USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 MET CE :methyl -112:sc= -0.358 (180deg=0) USER MOD Set 1.2: A 39 HIS : no HD1:sc= -4.49! X(o=-4.9!,f=-4.5) USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 5 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00505 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -80:sc= 1.01 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.9!) USER MOD Single : A 28 THR OG1 : rot -23:sc= 0.264 USER MOD Single : A 29 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.607 K(o=-0.61,f=-2.7!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 45 ASN : amide:sc= -0.289 K(o=-0.29,f=-1) USER MOD Single : A 46 SER OG : rot 92:sc= 0.138 USER MOD Single : A 49 MET CE :methyl 139:sc= -0.362 (180deg=-1.03) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 59 ASN : amide:sc= -0.023 K(o=-0.023,f=-0.75) USER MOD Single : A 60 SER OG : rot 180:sc= -0.758 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.243 -8.243 -6.496 1.00 0.00 N ATOM 2 CA GLY A 1 -38.968 -7.476 -6.597 1.00 0.00 C ATOM 3 C GLY A 1 -38.721 -6.723 -5.294 1.00 0.00 C ATOM 4 O GLY A 1 -39.169 -5.586 -5.133 1.00 0.00 O ATOM 0 H1 GLY A 1 -40.411 -8.756 -7.385 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.178 -8.922 -5.711 1.00 0.00 H new ATOM 0 H3 GLY A 1 -41.030 -7.586 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.139 -8.154 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.018 -6.775 -7.430 1.00 0.00 H new ATOM 10 N SER A 2 -38.005 -7.365 -4.367 1.00 0.00 N ATOM 11 CA SER A 2 -37.699 -6.751 -3.072 1.00 0.00 C ATOM 12 C SER A 2 -36.199 -6.446 -2.952 1.00 0.00 C ATOM 13 O SER A 2 -35.632 -6.495 -1.855 1.00 0.00 O ATOM 14 CB SER A 2 -38.129 -7.694 -1.946 1.00 0.00 C ATOM 15 OG SER A 2 -39.516 -7.973 -2.073 1.00 0.00 O ATOM 0 H SER A 2 -37.628 -8.305 -4.488 1.00 0.00 H new ATOM 0 HA SER A 2 -38.246 -5.812 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 2 -37.554 -8.619 -1.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.925 -7.239 -0.977 1.00 0.00 H new ATOM 0 HG SER A 2 -39.795 -8.578 -1.354 1.00 0.00 H new ATOM 21 N MET A 3 -35.565 -6.126 -4.084 1.00 0.00 N ATOM 22 CA MET A 3 -34.137 -5.814 -4.094 1.00 0.00 C ATOM 23 C MET A 3 -33.867 -4.488 -3.387 1.00 0.00 C ATOM 24 O MET A 3 -33.064 -4.427 -2.455 1.00 0.00 O ATOM 25 CB MET A 3 -33.624 -5.735 -5.534 1.00 0.00 C ATOM 26 CG MET A 3 -33.522 -7.143 -6.124 1.00 0.00 C ATOM 27 SD MET A 3 -33.100 -7.034 -7.882 1.00 0.00 S ATOM 28 CE MET A 3 -33.144 -8.808 -8.239 1.00 0.00 C ATOM 0 H MET A 3 -36.016 -6.077 -4.998 1.00 0.00 H new ATOM 0 HA MET A 3 -33.614 -6.610 -3.564 1.00 0.00 H new ATOM 0 HB2 MET A 3 -34.297 -5.126 -6.137 1.00 0.00 H new ATOM 0 HB3 MET A 3 -32.648 -5.249 -5.556 1.00 0.00 H new ATOM 0 HG2 MET A 3 -32.763 -7.717 -5.592 1.00 0.00 H new ATOM 0 HG3 MET A 3 -34.467 -7.671 -5.998 1.00 0.00 H new ATOM 0 HE1 MET A 3 -32.908 -8.974 -9.290 1.00 0.00 H new ATOM 0 HE2 MET A 3 -32.411 -9.323 -7.617 1.00 0.00 H new ATOM 0 HE3 MET A 3 -34.139 -9.198 -8.025 1.00 0.00 H new ATOM 38 N ALA A 4 -34.545 -3.429 -3.841 1.00 0.00 N ATOM 39 CA ALA A 4 -34.374 -2.100 -3.250 1.00 0.00 C ATOM 40 C ALA A 4 -35.552 -1.756 -2.329 1.00 0.00 C ATOM 41 O ALA A 4 -35.939 -0.590 -2.205 1.00 0.00 O ATOM 42 CB ALA A 4 -34.258 -1.054 -4.364 1.00 0.00 C ATOM 0 H ALA A 4 -35.213 -3.466 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 4 -33.462 -2.099 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -34.131 -0.065 -3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -33.397 -1.285 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -35.163 -1.067 -4.971 1.00 0.00 H new ATOM 48 N GLN A 5 -36.114 -2.781 -1.678 1.00 0.00 N ATOM 49 CA GLN A 5 -37.242 -2.586 -0.765 1.00 0.00 C ATOM 50 C GLN A 5 -36.852 -2.979 0.666 1.00 0.00 C ATOM 51 O GLN A 5 -37.684 -3.471 1.433 1.00 0.00 O ATOM 52 CB GLN A 5 -38.431 -3.439 -1.231 1.00 0.00 C ATOM 53 CG GLN A 5 -39.084 -2.797 -2.457 1.00 0.00 C ATOM 54 CD GLN A 5 -40.422 -3.473 -2.748 1.00 0.00 C ATOM 55 OE1 GLN A 5 -40.529 -4.697 -2.674 1.00 0.00 O ATOM 56 NE2 GLN A 5 -41.453 -2.744 -3.078 1.00 0.00 N ATOM 0 H GLN A 5 -35.806 -3.749 -1.767 1.00 0.00 H new ATOM 0 HA GLN A 5 -37.521 -1.532 -0.771 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -38.094 -4.447 -1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -39.160 -3.532 -0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -39.235 -1.732 -2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -38.425 -2.889 -3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -41.362 -1.730 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -42.350 -3.188 -3.275 1.00 0.00 H new ATOM 65 N GLU A 6 -35.579 -2.760 1.021 1.00 0.00 N ATOM 66 CA GLU A 6 -35.091 -3.102 2.361 1.00 0.00 C ATOM 67 C GLU A 6 -34.801 -1.844 3.183 1.00 0.00 C ATOM 68 O GLU A 6 -35.007 -0.722 2.713 1.00 0.00 O ATOM 69 CB GLU A 6 -33.821 -3.963 2.254 1.00 0.00 C ATOM 70 CG GLU A 6 -32.749 -3.234 1.434 1.00 0.00 C ATOM 71 CD GLU A 6 -31.404 -3.933 1.593 1.00 0.00 C ATOM 72 OE1 GLU A 6 -31.268 -5.037 1.093 1.00 0.00 O ATOM 73 OE2 GLU A 6 -30.529 -3.352 2.213 1.00 0.00 O ATOM 0 H GLU A 6 -34.876 -2.352 0.405 1.00 0.00 H new ATOM 0 HA GLU A 6 -35.871 -3.668 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -33.438 -4.184 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -34.060 -4.918 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -33.035 -3.214 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -32.670 -2.198 1.763 1.00 0.00 H new ATOM 80 N THR A 7 -34.321 -2.047 4.413 1.00 0.00 N ATOM 81 CA THR A 7 -34.001 -0.932 5.303 1.00 0.00 C ATOM 82 C THR A 7 -32.717 -0.244 4.853 1.00 0.00 C ATOM 83 O THR A 7 -31.974 -0.782 4.028 1.00 0.00 O ATOM 84 CB THR A 7 -33.830 -1.442 6.736 1.00 0.00 C ATOM 85 OG1 THR A 7 -32.905 -2.521 6.744 1.00 0.00 O ATOM 86 CG2 THR A 7 -35.179 -1.923 7.275 1.00 0.00 C ATOM 0 H THR A 7 -34.147 -2.969 4.812 1.00 0.00 H new ATOM 0 HA THR A 7 -34.820 -0.214 5.267 1.00 0.00 H new ATOM 0 HB THR A 7 -33.457 -0.635 7.366 1.00 0.00 H new ATOM 0 HG1 THR A 7 -32.792 -2.848 7.661 1.00 0.00 H new ATOM 0 HG21 THR A 7 -35.055 -2.286 8.295 1.00 0.00 H new ATOM 0 HG22 THR A 7 -35.889 -1.096 7.268 1.00 0.00 H new ATOM 0 HG23 THR A 7 -35.555 -2.730 6.646 1.00 0.00 H new ATOM 94 N ASN A 8 -32.460 0.948 5.401 1.00 0.00 N ATOM 95 CA ASN A 8 -31.255 1.707 5.050 1.00 0.00 C ATOM 96 C ASN A 8 -30.229 1.681 6.192 1.00 0.00 C