USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 623 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 4 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.17) USER MOD Set 1.2: A 74 GLN : amide:sc= -0.512 K(o=0.76,f=-1.1) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 LYS NZ :NH3+ 173:sc= 0.608 (180deg=0.417) USER MOD Set 3.1: A 37 ASN :FLIP amide:sc= 0.977 F(o=1.2,f=2.2) USER MOD Set 3.2: A 42 THR OG1 : rot 88:sc= 1.2 USER MOD Set 4.1: A 13 THR OG1 : rot 94:sc= 0.252 USER MOD Set 4.2: A 17 CYS SG : rot -106:sc= 2.06 USER MOD Set 4.3: A 66 TYR OH : rot 123:sc= 0.061 USER MOD Single : A 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -145:sc= 0 (180deg=-0.0653) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.201 USER MOD Single : A 19 ASN : amide:sc= 1.06 K(o=1.1,f=-0.03) USER MOD Single : A 23 LYS NZ :NH3+ -112:sc= 0.03 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.668 K(o=0.67,f=-0.37) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.672 K(o=0.67,f=-0.63) USER MOD Single : A 44 THR OG1 : rot -38:sc= 1.26 USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.21! C(o=-3.2!,f=-6.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -131:sc= 0.719 (180deg=-1.1!) USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0234) USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= 1.18 (180deg=-0.0514) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.294 13.413 8.816 1.00 10.00 N ATOM 2 CA VAL A 1 -8.867 12.340 9.732 1.00 10.00 C ATOM 3 C VAL A 1 -7.788 11.486 9.067 1.00 10.00 C ATOM 4 O VAL A 1 -6.678 11.394 9.585 1.00 10.00 O ATOM 5 CB VAL A 1 -10.064 11.531 10.282 1.00 10.00 C ATOM 6 CG1 VAL A 1 -11.055 11.024 9.222 1.00 10.00 C ATOM 7 CG2 VAL A 1 -9.588 10.345 11.128 1.00 10.00 C ATOM 0 H1 VAL A 1 -10.028 13.990 9.275 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.478 14.014 8.581 1.00 10.00 H new ATOM 0 H3 VAL A 1 -9.678 12.994 7.945 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.415 12.787 10.617 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.609 12.250 10.893 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -11.857 10.469 9.709 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -11.476 11.872 8.683 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -10.535 10.370 8.521 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -10.452 9.795 11.501 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -8.974 9.685 10.516 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -9.000 10.711 11.969 1.00 10.00 H new ATOM 19 N THR A 2 -8.107 10.903 7.911 1.00 10.00 N ATOM 20 CA THR A 2 -7.211 10.121 7.077 1.00 10.00 C ATOM 21 C THR A 2 -7.393 10.609 5.634 1.00 10.00 C ATOM 22 O THR A 2 -8.257 11.451 5.379 1.00 10.00 O ATOM 23 CB THR A 2 -7.562 8.633 7.251 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.967 8.475 7.215 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.041 8.099 8.592 1.00 10.00 C ATOM 0 H THR A 2 -9.045 10.970 7.517 1.00 10.00 H new ATOM 0 HA THR A 2 -6.163 10.241 7.352 1.00 10.00 H new ATOM 0 HB THR A 2 -7.093 8.074 6.441 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.193 7.528 7.324 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.302 7.045 8.690 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.957 8.209 8.631 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.493 8.662 9.408 1.00 10.00 H new ATOM 33 N GLU A 3 -6.563 10.097 4.729 1.00 10.00 N ATOM 34 CA GLU A 3 -6.413 10.439 3.330 1.00 10.00 C ATOM 35 C GLU A 3 -6.247 9.132 2.568 1.00 10.00 C ATOM 36 O GLU A 3 -5.621 8.197 3.074 1.00 10.00 O ATOM 37 CB GLU A 3 -5.150 11.286 3.161 1.00 10.00 C ATOM 38 CG GLU A 3 -5.487 12.773 3.230 1.00 10.00 C ATOM 39 CD GLU A 3 -4.231 13.600 3.458 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.255 13.355 2.716 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.258 14.423 4.397 1.00 10.00 O ATOM 0 H GLU A 3 -5.914 9.355 4.992 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.273 10.999 2.963 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.430 11.034 3.940 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.678 11.058 2.205 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -5.970 13.085 2.304 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.198 12.953 4.037 1.00 10.00 H new ATOM 48 N LYS A 4 -6.829 9.073 1.369 1.00 10.00 N ATOM 49 CA LYS A 4 -6.936 7.876 0.575 1.00 10.00 C ATOM 50 C LYS A 4 -6.060 7.989 -0.659 1.00 10.00 C ATOM 51 O LYS A 4 -6.440 8.600 -1.654 1.00 10.00 O ATOM 52 CB LYS A 4 -8.396 7.682 0.222 1.00 10.00 C ATOM 53 CG LYS A 4 -8.648 6.237 -0.215 1.00 10.00 C ATOM 54 CD LYS A 4 -10.009 5.913 0.377 1.00 10.00 C ATOM 55 CE LYS A 4 -10.588 4.517 0.180 1.00 10.00 C ATOM 56 NZ LYS A 4 -11.937 4.505 0.782 1.00 10.00 N ATOM 0 H LYS A 4 -7.247 9.889 0.922 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.586 7.005 1.129 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -9.021 7.923 1.082 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.678 8.366 -0.579 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -8.651 6.142 -1.301 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -7.877 5.565 0.162 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -9.953 6.098 1.450 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -10.724 6.626 -0.033 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -10.639 4.270 -0.880 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -9.951 3.768 0.651 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -12.258 3.522 0.895 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -11.906 4.968 1.713 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -12.598 5.016 0.163 1.00 10.00 H new ATOM 70 N ALA A 5 -4.885 7.386 -0.564 1.00 10.00 N ATOM 71 CA ALA A 5 -3.854 7.440 -1.582 1.00 10.00 C ATOM 72 C ALA A 5 -3.903 6.157 -2.400 1.00 10.00 C ATOM 73 O ALA A 5 -4.263 5.106 -1.863 1.00 10.00 O ATOM 74 CB ALA A 5 -2.494 7.615 -0.909 1.00 10.00 C ATOM 0 H ALA A 5 -4.617 6.830 0.248 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.016 8.285 -2.251 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.714 7.656 -1.670 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.489 8.541 -0.334 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.307 6.773 -0.243 1.00 10.00 H new ATOM 80 N GLU A 6 -3.517 6.242 -3.678 1.00 10.00 N ATOM 81 CA GLU A 6 -3.354 5.092 -4.532 1.00 10.00 C ATOM 82 C GLU A 6 -1.942 5.046 -5.070 1.00 10.00 C ATOM 83 O GLU A 6 -1.295 6.080 -5.250 1.00 10.00 O ATOM 84 CB GLU A 6 -4.356 5.099 -5.680 1.00 10.00 C ATOM 85 CG GLU A 6 -5.699 4.573 -5.180 1.00 10.00 C ATOM 86 CD GLU A 6 -6.360 3.611 -6.154 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.986 2.419 -6.078 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.239 4.064 -6.915 1.00 10.00 O ATOM 0 H GLU A 6 -3.310 7.127 -4.140 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.543 4.200 -3.935 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.471 6.110 -6.071 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.992 4.479 -6.500 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.553 4.070 -4.224 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.368 5.414 -4.999 1.00 10.00 H new ATOM 95 N PHE A 7 -1.507 3.812 -5.310 1.00 10.00 N ATOM 96 CA PHE A 7 -0.136 3.459 -5.619 1.00 10.00 C ATOM 97 C PHE A 7 -0.148 2.420 -6.739 1.00 10.00 C ATOM 98 O PHE A 7 -0.969 1.499 -6.704 1.00 10.00 O ATOM 99 CB PHE A 7 0.580 2.933 -4.357 1.00 10.00 C ATOM 100 CG PHE A 7 0.384 3.736 -3.087 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.824 3.627 -2.376 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.441 4.486 -2.542 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.034 4.381 -1.217 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.254 5.187 -1.340 1.00 10.00 C ATOM 105 CZ PHE A 7 0.003 5.171 -0.700 1.00 10.00 C ATOM 0 H PHE A 7 -2.129 3.004 -5.292 1.00 10.00 H new ATOM 0 HA PHE A 7 0.417 4.336 -5.955 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.242 1.913 -4.172 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.648 2.881 -4.567 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.595 2.957 -2.727 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.395 4.523 -3.047 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -1.993 4.355 -0.721 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.074 5.740 -0.906 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.159 5.765 0.187 1.00 10.00 H new ATOM 115 N ASP A 8 0.751 2.578 -7.717 1.00 10.00 N ATOM 116 CA ASP A 8 0.908 1.684 -8.849 1.00 10.00 C ATOM 117 C ASP A 8 2.090 0.772 -8.516 1.00 10.00 C ATOM 118 O ASP A 8 3.052 1.203 -7.870 1.00 10.00 O ATOM 119 CB ASP A 8 1.148 2.511 -10.124 1.00 10.00 C ATOM 120 CG ASP A 8 -0.079 2.691 -11.017 1.00 10.00 C ATOM 121 OD1 ASP A 8 -1.218 2.394 -10.595 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.068 3.248 -12.129 1.00 10.00 O ATOM 0 H ASP A 8 1.406 3.360 -7.735 1.00 10.00 H new ATOM 0 HA ASP A 8 0.019 1.080 -9.032 1.00 10.00 H new ATOM 0 HB2 ASP A 8 1.517 3.495 -9.836 1.00 10.00 H new ATOM 0 HB3 ASP A 8 1.936 2.033 -10.706 1.00 10.00 H new ATOM 127 N ILE A 9 1.953 -0.512 -8.857 1.00 10.00 N ATOM 128 CA ILE A 9 2.761 -1.604 -8.337 1.00 10.00 C ATOM 129 C ILE A 9 3.600 -2.209 -9.458 1.00 10.00 C ATOM 130 O ILE A 9 3.100 -2.363 -10.570 1.00 10.00 O ATOM 131 CB ILE A 9 1.839 -2.687 -7.737 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.511 -2.160 -7.179 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.604 -3.442 -6.645 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.736 -1.170 -6.055 1.00 10.00 C ATOM 0 H ILE A 9 1.250 -0.825 -9.527 1.00 10.00 H new ATOM 0 HA ILE A 9 3.425 -1.221 -7.562 1.00 