USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 456 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 12 ASN : amide:sc= 0.739 X(o=1.5,f=1) USER MOD Set 1.2: A 17 THR OG1 : rot -130:sc= 0.731 USER MOD Single : A 1 MET CE :methyl -168:sc=-0.00161 (180deg=-0.189) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc=-0.00556 (180deg=-0.169) USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.28) USER MOD Single : A 14 SER OG : rot 14:sc= 0.622 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.663 X(o=-0.66,f=-0.24) USER MOD Single : A 23 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 123:sc= 0.359 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00183 USER MOD Single : A 34 ASN : amide:sc= 1.56 K(o=1.6,f=-5.9!) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.0294 (180deg=-0.329) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.00054) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.027 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.114 17.542 -4.054 1.00 0.00 N ATOM 2 CA MET A 1 -1.710 18.789 -4.568 1.00 0.00 C ATOM 3 C MET A 1 -0.680 19.558 -5.393 1.00 0.00 C ATOM 4 O MET A 1 -0.801 19.637 -6.610 1.00 0.00 O ATOM 5 CB MET A 1 -2.240 19.645 -3.408 1.00 0.00 C ATOM 6 CG MET A 1 -2.943 20.894 -3.955 1.00 0.00 C ATOM 7 SD MET A 1 -3.528 22.034 -2.673 1.00 0.00 S ATOM 8 CE MET A 1 -4.831 21.016 -1.936 1.00 0.00 C ATOM 0 H1 MET A 1 -1.821 17.024 -3.494 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.804 16.951 -4.852 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.296 17.770 -3.454 1.00 0.00 H new ATOM 0 HA MET A 1 -2.552 18.542 -5.215 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.935 19.062 -2.803 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.417 19.937 -2.756 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.256 21.426 -4.613 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.792 20.583 -4.564 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.441 21.630 -1.274 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.458 20.600 -2.725 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.380 20.204 -1.365 1.00 0.00 H new ATOM 20 N ALA A 2 0.335 20.120 -4.722 1.00 0.00 N ATOM 21 CA ALA A 2 1.382 20.874 -5.388 1.00 0.00 C ATOM 22 C ALA A 2 2.579 21.007 -4.447 1.00 0.00 C ATOM 23 O ALA A 2 3.477 20.173 -4.475 1.00 0.00 O ATOM 24 CB ALA A 2 0.837 22.249 -5.800 1.00 0.00 C ATOM 0 H ALA A 2 0.445 20.060 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 2 1.710 20.356 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.622 22.816 -6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.005 22.118 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.507 22.790 -4.913 1.00 0.00 H new ATOM 30 N THR A 3 2.574 22.062 -3.614 1.00 0.00 N ATOM 31 CA THR A 3 3.628 22.323 -2.631 1.00 0.00 C ATOM 32 C THR A 3 4.831 22.919 -3.361 1.00 0.00 C ATOM 33 O THR A 3 4.778 23.075 -4.576 1.00 0.00 O ATOM 34 CB THR A 3 3.984 21.021 -1.873 1.00 0.00 C ATOM 35 OG1 THR A 3 2.803 20.280 -1.630 1.00 0.00 O ATOM 36 CG2 THR A 3 4.644 21.338 -0.526 1.00 0.00 C ATOM 0 H THR A 3 1.830 22.760 -3.608 1.00 0.00 H new ATOM 0 HA THR A 3 3.290 23.038 -1.882 1.00 0.00 H new ATOM 0 HB THR A 3 4.678 20.447 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.027 19.455 -1.152 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.885 20.408 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.558 21.908 -0.694 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.959 21.924 0.086 1.00 0.00 H new ATOM 44 N ILE A 4 5.910 23.254 -2.628 1.00 0.00 N ATOM 45 CA ILE A 4 7.124 23.813 -3.233 1.00 0.00 C ATOM 46 C ILE A 4 7.444 23.072 -4.534 1.00 0.00 C ATOM 47 O ILE A 4 7.894 23.681 -5.495 1.00 0.00 O ATOM 48 CB ILE A 4 8.292 23.723 -2.221 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.446 25.079 -1.516 1.00 0.00 C ATOM 50 CG2 ILE A 4 9.607 23.366 -2.931 1.00 0.00 C ATOM 51 CD1 ILE A 4 9.465 24.977 -0.379 1.00 