ATOM 97 O ASN A 8 -29.430 2.611 6.341 1.00 0.00 O ATOM 98 CB ASN A 8 -31.638 3.156 4.729 1.00 0.00 C ATOM 99 CG ASN A 8 -32.047 3.283 3.265 1.00 0.00 C ATOM 100 OD1 ASN A 8 -32.846 2.486 2.772 1.00 0.00 O ATOM 101 ND2 ASN A 8 -31.543 4.241 2.540 1.00 0.00 N ATOM 0 H ASN A 8 -33.064 1.405 6.084 1.00 0.00 H new ATOM 0 HA ASN A 8 -30.799 1.243 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -32.459 3.473 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -30.796 3.817 4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -31.810 4.333 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -30.882 4.899 2.953 1.00 0.00 H new ATOM 108 N GLN A 9 -30.246 0.605 6.986 1.00 0.00 N ATOM 109 CA GLN A 9 -29.312 0.454 8.101 1.00 0.00 C ATOM 110 C GLN A 9 -28.780 -0.982 8.150 1.00 0.00 C ATOM 111 O GLN A 9 -29.204 -1.794 8.979 1.00 0.00 O ATOM 112 CB GLN A 9 -29.994 0.813 9.435 1.00 0.00 C ATOM 113 CG GLN A 9 -31.345 0.084 9.561 1.00 0.00 C ATOM 114 CD GLN A 9 -31.628 -0.262 11.021 1.00 0.00 C ATOM 115 OE1 GLN A 9 -32.014 0.606 11.804 1.00 0.00 O ATOM 116 NE2 GLN A 9 -31.460 -1.488 11.433 1.00 0.00 N ATOM 0 H GLN A 9 -30.897 -0.172 6.875 1.00 0.00 H new ATOM 0 HA GLN A 9 -28.477 1.137 7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -29.346 0.538 10.267 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -30.148 1.890 9.493 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -32.143 0.714 9.168 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -31.332 -0.826 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -31.140 -2.205 10.782 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -31.649 -1.729 12.406 1.00 0.00 H new ATOM 125 N THR A 10 -27.842 -1.281 7.249 1.00 0.00 N ATOM 126 CA THR A 10 -27.238 -2.608 7.177 1.00 0.00 C ATOM 127 C THR A 10 -25.839 -2.505 6.563 1.00 0.00 C ATOM 128 O THR A 10 -25.586 -1.595 5.769 1.00 0.00 O ATOM 129 CB THR A 10 -28.103 -3.546 6.327 1.00 0.00 C ATOM 130 OG1 THR A 10 -28.596 -2.841 5.196 1.00 0.00 O ATOM 131 CG2 THR A 10 -29.277 -4.062 7.164 1.00 0.00 C ATOM 0 H THR A 10 -27.486 -0.619 6.559 1.00 0.00 H new ATOM 0 HA THR A 10 -27.166 -3.014 8.186 1.00 0.00 H new ATOM 0 HB THR A 10 -27.501 -4.391 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 10 -29.148 -3.441 4.652 1.00 0.00 H new ATOM 0 HG21 THR A 10 -29.891 -4.729 6.558 1.00 0.00 H new ATOM 0 HG22 THR A 10 -28.896 -4.605 8.029 1.00 0.00 H new ATOM 0 HG23 THR A 10 -29.881 -3.220 7.502 1.00 0.00 H new ATOM 139 N PRO A 11 -24.924 -3.396 6.907 1.00 0.00 N ATOM 140 CA PRO A 11 -23.534 -3.360 6.362 1.00 0.00 C ATOM 141 C PRO A 11 -23.477 -3.815 4.904 1.00 0.00 C ATOM 142 O PRO A 11 -24.455 -4.353 4.380 1.00 0.00 O ATOM 143 CB PRO A 11 -22.767 -4.322 7.270 1.00 0.00 C ATOM 144 CG PRO A 11 -23.785 -5.304 7.735 1.00 0.00 C ATOM 145 CD PRO A 11 -25.101 -4.535 7.838 1.00 0.00 C ATOM 0 HA PRO A 11 -23.119 -2.352 6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -21.959 -4.816 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -22.313 -3.796 8.110 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -23.873 -6.135 7.035 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -23.505 -5.728 8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -25.950 -5.156 7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.285 -4.193 8.857 1.00 0.00 H new ATOM 153 N GLY A 12 -22.330 -3.595 4.259 1.00 0.00 N ATOM 154 CA GLY A 12 -22.156 -3.986 2.862 1.00 0.00 C ATOM 155 C GLY A 12 -21.306 -2.964 2.095 1.00 0.00 C ATOM 156 O GLY A 12 -20.315 -3.345 1.464 1.00 0.00 O ATOM 0 H GLY A 12 -21.514 -3.151 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -21.681 -4.966 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -23.132 -4.081 2.385 1.00 0.00 H new ATOM 160 N PRO A 13 -21.669 -1.686 2.112 1.00 0.00 N ATOM 161 CA PRO A 13 -20.909 -0.631 1.378 1.00 0.00 C ATOM 162 C PRO A 13 -19.655 -0.177 2.125 1.00 0.00 C ATOM 163 O PRO A 13 -19.723 0.703 2.988 1.00 0.00 O ATOM 164 CB PRO A 13 -21.916 0.508 1.251 1.00 0.00 C ATOM 165 CG PRO A 13 -22.817 0.377 2.433 1.00 0.00 C ATOM 166 CD PRO A 13 -22.830 -1.103 2.826 1.00 0.00 C ATOM 0 HA PRO A 13 -20.536 -0.991 0.419 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -21.415 1.476 1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.477 0.434 0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -22.461 0.992 3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.823 0.720 2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -22.736 -1.228 3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -23.762 -1.585 2.529 1.00 0.00 H new ATOM 174 N MET A 14 -18.513 -0.774 1.782 1.00 0.00 N ATOM 175 CA MET A 14 -17.249 -0.420 2.417 1.00 0.00 C ATOM 176 C MET A 14 -16.770 0.954 1.943 1.00 0.00 C ATOM 177 O MET A 14 -16.128 1.067 0.896 1.00 0.00 O ATOM 178 CB MET A 14 -16.184 -1.483 2.108 1.00 0.00 C ATOM 179 CG MET A 14 -16.266 -2.622 3.140 1.00 0.00 C ATOM 180 SD MET A 14 -17.422 -3.902 2.579 1.00 0.00 S ATOM 181 CE MET A 14 -17.023 -5.142 3.839 1.00 0.00 C ATOM 0 H MET A 14 -18.440 -1.502 1.071 1.00 0.00 H new ATOM 0 HA MET A 14 -17.408 -0.378 3.495 1.00 0.00 H new ATOM 0 HB2 MET A 14 -16.334 -1.879 1.104 1.00 0.00 H new ATOM 0 HB3 MET A 14 -15.192 -1.033 2.128 1.00 0.00 H new ATOM 0 HG2 MET A 14 -15.278 -3.056 3.291 1.00 0.00 H new ATOM 0 HG3 MET A 14 -16.591 -2.227 4.102 1.00 0.00 H new ATOM 0 HE1 MET A 14 -17.632 -6.032 3.680 1.00 0.00 H new ATOM 0 HE2 MET A 14 -15.968 -5.407 3.767 1.00 0.00 H new ATOM 0 HE3 MET A 14 -17.228 -4.734 4.829 1.00 0.00 H new ATOM 191 N LEU A 15 -17.083 1.989 2.724 1.00 0.00 N ATOM 192 CA LEU A 15 -16.678 3.355 2.385 1.00 0.00 C ATOM 193 C LEU A 15 -15.203 3.562 2.738 1.00 0.00 C ATOM 194 O LEU A 15 -14.720 3.036 3.744 1.00 0.00 O ATOM 195 CB LEU A 15 -17.567 4.358 3.160 1.00 0.00 C ATOM 196 CG LEU A 15 -18.653 4.982 2.253 1.00 0.00 C ATOM 197 CD1 LEU A 15 -18.006 5.806 1.140 1.00 0.00 C ATOM 198 CD2 LEU A 15 -19.543 3.899 1.634 1.00 0.00 C ATOM 0 H LEU A 15 -17.613 1.909 3.592 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.803 3.521 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.042 3.850 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.944 5.149 3.578 1.00 0.00 H new ATOM 0 HG LEU A 15 -19.272 5.631 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.783 6.239 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.408 6.604 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.365 5.163 