10.00 H new ATOM 0 HB ILE A 9 1.563 -3.347 -8.559 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.057 -1.683 -7.978 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.089 -2.994 -6.816 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.961 -4.210 -6.215 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.488 -3.910 -7.078 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.908 -2.744 -5.865 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.226 -0.817 -5.683 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.282 -1.656 -5.246 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.314 -0.324 -6.426 1.00 10.00 H new ATOM 146 N GLU A 10 4.847 -2.584 -9.161 1.00 10.00 N ATOM 147 CA GLU A 10 5.730 -3.233 -10.102 1.00 10.00 C ATOM 148 C GLU A 10 6.327 -4.465 -9.423 1.00 10.00 C ATOM 149 O GLU A 10 7.249 -4.342 -8.611 1.00 10.00 O ATOM 150 CB GLU A 10 6.810 -2.235 -10.518 1.00 10.00 C ATOM 151 CG GLU A 10 6.253 -1.151 -11.449 1.00 10.00 C ATOM 152 CD GLU A 10 7.334 -0.142 -11.808 1.00 10.00 C ATOM 153 OE1 GLU A 10 7.616 0.716 -10.942 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.880 -0.266 -12.925 1.00 10.00 O ATOM 0 H GLU A 10 5.267 -2.438 -8.243 1.00 10.00 H new ATOM 0 HA GLU A 10 5.201 -3.555 -10.999 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.236 -1.768 -9.630 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.620 -2.764 -11.019 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.862 -1.610 -12.357 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.420 -0.642 -10.965 1.00 10.00 H new ATOM 161 N GLY A 11 5.796 -5.643 -9.770 1.00 10.00 N ATOM 162 CA GLY A 11 6.361 -6.932 -9.396 1.00 10.00 C ATOM 163 C GLY A 11 5.521 -7.709 -8.383 1.00 10.00 C ATOM 164 O GLY A 11 6.033 -8.640 -7.763 1.00 10.00 O ATOM 0 H GLY A 11 4.946 -5.722 -10.329 1.00 10.00 H new ATOM 0 HA2 GLY A 11 6.482 -7.538 -10.294 1.00 10.00 H new ATOM 0 HA3 GLY A 11 7.357 -6.774 -8.982 1.00 10.00 H new ATOM 168 N MET A 12 4.239 -7.368 -8.215 1.00 10.00 N ATOM 169 CA MET A 12 3.329 -8.220 -7.466 1.00 10.00 C ATOM 170 C MET A 12 2.858 -9.373 -8.356 1.00 10.00 C ATOM 171 O MET A 12 3.041 -9.354 -9.569 1.00 10.00 O ATOM 172 CB MET A 12 2.175 -7.410 -6.857 1.00 10.00 C ATOM 173 CG MET A 12 1.275 -6.709 -7.881 1.00 10.00 C ATOM 174 SD MET A 12 -0.092 -5.767 -7.149 1.00 10.00 S ATOM 175 CE MET A 12 -1.185 -7.079 -6.575 1.00 10.00 C ATOM 0 H MET A 12 3.818 -6.516 -8.586 1.00 10.00 H new ATOM 0 HA MET A 12 3.855 -8.657 -6.617 1.00 10.00 H new ATOM 0 HB2 MET A 12 1.562 -8.076 -6.250 1.00 10.00 H new ATOM 0 HB3 MET A 12 2.591 -6.659 -6.185 1.00 10.00 H new ATOM 0 HG2 MET A 12 1.885 -6.035 -8.482 1.00 10.00 H new ATOM 0 HG3 MET A 12 0.864 -7.457 -8.559 1.00 10.00 H new ATOM 0 HE1 MET A 12 -2.222 -6.764 -6.689 1.00 10.00 H new ATOM 0 HE2 MET A 12 -1.012 -7.980 -7.163 1.00 10.00 H new ATOM 0 HE3 MET A 12 -0.983 -7.287 -5.524 1.00 10.00 H new ATOM 185 N THR A 13 2.268 -10.397 -7.739 1.00 10.00 N ATOM 186 CA THR A 13 1.751 -11.575 -8.365 1.00 10.00 C ATOM 187 C THR A 13 0.307 -11.289 -8.782 1.00 10.00 C ATOM 188 O THR A 13 -0.021 -11.375 -9.959 1.00 10.00 O ATOM 189 CB THR A 13 1.884 -12.659 -7.288 1.00 10.00 C ATOM 190 OG1 THR A 13 3.247 -12.936 -7.050 1.00 10.00 O ATOM 191 CG2 THR A 13 1.176 -13.929 -7.679 1.00 10.00 C ATOM 0 H THR A 13 2.139 -10.409 -6.727 1.00 10.00 H new ATOM 0 HA THR A 13 2.269 -11.892 -9.270 1.00 10.00 H new ATOM 0 HB THR A 13 1.416 -12.278 -6.380 1.00 10.00 H new ATOM 0 HG1 THR A 13 3.566 -12.391 -6.301 1.00 10.00 H new ATOM 0 HG21 THR A 13 1.295 -14.670 -6.889 1.00 10.00 H new ATOM 0 HG22 THR A 13 0.116 -13.724 -7.827 1.00 10.00 H new ATOM 0 HG23 THR A 13 1.604 -14.314 -8.605 1.00 10.00 H new ATOM 199 N CYS A 14 -0.538 -10.952 -7.796 1.00 10.00 N ATOM 200 CA CYS A 14 -1.964 -10.677 -7.888 1.00 10.00 C ATOM 201 C CYS A 14 -2.462 -10.792 -6.443 1.00 10.00 C ATOM 202 O CYS A 14 -1.924 -10.119 -5.559 1.00 10.00 O ATOM 203 CB CYS A 14 -2.728 -11.528 -8.933 1.00 10.00 C ATOM 204 SG CYS A 14 -2.483 -13.317 -8.759 1.00 10.00 S ATOM 0 H CYS A 14 -0.204 -10.859 -6.837 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.162 -9.684 -8.293 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -3.793 -11.309 -8.854 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.413 -11.225 -9.932 1.00 10.00 H new ATOM 0 HG CYS A 14 -3.163 -13.939 -9.676 1.00 10.00 H new ATOM 210 N ALA A 15 -3.410 -11.682 -6.161 1.00 10.00 N ATOM 211 CA ALA A 15 -4.059 -11.813 -4.871 1.00 10.00 C ATOM 212 C ALA A 15 -3.090 -12.217 -3.762 1.00 10.00 C ATOM 213 O ALA A 15 -3.192 -11.714 -2.645 1.00 10.00 O ATOM 214 CB ALA A 15 -5.209 -12.816 -4.986 1.00 10.00 C ATOM 0 H ALA A 15 -3.755 -12.351 -6.850 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.449 -10.835 -4.590 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -5.701 -12.918 -4.019 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -5.929 -12.461 -5.723 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -4.818 -13.784 -5.298 1.00 10.00 H new ATOM 220 N ALA A 16 -2.154 -13.127 -4.046 1.00 10.00 N ATOM 221 CA ALA A 16 -1.277 -13.687 -3.031 1.00 10.00 C ATOM 222 C ALA A 16 -0.436 -12.559 -2.455 1.00 10.00 C ATOM 223 O ALA A 16 -0.279 -12.425 -1.244 1.00 10.00 O ATOM 224 CB ALA A 16 -0.392 -14.771 -3.654 1.00 10.00 C ATOM 0 H ALA A 16 -1.988 -13.491 -4.984 1.00 10.00 H new ATOM 0 HA ALA A 16 -1.857 -14.149 -2.232 1.00 10.00 H new ATOM 0 HB1 ALA A 16 0.264 -15.188 -2.890 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -1.020 -15.562 -4.065 1.00 10.00 H new ATOM 0 HB3 ALA A 16 0.210 -14.335 -4.451 1.00 10.00 H new ATOM 230 N CYS A 17 0.070 -11.717 -3.356 1.00 10.00 N ATOM 231 CA CYS A 17 0.845 -10.568 -2.960 1.00 10.00 C ATOM 232 C CYS A 17 -0.030 -9.593 -2.188 1.00 10.00 C ATOM 233 O CYS A 17 0.295 -9.250 -1.051 1.00 10.00 O ATOM 234 CB CYS A 17 1.498 -9.897 -4.166 1.00 10.00 C ATOM 235 SG CYS A 17 3.092 -10.700 -4.466 1.00 10.00 S ATOM 0 H CYS A 17 -0.050 -11.820 -4.364 1.00 10.00 H new ATOM 0 HA CYS A 17 1.650 -10.901 -2.306 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.857 -9.985 -5.043 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.638 -8.832 -3.979 1.00 10.00 H new ATOM 0 HG CYS A 17 4.053 -9.913 -4.083 1.00 10.00 H new ATOM 241 N ALA A 18 -1.142 -9.169 -2.801 1.00 10.00 N ATOM 242 CA ALA A 18 -2.146 -8.295 -2.195 1.00 10.00 C ATOM 243 C ALA A 18 -2.433 -8.678 -0.742 1.00 10.00 C ATOM 244 O ALA A 18 -2.413 -7.827 0.146 1.00 10.00 O ATOM 245 CB ALA A 18 -3.425 -8.325 -3.029 1.00 10.00 C ATOM 0 H ALA A 18 -1.372 -9.434 -3.759 1.00 10.00 H new ATOM 0 HA ALA A 18 -1.750 -7.280 -2.183 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -4.171 -7.673 -2.575 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -3.208 -7.980 -4.040 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -3.810 -9.344 -3.068 1.00 10.00 H new ATOM 251 N ASN A 19 -2.654 -9.973 -0.502 1.00 10.00 N ATOM 252 CA ASN A 19 -2.934 -10.480 0.843 1.00 10.00 C ATOM 253 C ASN A 19 -1.836 -10.073 1.830 1.00 10.00 C ATOM 254 O ASN A 19 -2.120 -9.741 2.980 1.00 10.00 O ATOM 255 CB ASN A 19 -3.115 -12.006 0.844 1.00 10.00 C ATOM 256 CG ASN A 19 -4.552 -12.421 0.543 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.221 -13.015 1.380 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.039 -12.121 -0.656 1.00 10.00 N ATOM 0 H ASN A 19 -2.644 -10.692 -1.225 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.871 -10.028 1.167 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.449 -12.449 0.103 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.821 -12.404 1.815 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -5.993 -12.386 -0.900 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.459 -11.626 -1.333 1.00 10.00 H new ATOM 265 N ARG A 20 -0.572 -10.091 1.395 1.00 10.00 N ATOM 266 CA ARG A 20 0.526 -9.644 2.233 1.00 10.00 C ATOM 267 C ARG A 20 0.582 -8.117 2.296 1.00 10.00 C ATOM 268 O ARG A 20 0.803 -7.584 3.387 1.00 10.00 O ATOM 269 CB ARG A 20 1.868 -10.269 1.808 1.00 10.00 C ATOM 270 CG ARG A 20 2.474 -11.087 2.962 1.00 10.00 C ATOM 271 CD ARG A 20 2.876 -10.210 4.161 1.00 10.00 C ATOM 272 NE ARG A 20 3.037 -11.014 5.383 1.00 10.00 N ATOM 273 CZ ARG A 20 3.042 -10.517 6.633 1.00 10.00 C ATOM 274 NH1 ARG A 20 3.002 -9.193 6.827 1.00 10.00 N ATOM 275 NH2 ARG A 20 3.084 -11.345 7.684 1.00 10.00 N ATOM 0 H ARG A 20 -0.292 -10.411 0.468 1.00 10.00 H new ATOM 0 HA ARG A 20 0.337 -9.999 3.246 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.718 -10.911 0.940 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.562 -9.484 1.508 1.00 10.00 H new ATOM 0 HG2 ARG A 20 1.753 -11.836 3.290 1.00 10.00 H new ATOM 0 HG3 ARG A 20 3.350 -11.625 2.600 1.00 10.00 H new ATOM 0 HD2 ARG A 20 3.809 -9.692 3.939 1.00 10.00 H new ATOM 0 HD3 ARG A 20 2.118 -9.444 4.324 1.00 10.00 H new ATOM 0 HE ARG A 20 3.153 -12.021 5.274 1.00 10.00 H new ATOM 0 HH11 ARG A 20 2.968 -8.561 6.027 1.00 10.00 H new ATOM 0 HH12 ARG A 20 3.006 -8.816 7.775 1.00 10.00 H new ATOM 0 HH21 ARG A 20 3.112 -12.354 7.538 1.00 10.00 H new ATOM 0 HH22 ARG A 20 3.088 -10.967 8.631 1.00 10.00 H new ATOM 289 N ILE A 21 0.385 -7.417 1.164 1.00 10.00 N ATOM 290 CA ILE A 21 0.293 -5.954 1.148 1.00 10.00 C ATOM 291 C ILE A 21 -0.572 -5.483 2.315 1.00 10.00 C ATOM 292 O ILE A 21 -0.106 -4.684 3.127 1.00 10.00 O ATOM 293 CB ILE A 21 -0.296 -5.376 -0.158 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.329 -5.849 -1.473 1.00 10.00 C ATOM 295 CG2 ILE A 21 -0.235 -3.846 -0.116 1.00 10.00 C ATOM 296 CD1 ILE A 21 1.778 -5.423 -1.687 1.00 10.00 C ATOM 0 H ILE A 21 0.286 -7.849 0.245 1.00 10.00 H new ATOM 0 HA ILE A 21 1.317 -5.589 1.229 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.315 -5.764 -0.175 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.276 -6.937 -1.512 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -0.271 -5.470 -2.300 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.651 -3.440 -1.038 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.813 -3.482 0.734 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.802 -3.526 -0.014 1.00 10.00 H new ATOM 0 HD11 ILE A 21 2.132 -5.805 -2.644 1.00 10.00 H new ATOM 0 HD12 ILE A 21 1.841 -4.335 -1.685 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.397 -5.824 -0.885 1.00 10.00 H new ATOM 308 N GLU A 22 -1.806 -6.000 2.407 1.00 10.00 N ATOM 309 CA GLU A 22 -2.747 -5.638 3.458 1.00 10.00 C ATOM 310 C GLU A 22 -2.067 -5.572 4.823 1.00 10.00 C ATOM 311 O GLU A 22 -2.142 -4.561 5.505 1.00 10.00 O ATOM 312 CB GLU A 22 -3.870 -6.670 3.573 1.00 10.00 C ATOM 313 CG GLU A 22 -4.876 -6.703 2.424 1.00 10.00 C ATOM 314 CD GLU A 22 -6.020 -7.654 2.773 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.902 -8.340 3.822 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.999 -7.656 2.001 1.00 10.00 O ATOM 0 H GLU A 22 -2.174 -6.685 1.746 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.144 -4.661 3.183 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.419 -7.658 3.662 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.414 -6.483 4.499 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.265 -5.702 2.239 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.385 -7.029 1.507 1.00 10.00 H new ATOM 323 N LYS A 23 -1.446 -6.676 5.241 1.00 10.00 N ATOM 324 CA LYS A 23 -0.917 -6.863 6.583 1.00 10.00 C ATOM 325 C LYS A 23 0.345 -6.020 6.764 1.00 10.00 C ATOM 326 O LYS A 23 0.556 -5.399 7.804 1.00 10.00 O ATOM 327 CB LYS A 23 -0.664 -8.362 6.832 1.00 10.00 C ATOM 328 CG LYS A 23 -1.408 -8.914 8.061 1.00 10.00 C ATOM 329 CD LYS A 23 -2.846 -9.386 7.770 1.00 10.00 C ATOM 330 CE LYS A 23 -3.814 -8.249 7.393 1.00 10.00 C ATOM 331 NZ LYS A 23 -5.176 -8.729 7.065 1.00 10.00 N ATOM 0 H LYS A 23 -1.296 -7.483 4.636 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.640 -6.525 7.325 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.968 -8.925 5.950 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.406 -8.525 6.961 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.840 -9.749 8.471 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.440 -8.142 8.830 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -2.822 -10.113 6.958 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -3.233 -9.902 8.649 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.874 -7.542 8.220 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.411 -7.706 6.538 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -5.362 -8.581 6.053 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.249 -9.743 7.286 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.875 -8.201 7.626 1.00 10.00 H new ATOM 345 N ARG A 24 1.195 -6.008 5.737 1.00 10.00 N ATOM 346 CA ARG A 24 2.389 -5.187 5.701 1.00 10.00 C ATOM 347 C ARG A 24 2.025 -3.723 5.966 1.00 10.00 C ATOM 348 O ARG A 24 2.678 -3.059 6.767 1.00 10.00 O ATOM 349 CB ARG A 24 3.075 -5.377 4.342 1.00 10.00 C ATOM 350 CG ARG A 24 4.477 -4.765 4.297 1.00 10.00 C ATOM 351 CD ARG A 24 5.494 -5.590 5.097 1.00 10.00 C ATOM 352 NE ARG A 24 6.844 -5.047 4.917 1.00 10.00 N ATOM 353 CZ ARG A 24 7.953 -5.458 5.545 1.00 10.00 C ATOM 354 NH1 ARG A 24 7.958 -6.633 6.183 1.00 10.00 N ATOM 355 NH2 ARG A 24 9.039 -4.681 5.546 1.00 10.00 N ATOM 0 H ARG A 24 1.066 -6.577 4.901 1.00 10.00 H new ATOM 0 HA ARG A 24 3.087 -5.489 6.482 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.141 -6.442 4.119 1.00 10.00 H new ATOM 0 HB3 ARG A 24 2.461 -4.925 3.563 1.00 10.00 H new ATOM 0 HG2 ARG A 24 4.806 -4.691 3.261 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.442 -3.750 4.694 1.00 10.00 H new ATOM 0 HD2 ARG A 24 5.229 -5.581 6.154 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.466 -6.630 4.771 1.00 10.00 H new ATOM 0 HE ARG A 24 6.948 -4.283 4.249 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.119 -7.213 6.190 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.801 -6.949 6.662 1.00 10.00 H new ATOM 0 HH21 ARG A 24 9.021 -3.779 5.070 1.00 10.00 H new ATOM 0 HH22 ARG A 24 9.886 -4.989 6.023 1.00 10.00 H new ATOM 369 N LEU A 25 0.971 -3.236 5.310 1.00 10.00 N ATOM 370 CA LEU A 25 0.454 -1.893 5.519 1.00 10.00 C ATOM 371 C LEU A 25 -0.297 -1.772 6.846 1.00 10.00 C ATOM 372 O LEU A 25 -0.173 -0.757 7.518 1.00 10.00 O ATOM 373 CB LEU A 25 -0.423 -1.484 4.335 1.00 10.00 C ATOM 374 CG LEU A 25 0.370 -0.636 3.320 1.00 10.00 C ATOM 375 CD1 LEU A 25 0.097 -1.125 1.901 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.087 0.812 3.466 1.00 10.00 C ATOM 0 H LEU A 25 0.451 -3.771 4.614 1.00 10.00 H new ATOM 0 HA LEU A 25 1.298 -1.206 5.579 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.812 -2.375 3.843 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.282 -0.917 4.694 1.00 10.00 H new ATOM 0 HG LEU A 25 1.440 -0.721 3.510 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.662 -0.519 1.192 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.401 -2.168 1.811 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.968 -1.038 1.685 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.457 1.438 2.759 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.156 0.879 3.262 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.110 1.155 4.482 1.00 10.00 H new ATOM 388 N ASN A 26 -1.049 -2.798 7.252 1.00 10.00 N ATOM 389 CA ASN A 26 -1.734 -2.842 8.545 1.00 10.00 C ATOM 390 C ASN A 26 -0.742 -2.541 9.666 1.00 10.00 C ATOM 391 O ASN A 26 -1.126 -1.974 10.684 1.00 10.00 O ATOM 392 CB ASN A 26 -2.385 -4.217 8.763 1.00 10.00 C ATOM 393 CG ASN A 26 -3.464 -4.298 9.846 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.335 -5.159 9.750 1.00 10.00 O ATOM 395 ND2 ASN A 26 -3.442 -3.462 10.880 1.00 10.00 N ATOM 0 H ASN A 26 -1.201 -3.632 6.684 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.520 -2.086 8.553 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.824 -4.540 7.819 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.599 -4.931 9.010 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.154 -3.531 11.607 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -2.713 -2.752 10.946 1.00 10.00 H new ATOM 402 N LYS A 27 0.525 -2.934 9.497 1.00 10.00 N ATOM 403 CA LYS A 27 1.550 -2.602 10.469 1.00 10.00 C ATOM 404 C LYS A 27 1.730 -1.092 10.695 1.00 10.00 C ATOM 405 O LYS A 27 2.118 -0.697 11.791 1.00 10.00 O ATOM 406 CB LYS A 27 2.874 -3.216 10.015 1.00 10.00 C ATOM 407 CG LYS A 27 3.527 -4.087 11.091 1.00 10.00 C ATOM 408 CD LYS A 27 5.023 -3.776 11.166 1.00 10.00 C ATOM 409 CE LYS A 27 5.708 -4.038 9.818 1.00 10.00 C ATOM 410 NZ LYS A 27 7.098 -3.532 9.830 1.00 10.00 N ATOM 0 H LYS A 27 0.855 -3.478 8.700 1.00 10.00 H new ATOM 0 HA LYS A 27 1.227 -3.012 11.426 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.702 -3.818 9.122 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.561 -2.418 9.734 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.058 -3.901 12.057 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.376 -5.142 10.861 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.167 -2.735 11.455 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.487 -4.389 11.939 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.707 -5.107 9.606 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.146 -3.554 9.019 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.544 -3.719 8.909 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.093 -2.508 10.011 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.636 -4.013 10.579 1.00 10.00 H new ATOM 424 N ILE A 28 1.540 -0.263 9.662 1.00 10.00 N ATOM 425 CA ILE A 28 1.634 1.187 9.788 1.00 10.00 C ATOM 426 C ILE A 28 0.634 1.643 10.853 1.00 10.00 C ATOM 427 O ILE A 28 -0.505 1.187 10.848 1.00 10.00 O ATOM 428 CB ILE A 28 1.364 1.855 8.425 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.311 1.375 7.308 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.459 3.375 8.549 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.778 1.295 7.724 1.00 10.00 C ATOM 0 H ILE A 28 1.317 -0.582 8.719 1.00 10.00 H new ATOM 0 HA ILE A 28 2.637 1.482 10.096 1.00 10.00 H new ATOM 0 HB ILE A 28 0.354 1.559 8.140 1.00 10.00 H new ATOM 0 HG12 ILE A 28 1.987 0.391 6.970 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.222 2.050 6.457 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.266 3.832 7.578 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.721 3.728 9.270 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.458 3.651 8.888 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.377 0.949 6.881 1.00 10.00 H new ATOM 0 HD12 ILE A 28 4.123 2.282 8.034 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.883 0.597 8.554 1.00 10.00 H new ATOM 443 N GLU A 29 1.046 2.503 11.786 1.00 10.00 N ATOM 444 CA GLU A 29 0.204 2.843 12.920 1.00 10.00 C ATOM 445 C GLU A 29 -0.847 3.893 12.523 1.00 10.00 C ATOM 446 O GLU A 29 -2.024 3.728 12.842 1.00 10.00 O ATOM 447 CB GLU A 29 1.075 3.162 14.147 1.00 10.00 C ATOM 448 CG GLU A 29 0.335 2.927 15.473 1.00 10.00 C ATOM 449 CD GLU A 29 1.308 2.785 16.638 1.00 10.00 C ATOM 450 OE1 GLU A 29 1.918 3.814 16.998 1.00 10.00 O ATOM 451 OE2 GLU A 29 1.425 1.649 17.144 1.00 10.00 O ATOM 0 H GLU A 29 1.952 2.971 11.774 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.397 1.990 13.233 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.973 2.544 14.121 1.00 10.00 H new ATOM 0 HB3 GLU A 29 1.401 4.201 14.096 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -0.344 3.758 15.664 