0.00 C ATOM 0 H ILE A 4 5.961 23.145 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 4 6.969 24.863 -3.479 1.00 0.00 H new ATOM 0 HB ILE A 4 8.069 22.940 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.767 25.835 -2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.483 25.402 -1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.412 23.309 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.501 22.403 -3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.842 24.133 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.562 25.946 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.128 24.237 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.432 24.676 -0.783 1.00 0.00 H new ATOM 63 N LYS A 5 7.193 21.758 -4.552 1.00 0.00 N ATOM 64 CA LYS A 5 7.426 20.928 -5.720 1.00 0.00 C ATOM 65 C LYS A 5 6.871 21.586 -6.986 1.00 0.00 C ATOM 66 O LYS A 5 7.636 21.871 -7.907 1.00 0.00 O ATOM 67 CB LYS A 5 6.761 19.567 -5.499 1.00 0.00 C ATOM 68 CG LYS A 5 7.572 18.730 -4.501 1.00 0.00 C ATOM 69 CD LYS A 5 8.754 18.060 -5.214 1.00 0.00 C ATOM 70 CE LYS A 5 9.515 17.157 -4.236 1.00 0.00 C ATOM 71 NZ LYS A 5 8.720 15.968 -3.876 1.00 0.00 N ATOM 0 H LYS A 5 6.822 21.247 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 5 8.500 20.802 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.747 19.707 -5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.681 19.036 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.937 19.365 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.934 17.972 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.394 17.473 -6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.424 18.820 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.458 16.845 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.761 17.719 -3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.334 15.267 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.958 16.244 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.308 15.553 -4.736 1.00 0.00 H new ATOM 85 N ASP A 6 5.545 21.813 -7.049 1.00 0.00 N ATOM 86 CA ASP A 6 4.924 22.365 -8.255 1.00 0.00 C ATOM 87 C ASP A 6 4.863 23.889 -8.203 1.00 0.00 C ATOM 88 O ASP A 6 4.962 24.540 -9.240 1.00 0.00 O ATOM 89 CB ASP A 6 3.534 21.758 -8.436 1.00 0.00 C ATOM 90 CG ASP A 6 3.636 20.323 -8.945 1.00 0.00 C ATOM 91 OD1 ASP A 6 4.213 20.147 -10.045 1.00 0.00 O ATOM 92 OD2 ASP A 6 3.141 19.430 -8.227 1.00 0.00 O ATOM 0 H ASP A 6 4.895 21.624 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 6 5.537 22.103 -9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.997 21.776 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.958 22.359 -9.140 1.00 0.00 H new ATOM 97 N VAL A 7 4.708 24.464 -7.011 1.00 0.00 N ATOM 98 CA VAL A 7 4.655 25.910 -6.855 1.00 0.00 C ATOM 99 C VAL A 7 5.943 26.528 -7.410 1.00 0.00 C ATOM 100 O VAL A 7 5.897 27.542 -8.106 1.00 0.00 O ATOM 101 CB VAL A 7 4.462 26.259 -5.369 1.00 0.00 C ATOM 102 CG1 VAL A 7 4.608 27.768 -5.160 1.00 0.00 C ATOM 103 CG2 VAL A 7 3.065 25.822 -4.915 1.00 0.00 C ATOM 0 H VAL A 7 4.617 23.944 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 7 3.812 26.318 -7.412 1.00 0.00 H new ATOM 0 HB VAL A 7 5.220 25.739 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.470 28.004 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.602 28.084 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.856 28.292 -5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.930 26.070 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.311 26.339 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.958 24.746 -5.051 1.00 0.00 H new ATOM 113 N ALA A 8 7.092 25.907 -7.105 1.00 0.00 N ATOM 114 CA ALA A 8 8.378 26.394 -7.575 1.00 0.00 C ATOM 115 C ALA A 8 8.449 26.322 -9.095 1.00 0.00 C ATOM 116 O ALA A 8 8.930 27.250 -9.725 1.00 0.00 O ATOM 117 CB ALA A 8 9.501 25.568 -6.960 1.00 0.00 C ATOM 0 H ALA A 8 7.147 25.065 -6.533 1.00 0.00 H new ATOM 0 HA ALA A 