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -20.298 4.366 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.932 3.225 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -20.033 3.334 2.427 1.00 0.00 H new ATOM 210 N CYS A 16 -14.486 4.323 1.899 1.00 0.00 N ATOM 211 CA CYS A 16 -13.055 4.588 2.118 1.00 0.00 C ATOM 212 C CYS A 16 -12.766 5.093 3.539 1.00 0.00 C ATOM 213 O CYS A 16 -13.301 6.117 3.969 1.00 0.00 O ATOM 214 CB CYS A 16 -12.554 5.620 1.106 1.00 0.00 C ATOM 215 SG CYS A 16 -10.752 5.518 1.003 1.00 0.00 S ATOM 0 H CYS A 16 -14.871 4.765 1.064 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.530 3.642 1.986 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.998 5.434 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.858 6.622 1.409 1.00 0.00 H new ATOM 220 N SER A 17 -11.923 4.347 4.257 1.00 0.00 N ATOM 221 CA SER A 17 -11.561 4.691 5.638 1.00 0.00 C ATOM 222 C SER A 17 -10.900 6.069 5.743 1.00 0.00 C ATOM 223 O SER A 17 -10.959 6.699 6.802 1.00 0.00 O ATOM 224 CB SER A 17 -10.613 3.633 6.207 1.00 0.00 C ATOM 225 OG SER A 17 -11.342 2.434 6.440 1.00 0.00 O ATOM 0 H SER A 17 -11.477 3.500 3.906 1.00 0.00 H new ATOM 0 HA SER A 17 -12.486 4.721 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.795 3.447 5.511 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.166 3.988 7.136 1.00 0.00 H new ATOM 0 HG SER A 17 -10.741 1.751 6.803 1.00 0.00 H new ATOM 231 N THR A 18 -10.272 6.535 4.655 1.00 0.00 N ATOM 232 CA THR A 18 -9.609 7.844 4.670 1.00 0.00 C ATOM 233 C THR A 18 -10.625 9.001 4.682 1.00 0.00 C ATOM 234 O THR A 18 -10.274 10.120 5.062 1.00 0.00 O ATOM 235 CB THR A 18 -8.656 7.988 3.471 1.00 0.00 C ATOM 236 OG1 THR A 18 -9.375 7.800 2.265 1.00 0.00 O ATOM 237 CG2 THR A 18 -7.535 6.943 3.570 1.00 0.00 C ATOM 0 H THR A 18 -10.210 6.035 3.768 1.00 0.00 H new ATOM 0 HA THR A 18 -9.029 7.899 5.591 1.00 0.00 H new ATOM 0 HB THR A 18 -8.219 8.986 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.503 6.841 2.106 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.863 7.049 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.977 7.094 4.494 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.969 5.943 3.568 1.00 0.00 H new ATOM 245 N GLY A 19 -11.881 8.732 4.292 1.00 0.00 N ATOM 246 CA GLY A 19 -12.915 9.768 4.298 1.00 0.00 C ATOM 247 C GLY A 19 -12.909 10.589 3.011 1.00 0.00 C ATOM 248 O GLY A 19 -13.121 11.802 3.049 1.00 0.00 O ATOM 0 H GLY A 19 -12.198 7.817 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.893 9.304 4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.761 10.429 5.151 1.00 0.00 H new ATOM 252 N CYS A 20 -12.698 9.918 1.875 1.00 0.00 N ATOM 253 CA CYS A 20 -12.707 10.606 0.580 1.00 0.00 C ATOM 254 C CYS A 20 -14.130 10.643 -0.029 1.00 0.00 C ATOM 255 O CYS A 20 -14.415 11.483 -0.886 1.00 0.00 O ATOM 256 CB CYS A 20 -11.691 9.967 -0.391 1.00 0.00 C ATOM 257 SG CYS A 20 -12.139 8.253 -0.763 1.00 0.00 S ATOM 0 H CYS A 20 -12.521 8.915 1.824 1.00 0.00 H new ATOM 0 HA CYS A 20 -12.401 11.639 0.747 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -11.652 10.545 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.694 9.999 0.048 1.00 0.00 H new ATOM 262 N GLY A 21 -15.021 9.740 0.427 1.00 0.00 N ATOM 263 CA GLY A 21 -16.405 9.697 -0.072 1.00 0.00 C ATOM 264 C GLY A 21 -16.602 8.705 -1.231 1.00 0.00 C ATOM 265 O GLY A 21 -17.685 8.652 -1.821 1.00 0.00 O ATOM 0 H GLY A 21 -14.807 9.037 1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.071 9.426 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.696 10.694 -0.403 1.00 0.00 H new ATOM 269 N PHE A 22 -15.562 7.936 -1.567 1.00 0.00 N ATOM 270 CA PHE A 22 -15.632 6.974 -2.663 1.00 0.00 C ATOM 271 C PHE A 22 -15.787 5.551 -2.131 1.00 0.00 C ATOM 272 O PHE A 22 -15.870 5.342 -0.921 1.00 0.00 O ATOM 273 CB PHE A 22 -14.363 7.073 -3.512 1.00 0.00 C ATOM 274 CG PHE A 22 -14.453 8.297 -4.386 1.00 0.00 C ATOM 275 CD1 PHE A 22 -14.446 9.571 -3.806 1.00 0.00 C ATOM 276 CD2 PHE A 22 -14.561 8.159 -5.776 1.00 0.00 C ATOM 277 CE1 PHE A 22 -14.543 10.709 -4.615 1.00 0.00 C ATOM 278 CE2 PHE A 22 -14.660 9.296 -6.585 1.00 0.00 C ATOM 279 CZ PHE A 22 -14.651 10.570 -6.005 1.00 0.00 C ATOM 0 H PHE A 22 -14.660 7.964 -1.092 1.00 0.00 H new ATOM 0 HA PHE A 22 -16.504 7.208 -3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -13.484 7.132 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -14.250 6.179 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -14.366 9.676 -2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -14.568 7.176 -6.223 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.535 11.692 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.743 9.191 -7.657 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.727 11.447 -6.630 1.00 0.00 H new ATOM 289 N TYR A 23 -15.811 4.581 -3.047 1.00 0.00 N ATOM 290 CA TYR A 23 -15.954 3.178 -2.673 1.00 0.00 C ATOM 291 C TYR A 23 -14.595 2.531 -2.417 1.00 0.00 C ATOM 292 O TYR A 23 -13.659 2.711 -3.199 1.00 0.00 O ATOM 293 CB TYR A 23 -16.698 2.418 -3.777 1.00 0.00 C ATOM 294 CG TYR A 23 -17.273 1.138 -3.212 1.00 0.00 C ATOM 295 CD1 TYR A 23 -18.161 1.185 -2.131 1.00 0.00 C ATOM 296 CD2 TYR A 23 -16.912 -0.096 -3.768 1.00 0.00 C ATOM 297 CE1 TYR A 23 -18.687 0.006 -1.604 1.00 0.00 C ATOM 298 CE2 TYR A 23 -17.443 -1.279 -3.241 1.00 0.00 C ATOM 299 CZ TYR A 23 -18.331 -1.229 -2.158 1.00 0.00 C ATOM 300 OH TYR A 23 -18.851 -2.396 -1.637 1.00 0.00 O ATOM 0 H TYR A 23 -15.733 4.744 -4.051 1.00 0.00 H new ATOM 0 HA TYR A 23 -16.529 3.130 -1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -17.496 3.038 -4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -16.018 2.192 -4.599 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -18.440 2.137 -1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -16.226 -0.135 -4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -19.369 0.046 -0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -17.168 -2.231 -3.670 1.00 0.00 H new ATOM 0 HH TYR A 23 -18.502 -3.162 -2.139 1.00 0.00 H new ATOM 310 N GLY A 24 -14.497 1.783 -1.309 1.00 0.00 N ATOM 311 CA GLY A 24 -13.240 1.114 -0.943 1.00 0.00 C ATOM 312 C GLY A 24 -13.320 -0.403 -1.147 1.00 0.00 C ATOM 313 O GLY A 24 -14.406 -0.959 -1.314 1.00 0.00 O ATOM 0 H GLY A 24 -15.265 1.627 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.425 1.519 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.005 1.328 0.100 1.00 0.00 H