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -0.276 2.027 15.396 1.00 10.00 H new ATOM 458 N GLY A 30 -0.501 4.923 11.740 1.00 10.00 N ATOM 459 CA GLY A 30 -1.457 5.906 11.258 1.00 10.00 C ATOM 460 C GLY A 30 -2.268 5.398 10.078 1.00 10.00 C ATOM 461 O GLY A 30 -2.510 6.146 9.133 1.00 10.00 O ATOM 0 H GLY A 30 0.455 5.091 11.427 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.133 6.179 12.069 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -0.926 6.812 10.967 1.00 10.00 H new ATOM 465 N VAL A 31 -2.675 4.135 10.105 1.00 10.00 N ATOM 466 CA VAL A 31 -3.391 3.490 9.029 1.00 10.00 C ATOM 467 C VAL A 31 -4.850 3.346 9.442 1.00 10.00 C ATOM 468 O VAL A 31 -5.149 3.197 10.624 1.00 10.00 O ATOM 469 CB VAL A 31 -2.694 2.159 8.728 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.164 1.011 9.625 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.834 1.817 7.252 1.00 10.00 C ATOM 0 H VAL A 31 -2.508 3.520 10.902 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.383 4.071 8.107 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.637 2.290 8.960 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.630 0.099 9.358 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -2.962 1.258 10.667 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.235 0.858 9.489 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.335 0.869 7.049 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -3.890 1.733 6.997 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.377 2.603 6.651 1.00 10.00 H new ATOM 481 N ALA A 32 -5.757 3.405 8.468 1.00 10.00 N ATOM 482 CA ALA A 32 -7.173 3.177 8.691 1.00 10.00 C ATOM 483 C ALA A 32 -7.597 1.930 7.932 1.00 10.00 C ATOM 484 O ALA A 32 -8.109 0.995 8.540 1.00 10.00 O ATOM 485 CB ALA A 32 -7.964 4.416 8.283 1.00 10.00 C ATOM 0 H ALA A 32 -5.522 3.614 7.498 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.378 3.006 9.748 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.027 4.241 8.452 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -7.637 5.269 8.878 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -7.794 4.625 7.227 1.00 10.00 H new ATOM 491 N ASN A 33 -7.370 1.896 6.614 1.00 10.00 N ATOM 492 CA ASN A 33 -7.766 0.762 5.791 1.00 10.00 C ATOM 493 C ASN A 33 -6.765 0.591 4.656 1.00 10.00 C ATOM 494 O ASN A 33 -6.159 1.565 4.216 1.00 10.00 O ATOM 495 CB ASN A 33 -9.172 0.979 5.216 1.00 10.00 C ATOM 496 CG ASN A 33 -10.239 1.151 6.289 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.636 0.191 6.939 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.726 2.372 6.469 1.00 10.00 N ATOM 0 H ASN A 33 -6.912 2.647 6.098 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.780 -0.137 6.408 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.164 1.861 4.576 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.434 0.130 4.585 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.453 2.533 7.166 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.373 3.149 5.911 1.00 10.00 H new ATOM 505 N ALA A 34 -6.614 -0.640 4.157 1.00 10.00 N ATOM 506 CA ALA A 34 -5.798 -0.943 2.986 1.00 10.00 C ATOM 507 C ALA A 34 -6.557 -1.890 2.048 1.00 10.00 C ATOM 508 O ALA A 34 -6.145 -3.036 1.876 1.00 10.00 O ATOM 509 CB ALA A 34 -4.458 -1.527 3.448 1.00 10.00 C ATOM 0 H ALA A 34 -7.062 -1.461 4.563 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.591 -0.035 2.420 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.842 -1.756 2.579 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.942 -0.801 4.077 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.636 -2.439 4.018 1.00 10.00 H new ATOM 515 N PRO A 35 -7.673 -1.450 1.442 1.00 10.00 N ATOM 516 CA PRO A 35 -8.469 -2.283 0.555 1.00 10.00 C ATOM 517 C PRO A 35 -7.792 -2.342 -0.818 1.00 10.00 C ATOM 518 O PRO A 35 -8.296 -1.793 -1.794 1.00 10.00 O ATOM 519 CB PRO A 35 -9.839 -1.598 0.517 1.00 10.00 C ATOM 520 CG PRO A 35 -9.477 -0.117 0.632 1.00 10.00 C ATOM 521 CD PRO A 35 -8.273 -0.131 1.576 1.00 10.00 C ATOM 0 HA PRO A 35 -8.569 -3.318 0.883 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -10.374 -1.814 -0.408 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.478 -1.924 1.338 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.225 0.314 -0.337 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.301 0.470 1.037 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.561 0.650 1.311 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.582 0.054 2.605 1.00 10.00 H new ATOM 529 N VAL A 36 -6.622 -2.976 -0.885 1.00 10.00 N ATOM 530 CA VAL A 36 -5.826 -3.036 -2.098 1.00 10.00 C ATOM 531 C VAL A 36 -6.492 -3.912 -3.157 1.00 10.00 C ATOM 532 O VAL A 36 -7.277 -4.800 -2.823 1.00 10.00 O ATOM 533 CB VAL A 36 -4.419 -3.540 -1.760 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.833 -2.770 -0.573 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.392 -5.040 -1.457 1.00 10.00 C ATOM 0 H VAL A 36 -6.203 -3.463 -0.093 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.749 -2.034 -2.520 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.809 -3.365 -2.646 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.834 -3.146 -0.353 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.775 -1.710 -0.820 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.472 -2.905 0.300 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.372 -5.346 -1.224 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -5.038 -5.251 -0.605 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.747 -5.593 -2.327 1.00 10.00 H new ATOM 545 N ASN A 37 -6.146 -3.705 -4.431 1.00 10.00 N ATOM 546 CA ASN A 37 -6.757 -4.479 -5.502 1.00 10.00 C ATOM 547 C ASN A 37 -5.934 -5.729 -5.806 1.00 10.00 C ATOM 548 O ASN A 37 -4.740 -5.654 -6.087 1.00 10.00 O ATOM 549 CB ASN A 37 -6.960 -3.626 -6.746 1.00 10.00 C ATOM 550 CG ASN A 37 -7.884 -2.444 -6.469 1.00 10.00 C ATOM 551 OD1 ASN A 37 -7.405 -1.234 -6.712 1.00 10.00 O flip ATOM 552 ND2 ASN A 37 -9.021 -2.627 -6.049 1.00 10.00 N flip ATOM 0 H ASN A 37 -5.457 -3.018 -4.737 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.742 -4.805 -5.167 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.996 -3.260 -7.099 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.380 -4.238 -7.544 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -9.354 -3.575 -5.874 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.635 -1.831 -5.875 1.00 10.00 H new ATOM 559 N PHE A 38 -6.593 -6.886 -5.778 1.00 10.00 N ATOM 560 CA PHE A 38 -5.991 -8.217 -5.800 1.00 10.00 C ATOM 561 C PHE A 38 -6.026 -8.840 -7.199 1.00 10.00 C ATOM 562 O PHE A 38 -6.125 -10.057 -7.343 1.00 10.00 O ATOM 563 CB PHE A 38 -6.691 -9.083 -4.735 1.00 10.00 C ATOM 564 CG PHE A 38 -8.166 -8.787 -4.530 1.00 10.00 C ATOM 565 CD1 PHE A 38 -9.127 -9.346 -5.390 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.555 -7.830 -3.573 1.00 10.00 C ATOM 567 CE1 PHE A 38 -10.476 -8.961 -5.282 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.895 -7.418 -3.491 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.858 -7.992 -4.338 1.00 10.00 C ATOM 0 H PHE A 38 -7.612 -6.922 -5.737 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.932 -8.148 -5.553 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -6.582 -10.131 -5.013 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -6.174 -8.950 -3.784 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -8.830 -10.071 -6.134 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.821 -7.412 -2.900 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -11.219 -9.410 -5.925 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.185 -6.661 -2.778 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.892 -7.689 -4.264 1.00 10.00 H new ATOM 579 N ALA A 39 -5.913 -7.998 -8.228 1.00 10.00 N ATOM 580 CA ALA A 39 -5.924 -8.400 -9.632 1.00 10.00 C ATOM 581 C ALA A 39 -5.556 -7.222 -10.533 1.00 10.00 C ATOM 582 O ALA A 39 -4.839 -7.385 -11.513 1.00 10.00 O ATOM 583 CB ALA A 39 -7.317 -8.910 -10.021 1.00 10.00 C ATOM 0 H ALA A 39 -5.809 -6.991 -8.102 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.189 -9.194 -9.763 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.316 -9.208 -11.070 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.577 -9.768 -9.401 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.050 -8.118 -9.870 1.00 10.00 H new ATOM 589 N LEU A 40 -6.076 -6.036 -10.205 1.00 10.00 N ATOM 590 CA LEU A 40 -5.951 -4.836 -11.021 1.00 10.00 C ATOM 591 C LEU A 40 -4.528 -4.270 -10.972 1.00 10.00 C ATOM 592 O LEU A 40 -4.153 -3.479 -11.831 1.00 10.00 O ATOM 593 CB LEU A 40 -6.949 -3.773 -10.538 1.00 10.00 C ATOM 594 CG LEU A 40 -8.370 -4.286 -10.243 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.263 -3.083 -9.926 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.949 -5.113 -11.393 1.00 10.00 C ATOM 0 H LEU A 40 -6.606 -5.885 -9.346 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.171 -5.107 -12.054 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.553 -3.312 -9.633 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.013 -2.990 -11.293 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.325 -4.959 -9.387 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.275 -3.427 -9.714 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.869 -2.557 -9.057 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.281 -2.408 -10.781 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.952 -5.449 -11.131 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.995 -4.501 -12.294 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.313 -5.979 -11.575 1.00 10.00 H new ATOM 608 N GLU A 41 -3.773 -4.653 -9.937 1.00 10.00 N ATOM 609 CA GLU A 41 -2.414 -4.210 -9.669 