8 8.492 27.434 -7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.462 25.938 -7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.461 25.650 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.385 24.523 -7.249 1.00 0.00 H new ATOM 123 N LYS A 9 7.968 25.220 -9.683 1.00 0.00 N ATOM 124 CA LYS A 9 7.984 25.061 -11.133 1.00 0.00 C ATOM 125 C LYS A 9 7.146 26.159 -11.779 1.00 0.00 C ATOM 126 O LYS A 9 7.588 26.797 -12.733 1.00 0.00 O ATOM 127 CB LYS A 9 7.422 23.680 -11.514 1.00 0.00 C ATOM 128 CG LYS A 9 8.421 22.570 -11.161 1.00 0.00 C ATOM 129 CD LYS A 9 7.706 21.209 -11.056 1.00 0.00 C ATOM 130 CE LYS A 9 6.819 20.951 -12.281 1.00 0.00 C ATOM 131 NZ LYS A 9 6.009 19.734 -12.092 1.00 0.00 N ATOM 0 H LYS A 9 7.566 24.432 -9.176 1.00 0.00 H new ATOM 0 HA LYS A 9 9.011 25.137 -11.491 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.481 23.508 -10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.203 23.653 -12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.200 22.520 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.912 22.803 -10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.445 20.413 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.098 21.184 -10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.165 21.807 -12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.440 20.846 -13.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.467 19.540 -12.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.635 18.929 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.353 19.874 -11.297 1.00 0.00 H new ATOM 145 N ARG A 10 5.934 26.374 -11.251 1.00 0.00 N ATOM 146 CA ARG A 10 5.036 27.396 -11.765 1.00 0.00 C ATOM 147 C ARG A 10 5.748 28.750 -11.761 1.00 0.00 C ATOM 148 O ARG A 10 5.598 29.536 -12.695 1.00 0.00 O ATOM 149 CB ARG A 10 3.766 27.439 -10.895 1.00 0.00 C ATOM 150 CG ARG A 10 2.519 27.636 -11.770 1.00 0.00 C ATOM 151 CD ARG A 10 2.610 28.955 -12.540 1.00 0.00 C ATOM 152 NE ARG A 10 1.312 29.312 -13.127 1.00 0.00 N ATOM 153 CZ ARG A 10 1.147 30.360 -13.953 1.00 0.00 C ATOM 154 NH1 ARG A 10 2.190 31.143 -14.261 1.00 0.00 N ATOM 155 NH2 ARG A 10 -0.063 30.622 -14.467 1.00 0.00 N ATOM 0 H ARG A 10 5.558 25.846 -10.463 1.00 0.00 H new ATOM 0 HA ARG A 10 4.749 27.162 -12.790 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.676 26.513 -10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.841 28.251 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.423 26.805 -12.469 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.625 27.633 -11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.941 29.749 -11.871 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.358 28.869 -13.328 1.00 0.00 H new ATOM 0 HE ARG A 10 0.500 28.739 -12.898 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.110 30.944 -13.869 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.064 31.938 -14.888 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.857 30.027 -14.231 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.190 31.417 -15.094 1.00 0.00 H new ATOM 169 N ALA A 11 6.524 29.018 -10.704 1.00 0.00 N ATOM 170 CA ALA A 11 7.255 30.266 -10.583 1.00 0.00 C ATOM 171 C ALA A 11 8.400 30.313 -11.597 1.00 0.00 C ATOM 172 O ALA A 11 8.471 31.244 -12.397 1.00 0.00 O ATOM 173 CB ALA A 11 7.786 30.410 -9.155 1.00 0.00 C ATOM 0 H ALA A 11 6.656 28.378 -9.921 1.00 0.00 H new ATOM 0 HA ALA A 11 6.585 31.099 -10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.335 31.347 -9.064 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.951 30.409 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.451 29.576 -8.928 1.00 0.00 H new ATOM 179 N ASN A 12 9.302 29.313 -11.560 1.00 0.00 N ATOM 180 CA ASN A 12 10.457 29.285 -12.447 1.00 0.00 C ATOM 181 C ASN A 12 11.192 27.944 -12.357 1.00 0.00 C ATOM 182 O ASN A 12 11.580 27.523 -11.272 1.00 0.00 O ATOM 183 CB ASN A 12 11.405 30.408 -12.033 1.00 0.00 C ATOM 184 CG ASN A 12 12.645 30.440 -12.918 1.00 0.00 C ATOM 185 OD1 ASN A 12 12.538 30.594 -14.131 1.00 0.00 O ATOM 186 ND2 ASN A 12 13.822 30.296 -12.308 1.00 0.00 N ATOM 0 H ASN A 12 9.244 28.519 -10.922 1.00 0.00 H new ATOM 0 HA ASN A 12 10.120 29.417 -13.475 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.887 31.365 -12.094 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.701 30.272 -10.993 1.00 0.00 H new ATOM 0 HD21 ASN A 12 14.684 30.311 -12.853 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.860 30.171 -11.296 1.00 0.00 H new ATOM 193 N VAL A 13 11.396 27.298 -13.516 1.00 0.00 N ATOM 194 CA VAL A 13 12.147 26.041 -13.632 1.00 0.00 C ATOM 195 C VAL A 13 11.635 24.976 -12.646 1.00 0.00 C ATOM 196 O VAL A 13 10.737 24.212 -12.988 1.00 0.00 O ATOM 197 CB VAL A 13 13.655 26.317 -13.445 1.00 0.00 C ATOM 198 CG1 VAL A 13 14.454 25.020 -13.622 1.00 0.00 C ATOM 199 CG2 VAL A 13 14.125 27.328 -14.497 1.00 0.00 C ATOM 0 H VAL A 13 11.039 27.639 -14.409 1.00 0.00 H new ATOM 0 HA VAL A 13 11.990 25.634 -14.631 1.00 0.00 H new ATOM 0 HB VAL A 13 13.817 26.713 -12.443 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.516 25.226 -13.488 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.130 24.289 -12.881 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.285 24.622 -14.623 1.00 0.00 H new ATOM 0 HG21 VAL A 13 15.189 27.523 -14.365 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.951 26.923 -15.494 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.569 28.258 -14.381 1.00 0.00 H new ATOM 209 N SER A 14 12.218 24.911 -11.435 1.00 0.00 N ATOM 210 CA SER A 14 11.851 23.910 -10.439 1.00 0.00 C ATOM 211 C SER A 14 12.236 24.405 -9.039 1.00 0.00 C ATOM 212 O SER A 14 12.594 25.566 -8.872 1.00 0.00 O ATOM 213 CB SER A 14 12.563 22.585 -10.769 1.00 0.00 C ATOM 214 OG SER A 14 11.951 21.977 -11.887 1.00 0.00 O ATOM 0 H SER A 14 12.951 25.550 -11.129 1.00 0.00 H new ATOM 0 HA SER A 14 10.774 23.744 -10.457 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.617 22.770 -10.976 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.520 21.915 -9.910 1.00 0.00 H new ATOM 0 HG SER A 14 11.372 22.627 -12.337 1.00 0.00 H new ATOM 220 N THR A 15 12.153 23.508 -8.037 1.00 0.00 N ATOM 221 CA THR A 15 12.481 23.827 -6.645 1.00 0.00 C ATOM 222 C THR A 15 13.844 24.517 -6.544 1.00 0.00 C ATOM 223 O THR A 15 14.081 25.278 -5.609 1.00 0.00 O ATOM 224 CB THR A 15 12.472 22.539 -5.815 1.00 0.00 C ATOM 225 OG1 THR A 15 13.434 21.641 -6.325 1.00 0.00 O ATOM 226 CG2 THR A 15 11.086 21.888 -5.874 1.00 0.00 C ATOM 0 H THR A 15 11.856 22.542 -8.176 1.00 0.00 H new ATOM 0 HA THR A 15 11.731 24.516 -6.257 1.00 0.00 H new ATOM 0 HB THR A 15 12.711 22.782 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.428 20.818 -5.792 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.088 20.973 -5.281 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.343 22.578 -5.474 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.840 21.650 -6.909 1.00 0.00 H new ATOM 234 N THR A 16 14.734 24.253 -7.505 1.00 0.00 N ATOM 235 CA THR A 16 16.053 24.860 -7.532 1.00 0.00 C ATOM 236 C THR A 16 15.942 26.380 -7.369 1.00 0.00 C ATOM 237 O THR A 16 16.705 26.975 -6.614 1.00 0.00 O ATOM 238 CB THR A 16 16.736 24.509 -8.859 1.00 0.00 C ATOM 239 OG1 THR A 16 15.843 24.744 -9.929 1.00 0.00 O ATOM 240 CG2 THR A 16 17.145 23.032 -8.855 1.00 0.00 C ATOM 0 H THR A 16 14.554 23.614 -8.280 1.00 0.00 H new ATOM 0 HA THR A 16 16.650 24.475 -6.705 1.00 0.00 H new ATOM 0 HB THR A 16 17.623 25.131 -8.981 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.282 24.521 -10.776 1.00 0.00 H new ATOM 0 HG21 THR A 16 17.630 22.786 -9.800 1.00 0.00 H new ATOM 0 HG22 THR A 16 17.837 22.848 -8.033 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.259 22.409 -8.729 1.00 0.00 H new ATOM 248 N THR A 17 14.991 27.007 -8.078 1.00 0.00 N ATOM 249 CA THR A 17 14.816 28.453 -8.022 1.00 0.00 C ATOM 250 C THR A 17 14.506 28.903 -6.589 