new ATOM 317 N ASN A 25 -12.151 -1.066 -1.136 1.00 0.00 N ATOM 318 CA ASN A 25 -12.085 -2.521 -1.328 1.00 0.00 C ATOM 319 C ASN A 25 -11.569 -3.233 -0.062 1.00 0.00 C ATOM 320 O ASN A 25 -10.578 -2.791 0.522 1.00 0.00 O ATOM 321 CB ASN A 25 -11.141 -2.845 -2.494 1.00 0.00 C ATOM 322 CG ASN A 25 -11.561 -4.148 -3.161 1.00 0.00 C ATOM 323 OD1 ASN A 25 -11.109 -5.219 -2.766 1.00 0.00 O ATOM 324 ND2 ASN A 25 -12.411 -4.124 -4.149 1.00 0.00 N ATOM 0 H ASN A 25 -11.245 -0.619 -0.997 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.093 -2.875 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.157 -2.033 -3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.117 -2.927 -2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.701 -4.995 -4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.787 -3.234 -4.477 1.00 0.00 H new ATOM 331 N PRO A 26 -12.196 -4.330 0.365 1.00 0.00 N ATOM 332 CA PRO A 26 -11.749 -5.089 1.574 1.00 0.00 C ATOM 333 C PRO A 26 -10.512 -5.943 1.296 1.00 0.00 C ATOM 334 O PRO A 26 -9.726 -6.205 2.208 1.00 0.00 O ATOM 335 CB PRO A 26 -12.953 -5.956 1.918 1.00 0.00 C ATOM 336 CG PRO A 26 -13.613 -6.222 0.612 1.00 0.00 C ATOM 337 CD PRO A 26 -13.391 -4.968 -0.239 1.00 0.00 C ATOM 0 HA PRO A 26 -11.451 -4.428 2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.648 -6.883 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.627 -5.444 2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.184 -7.101 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.677 -6.419 0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -13.222 -5.221 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.256 -4.306 -0.207 1.00 0.00 H new ATOM 345 N ARG A 27 -10.325 -6.346 0.031 1.00 0.00 N ATOM 346 CA ARG A 27 -9.147 -7.135 -0.344 1.00 0.00 C ATOM 347 C ARG A 27 -7.903 -6.240 -0.296 1.00 0.00 C ATOM 348 O ARG A 27 -6.818 -6.693 0.073 1.00 0.00 O ATOM 349 CB ARG A 27 -9.307 -7.718 -1.753 1.00 0.00 C ATOM 350 CG ARG A 27 -10.145 -9.003 -1.695 1.00 0.00 C ATOM 351 CD ARG A 27 -10.841 -9.228 -3.041 1.00 0.00 C ATOM 352 NE ARG A 27 -11.810 -10.324 -2.938 1.00 0.00 N ATOM 353 CZ ARG A 27 -11.449 -11.620 -2.918 1.00 0.00 C ATOM 354 NH1 ARG A 27 -10.187 -11.991 -2.993 1.00 0.00 N ATOM 355 NH2 ARG A 27 -12.377 -12.534 -2.824 1.00 0.00 N ATOM 0 H ARG A 27 -10.964 -6.142 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.040 -7.961 0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.788 -6.989 -2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.328 -7.931 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.507 -9.854 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.886 -8.929 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.347 -8.315 -3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.100 -9.459 -3.807 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.802 -10.094 -2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.452 -11.288 -3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.945 -12.982 -2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.358 -12.261 -2.767 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.121 -13.521 -2.808 1.00 0.00 H new ATOM 369 N THR A 28 -8.090 -4.954 -0.629 1.00 0.00 N ATOM 370 CA THR A 28 -6.998 -3.989 -0.578 1.00 0.00 C ATOM 371 C THR A 28 -6.779 -3.600 0.898 1.00 0.00 C ATOM 372 O THR A 28 -7.111 -4.390 1.786 1.00 0.00 O ATOM 373 CB THR A 28 -7.340 -2.756 -1.443 1.00 0.00 C ATOM 374 OG1 THR A 28 -8.436 -2.063 -0.865 1.00 0.00 O ATOM 375 CG2 THR A 28 -7.698 -3.193 -2.868 1.00 0.00 C ATOM 0 H THR A 28 -8.983 -4.567 -0.934 1.00 0.00 H new ATOM 0 HA THR A 28 -6.081 -4.420 -0.979 1.00 0.00 H new ATOM 0 HB THR A 28 -6.472 -2.097 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.955 -2.679 -0.306 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.937 -2.315 -3.468 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.851 -3.716 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.561 -3.859 -2.839 1.00 0.00 H new ATOM 383 N ASN A 29 -6.242 -2.401 1.167 1.00 0.00 N ATOM 384 CA ASN A 29 -6.019 -1.956 2.541 1.00 0.00 C ATOM 385 C ASN A 29 -7.228 -1.169 3.082 1.00 0.00 C ATOM 386 O ASN A 29 -7.069 -0.318 3.958 1.00 0.00 O ATOM 387 CB ASN A 29 -4.746 -1.097 2.601 1.00 0.00 C ATOM 388 CG ASN A 29 -3.520 -1.993 2.779 1.00 0.00 C ATOM 389 OD1 ASN A 29 -2.739 -1.805 3.713 1.00 0.00 O ATOM 390 ND2 ASN A 29 -3.306 -2.966 1.934 1.00 0.00 N ATOM 0 H ASN A 29 -5.957 -1.730 0.454 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.894 -2.835 3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.649 -0.511 1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.813 -0.390 3.428 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.492 -3.570 2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.953 -3.121 1.161 1.00 0.00 H new ATOM 397 N GLY A 30 -8.437 -1.457 2.566 1.00 0.00 N ATOM 398 CA GLY A 30 -9.654 -0.770 3.014 1.00 0.00 C ATOM 399 C GLY A 30 -9.814 0.612 2.368 1.00 0.00 C ATOM 400 O GLY A 30 -10.605 1.430 2.846 1.00 0.00 O ATOM 0 H GLY A 30 -8.593 -2.158 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.523 -1.383 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.629 -0.661 4.098 1.00 0.00 H new ATOM 404 N MET A 31 -9.056 0.878 1.293 1.00 0.00 N ATOM 405 CA MET A 31 -9.118 2.173 0.613 1.00 0.00 C ATOM 406 C MET A 31 -9.571 2.001 -0.837 1.00 0.00 C ATOM 407 O MET A 31 -9.551 0.894 -1.378 1.00 0.00 O ATOM 408 CB MET A 31 -7.730 2.830 0.637 1.00 0.00 C ATOM 409 CG MET A 31 -7.543 3.656 1.919 1.00 0.00 C ATOM 410 SD MET A 31 -7.465 2.574 3.371 1.00 0.00 S ATOM 411 CE MET A 31 -6.017 3.319 4.158 1.00 0.00 C ATOM 0 H MET A 31 -8.398 0.216 0.881 1.00 0.00 H new ATOM 0 HA MET A 31 -9.839 2.804 1.132 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.958 2.063 0.577 1.00 0.00 H new ATOM 0 HB3 MET A 31 -7.611 3.472 -0.236 1.00 0.00 H new ATOM 0 HG2 MET A 31 -6.628 4.245 1.848 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.368 4.360 2.028 1.00 0.00 H new ATOM 0 HE1 MET A 31 -5.184 2.616 4.128 1.00 0.00 H new ATOM 0 HE2 MET A 31 -5.742 4.230 3.626 1.00 0.00 H new ATOM 0 HE3 MET A 31 -6.250 3.560 5.195 1.00 0.00 H new ATOM 421 N CYS A 32 -9.977 3.114 -1.450 1.00 0.00 N ATOM 422 CA CYS A 32 -10.436 3.111 -2.829 1.00 0.00 C ATOM 423 C CYS A 32 -9.225 3.009 -3.775 1.00 0.00 C ATOM 424 O CYS A 32 -8.171 2.523 -3.367 1.00 0.00 O ATOM 425 CB CYS A 32 -11.294 4.376 -3.080 1.00 0.00 C ATOM 426 SG CYS A 