1.00 10.00 C ATOM 610 C GLU A 41 -2.392 -2.715 -9.361 1.00 10.00 C ATOM 611 O GLU A 41 -1.608 -1.950 -9.917 1.00 10.00 O ATOM 612 CB GLU A 41 -1.435 -4.629 -10.774 1.00 10.00 C ATOM 613 CG GLU A 41 -1.294 -6.154 -10.875 1.00 10.00 C ATOM 614 CD GLU A 41 -0.004 -6.524 -11.599 1.00 10.00 C ATOM 615 OE1 GLU A 41 1.056 -6.408 -10.943 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.099 -6.901 -12.785 1.00 10.00 O ATOM 0 H GLU A 41 -4.114 -5.310 -9.236 1.00 10.00 H new ATOM 0 HA GLU A 41 -2.055 -4.721 -8.775 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.778 -4.233 -11.730 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.458 -4.188 -10.578 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.296 -6.592 -9.877 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.149 -6.570 -11.408 1.00 10.00 H new ATOM 623 N THR A 42 -3.251 -2.330 -8.418 1.00 10.00 N ATOM 624 CA THR A 42 -3.336 -1.001 -7.852 1.00 10.00 C ATOM 625 C THR A 42 -3.585 -1.167 -6.352 1.00 10.00 C ATOM 626 O THR A 42 -4.512 -1.866 -5.940 1.00 10.00 O ATOM 627 CB THR A 42 -4.462 -0.216 -8.539 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.592 -1.038 -8.744 1.00 10.00 O ATOM 629 CG2 THR A 42 -4.007 0.321 -9.898 1.00 10.00 C ATOM 0 H THR A 42 -3.934 -2.972 -8.015 1.00 10.00 H new ATOM 0 HA THR A 42 -2.417 -0.436 -8.008 1.00 10.00 H new ATOM 0 HB THR A 42 -4.720 0.616 -7.883 1.00 10.00 H new ATOM 0 HG1 THR A 42 -6.166 -1.010 -7.950 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.824 0.873 -10.363 1.00 10.00 H new ATOM 0 HG22 THR A 42 -3.153 0.984 -9.760 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.720 -0.511 -10.540 1.00 10.00 H new ATOM 637 N VAL A 43 -2.728 -0.575 -5.526 1.00 10.00 N ATOM 638 CA VAL A 43 -2.902 -0.575 -4.080 1.00 10.00 C ATOM 639 C VAL A 43 -3.560 0.742 -3.691 1.00 10.00 C ATOM 640 O VAL A 43 -3.139 1.796 -4.162 1.00 10.00 O ATOM 641 CB VAL A 43 -1.539 -0.778 -3.404 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.476 -0.324 -1.943 1.00 10.00 C ATOM 643 CG2 VAL A 43 -1.087 -2.237 -3.535 1.00 10.00 C ATOM 0 H VAL A 43 -1.893 -0.082 -5.842 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.543 -1.392 -3.749 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.850 -0.125 -3.939 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.476 -0.506 -1.548 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.702 0.741 -1.883 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.205 -0.883 -1.356 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.119 -2.363 -3.050 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.819 -2.889 -3.058 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -1.001 -2.498 -4.590 1.00 10.00 H new ATOM 653 N THR A 44 -4.562 0.663 -2.815 1.00 10.00 N ATOM 654 CA THR A 44 -5.316 1.773 -2.280 1.00 10.00 C ATOM 655 C THR A 44 -5.149 1.750 -0.764 1.00 10.00 C ATOM 656 O THR A 44 -5.378 0.701 -0.157 1.00 10.00 O ATOM 657 CB THR A 44 -6.791 1.557 -2.640 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.970 1.147 -3.984 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.603 2.809 -2.319 1.00 10.00 C ATOM 0 H THR A 44 -4.879 -0.233 -2.445 1.00 10.00 H new ATOM 0 HA THR A 44 -4.975 2.727 -2.681 1.00 10.00 H new ATOM 0 HB THR A 44 -7.162 0.737 -2.025 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.332 1.620 -4.558 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.648 2.642 -2.580 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.525 3.030 -1.254 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.216 3.651 -2.893 1.00 10.00 H new ATOM 667 N VAL A 45 -4.750 2.867 -0.145 1.00 10.00 N ATOM 668 CA VAL A 45 -4.585 2.946 1.300 1.00 10.00 C ATOM 669 C VAL A 45 -5.272 4.196 1.838 1.00 10.00 C ATOM 670 O VAL A 45 -5.001 5.298 1.367 1.00 10.00 O ATOM 671 CB VAL A 45 -3.098 2.933 1.673 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.940 2.875 3.196 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.398 1.729 1.034 1.00 10.00 C ATOM 0 H VAL A 45 -4.535 3.735 -0.635 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.053 2.073 1.756 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.638 3.848 1.299 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.880 2.866 3.452 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.414 3.748 3.645 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.413 1.970 3.577 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.343 1.734 1.308 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.861 0.808 1.389 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.491 1.787 -0.050 1.00 10.00 H new ATOM 683 N GLU A 46 -6.121 3.998 2.851 1.00 10.00 N ATOM 684 CA GLU A 46 -6.676 5.024 3.719 1.00 10.00 C ATOM 685 C GLU A 46 -5.728 5.089 4.929 1.00 10.00 C ATOM 686 O GLU A 46 -5.760 4.194 5.781 1.00 10.00 O ATOM 687 CB GLU A 46 -8.131 4.640 4.085 1.00 10.00 C ATOM 688 CG GLU A 46 -9.148 5.800 4.103 1.00 10.00 C ATOM 689 CD GLU A 46 -10.569 5.246 3.953 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.833 4.247 4.645 1.00 10.00 O ATOM 691 OE2 GLU A 46 -11.344 5.711 3.086 1.00 10.00 O ATOM 0 H GLU A 46 -6.453 3.065 3.095 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.739 6.010 3.258 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.478 3.889 3.375 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.126 4.171 5.069 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -9.062 6.357 5.036 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.932 6.498 3.294 1.00 10.00 H new ATOM 698 N TYR A 47 -4.847 6.095 4.981 1.00 10.00 N ATOM 699 CA TYR A 47 -3.895 6.311 6.076 1.00 10.00 C ATOM 700 C TYR A 47 -3.895 7.790 6.435 1.00 10.00 C ATOM 701 O TYR A 47 -4.570 8.566 5.775 1.00 10.00 O ATOM 702 CB TYR A 47 -2.472 5.848 5.705 1.00 10.00 C ATOM 703 CG TYR A 47 -1.675 6.835 4.864 1.00 10.00 C ATOM 704 CD1 TYR A 47 -2.132 7.206 3.586 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.620 7.556 5.459 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.646 8.378 2.978 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.125 8.717 4.843 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.685 9.164 3.637 1.00 10.00 C ATOM 709 OH TYR A 47 -0.299 10.367 3.125 1.00 10.00 O ATOM 0 H TYR A 47 -4.775 6.798 4.245 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.207 5.713 6.932 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -1.920 5.647 6.623 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.542 4.905 5.163 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.856 6.591 3.072 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.192 7.215 6.390 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -2.011 8.674 2.006 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.687 9.266 5.298 1.00 10.00 H new ATOM 0 HH TYR A 47 -1.043 10.764 2.625 1.00 10.00 H new ATOM 719 N ASN A 48 -3.146 8.204 7.454 1.00 10.00 N ATOM 720 CA ASN A 48 -3.010 9.607 7.814 1.00 10.00 C ATOM 721 C ASN A 48 -1.561 10.075 7.658 1.00 10.00 C ATOM 722 O ASN A 48 -0.640 9.391 8.100 1.00 10.00 O ATOM 723 CB ASN A 48 -3.568 9.854 9.221 1.00 10.00 C ATOM 724 CG ASN A 48 -2.879 9.094 10.358 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.661 8.998 10.443 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.657 8.651 11.340 1.00 10.00 N ATOM 0 H ASN A 48 -2.616 7.571 8.053 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.603 10.210 7.126 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.505 10.921 9.433 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.626 9.590 9.223 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.240 8.229 12.170 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.671 8.733 11.264 1.00 10.00 H new ATOM 733 N PRO A 49 -1.314 11.255 7.074 1.00 10.00 N ATOM 734 CA PRO A 49 -0.003 11.872 7.140 1.00 10.00 C ATOM 735 C PRO A 49 0.155 12.557 8.506 1.00 10.00 C ATOM 736 O PRO A 49 0.400 13.760 8.558 1.00 10.00 O ATOM 737 CB PRO A 49 0.018 12.850 5.961 1.00 10.00 C ATOM 738 CG PRO A 49 -1.437 13.310 5.871 1.00 10.00 C ATOM 739 CD PRO A 49 -2.227 12.065 6.277 1.00 10.00 C ATOM 0 HA PRO A 49 0.831 11.174 7.062 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.695 13.685 6.141 1.00 10.00 H new ATOM 0 HB3 PRO A 49 0.346 12.366 5.041 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.636 14.148 6.539 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.693 13.638 4.864 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.113 12.335 6.852 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.571 11.517 5.400 1.00 10.00 H new ATOM 747 N LYS A 50 -0.001 11.809 9.612 1.00 10.00 N ATOM 748 CA LYS A 50 0.282 12.338 10.950 1.00 10.00 C ATOM 749 C LYS A 50 1.306 11.472 11.686 1.00 10.00 C ATOM 750 O LYS A 50 2.173 11.999 12.377 1.00 10.00 O ATOM 751 CB LYS A 50 -1.010 12.607 11.744 1.00 10.00 C ATOM 752 CG LYS A 50 -1.771 11.376 12.247 1.00 10.00 C ATOM 753 CD LYS A 50 -2.286 11.444 13.687 1.00 10.00 C ATOM 754 CE LYS A 50 -3.534 12.326 13.803 1.00 10.00 C ATOM 755 NZ LYS A 50 -4.163 12.188 15.134 1.00 10.00 N ATOM 0 H LYS A 50 -0.320 10.840 9.602 1.00 10.00 H new ATOM 0 HA LYS A 50 0.753 13.315 10.841 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.759 13.228 12.604 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.682 13.190 11.115 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.621 11.205 11.586 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.117 10.508 12.157 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -2.517 10.438 14.038 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -1.502 11.836 14.335 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -3.264 13.368 13.632 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -4.250 12.051 13.029 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -5.005 12.796 15.