM 1510 O ALA A 98 -8.178 -1.542 -15.476 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.604 -4.344 -14.683 1.00 0.00 C ATOM 0 H ALA A 98 -4.350 -3.364 -14.678 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.497 -3.139 -16.447 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.659 -4.585 -14.811 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.996 -5.138 -15.116 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.379 -4.253 -13.620 1.00 0.00 H new ATOM 1517 N GLY A 99 -6.843 -1.397 -13.672 1.00 0.00 N ATOM 1518 CA GLY A 99 -7.627 -0.336 -13.068 1.00 0.00 C ATOM 1519 C GLY A 99 -8.921 -0.843 -12.464 1.00 0.00 C ATOM 1520 O GLY A 99 -9.239 -0.539 -11.315 1.00 0.00 O ATOM 0 H GLY A 99 -6.031 -1.691 -13.130 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.036 0.153 -12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.853 0.419 -13.821 1.00 0.00 H new ATOM 1524 N GLY A 100 -9.671 -1.619 -13.241 1.00 0.00 N ATOM 1525 CA GLY A 100 -10.931 -2.155 -12.759 1.00 0.00 C ATOM 1526 C GLY A 100 -10.859 -3.644 -12.485 1.00 0.00 C ATOM 1527 O GLY A 100 -10.204 -4.386 -13.216 1.00 0.00 O ATOM 0 H GLY A 100 -9.429 -1.886 -14.195 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.219 -1.634 -11.846 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.711 -1.961 -13.496 1.00 0.00 H new ATOM 1531 N SER A 101 -11.535 -4.083 -11.427 1.00 0.00 N ATOM 1532 CA SER A 101 -11.541 -5.493 -11.055 1.00 0.00 C ATOM 1533 C SER A 101 -12.925 -6.102 -11.257 1.00 0.00 C ATOM 1534 O SER A 101 -13.829 -5.898 -10.449 1.00 0.00 O ATOM 1535 CB SER A 101 -11.106 -5.659 -9.598 1.00 0.00 C ATOM 1536 OG SER A 101 -12.029 -5.043 -8.716 1.00 0.00 O ATOM 0 H SER A 101 -12.085 -3.482 -10.813 1.00 0.00 H new ATOM 0 HA SER A 101 -10.835 -6.017 -11.700 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.022 -6.719 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.117 -5.221 -9.458 1.00 0.00 H new ATOM 0 HG SER A 101 -12.939 -5.158 -9.062 1.00 0.00 H new ATOM 1542 N GLY A 102 -13.082 -6.852 -12.344 1.00 0.00 N ATOM 1543 CA GLY A 102 -14.357 -7.480 -12.634 1.00 0.00 C ATOM 1544 C GLY A 102 -15.208 -6.655 -13.579 1.00 0.00 C ATOM 1545 O GLY A 102 -15.105 -5.429 -13.631 1.00 0.00 O ATOM 0 H GLY A 102 -12.348 -7.035 -13.029 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.183 -8.463 -13.071 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.901 -7.637 -11.703 1.00 0.00 H new ATOM 1549 N PRO A 103 -16.072 -7.333 -14.349 1.00 0.00 N ATOM 1550 CA PRO A 103 -16.960 -6.674 -15.311 1.00 0.00 C ATOM 1551 C PRO A 103 -18.055 -5.862 -14.628 1.00 0.00 C ATOM 1552 O PRO A 103 -19.159 -6.358 -14.402 1.00 0.00 O ATOM 1553 CB PRO A 103 -17.568 -7.843 -16.090 1.00 0.00 C ATOM 1554 CG PRO A 103 -17.494 -9.001 -15.155 1.00 0.00 C ATOM 1555 CD PRO A 103 -16.249 -8.795 -14.339 1.00 0.00 C ATOM 0 HA PRO A 103 -16.425 -5.959 -15.936 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -18.598 -7.633 -16.379 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -17.013 -8.039 -17.007 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.376 -9.044 -14.517 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -17.450 -9.943 -15.703 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.365 -9.179 -13.325 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -15.392 -9.306 -14.777 1.00 0.00 H new ATOM 1563 N SER A 104 -17.742 -4.612 -14.303 1.00 0.00 N ATOM 1564 CA SER A 104 -18.699 -3.732 -13.642 1.00 0.00 C ATOM 1565 C SER A 104 -18.338 -2.267 -13.870 1.00 0.00 C ATOM 1566 O SER A 104 -17.171 -1.928 -14.066 1.00 0.00 O ATOM 1567 CB SER A 104 -18.747 -4.030 -12.142 1.00 0.00 C ATOM 1568 OG SER A 104 -19.895 -3.453 -11.544 1.00 0.00 O ATOM 0 H SER A 104 -16.834 -4.186 -14.486 1.00 0.00 H new ATOM 0 HA SER A 104 -19.683 -3.917 -14.073 1.00 0.00 H new ATOM 0 HB2 SER A 104 -18.753 -5.108 -11.982 1.00 0.00 H new ATOM 0 HB3 SER A 104 -17.849 -3.642 -11.662 1.00 0.00 H new ATOM 0 HG SER A 104 -19.903 -3.659 -10.586 1.00 0.00 H new ATOM 1574 N SER A 105 -19.347 -1.404 -13.842 1.00 0.00 N ATOM 1575 CA SER A 105 -19.138 0.024 -14.049 1.00 0.00 C ATOM 1576 C SER A 105 -17.879 0.499 -13.329 1.00 0.00 C ATOM 1577 O SER A 105 -17.872 0.664 -12.110 1.00 0.00 O ATOM 1578 CB SER A 105 -20.350 0.816 -13.555 1.00 0.00 C ATOM 1579 OG SER A 105 -21.390 0.809 -14.518 1.00 0.00 O ATOM 0 H SER A 105 -20.318 -1.668 -13.678 1.00 0.00 H new ATOM 0 HA SER A 105 -19.012 0.196 -15.118 1.00 0.00 H new ATOM 0 HB2 SER A 105 -20.712 0.387 -12.621 1.00 0.00 H new ATOM 0 HB3 SER A 105 -20.055 1.843 -13.341 1.00 0.00 H new ATOM 0 HG SER A 105 -22.154 1.320 -14.178 1.00 0.00 H new ATOM 1585 N GLY A 106 -16.814 0.716 -14.094 1.00 0.00 N ATOM 1586 CA GLY A 106 -15.563 1.169 -13.513 1.00 0.00 C ATOM 1587 C GLY A 106 -14.613 1.734 -14.551 1.00 0.00 C ATOM 1588 O GLY A 106 -13.441 1.361 -14.596 1.00 0.00 O ATOM 0 H GLY A 106 -16.795 0.586 -15.106 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.770 1.931 -12.761 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.082 0.337 -12.999 1.00 0.00 H new TER 1592 GLY A 106 HETATM 1593 ZN ZN A 200 -12.532 -2.310 1.893 1.00 0.00 ZN