32 -10.293 5.887 -2.937 1.00 0.00 S ATOM 0 H CYS A 32 -9.995 4.032 -1.005 1.00 0.00 H new ATOM 0 HA CYS A 32 -11.067 2.245 -3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.740 4.325 -4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.114 4.411 -2.363 1.00 0.00 H new ATOM 431 N SER A 33 -9.378 3.441 -5.029 1.00 0.00 N ATOM 432 CA SER A 33 -8.282 3.361 -5.995 1.00 0.00 C ATOM 433 C SER A 33 -7.192 4.407 -5.726 1.00 0.00 C ATOM 434 O SER A 33 -6.005 4.081 -5.702 1.00 0.00 O ATOM 435 CB SER A 33 -8.823 3.537 -7.418 1.00 0.00 C ATOM 436 OG SER A 33 -8.124 2.659 -8.288 1.00 0.00 O ATOM 0 H SER A 33 -10.240 3.845 -5.395 1.00 0.00 H new ATOM 0 HA SER A 33 -7.829 2.376 -5.887 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.891 3.322 -7.444 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.697 4.570 -7.744 1.00 0.00 H new ATOM 0 HG SER A 33 -8.465 2.763 -9.201 1.00 0.00 H new ATOM 442 N VAL A 34 -7.604 5.664 -5.571 1.00 0.00 N ATOM 443 CA VAL A 34 -6.655 6.767 -5.356 1.00 0.00 C ATOM 444 C VAL A 34 -5.944 6.664 -4.005 1.00 0.00 C ATOM 445 O VAL A 34 -4.711 6.670 -3.946 1.00 0.00 O ATOM 446 CB VAL A 34 -7.387 8.124 -5.438 1.00 0.00 C ATOM 447 CG1 VAL A 34 -6.375 9.278 -5.423 1.00 0.00 C ATOM 448 CG2 VAL A 34 -8.195 8.205 -6.734 1.00 0.00 C ATOM 0 H VAL A 34 -8.583 5.948 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.903 6.696 -6.142 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.051 8.205 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.906 10.228 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.796 9.242 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.704 9.184 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.708 9.165 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.524 8.107 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.929 7.400 -6.756 1.00 0.00 H new ATOM 458 N CYS A 35 -6.723 6.597 -2.925 1.00 0.00 N ATOM 459 CA CYS A 35 -6.165 6.528 -1.568 1.00 0.00 C ATOM 460 C CYS A 35 -5.197 5.355 -1.405 1.00 0.00 C ATOM 461 O CYS A 35 -4.201 5.466 -0.686 1.00 0.00 O ATOM 462 CB CYS A 35 -7.295 6.396 -0.544 1.00 0.00 C ATOM 463 SG CYS A 35 -8.314 7.894 -0.558 1.00 0.00 S ATOM 0 H CYS A 35 -7.742 6.589 -2.960 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.610 7.450 -1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.909 5.526 -0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.880 6.237 0.451 1.00 0.00 H new ATOM 468 N TYR A 36 -5.506 4.229 -2.054 1.00 0.00 N ATOM 469 CA TYR A 36 -4.665 3.031 -1.954 1.00 0.00 C ATOM 470 C TYR A 36 -3.235 3.285 -2.440 1.00 0.00 C ATOM 471 O TYR A 36 -2.280 2.831 -1.808 1.00 0.00 O ATOM 472 CB TYR A 36 -5.295 1.866 -2.740 1.00 0.00 C ATOM 473 CG TYR A 36 -4.506 0.589 -2.512 1.00 0.00 C ATOM 474 CD1 TYR A 36 -4.319 0.102 -1.209 1.00 0.00 C ATOM 475 CD2 TYR A 36 -3.954 -0.098 -3.602 1.00 0.00 C ATOM 476 CE1 TYR A 36 -3.582 -1.068 -1.000 1.00 0.00 C ATOM 477 CE2 TYR A 36 -3.220 -1.269 -3.390 1.00 0.00 C ATOM 478 CZ TYR A 36 -3.031 -1.753 -2.090 1.00 0.00 C ATOM 479 OH TYR A 36 -2.298 -2.905 -1.882 1.00 0.00 O ATOM 0 H TYR A 36 -6.326 4.121 -2.651 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.608 2.765 -0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.329 1.724 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.315 2.104 -3.803 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.744 0.630 -0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.096 0.277 -4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.438 -1.443 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.798 -1.801 -4.230 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.988 -3.256 -2.743 1.00 0.00 H new ATOM 489 N LYS A 37 -3.091 3.991 -3.559 1.00 0.00 N ATOM 490 CA LYS A 37 -1.767 4.274 -4.113 1.00 0.00 C ATOM 491 C LYS A 37 -1.052 5.323 -3.270 1.00 0.00 C ATOM 492 O LYS A 37 0.128 5.175 -2.949 1.00 0.00 O ATOM 493 CB LYS A 37 -1.904 4.774 -5.554 1.00 0.00 C ATOM 494 CG LYS A 37 -0.545 4.704 -6.255 1.00 0.00 C ATOM 495 CD LYS A 37 -0.668 5.271 -7.675 1.00 0.00 C ATOM 496 CE LYS A 37 -0.466 6.787 -7.645 1.00 0.00 C ATOM 497 NZ LYS A 37 -0.237 7.286 -9.030 1.00 0.00 N ATOM 0 H LYS A 37 -3.867 4.376 -4.097 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.180 3.356 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.633 4.168 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.275 5.799 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.196 5.269 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.197 3.672 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.073 4.809 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.648 5.033 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.341 7.272 -7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.384 7.039 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.100 8.317 -9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.610 6.832 -9.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.061 7.058 -9.622 1.00 0.00 H new ATOM 511 N GLU A 38 -1.775 6.396 -2.935 1.00 0.00 N ATOM 512 CA GLU A 38 -1.212 7.498 -2.146 1.00 0.00 C ATOM 513 C GLU A 38 -0.605 7.018 -0.824 1.00 0.00 C ATOM 514 O GLU A 38 0.439 7.526 -0.405 1.00 0.00 O ATOM 515 CB GLU A 38 -2.300 8.533 -1.842 1.00 0.00 C ATOM 516 CG GLU A 38 -2.716 9.243 -3.131 1.00 0.00 C ATOM 517 CD GLU A 38 -1.665 10.279 -3.520 1.00 0.00 C ATOM 518 OE1 GLU A 38 -1.664 11.344 -2.926 1.00 0.00 O ATOM 519 OE2 GLU A 38 -0.880 9.991 -4.408 1.00 0.00 O ATOM 0 H GLU A 38 -2.752 6.526 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.416 7.942 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.163 8.044 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.931 9.260 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.836 8.516 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.682 9.728 -2.993 1.00 0.00 H new ATOM 526 N HIS A 39 -1.262 6.054 -0.159 1.00 0.00 N ATOM 527 CA HIS A 39 -0.748 5.556 1.124 1.00 0.00 C ATOM 528 C HIS A 39 0.284 4.438 0.940 1.00 0.00 C ATOM 529 O HIS A 39 1.223 4.323 1.730 1.00 0.00 O ATOM 530 CB HIS A 39 -1.907 5.154 2.073 1.00 0.00 C ATOM 531 CG HIS A 39 -2.533 3.810 1.751 1.00 0.00 C ATOM 532 ND1 HIS A 39 -3.906 3.652 1.662 1.00 0.00 N ATOM 533 CD2 HIS A 39 -2.007 2.552 1.590 1.00 0.00 C ATOM 534 CE1 HIS A 39 -4.152 2.346 1.466 1.00 0.00 C ATOM 535 NE2 HIS A 39 -3.030 1.631 1.411 1.00 0.00 N ATOM 0 H HIS A 39 -2.126 5.615 -0.478 