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -4.441 11.197 15.285 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -3.485 12.473 15.869 1.00 10.00 H new ATOM 769 N GLU A 51 1.198 10.151 11.534 1.00 10.00 N ATOM 770 CA GLU A 51 2.102 9.178 12.107 1.00 10.00 C ATOM 771 C GLU A 51 3.108 8.788 11.017 1.00 10.00 C ATOM 772 O GLU A 51 4.305 9.037 11.139 1.00 10.00 O ATOM 773 CB GLU A 51 1.223 8.007 12.575 1.00 10.00 C ATOM 774 CG GLU A 51 1.958 6.974 13.430 1.00 10.00 C ATOM 775 CD GLU A 51 2.778 6.009 12.581 1.00 10.00 C ATOM 776 OE1 GLU A 51 2.140 5.256 11.808 1.00 10.00 O ATOM 777 OE2 GLU A 51 4.017 6.055 12.699 1.00 10.00 O ATOM 0 H GLU A 51 0.450 9.724 10.988 1.00 10.00 H new ATOM 0 HA GLU A 51 2.676 9.543 12.959 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.383 8.403 13.146 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.806 7.508 11.700 1.00 10.00 H new ATOM 0 HG2 GLU A 51 2.615 7.487 14.133 1.00 10.00 H new ATOM 0 HG3 GLU A 51 1.235 6.412 14.021 1.00 10.00 H new ATOM 784 N ALA A 52 2.588 8.216 9.928 1.00 10.00 N ATOM 785 CA ALA A 52 3.359 7.614 8.852 1.00 10.00 C ATOM 786 C ALA A 52 3.360 8.502 7.615 1.00 10.00 C ATOM 787 O ALA A 52 2.830 9.612 7.627 1.00 10.00 O ATOM 788 CB ALA A 52 2.737 6.255 8.547 1.00 10.00 C ATOM 0 H ALA A 52 1.582 8.161 9.772 1.00 10.00 H new ATOM 0 HA ALA A 52 4.400 7.496 9.154 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.292 5.773 7.742 1.00 10.00 H new ATOM 0 HB2 ALA A 52 2.775 5.629 9.439 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.699 6.390 8.242 1.00 10.00 H new ATOM 794 N SER A 53 3.951 8.002 6.527 1.00 10.00 N ATOM 795 CA SER A 53 3.918 8.666 5.240 1.00 10.00 C ATOM 796 C SER A 53 3.843 7.633 4.123 1.00 10.00 C ATOM 797 O SER A 53 4.154 6.455 4.309 1.00 10.00 O ATOM 798 CB SER A 53 5.157 9.554 5.084 1.00 10.00 C ATOM 799 OG SER A 53 6.324 8.755 5.041 1.00 10.00 O ATOM 0 H SER A 53 4.466 7.121 6.523 1.00 10.00 H new ATOM 0 HA SER A 53 3.032 9.297 5.180 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.078 10.146 4.172 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.218 10.256 5.915 1.00 10.00 H new ATOM 0 HG SER A 53 7.111 9.330 4.939 1.00 10.00 H new ATOM 805 N VAL A 54 3.494 8.118 2.934 1.00 10.00 N ATOM 806 CA VAL A 54 3.515 7.355 1.699 1.00 10.00 C ATOM 807 C VAL A 54 4.880 6.693 1.481 1.00 10.00 C ATOM 808 O VAL A 54 4.956 5.558 1.012 1.00 10.00 O ATOM 809 CB VAL A 54 3.093 8.268 0.534 1.00 10.00 C ATOM 810 CG1 VAL A 54 1.635 8.699 0.742 1.00 10.00 C ATOM 811 CG2 VAL A 54 3.975 9.516 0.373 1.00 10.00 C ATOM 0 H VAL A 54 3.181 9.080 2.805 1.00 10.00 H new ATOM 0 HA VAL A 54 2.798 6.536 1.757 1.00 10.00 H new ATOM 0 HB VAL A 54 3.211 7.687 -0.381 1.00 10.00 H new ATOM 0 HG11 VAL A 54 1.326 9.347 -0.079 1.00 10.00 H new ATOM 0 HG12 VAL A 54 0.995 7.817 0.769 1.00 10.00 H new ATOM 0 HG13 VAL A 54 1.546 9.240 1.684 1.00 10.00 H new ATOM 0 HG21 VAL A 54 3.616 10.109 -0.468 1.00 10.00 H new ATOM 0 HG22 VAL A 54 3.930 10.113 1.284 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.005 9.212 0.188 1.00 10.00 H new ATOM 821 N SER A 55 5.962 7.390 1.845 1.00 10.00 N ATOM 822 CA SER A 55 7.308 6.849 1.748 1.00 10.00 C ATOM 823 C SER A 55 7.466 5.627 2.653 1.00 10.00 C ATOM 824 O SER A 55 8.112 4.651 2.259 1.00 10.00 O ATOM 825 CB SER A 55 8.358 7.910 2.095 1.00 10.00 C ATOM 826 OG SER A 55 9.640 7.432 1.719 1.00 10.00 O ATOM 0 H SER A 55 5.922 8.341 2.213 1.00 10.00 H new ATOM 0 HA SER A 55 7.468 6.540 0.715 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.137 8.842 1.576 1.00 10.00 H new ATOM 0 HB3 SER A 55 8.335 8.127 3.163 1.00 10.00 H new ATOM 0 HG SER A 55 10.317 8.106 1.937 1.00 10.00 H new ATOM 832 N ASP A 56 6.898 5.675 3.861 1.00 10.00 N ATOM 833 CA ASP A 56 7.066 4.601 4.821 1.00 10.00 C ATOM 834 C ASP A 56 6.392 3.344 4.279 1.00 10.00 C ATOM 835 O ASP A 56 7.028 2.305 4.115 1.00 10.00 O ATOM 836 CB ASP A 56 6.506 5.014 6.184 1.00 10.00 C ATOM 837 CG ASP A 56 6.926 3.994 7.227 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.369 2.879 7.178 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.815 4.342 8.029 1.00 10.00 O ATOM 0 H ASP A 56 6.320 6.449 4.189 1.00 10.00 H new ATOM 0 HA ASP A 56 8.125 4.387 4.966 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.874 6.003 6.457 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.419 5.079 6.139 1.00 10.00 H new ATOM 844 N LEU A 57 5.118 3.456 3.896 1.00 10.00 N ATOM 845 CA LEU A 57 4.396 2.294 3.399 1.00 10.00 C ATOM 846 C LEU A 57 5.004 1.782 2.086 1.00 10.00 C ATOM 847 O LEU A 57 5.209 0.576 1.932 1.00 10.00 O ATOM 848 CB LEU A 57 2.888 2.551 3.377 1.00 10.00 C ATOM 849 CG LEU A 57 2.431 3.594 2.351 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.171 2.954 0.981 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.186 4.343 2.844 1.00 10.00 C ATOM 0 H LEU A 57 4.579 4.322 3.921 1.00 10.00 H new ATOM 0 HA LEU A 57 4.519 1.463 4.093 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.376 1.611 3.172 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.574 2.875 4.369 1.00 10.00 H new ATOM 0 HG LEU A 57 3.240 4.316 2.235 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.848 3.721 0.277 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.087 2.489 0.617 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.392 2.197 1.075 1.00 10.00 H new ATOM 0 HD21 LEU A 57 0.883 5.077 2.097 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.375 3.633 3.005 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.415 4.852 3.781 1.00 10.00 H new ATOM 863 N LYS A 58 5.366 2.683 1.161 1.00 10.00 N ATOM 864 CA LYS A 58 6.270 2.375 0.068 1.00 10.00 C ATOM 865 C LYS A 58 7.439 1.514 0.528 1.00 10.00 C ATOM 866 O LYS A 58 7.639 0.465 -0.063 1.00 10.00 O ATOM 867 CB LYS A 58 6.708 3.668 -0.630 1.00 10.00 C ATOM 868 CG LYS A 58 7.577 3.500 -1.877 1.00 10.00 C ATOM 869 CD LYS A 58 9.073 3.174 -1.706 1.00 10.00 C ATOM 870 CE LYS A 58 9.912 4.253 -0.995 1.00 10.00 C ATOM 871 NZ LYS A 58 9.984 4.084 0.472 1.00 10.00 N ATOM 0 H LYS A 58 5.033 3.647 1.159 1.00 10.00 H new ATOM 0 HA LYS A 58 5.741 1.772 -0.670 1.00 10.00 H new ATOM 0 HB2 LYS A 58 5.815 4.227 -0.908 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.255 4.278 0.089 1.00 10.00 H new ATOM 0 HG2 LYS A 58 7.135 2.709 -2.482 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.505 4.421 -2.455 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.162 2.243 -1.147 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.503 2.996 -2.692 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.923 4.241 -1.403 1.00 10.00 H new ATOM 0 HE3 LYS A 58 9.490 5.233 -1.218 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.657 4.771 0.868 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.043 4.243 0.886 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.302 3.119 0.695 1.00 10.00 H new ATOM 885 N GLU A 59 8.213 1.924 1.540 1.00 10.00 N ATOM 886 CA GLU A 59 9.326 1.132 2.042 1.00 10.00 C ATOM 887 C GLU A 59 8.844 -0.249 2.468 1.00 10.00 C ATOM 888 O GLU A 59 9.413 -1.263 2.070 1.00 10.00 O ATOM 889 CB GLU A 59 9.950 1.867 3.225 1.00 10.00 C ATOM 890 CG GLU A 59 11.423 1.519 3.433 1.00 10.00 C ATOM 891 CD GLU A 59 11.667 0.090 3.925 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.822 -0.412 4.700 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.702 -0.478 3.518 1.00 10.00 O ATOM 0 H GLU A 59 8.081 2.810 2.027 1.00 10.00 H new ATOM 0 HA GLU A 59 10.070 1.000 1.256 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.854 2.942 3.070 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.394 1.625 4.131 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.955 1.663 2.493 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.852 2.217 4.152 1.00 10.00 H new ATOM 900 N ALA A 60 7.763 -0.283 3.246 1.00 10.00 N ATOM 901 CA ALA A 60 7.217 -1.524 3.745 1.00 10.00 C ATOM 902 C ALA A 60 7.019 -2.501 2.584 1.00 10.00 C ATOM 903 O ALA A 60 7.417 -3.661 2.696 1.00 10.00 O ATOM 904 CB ALA A 60 5.942 -1.256 4.548 1.00 10.00 C ATOM 0 H ALA A 60 7.251 0.548 3.541 1.00 10.00 H new ATOM 0 HA ALA A 60 7.915 -1.996 4.437 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.540 -2.199 4.918 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.173 -0.604 5.390 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.203 -0.774 3.908 1.00 10.00 H new ATOM 910 N VAL A 61 6.456 -2.037 1.465 1.00 10.00 N ATOM 911 CA VAL A 61 6.335 -2.843 0.254 1.00 10.00 C ATOM 912 C VAL A 61 7.696 -3.107 -0.413 1.00 10.00 C ATOM 913 O VAL A 61 8.008 -4.248 -0.739 1.00 10.00 O ATOM 914 CB VAL A 61 5.310 -2.217 -0.703 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.252 -3.019 -2.008 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.919 -2.221 -0.050 1.00 10.00 C ATOM 0 H VAL A 61 6.074 -1.096 1.376 1.00 10.00 H new ATOM 0 HA VAL A 61 5.961 -3.827 0.537 1.00 10.00 H new ATOM 0 HB VAL A 61 5.613 -1.192 -0.919 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.522 -2.568 -2.680 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.234 -3.014 -2.482 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.959 -4.046 -1.791 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.195 -1.776 -0.733 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.625 -3.247 0.173 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.949 -1.643 0.874 1.00 10.00 H new ATOM 926 N ASP A 62 8.527 -2.078 -0.577 1.00 10.00 N ATOM 927 CA ASP A 62 9.874 -2.156 -1.143 1.00 10.00 C ATOM 928 C ASP A 62 10.622 -3.343 -0.524 1.00 10.00 C ATOM 929 O ASP A 62 11.275 -4.134 -1.202 1.00 10.00 O ATOM 930 CB ASP A 62 10.601 -0.827 -0.852 1.00 10.00 C ATOM 931 CG ASP