1.00 0.00 C ATOM 251 O THR A 17 14.976 29.955 -6.159 1.00 0.00 O ATOM 252 CB THR A 17 13.710 28.882 -9.008 1.00 0.00 C ATOM 253 OG1 THR A 17 13.927 30.221 -9.398 1.00 0.00 O ATOM 254 CG2 THR A 17 12.321 28.763 -8.367 1.00 0.00 C ATOM 0 H THR A 17 14.335 26.529 -8.695 1.00 0.00 H new ATOM 0 HA THR A 17 15.744 28.941 -8.320 1.00 0.00 H new ATOM 0 HB THR A 17 13.748 28.223 -9.875 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.097 30.731 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.561 29.072 -9.085 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.143 27.728 -8.073 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.270 29.404 -7.487 1.00 0.00 H new ATOM 262 N VAL A 18 13.720 28.108 -5.849 1.00 0.00 N ATOM 263 CA VAL A 18 13.370 28.443 -4.478 1.00 0.00 C ATOM 264 C VAL A 18 14.617 28.336 -3.607 1.00 0.00 C ATOM 265 O VAL A 18 14.888 29.224 -2.802 1.00 0.00 O ATOM 266 CB VAL A 18 12.255 27.509 -3.980 1.00 0.00 C ATOM 267 CG1 VAL A 18 12.035 27.714 -2.479 1.00 0.00 C ATOM 268 CG2 VAL A 18 10.956 27.820 -4.726 1.00 0.00 C ATOM 0 H VAL A 18 13.319 27.232 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 18 12.995 29.465 -4.424 1.00 0.00 H new ATOM 0 HB VAL A 18 12.548 26.475 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.244 27.049 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.957 27.491 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.747 28.749 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.166 27.158 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.670 28.856 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.105 27.669 -5.795 1.00 0.00 H new ATOM 278 N SER A 19 15.380 27.252 -3.775 1.00 0.00 N ATOM 279 CA SER A 19 16.604 27.046 -3.018 1.00 0.00 C ATOM 280 C SER A 19 17.555 28.225 -3.236 1.00 0.00 C ATOM 281 O SER A 19 18.128 28.741 -2.277 1.00 0.00 O ATOM 282 CB SER A 19 17.256 25.735 -3.456 1.00 0.00 C ATOM 283 OG SER A 19 16.323 24.681 -3.339 1.00 0.00 O ATOM 0 H SER A 19 15.164 26.504 -4.434 1.00 0.00 H new ATOM 0 HA SER A 19 16.373 26.985 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.602 25.815 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.132 25.529 -2.841 1.00 0.00 H new ATOM 0 HG SER A 19 16.741 23.841 -3.622 1.00 0.00 H new ATOM 289 N HIS A 20 17.719 28.646 -4.497 1.00 0.00 N ATOM 290 CA HIS A 20 18.601 29.756 -4.841 1.00 0.00 C ATOM 291 C HIS A 20 18.186 31.016 -4.090 1.00 0.00 C ATOM 292 O HIS A 20 19.028 31.712 -3.529 1.00 0.00 O ATOM 293 CB HIS A 20 18.540 30.011 -6.352 1.00 0.00 C ATOM 294 CG HIS A 20 18.956 28.823 -7.170 1.00 0.00 C ATOM 295 ND1 HIS A 20 18.784 28.763 -8.548 1.00 0.00 N ATOM 296 CD2 HIS A 20 19.537 27.628 -6.836 1.00 0.00 C ATOM 297 CE1 HIS A 20 19.261 27.567 -8.948 1.00 0.00 C ATOM 298 NE2 HIS A 20 19.734 26.822 -7.949 1.00 0.00 N ATOM 0 H HIS A 20 17.246 28.227 -5.298 1.00 0.00 H new ATOM 0 HA HIS A 20 19.621 29.498 -4.555 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.523 30.294 -6.625 1.00 0.00 H new ATOM 0 HB3 HIS A 20 19.183 30.856 -6.597 1.00 0.00 H new ATOM 0 HD2 HIS A 20 19.809 27.347 -5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 20 19.260 27.244 -9.978 1.00 0.00 H new ATOM 0 HE2 HIS A 20 20.141 25.888 -7.992 1.00 0.00 H new ATOM 306 N VAL A 21 16.884 31.305 -4.091 1.00 0.00 N ATOM 307 CA VAL A 21 16.347 32.497 -3.450 1.00 0.00 C ATOM 308 C VAL A 21 16.545 32.442 -1.932 1.00 0.00 C ATOM 309 O VAL A 21 17.067 33.387 -1.347 1.00 0.00 O ATOM 310 CB VAL A 21 14.858 32.632 -3.813 1.00 0.00 C ATOM 311 CG1 VAL A 21 14.171 33.638 -2.885 1.00 0.00 C ATOM 312 CG2 VAL A 21 14.729 33.114 -5.258 1.00 0.00 C ATOM 0 H VAL A 21 16.177 30.719 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 21 16.884 33.374 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 21 14.380 31.659 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.118 33.722 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.255 33.297 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.650 