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.214 6.375 1.605 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.533 5.133 3.097 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.679 5.922 2.031 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.954 2.314 1.601 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.142 1.926 1.365 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.941 0.625 1.268 1.00 0.00 H new ATOM 544 N LEU A 40 0.108 3.620 -0.104 1.00 0.00 N ATOM 545 CA LEU A 40 1.039 2.517 -0.375 1.00 0.00 C ATOM 546 C LEU A 40 2.440 3.047 -0.706 1.00 0.00 C ATOM 547 O LEU A 40 3.444 2.418 -0.367 1.00 0.00 O ATOM 548 CB LEU A 40 0.519 1.667 -1.540 1.00 0.00 C ATOM 549 CG LEU A 40 1.304 0.353 -1.610 1.00 0.00 C ATOM 550 CD1 LEU A 40 0.899 -0.549 -0.443 1.00 0.00 C ATOM 551 CD2 LEU A 40 0.988 -0.354 -2.931 1.00 0.00 C ATOM 0 H LEU A 40 -0.661 3.698 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 40 1.107 1.902 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.543 1.461 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.623 2.214 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 40 2.372 0.563 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.458 -1.483 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.118 -0.046 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.169 -0.761 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.545 -1.290 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.080 -0.564 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.275 0.287 -3.765 1.00 0.00 H new ATOM 563 N GLN A 41 2.491 4.211 -1.358 1.00 0.00 N ATOM 564 CA GLN A 41 3.767 4.829 -1.720 1.00 0.00 C ATOM 565 C GLN A 41 4.487 5.314 -0.458 1.00 0.00 C ATOM 566 O GLN A 41 5.708 5.197 -0.346 1.00 0.00 O ATOM 567 CB GLN A 41 3.515 6.009 -2.663 1.00 0.00 C ATOM 568 CG GLN A 41 4.787 6.349 -3.439 1.00 0.00 C ATOM 569 CD GLN A 41 4.567 7.630 -4.235 1.00 0.00 C ATOM 570 OE1 GLN A 41 4.640 7.623 -5.464 1.00 0.00 O ATOM 571 NE2 GLN A 41 4.292 8.737 -3.602 1.00 0.00 N ATOM 0 H GLN A 41 1.668 4.741 -1.644 1.00 0.00 H new ATOM 0 HA GLN A 41 4.394 4.093 -2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.712 5.763 -3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.187 6.877 -2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.623 6.474 -2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.046 5.530 -4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.232 8.741 -2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.137 9.599 -4.125 1.00 0.00 H new ATOM 580 N ARG A 42 3.711 5.853 0.487 1.00 0.00 N ATOM 581 CA ARG A 42 4.264 6.355 1.747 1.00 0.00 C ATOM 582 C ARG A 42 4.693 5.202 2.662 1.00 0.00 C ATOM 583 O ARG A 42 5.650 5.337 3.427 1.00 0.00 O ATOM 584 CB ARG A 42 3.213 7.205 2.472 1.00 0.00 C ATOM 585 CG ARG A 42 3.209 8.624 1.900 1.00 0.00 C ATOM 586 CD ARG A 42 2.067 9.421 2.532 1.00 0.00 C ATOM 587 NE ARG A 42 2.403 9.786 3.913 1.00 0.00 N ATOM 588 CZ ARG A 42 1.718 10.707 4.612 1.00 0.00 C ATOM 589 NH1 ARG A 42 0.698 11.356 4.093 1.00 0.00 N ATOM 590 NH2 ARG A 42 2.075 10.966 5.840 1.00 0.00 N ATOM 0 H ARG A 42 2.699 5.953 0.403 1.00 0.00 H new ATOM 0 HA ARG A 42 5.140 6.960 1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.227 6.755 2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.429 7.234 3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.163 9.112 2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.089 8.591 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.876 10.321 1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.151 8.830 2.517 1.00 0.00 H new ATOM 0 HE ARG A 42 3.191 9.320 4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.407 11.166 3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.198 12.049 4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.864 10.472 6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.565 11.662 6.383 1.00 0.00 H new ATOM 604 N GLN A 43 3.977 4.077 2.581 1.00 0.00 N ATOM 605 CA GLN A 43 4.290 2.911 3.411 1.00 0.00 C ATOM 606 C GLN A 43 5.514 2.174 2.869 1.00 0.00 C ATOM 607 O GLN A 43 6.320 1.647 3.640 1.00 0.00 O ATOM 608 CB GLN A 43 3.091 1.959 3.444 1.00 0.00 C ATOM 609 CG GLN A 43 2.054 2.478 4.443 1.00 0.00 C ATOM 610 CD GLN A 43 2.492 2.150 5.866 1.00 0.00 C ATOM 611 OE1 GLN A 43 3.424 2.764 6.389 1.00 0.00 O ATOM 612 NE2 GLN A 43 1.874 1.213 6.532 1.00 0.00 N ATOM 0 H GLN A 43 3.183 3.949 1.954 1.00 0.00 H new ATOM 0 HA GLN A 43 4.510 3.257 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.648 1.881 2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.416 0.958 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.935 3.556 4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.083 2.027 4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.103 0.704 6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.162 0.989 7.484 1.00 0.00 H new ATOM 621 N GLN A 44 5.639 2.137 1.541 1.00 0.00 N ATOM 622 CA GLN A 44 6.765 1.459 0.900 1.00 0.00 C ATOM 623 C GLN A 44 8.036 2.296 1.019 1.00 0.00 C ATOM 624 O GLN A 44 9.127 1.752 1.204 1.00 0.00 O ATOM 625 CB GLN A 44 6.450 1.209 -0.578 1.00 0.00 C ATOM 626 CG GLN A 44 5.600 -0.053 -0.715 1.00 0.00 C ATOM 627 CD GLN A 44 5.404 -0.390 -2.190 1.00 0.00 C ATOM 628 OE1 GLN A 44 5.117 0.493 -2.997 1.00 0.00 O ATOM 629 NE2 GLN A 44 5.543 -1.624 -2.591 1.00 0.00 N ATOM 0 H GLN A 44 4.978 2.566 0.893 1.00 0.00 H new ATOM 0 HA GLN A 44 6.926 0.506 1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.919 2.064 -0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.375 1.100 -1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.084 -0.885 -0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.633 0.096 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.781 -2.355 -1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.414 -1.858 -3.575 1.00 0.00 H new ATOM 638 N ASN A 45 7.885 3.618 0.915 1.00 0.00 N ATOM 639 CA ASN A 45 9.027 4.528 1.013 1.00 0.00 C ATOM 640 C ASN A 45 9.604 4.521 2.428 1.00 0.00 C ATOM 641 O ASN A 45 10.821 4.597 2.608 1.00 0.00 O ATOM 642 CB ASN A 45 8.595 5.949 0.637 1.00 0.00 C ATOM 643 CG ASN A 45 8.617 6.118 -0.879 1.00 0.00 C ATOM 644 OD1 ASN A 45 8.016 5.323 -1.601 1.00 0.00 O ATOM 645 ND2 ASN A 45 9.280 7.110 -1.407 1.00 0.00 N ATOM 0 H ASN A 45 6.988 4.080 0.764 1.00 0.00 H new ATOM 0 HA ASN A 45 9.798 4.189 0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.593 6.146 