A 62 11.558 -0.394 -1.940 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.453 -1.166 -2.334 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.432 0.746 -2.443 1.00 10.00 O ATOM 0 H ASP A 62 8.270 -1.128 -0.308 1.00 10.00 H new ATOM 0 HA ASP A 62 9.832 -2.311 -2.221 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.858 -0.044 -0.704 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.152 -0.924 0.084 1.00 10.00 H new ATOM 938 N LYS A 63 10.456 -3.490 0.792 1.00 10.00 N ATOM 939 CA LYS A 63 11.154 -4.452 1.616 1.00 10.00 C ATOM 940 C LYS A 63 10.527 -5.843 1.500 1.00 10.00 C ATOM 941 O LYS A 63 11.231 -6.830 1.709 1.00 10.00 O ATOM 942 CB LYS A 63 11.177 -3.922 3.053 1.00 10.00 C ATOM 943 CG LYS A 63 11.886 -4.834 4.069 1.00 10.00 C ATOM 944 CD LYS A 63 13.348 -5.107 3.693 1.00 10.00 C ATOM 945 CE LYS A 63 14.042 -5.913 4.799 1.00 10.00 C ATOM 946 NZ LYS A 63 15.454 -6.197 4.469 1.00 10.00 N ATOM 0 H LYS A 63 9.804 -2.914 1.324 1.00 10.00 H new ATOM 0 HA LYS A 63 12.182 -4.572 1.273 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.666 -2.948 3.058 1.00 10.00 H new ATOM 0 HB3 LYS A 63 10.150 -3.764 3.383 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.848 -4.372 5.055 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.350 -5.780 4.139 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.392 -5.655 2.752 1.00 10.00 H new ATOM 0 HD3 LYS A 63 13.872 -4.164 3.537 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.992 -5.360 5.737 1.00 10.00 H new ATOM 0 HE3 LYS A 63 13.509 -6.851 4.953 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 15.888 -6.743 5.241 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 15.501 -6.746 3.587 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 15.969 -5.302 4.347 1.00 10.00 H new ATOM 960 N LEU A 64 9.232 -5.958 1.172 1.00 10.00 N ATOM 961 CA LEU A 64 8.689 -7.228 0.731 1.00 10.00 C ATOM 962 C LEU A 64 9.465 -7.765 -0.474 1.00 10.00 C ATOM 963 O LEU A 64 9.728 -8.964 -0.532 1.00 10.00 O ATOM 964 CB LEU A 64 7.207 -7.079 0.379 1.00 10.00 C ATOM 965 CG LEU A 64 6.270 -6.921 1.580 1.00 10.00 C ATOM 966 CD1 LEU A 64 4.856 -6.661 1.056 1.00 10.00 C ATOM 967 CD2 LEU A 64 6.280 -8.186 2.439 1.00 10.00 C ATOM 0 H LEU A 64 8.558 -5.193 1.206 1.00 10.00 H new ATOM 0 HA LEU A 64 8.789 -7.942 1.549 1.00 10.00 H new ATOM 0 HB2 LEU A 64 7.089 -6.212 -0.272 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.895 -7.952 -0.194 1.00 10.00 H new ATOM 0 HG LEU A 64 6.605 -6.088 2.199 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.172 -6.545 1.897 1.00 10.00 H new ATOM 0 HD12 LEU A 64 4.852 -5.750 0.457 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.536 -7.502 0.441 1.00 10.00 H new ATOM 0 HD21 LEU A 64 5.608 -8.055 3.288 1.00 10.00 H new ATOM 0 HD22 LEU A 64 5.948 -9.035 1.841 1.00 10.00 H new ATOM 0 HD23 LEU A 64 7.291 -8.371 2.802 1.00 10.00 H new ATOM 979 N GLY A 65 9.827 -6.898 -1.428 1.00 10.00 N ATOM 980 CA GLY A 65 10.691 -7.290 -2.537 1.00 10.00 C ATOM 981 C GLY A 65 10.394 -6.509 -3.814 1.00 10.00 C ATOM 982 O GLY A 65 11.309 -6.143 -4.547 1.00 10.00 O ATOM 0 H GLY A 65 9.532 -5.922 -1.450 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.732 -7.135 -2.254 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.568 -8.356 -2.730 1.00 10.00 H new ATOM 986 N TYR A 66 9.109 -6.291 -4.097 1.00 10.00 N ATOM 987 CA TYR A 66 8.638 -5.606 -5.296 1.00 10.00 C ATOM 988 C TYR A 66 8.392 -4.134 -4.974 1.00 10.00 C ATOM 989 O TYR A 66 8.227 -3.769 -3.812 1.00 10.00 O ATOM 990 CB TYR A 66 7.390 -6.305 -5.852 1.00 10.00 C ATOM 991 CG TYR A 66 6.473 -6.923 -4.816 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.625 -6.109 -4.045 1.00 10.00 C ATOM 993 CD2 TYR A 66 6.566 -8.298 -4.532 1.00 10.00 C ATOM 994 CE1 TYR A 66 4.878 -6.669 -2.999 1.00 10.00 C ATOM 995 CE2 TYR A 66 5.808 -8.857 -3.490 1.00 10.00 C ATOM 996 CZ TYR A 66 4.943 -8.046 -2.740 1.00 10.00 C ATOM 997 OH TYR A 66 4.116 -8.610 -1.817 1.00 10.00 O ATOM 0 H TYR A 66 8.352 -6.593 -3.484 1.00 10.00 H new ATOM 0 HA TYR A 66 9.397 -5.652 -6.077 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.818 -5.581 -6.433 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.709 -7.086 -6.542 1.00 10.00 H new ATOM 0 HD1 TYR A 66 5.549 -5.053 -4.258 1.00 10.00 H new ATOM 0 HD2 TYR A 66 7.222 -8.925 -5.117 1.00 10.00 H new ATOM 0 HE1 TYR A 66 4.249 -6.037 -2.390 1.00 10.00 H new ATOM 0 HE2 TYR A 66 5.891 -9.910 -3.266 1.00 10.00 H new ATOM 0 HH TYR A 66 3.598 -9.328 -2.237 1.00 10.00 H new ATOM 1007 N LYS A 67 8.410 -3.277 -5.997 1.00 10.00 N ATOM 1008 CA LYS A 67 8.394 -1.844 -5.819 1.00 10.00 C ATOM 1009 C LYS A 67 6.958 -1.322 -5.841 1.00 10.00 C ATOM 1010 O LYS A 67 6.085 -1.864 -6.525 1.00 10.00 O ATOM 1011 CB LYS A 67 9.240 -1.211 -6.926 1.00 10.00 C ATOM 1012 CG LYS A 67 10.756 -1.335 -6.690 1.00 10.00 C ATOM 1013 CD LYS A 67 11.268 -0.347 -5.628 1.00 10.00 C ATOM 1014 CE LYS A 67 12.795 -0.451 -5.475 1.00 10.00 C ATOM 1015 NZ LYS A 67 13.291 0.365 -4.350 1.00 10.00 N ATOM 0 H LYS A 67 8.436 -3.571 -6.973 1.00 10.00 H new ATOM 0 HA LYS A 67 8.817 -1.577 -4.850 1.00 10.00 H new ATOM 0 HB2 LYS A 67 8.989 -1.681 -7.877 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.979 -0.156 -7.013 1.00 10.00 H new ATOM 0 HG2 LYS A 67 10.990 -2.353 -6.378 1.00 10.00 H new ATOM 0 HG3 LYS A 67 11.282 -1.160 -7.628 1.00 10.00 H new ATOM 0 HD2 LYS A 67 10.995 0.670 -5.909 1.00 10.00 H new ATOM 0 HD3 LYS A 67 10.787 -0.553 -4.672 1.00 10.00 H new ATOM 0 HE2 LYS A 67 13.074 -1.493 -5.319 1.00 10.00 H new ATOM 0 HE3 LYS A 67 13.275 -0.127 -6.398 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 14.094 0.944 -4.669 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.530 0.986 -4.009 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 13.600 -0.259 -3.578 1.00 10.00 H new ATOM 1029 N LEU A 68 6.750 -0.245 -5.080 1.00 10.00 N ATOM 1030 CA LEU A 68 5.509 0.494 -4.967 1.00 10.00 C ATOM 1031 C LEU A 68 5.832 1.941 -5.308 1.00 10.00 C ATOM 1032 O LEU A 68 6.929 2.408 -4.988 1.00 10.00 O ATOM 1033 CB LEU A 68 5.031 0.421 -3.508 1.00 10.00 C ATOM 1034 CG LEU A 68 3.613 0.968 -3.301 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.610 -0.126 -3.633 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.355 1.450 -1.875 1.00 10.00 C ATOM 0 H LEU A 68 7.489 0.149 -4.498 1.00 10.00 H new ATOM 0 HA LEU A 68 4.738 0.094 -5.625 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.064 -0.616 -3.175 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.723 0.980 -2.879 1.00 10.00 H new ATOM 0 HG LEU A 68 3.504 1.830 -3.959 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.598 0.252 -3.489 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.738 -0.434 -4.671 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.774 -0.981 -2.977 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.334 1.824 -1.797 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.492 0.621 -1.180 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.054 2.249 -1.629 1.00 10.00 H new ATOM 1048 N LYS A 69 4.882 2.673 -5.887 1.00 10.00 N ATOM 1049 CA LYS A 69 4.974 4.114 -5.968 1.00 10.00 C ATOM 1050 C LYS A 69 3.592 4.739 -5.998 1.00 10.00 C ATOM 1051 O LYS A 69 2.673 4.146 -6.549 1.00 10.00 O ATOM 1052 CB LYS A 69 5.808 4.498 -7.198 1.00 10.00 C ATOM 1053 CG LYS A 69 6.458 5.868 -7.022 1.00 10.00 C ATOM 1054 CD LYS A 69 7.309 5.854 -5.742 1.00 10.00 C ATOM 1055 CE LYS A 69 8.679 6.517 -5.927 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.564 5.696 -6.783 1.00 10.00 N ATOM 0 H LYS A 69 4.039 2.281 -6.306 1.00 10.00 H new ATOM 0 HA LYS A 69 5.474 4.502 -5.081 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.579 3.746 -7.366 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.172 4.506 -8.083 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.080 6.104 -7.886 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.694 6.643 -6.958 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.768 6.367 -4.947 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.451 4.823 -5.418 1.00 10.00 H new ATOM 0 HE2 LYS A 69 8.551 7.503 -6.374 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.147 6.666 -4.954 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.526 6.090 -6.766 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 9.583 4.719 -6.426 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.205 5.701 -7.759 1.00 10.00 H new ATOM 1070 N LEU A 70 3.441 5.915 -5.383 1.00 10.00 N ATOM 1071 CA LEU A 70 2.172 6.627 -5.375 1.00 10.00 C ATOM 1072 C LEU A 70 1.810 7.048 -6.796 1.00 10.00 C ATOM 1073 O LEU A 70 2.668 7.155 -7.673 1.00 10.00 O ATOM 1074 CB LEU A 70 2.263 7.859 -4.472 1.00 10.00 C ATOM 1075 CG LEU A 70 0.921 8.458 -4.017 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.966 8.731 -2.515 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.641 9.788 -4.725 1.00 10.00 C ATOM 0 H LEU A 70 4.191 6.392 -4.883 1.00 10.00 H new ATOM 0 HA LEU A 70 1.397 5.966 -4.988 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.840 7.594 -3.586 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.824 8.631 -4.999 1.00 10.00 H new ATOM 0 HG LEU A 70 0.137 7.742 -4.263 1.00 10.00 H new ATOM 0 HD11 LEU A 70 0.015 9.155 -2.194 1.00 10.00 H new ATOM 0 HD12 LEU A 70 1.146 7.798 -1.981 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.769 9.435 -2.297 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.314 10.188 -4.384 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.435 10.498 -4.493 1.00 10.00 H new ATOM 0 HD23 LEU A 70 0.602 9.626 -5.802 1.00 10.00 H new ATOM 1089 N LYS A 71 0.525 7.308 -6.980 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.136 7.647 -8.211 1.00 10.00 C ATOM 