34.612 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.675 33.210 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.218 34.082 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.202 32.394 -5.925 1.00 0.00 H new ATOM 322 N ILE A 22 16.121 31.342 -1.294 1.00 0.00 N ATOM 323 CA ILE A 22 16.220 31.205 0.156 1.00 0.00 C ATOM 324 C ILE A 22 17.680 31.312 0.603 1.00 0.00 C ATOM 325 O ILE A 22 18.000 32.125 1.469 1.00 0.00 O ATOM 326 CB ILE A 22 15.602 29.866 0.596 1.00 0.00 C ATOM 327 CG1 ILE A 22 14.083 29.901 0.348 1.00 0.00 C ATOM 328 CG2 ILE A 22 15.873 29.646 2.092 1.00 0.00 C ATOM 329 CD1 ILE A 22 13.475 28.517 0.595 1.00 0.00 C ATOM 0 H ILE A 22 15.707 30.537 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 22 15.665 32.014 0.632 1.00 0.00 H new ATOM 0 HB ILE A 22 16.046 29.052 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 22 13.616 30.634 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 22 13.881 30.218 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 22 15.436 28.698 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 22 16.949 29.625 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 22 15.427 30.458 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.400 28.555 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.930 27.794 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.661 28.217 1.626 1.00 0.00 H new ATOM 341 N ASN A 23 18.564 30.491 0.024 1.00 0.00 N ATOM 342 CA ASN A 23 19.976 30.498 0.394 1.00 0.00 C ATOM 343 C ASN A 23 20.652 31.780 -0.104 1.00 0.00 C ATOM 344 O ASN A 23 21.717 32.144 0.392 1.00 0.00 O ATOM 345 CB ASN A 23 20.670 29.262 -0.185 1.00 0.00 C ATOM 346 CG ASN A 23 20.201 27.990 0.517 1.00 0.00 C ATOM 347 OD1 ASN A 23 20.786 27.580 1.515 1.00 0.00 O ATOM 348 ND2 ASN A 23 19.144 27.367 -0.004 1.00 0.00 N ATOM 0 H ASN A 23 18.323 29.816 -0.701 1.00 0.00 H new ATOM 0 HA ASN A 23 20.059 30.470 1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 23 20.461 29.190 -1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 23 21.750 29.363 -0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.791 26.513 0.429 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.688 27.744 -0.835 1.00 0.00 H new ATOM 355 N LYS A 24 20.031 32.460 -1.078 1.00 0.00 N ATOM 356 CA LYS A 24 20.556 33.699 -1.636 1.00 0.00 C ATOM 357 C LYS A 24 21.927 33.446 -2.271 1.00 0.00 C ATOM 358 O LYS A 24 22.869 34.208 -2.056 1.00 0.00 O ATOM 359 CB LYS A 24 20.627 34.768 -0.532 1.00 0.00 C ATOM 360 CG LYS A 24 20.640 36.166 -1.155 1.00 0.00 C ATOM 361 CD LYS A 24 20.738 37.218 -0.050 1.00 0.00 C ATOM 362 CE LYS A 24 20.781 38.617 -0.669 1.00 0.00 C ATOM 363 NZ LYS A 24 20.889 39.655 0.372 1.00 0.00 N ATOM 0 H LYS A 24 19.150 32.160 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 24 19.893 34.065 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 24 19.773 34.668 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.524 34.621 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.483 36.263 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.734 36.323 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 24 19.884 37.134 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.633 37.048 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.629 38.691 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.881 38.784 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.916 40.594 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.067 39.597 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 21.760 39.507 0.920 1.00 0.00 H new ATOM 377 N THR A 25 22.029 32.367 -3.060 1.00 0.00 N ATOM 378 CA THR A 25 23.269 32.010 -3.734 1.00 0.00 C ATOM 379 C THR A 25 23.241 32.551 -5.160 1.00 0.00 C ATOM 380 O THR A 25 23.828 33.597 -5.440 1.00 0.00 O ATOM 381 CB THR A 25 23.428 30.483 -3.725 1.00 0.00 C ATOM 382 OG1 THR A 25 22.209 29.875 -4.108 1.00 0.00 O ATOM 383 CG2 THR A 25 23.810 30.016 -2.320 1.00 0.00 C ATOM 0 H THR A 25 21.256 31.727 -3.243 1.00 0.00 H new ATOM 0 HA THR A 25 24.122 32.449 -3.216 1.00 0.00 H new ATOM 0 HB THR A 25 24.211 30.199 -4.428 1.00 0.00 H new ATOM 0 HG1 THR A 25 22.361 29.301 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.923 28.932 -2.315 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.751 30.480 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 25 23.029 30.303 -1.616 1.00 0.00 H new ATOM 391 N ARG A 26 22.555 31.841 -6.062 1.00 0.00 N ATOM 392 CA ARG A 26 22.438 32.259 -7.445 1.00 0.00 C ATOM 393 C ARG A 26 21.382 33.355 -7.544 1.00 0.00 C ATOM 394 O ARG A 26 20.185 33.070 -7.542 1.00 0.00 O ATOM 395 CB ARG A 26 22.070 31.052 -8.317 1.00 0.00 C ATOM 396 CG ARG A 26 21.946 31.486 -9.781 1.00 0.00 C ATOM 397 CD ARG A 26 21.756 30.257 -10.669 1.00 0.00 C ATOM 398 NE ARG A 26 21.539 30.654 -12.066 1.00 0.00 N ATOM 399 CZ ARG A 26 21.402 29.766 -13.068 1.00 0.00 C ATOM 400 NH1 ARG A 26 21.472 28.453 -12.818 1.00 0.00 N ATOM 401 NH2 ARG A 26 21.195 30.199 -14.317 1.00 0.00 N ATOM 0 H ARG A 26 22.072 30.969 -5.847 1.00 0.00 H new ATOM 0 HA ARG A 26 23.388 32.657 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 26 22.831 30.277 -8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.130 30.619 -7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 26 21.102 32.165 -9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.839 32.032 -10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 26 22.633 29.614 -10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 26 20.905 29.675 -10.315 1.00 0.00 H new ATOM 0 HE ARG A 26 21.490 31.649 -12.287 1.00 0.00 H new ATOM 0 HH11 ARG A 26 21.630 28.123 -11.866 1.00 0.00 H new ATOM 0 HH12 ARG A 26 21.368 27.783 -13.580 1.00 0.00 H new ATOM 0 HH21 ARG A 26 21.141 31.200 -14.508 1.00 0.00 H new ATOM 0 HH22 ARG A 26 21.091 29.528 -15.079 1.00 0.00 H new ATOM 415 N PHE A 27 21.830 34.609 -7.627 1.00 0.00 N ATOM 416 CA PHE A 27 20.931 35.746 -7.726 1.00 0.00 C ATOM 417 C PHE A 27 20.104 35.647 -9.006 1.00 0.00 C ATOM 418 O PHE A 27 20.602 35.191 -10.038 1.00 0.00 O ATOM 419 CB PHE A 27 21.748 37.040 -7.707 1.00 0.00 C ATOM 420 CG PHE A 27 20.896 38.289 -7.811 1.00 0.00 C ATOM 421 CD1 PHE A 27 20.208 38.768 -6.681 1.00 0.00 C ATOM 422 CD2 PHE A 27 20.787 38.968 -9.039 1.00 0.00 C ATOM 423 CE1 PHE A 27 19.414 39.924 -6.779 1.00 0.00 C ATOM 424 CE2 PHE A 27 19.994 40.124 -9.133 1.00 0.00 C ATOM 425 CZ PHE A 27 19.308 40.602 -8.005 1.00 0.00 C ATOM 0 H PHE A 27 22.819 34.858 -7.627 1.00 0.00 H new ATOM 0 HA PHE A 27 20.247 35.748 -6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 27 22.329 37.081 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 27 22.460 37.024 -8.533 1.00 0.00 H new ATOM 0 HD1 PHE A 27 20.290 38.248 -5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 27 21.312 38.601 -9.908 1.00 0.00 H new ATOM 0 HE1 PHE A 27 18.885 40.291 -5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 27 19.912 40.646 -10.075 1.00 0.00 H new ATOM 0 HZ PHE A 27 18.699 41.491 -8.080 1.00 0.00 H new ATOM 435 N VAL A 28 18.842 36.080 -8.931 1.00 0.00 N ATOM 436 CA VAL A 28 17.929 36.063 -10.067 1.00 0.00 C ATOM 437 C VAL A 28 17.272 37.431 -10.194 1.00 0.00 C ATOM 438 O VAL A 28 17.413 38.276 -9.311 1.00 0.00 O ATOM 439 CB VAL A 28 16.865 34.967 -9.876 1.00 0.00 C ATOM 440 CG1 VAL A 28 17.486 33.590 -10.130 1.00 0.00 C ATOM 441 CG2 VAL A 28 16.298 35.017 -8.451 1.00 0.00 C ATOM 0 H VAL A 28 18.428 36.452 -8.076 1.00 0.00 H new ATOM 0 HA VAL A 28 18.482 35.842 -10.980 1.00 0.00 H new ATOM 0 HB VAL A 28 16.056 35.139 -10.586 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.728 32.818 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 28 17.869 33.546 -11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.303 33.424 -9.428 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.547 34.236 -8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 28 17.103 