1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.262 6.675 1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.301 7.228 -2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.777 7.768 -0.807 1.00 0.00 H new ATOM 652 N SER A 46 8.721 4.425 3.424 1.00 0.00 N ATOM 653 CA SER A 46 9.151 4.403 4.820 1.00 0.00 C ATOM 654 C SER A 46 9.701 3.028 5.188 1.00 0.00 C ATOM 655 O SER A 46 10.797 2.919 5.744 1.00 0.00 O ATOM 656 CB SER A 46 7.974 4.748 5.734 1.00 0.00 C ATOM 657 OG SER A 46 7.671 6.130 5.602 1.00 0.00 O ATOM 0 H SER A 46 7.712 4.362 3.290 1.00 0.00 H new ATOM 0 HA SER A 46 9.940 5.144 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.104 4.146 5.471 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.221 4.515 6.770 1.00 0.00 H new ATOM 0 HG SER A 46 6.985 6.250 4.912 1.00 0.00 H new ATOM 663 N GLY A 47 8.933 1.983 4.874 1.00 0.00 N ATOM 664 CA GLY A 47 9.348 0.614 5.171 1.00 0.00 C ATOM 665 C GLY A 47 9.367 0.365 6.675 1.00 0.00 C ATOM 666 O GLY A 47 10.343 -0.167 7.209 1.00 0.00 O ATOM 0 H GLY A 47 8.025 2.059 4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.667 -0.089 4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.339 0.432 4.756 1.00 0.00 H new ATOM 670 N ARG A 48 8.285 0.757 7.351 1.00 0.00 N ATOM 671 CA ARG A 48 8.183 0.578 8.798 1.00 0.00 C ATOM 672 C ARG A 48 7.379 -0.678 9.131 1.00 0.00 C ATOM 673 O ARG A 48 7.900 -1.606 9.751 1.00 0.00 O ATOM 674 CB ARG A 48 7.516 1.802 9.429 1.00 0.00 C ATOM 675 CG ARG A 48 8.452 3.007 9.313 1.00 0.00 C ATOM 676 CD ARG A 48 7.764 4.245 9.891 1.00 0.00 C ATOM 677 NE ARG A 48 8.714 5.360 10.002 1.00 0.00 N ATOM 678 CZ ARG A 48 8.376 6.557 10.516 1.00 0.00 C ATOM 679 NH1 ARG A 48 7.161 6.808 10.949 1.00 0.00 N ATOM 680 NH2 ARG A 48 9.279 7.495 10.585 1.00 0.00 N ATOM 0 H ARG A 48 7.472 1.198 6.921 1.00 0.00 H new ATOM 0 HA ARG A 48 9.188 0.465 9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.570 2.013 8.929 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.286 1.605 10.476 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.382 2.812 9.848 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.715 3.178 8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.928 4.534 9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.351 4.013 10.873 1.00 0.00 H new ATOM 0 HE ARG A 48 9.670 5.221 9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.443 6.085 10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.936 7.726 11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.226 7.316 10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.038 8.407 10.972 1.00 0.00 H new ATOM 694 N MET A 49 6.110 -0.700 8.712 1.00 0.00 N ATOM 695 CA MET A 49 5.238 -1.852 8.968 1.00 0.00 C ATOM 696 C MET A 49 5.044 -2.670 7.693 1.00 0.00 C ATOM 697 O MET A 49 4.291 -2.271 6.802 1.00 0.00 O ATOM 698 CB MET A 49 3.876 -1.375 9.480 1.00 0.00 C ATOM 699 CG MET A 49 3.144 -2.541 10.151 1.00 0.00 C ATOM 700 SD MET A 49 3.898 -2.885 11.762 1.00 0.00 S ATOM 701 CE MET A 49 4.701 -4.447 11.321 1.00 0.00 C ATOM 0 H MET A 49 5.666 0.060 8.198 1.00 0.00 H new ATOM 0 HA MET A 49 5.711 -2.480 9.723 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.008 -0.558 10.190 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.281 -0.986 8.654 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.089 -2.297 10.276 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.193 -3.427 9.518 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.695 -4.483 11.766 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.106 -5.280 11.694 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.786 -4.519 10.237 1.00 0.00 H new ATOM 711 N SER A 50 5.730 -3.813 7.615 1.00 0.00 N ATOM 712 CA SER A 50 5.633 -4.685 6.447 1.00 0.00 C ATOM 713 C SER A 50 6.154 -6.090 6.778 1.00 0.00 C ATOM 714 O SER A 50 6.963 -6.241 7.697 1.00 0.00 O ATOM 715 CB SER A 50 6.444 -4.100 5.290 1.00 0.00 C ATOM 716 OG SER A 50 7.820 -4.074 5.650 1.00 0.00 O ATOM 0 H SER A 50 6.356 -4.153 8.345 1.00 0.00 H new ATOM 0 HA SER A 50 4.585 -4.757 6.157 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.302 -4.700 4.391 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.097 -3.093 5.059 1.00 0.00 H new ATOM 0 HG SER A 50 8.345 -3.701 4.911 1.00 0.00 H new ATOM 722 N PRO A 51 5.722 -7.118 6.057 1.00 0.00 N ATOM 723 CA PRO A 51 6.181 -8.517 6.307 1.00 0.00 C ATOM 724 C PRO A 51 7.600 -8.757 5.789 1.00 0.00 C ATOM 725 O PRO A 51 8.375 -9.493 6.402 1.00 0.00 O ATOM 726 CB PRO A 51 5.168 -9.373 5.544 1.00 0.00 C ATOM 727 CG PRO A 51 4.687 -8.509 4.428 1.00 0.00 C ATOM 728 CD PRO A 51 4.755 -7.065 4.934 1.00 0.00 C ATOM 0 HA PRO A 51 6.225 -8.750 7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.629 -10.285 5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.344 -9.677 6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.308 -8.639 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.668 -8.773 4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.090 -6.384 4.152 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.778 -6.713 5.266 1.00 0.00 H new ATOM 736 N MET A 52 7.928 -8.128 4.656 1.00 0.00 N ATOM 737 CA MET A 52 9.255 -8.273 4.057 1.00 0.00 C ATOM 738 C MET A 52 9.757 -6.928 3.539 1.00 0.00 C ATOM 739 O MET A 52 10.768 -6.410 4.016 1.00 0.00 O ATOM 740 CB MET A 52 9.203 -9.282 2.908 1.00 0.00 C ATOM 741 CG MET A 52 9.036 -10.694 3.475 1.00 0.00 C ATOM 742 SD MET A 52 10.601 -11.239 4.203 1.00 0.00 S ATOM 743 CE MET A 52 10.237 -13.011 4.220 1.00 0.00 C ATOM 0 H MET A 52 7.296 -7.517 4.139 1.00 0.00 H new ATOM 0 HA MET A 52 9.943 -8.634 4.822 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.374 -9.046 2.240 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.116 -9.222 2.316 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.249 -10.704 4.229 1.00 0.00 H new ATOM 0 HG3 MET A 52 8.731 -11.381 2.686 1.00 0.00 H new ATOM 0 HE1 MET A 52 11.085 -13.553 4.639 1.00 0.00 H new ATOM 0 HE2 MET A 52 9.352 -13.195 4.830 1.00 0.00 H new ATOM 0 HE3 MET A 52 10.054 -13.355 3.202 1.00 0.00 H new ATOM 753 N GLY A 53 9.041 -6.366 2.559 1.00 0.00 N ATOM 754 CA GLY A 53 9.418 -5.076 1.980 1.00 0.00 C ATOM 755 C GLY A 53 10.152 -5.259 0.654 1.00 0.00 C ATOM 756 O GLY A 53 9.986 -4.458 -0.267 1.00 0.00 O ATOM 0 H GLY A 53 8.203 -6.782 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.526 -4.470 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.054 -4.533 2.679 1.00 0.00 H new ATOM 760 N THR A 54 10.963 -6.316 0.565 1.00 0.00 N ATOM 761 CA THR A 54 11.724 -6.600 -0.654 1.00 0.00 C ATOM 762 C THR A 54 11.432 -8.014 -1.151 1.00 0.00 C ATOM 763 O THR A 54 11.049 -8.886 -0.370 1.00 0.00 O ATOM 764 CB THR A 54 13.223 -6.456 -0.382 1.00 0.00 C ATOM 765 OG1 THR A 54 13.584 -7.269 0.726 1.00 0.00 O ATOM 766 CG2 THR A 54 13.549 -4.993 -0.074 1.00 0.00 C ATOM 0 H THR A 54 11.109 -6.987 1.319 1.00 0.00 H new ATOM 0 HA THR A 54 11.423 -5.886 -1.420 1.00 0.00 H new ATOM 0 HB THR A 54 13.784 -6.773 -1.261 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.544 -7.178 0.899 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.617 -4.891 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.274 -4.372 -0.926 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.989 -4.673 0.804 1.00 0.00 H new ATOM 774 N ALA A 55 11.621 -8.230 -2.456 1.00 0.00 N ATOM 775 CA ALA A 55 11.380 -9.539 -3.054 1.00 0.00 C ATOM 776 C ALA A 55 12.644 -10.391 -3.002 1.00 0.00 C ATOM 777 O ALA A 55 13.664 -10.037 -3.597 1.00 0.00 O ATOM 778 CB ALA A 55 10.933 -9.375 -4.508 1.00 0.00 C ATOM 0 H ALA A 55 11.939 -7.517 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 55 10.594 -10.038 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.755 -10.357 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.014 -8.790 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.711 -8.861 -5.072 1.00 0.00 H new ATOM 784 N SER A 56 12.568 -11.516 -2.285 1.00 0.00 N ATOM 785 CA SER A 56 13.712 -12.416 -2.160 1.00 0.00 C ATOM 786 C SER A 56 13.717 -13.437 -3.294 1.00 0.00 C ATOM 787 O SER A 56 12.796 -13.471 -4.112 1.00 0.00 O ATOM 788 CB SER A 56 13.655 -13.143 -0.815 1.00 0.00 C ATOM 789 OG SER A 56 13.633 -12.185 0.236 1.00 0.00 O ATOM 0 H SER A 56 11.732 -11.821 -1.787 1.00 0.00 H new ATOM 0 HA SER A 56 14.626 -11.825 -2.216 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.767 -13.773 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.518 -13.799 -0.706 1.00 0.00 H new ATOM 0 HG SER A 56 13.595 -12.647 1.099 1.00 0.00 H new ATOM 795 N GLY A 57 14.763 -14.267 -3.334 1.00 0.00 N ATOM 796 CA GLY A 57 14.883 -15.289 -4.372 1.00 0.00 C ATOM 797 C GLY A 57 15.578 -14.734 -5.612 1.00 0.00 C ATOM 798 O GLY A 57 14.924 -14.419 -6.608 1.00 0.00 O ATOM 0 H GLY A 57 15.532 -14.250 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.445 -16.139 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.893 -15.657 -4.640 1.00 0.00 H new ATOM 802 N SER A 58 16.906 -14.614 -5.540 1.00 0.00 N ATOM 803 CA SER A 58 17.687 -14.095 -6.664 1.00 0.00 C ATOM 804 C SER A 58 19.051 -14.792 -6.748 1.00 0.00 C ATOM 805 O SER A 58 20.050 -14.182 -7.142 1.00 0.00 O ATOM 806 CB SER A 58 17.875 -12.584 -6.503 1.00 0.00 C ATOM 807 OG SER A 58 16.605 -11.970 -6.328 1.00 0.00 O ATOM 0 H SER A 58 17.459 -14.867 -4.721 1.00 0.00 H new ATOM 0 HA SER A 58 17.146 -14.296 -7.589 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.515 -12.375 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.373 -12.172 -7.381 1.00 0.00 H new ATOM 0 HG SER A 58 16.721 -11.003 -6.223 1.00 0.00 H new ATOM 813 N ASN A 59 19.082 -16.076 -6.378 1.00 0.00 N ATOM 814 CA ASN A 59 20.323 -16.850 -6.415 1.00 0.00 C ATOM 815 C ASN A 59 20.669 -17.246 -7.849 1.00 0.00 C ATOM 816 O ASN A 59 19.783 -17.373 -8.697 1.00 0.00 O ATOM 817 CB ASN A 59 20.198 -18.111 -5.543 1.00 0.00 C ATOM 818 CG ASN A 59 18.982 -18.942 -5.954 1.00 0.00 C ATOM 819 OD1 ASN A 59 17.874 -18.704 -5.472 1.00 0.00 O ATOM 820 ND2 ASN A 59 19.124 -19.907 -6.822 1.00 0.00 N ATOM 0 H ASN A 59 18.268 -16.597 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 59 21.123 -16.224 -6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 59 21.102 -18.713 -5.635 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.111 -17.826 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.317 -20.464 -7.101 1.00 0.00 H new ATOM 0 HD22 ASN A 59 20.042 -20.103 -7.221 1.00 0.00 H new ATOM 827 N SER A 60 21.966 -17.438 -8.114 1.00 0.00 N ATOM 828 CA SER A 60 22.428 -17.819 -9.448 1.00 0.00 C ATOM 829 C SER A 60 23.495 -18.920 -9.353 1.00 0.00 C ATOM 830 O SER A 60 24.242 -18.963 -8.373 1.00 0.00 O ATOM 831 CB SER A 60 23.014 -16.601 -10.162 1.00 0.00 C ATOM 832 OG SER A 60 23.532 -17.002 -11.425 1.00 0.00 O ATOM 0 H SER A 60 22.710 -17.336 -7.424 1.00 0.00 H new ATOM 0 HA SER A 60 21.578 -18.199 -10.014 1.00 0.00 H new ATOM 0 HB2 SER A 60 22.246 -15.839 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 60 23.803 -16.155 -9.557 1.00 0.00 H new ATOM 0 HG SER A 60 23.907 -16.223 -11.887 1.00 0.00 H new ATOM 838 N PRO A 61 23.588 -19.807 -10.338 1.00 0.00 N ATOM 839 CA PRO A 61 24.602 -20.914 -10.326 1.00 0.00 C ATOM 840 C PRO A 61 26.034 -20.392 -10.193 1.00 0.00 C ATOM 841 O PRO A 61 26.366 -19.327 -10.719 1.00 0.00 O ATOM 842 CB PRO A 61 24.403 -21.624 -11.673 1.00 0.00 C ATOM 843 CG PRO A 61 23.033 -21.251 -12.126 1.00 0.00 C ATOM 844 CD PRO A 61 22.753 -19.863 -11.558 1.00 0.00 C ATOM 0 HA PRO A 61 24.462 -21.575 -9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 61 25.154 -21.308 -12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 61 24.499 -22.704 -11.564 1.00 0.00 H new ATOM 0 HG2 PRO A 61 22.972 -21.244 -13.214 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.297 -21.972 -11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.024 -19.079 -12.265 1.00 0.00 H new ATOM 0 HD3 PRO A 61 21.696 -19.731 -11.326 1.00 0.00 H new ATOM 852 N THR A 62 26.873 -21.151 -9.486 1.00 0.00 N ATOM 853 CA THR A 62 28.268 -20.765 -9.285 1.00 0.00 C ATOM 854 C THR A 62 29.125 -21.214 -10.464 1.00 0.00 C ATOM 855 O THR A 62 29.875 -20.397 -10.972 1.00 0.00 O ATOM 856 CB THR A 62 28.802 -21.392 -7.994 1.00 0.00 C ATOM 857 OG1 THR A 62 27.805 -21.312 -6.985 1.00 0.00 O ATOM 858 CG2 THR A 62 30.054 -20.642 -7.539 1.00 0.00 C ATOM 859 OXT THR A 62 29.019 -22.369 -10.841 1.00 0.00 O ATOM 0 H THR A 62 26.611 -22.033 -9.045 1.00 0.00 H new ATOM 0 HA THR A 62 28.317 -19.679 -9.209 1.00 0.00 H new ATOM 0 HB THR A 62 29.055 -22.437 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 62 28.144 -21.714 -6.158 1.00 0.00 H new ATOM 0 HG21 THR A 62 30.433 -21.090 -6.620 1.00 0.00 H new ATOM 0 HG22 THR A 62 30.818 -20.705 -8.314 1.00 0.00 H new ATOM 0 HG23 THR A 62 29.806 -19.596 -7.358 1.00 0.00 H new TER 867 THR A 62 HETATM 868 ZN ZN A 63 -10.340 6.845 -0.833 1.00 0.00 ZN