1091 C LYS A 71 -0.919 8.930 -7.981 1.00 10.00 C ATOM 1092 O LYS A 71 -0.740 9.920 -8.684 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.070 6.479 -8.497 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.891 6.701 -9.757 1.00 10.00 C ATOM 1095 CD LYS A 71 -1.913 5.343 -10.453 1.00 10.00 C ATOM 1096 CE LYS A 71 -2.745 5.197 -11.725 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.445 3.879 -12.325 1.00 10.00 N ATOM 0 H LYS A 71 -0.130 7.282 -6.199 1.00 10.00 H new ATOM 0 HA LYS A 71 0.545 7.809 -9.046 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.486 5.565 -8.602 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.739 6.334 -7.649 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.899 7.039 -9.518 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.442 7.464 -10.393 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.884 5.077 -10.696 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.272 4.606 -9.734 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.808 5.277 -11.495 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.509 5.997 -12.427 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.150 3.663 -13.059 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -1.497 3.899 -12.751 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.478 3.146 -11.588 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.787 8.893 -6.970 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.586 10.025 -6.560 1.00 10.00 C ATOM 1113 C GLY A 72 -3.509 9.566 -5.444 1.00 10.00 C ATOM 1114 O GLY A 72 -3.133 9.600 -4.273 1.00 10.00 O ATOM 0 H GLY A 72 -1.950 8.056 -6.410 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.947 10.838 -6.216 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.165 10.408 -7.401 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.695 9.093 -5.814 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.814 8.920 -4.906 1.00 10.00 C ATOM 1120 C GLU A 73 -6.882 8.078 -5.597 1.00 10.00 C ATOM 1121 O GLU A 73 -6.771 7.815 -6.794 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.346 10.297 -4.472 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.697 11.210 -5.659 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.162 12.579 -5.183 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.141 12.607 -4.407 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -6.524 13.571 -5.595 1.00 10.00 O ATOM 0 H GLU A 73 -4.905 8.815 -6.773 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.502 8.396 -4.003 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.233 10.159 -3.853 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.598 10.790 -3.851 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -5.826 11.323 -6.304 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.480 10.746 -6.259 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.883 7.637 -4.830 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.934 6.753 -5.321 1.00 10.00 C ATOM 1135 C GLN A 74 -9.703 7.370 -6.494 1.00 10.00 C ATOM 1136 O GLN A 74 -10.068 8.546 -6.453 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.883 6.354 -4.177 1.00 10.00 C ATOM 1138 CG GLN A 74 -10.450 7.560 -3.408 1.00 10.00 C ATOM 1139 CD GLN A 74 -11.613 7.201 -2.487 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -11.849 6.041 -2.157 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -12.362 8.207 -2.048 1.00 10.00 N ATOM 0 H GLN A 74 -7.984 7.887 -3.846 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.455 5.850 -5.700 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -10.709 5.772 -4.586 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -9.350 5.706 -3.481 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -9.653 8.011 -2.816 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -10.782 8.313 -4.122 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -12.150 9.163 -2.333 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -13.149 8.023 -1.426 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.038 6.555 -7.499 1.00 10.00 N ATOM 1151 CA ASP A 75 -10.980 6.928 -8.548 1.00 10.00 C ATOM 1152 C ASP A 75 -12.386 6.971 -7.942 1.00 10.00 C ATOM 1153 O ASP A 75 -13.206 6.083 -8.172 1.00 10.00 O ATOM 1154 CB ASP A 75 -10.912 5.937 -9.726 1.00 10.00 C ATOM 1155 CG ASP A 75 -9.777 6.226 -10.701 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -9.719 7.380 -11.176 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -9.021 5.276 -10.997 1.00 10.00 O ATOM 0 H ASP A 75 -9.659 5.614 -7.604 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.723 7.911 -8.943 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -10.795 4.927 -9.334 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -11.859 5.961 -10.266 1.00 10.00 H new ATOM 1162 N SER A 76 -12.672 7.997 -7.138 1.00 10.00 N ATOM 1163 CA SER A 76 -13.990 8.211 -6.565 1.00 10.00 C ATOM 1164 C SER A 76 -14.183 9.702 -6.294 1.00 10.00 C ATOM 1165 O SER A 76 -13.341 10.318 -5.644 1.00 10.00 O ATOM 1166 CB SER A 76 -14.147 7.389 -5.281 1.00 10.00 C ATOM 1167 OG SER A 76 -15.497 7.383 -4.860 1.00 10.00 O ATOM 0 H SER A 76 -11.987 8.703 -6.868 1.00 10.00 H new ATOM 0 HA SER A 76 -14.756 7.881 -7.266 1.00 10.00 H new ATOM 0 HB2 SER A 76 -13.809 6.367 -5.452 1.00 10.00 H new ATOM 0 HB3 SER A 76 -13.517 7.806 -4.496 1.00 10.00 H new ATOM 0 HG SER A 76 -15.582 6.853 -4.040 1.00 10.00 H new ATOM 1173 N ILE A 77 -15.280 10.276 -6.798 1.00 10.00 N ATOM 1174 CA ILE A 77 -15.635 11.678 -6.639 1.00 10.00 C ATOM 1175 C ILE A 77 -17.085 11.776 -6.153 1.00 10.00 C ATOM 1176 O ILE A 77 -18.012 11.876 -6.954 1.00 10.00 O ATOM 1177 CB ILE A 77 -15.406 12.444 -7.955 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -15.887 11.668 -9.199 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -13.919 12.800 -8.098 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -16.154 12.597 -10.388 1.00 10.00 C ATOM 0 H ILE A 77 -15.964 9.754 -7.345 1.00 10.00 H new ATOM 0 HA ILE A 77 -14.994 12.144 -5.890 1.00 10.00 H new ATOM 0 HB ILE A 77 -16.006 13.352 -7.902 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -15.136 10.929 -9.478 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -16.798 11.121 -8.955 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -13.763 13.342 -9.031 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -13.612 13.425 -7.259 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -13.325 11.886 -8.105 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -16.490 12.008 -11.241 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -16.925 13.320 -10.119 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -15.237 13.125 -10.650 1.00 10.00 H new ATOM 1192 N GLU A 78 -17.273 11.749 -4.833 1.00 10.00 N ATOM 1193 CA GLU A 78 -18.558 11.955 -4.178 1.00 10.00 C ATOM 1194 C GLU A 78 -18.514 13.322 -3.489 1.00 10.00 C ATOM 1195 O GLU A 78 -17.465 13.716 -2.982 1.00 10.00 O ATOM 1196 CB GLU A 78 -18.818 10.802 -3.201 1.00 10.00 C ATOM 1197 CG GLU A 78 -20.276 10.767 -2.719 1.00 10.00 C ATOM 1198 CD GLU A 78 -20.570 9.558 -1.836 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -19.610 8.827 -1.513 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -21.763 9.386 -1.504 1.00 10.00 O ATOM 0 H GLU A 78 -16.512 11.578 -4.175 1.00 10.00 H new ATOM 0 HA GLU A 78 -19.384 11.956 -4.889 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -18.574 9.856 -3.685 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -18.155 10.900 -2.341 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -20.494 11.680 -2.164 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -20.941 10.752 -3.583 1.00 10.00 H new ATOM 1207 N GLY A 79 -19.625 14.064 -3.533 1.00 10.00 N ATOM 1208 CA GLY A 79 -19.710 15.433 -3.040 1.00 10.00 C ATOM 1209 C GLY A 79 -20.392 15.499 -1.674 1.00 10.00 C ATOM 1210 O GLY A 79 -20.129 14.676 -0.800 1.00 10.00 O ATOM 0 H GLY A 79 -20.504 13.719 -3.920 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -18.708 15.857 -2.968 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -20.264 16.043 -3.753 1.00 10.00 H new ATOM 1214 N ARG A 80 -21.279 16.482 -1.499 1.00 10.00 N ATOM 1215 CA ARG A 80 -22.177 16.620 -0.371 1.00 10.00 C ATOM 1216 C ARG A 80 -23.484 17.158 -0.965 1.00 10.00 C ATOM 1217 O ARG A 80 -24.486 17.235 -0.214 1.00 10.00 O ATOM 1218 CB ARG A 80 -21.553 17.530 0.715 1.00 10.00 C ATOM 1219 CG ARG A 80 -21.382 19.021 0.336 1.00 10.00 C ATOM 1220 CD ARG A 80 -22.349 19.962 1.083 1.00 10.00 C ATOM 1221 NE ARG A 80 -23.704 19.414 1.012 1.00 10.00 N ATOM 1222 CZ ARG A 80 -24.905 19.985 1.095 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -25.050 21.227 1.566 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -25.942 19.246 0.697 1.00 10.00 N ATOM 1225 OXT ARG A 80 -23.426 17.581 -2.141 1.00 10.00 O ATOM 0 H ARG A 80 -21.388 17.235 -2.178 1.00 10.00 H new ATOM 0 HA ARG A 80 -22.367 15.680 0.147 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -22.173 17.472 1.609 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -20.575 17.128 0.979 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -20.357 19.326 0.546 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -21.534 19.134 -0.737 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -22.041 20.069 2.123 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -22.323 20.957 0.639 1.00 10.00 H new ATOM 0 HE ARG A 80 -23.735 18.404 0.873 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -24.232 21.756 1.870 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -25.978 21.646 1.621 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -25.790 18.298 0.353 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -26.886 19.629 0.737 1.00 10.00 H new TER 1239 ARG A 80