34.860 -7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.841 35.991 -8.275 1.00 0.00 H new ATOM 451 N ALA A 29 16.549 37.646 -11.298 1.00 0.00 N ATOM 452 CA ALA A 29 15.869 38.904 -11.538 1.00 0.00 C ATOM 453 C ALA A 29 14.829 39.152 -10.446 1.00 0.00 C ATOM 454 O ALA A 29 14.375 38.213 -9.784 1.00 0.00 O ATOM 455 CB ALA A 29 15.205 38.863 -12.914 1.00 0.00 C ATOM 0 H ALA A 29 16.425 36.955 -12.038 1.00 0.00 H new ATOM 0 HA ALA A 29 16.590 39.721 -11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.692 39.807 -13.099 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.965 38.706 -13.680 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.484 38.046 -12.946 1.00 0.00 H new ATOM 461 N GLU A 30 14.452 40.426 -10.271 1.00 0.00 N ATOM 462 CA GLU A 30 13.456 40.821 -9.285 1.00 0.00 C ATOM 463 C GLU A 30 12.225 39.929 -9.405 1.00 0.00 C ATOM 464 O GLU A 30 11.691 39.469 -8.402 1.00 0.00 O ATOM 465 CB GLU A 30 13.068 42.286 -9.528 1.00 0.00 C ATOM 466 CG GLU A 30 14.146 43.221 -8.970 1.00 0.00 C ATOM 467 CD GLU A 30 14.106 43.259 -7.446 1.00 0.00 C ATOM 468 OE1 GLU A 30 12.979 43.331 -6.901 1.00 0.00 O ATOM 469 OE2 GLU A 30 15.201 43.214 -6.847 1.00 0.00 O ATOM 0 H GLU A 30 14.832 41.204 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 30 13.869 40.713 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.941 42.463 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.110 42.499 -9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.129 42.887 -9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.000 44.226 -9.366 1.00 0.00 H new ATOM 476 N GLU A 31 11.778 39.700 -10.643 1.00 0.00 N ATOM 477 CA GLU A 31 10.596 38.905 -10.915 1.00 0.00 C ATOM 478 C GLU A 31 10.674 37.536 -10.235 1.00 0.00 C ATOM 479 O GLU A 31 9.757 37.164 -9.512 1.00 0.00 O ATOM 480 CB GLU A 31 10.440 38.740 -12.429 1.00 0.00 C ATOM 481 CG GLU A 31 10.191 40.105 -13.079 1.00 0.00 C ATOM 482 CD GLU A 31 10.041 39.965 -14.588 1.00 0.00 C ATOM 483 OE1 GLU A 31 11.091 39.798 -15.248 1.00 0.00 O ATOM 484 OE2 GLU A 31 8.884 40.026 -15.053 1.00 0.00 O ATOM 0 H GLU A 31 12.232 40.065 -11.480 1.00 0.00 H new ATOM 0 HA GLU A 31 9.726 39.422 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.338 38.286 -12.849 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.611 38.067 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.291 40.554 -12.659 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.018 40.778 -12.852 1.00 0.00 H new ATOM 491 N THR A 32 11.755 36.783 -10.470 1.00 0.00 N ATOM 492 CA THR A 32 11.891 35.445 -9.918 1.00 0.00 C ATOM 493 C THR A 32 11.879 35.484 -8.388 1.00 0.00 C ATOM 494 O THR A 32 11.117 34.755 -7.757 1.00 0.00 O ATOM 495 CB THR A 32 13.189 34.826 -10.435 1.00 0.00 C ATOM 496 OG1 THR A 32 13.290 35.032 -11.828 1.00 0.00 O ATOM 497 CG2 THR A 32 13.206 33.325 -10.139 1.00 0.00 C ATOM 0 H THR A 32 12.545 37.085 -11.040 1.00 0.00 H new ATOM 0 HA THR A 32 11.046 34.834 -10.236 1.00 0.00 H new ATOM 0 HB THR A 32 14.033 35.300 -9.934 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.124 34.636 -12.158 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.134 32.891 -10.511 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.136 33.166 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.359 32.847 -10.632 1.00 0.00 H new ATOM 505 N ARG A 33 12.731 36.326 -7.798 1.00 0.00 N ATOM 506 CA ARG A 33 12.844 36.421 -6.349 1.00 0.00 C ATOM 507 C ARG A 33 11.498 36.796 -5.722 1.00 0.00 C ATOM 508 O ARG A 33 11.027 36.116 -4.808 1.00 0.00 O ATOM 509 CB ARG A 33 13.912 37.459 -5.995 1.00 0.00 C ATOM 510 CG ARG A 33 14.322 37.300 -4.523 1.00 0.00 C ATOM 511 CD ARG A 33 15.033 38.567 -4.048 1.00 0.00 C ATOM 512 NE ARG A 33 14.090 39.696 -3.995 1.00 0.00 N ATOM 513 CZ ARG A 33 14.289 40.868 -4.626 1.00 0.00 C ATOM 514 NH1 ARG A 33 15.499 41.201 -5.092 1.00 0.00 N ATOM 515 NH2 ARG A 33 13.264 41.706 -4.792 1.00 0.00 N ATOM 0 H ARG A 33 13.353 36.953 -8.308 1.00 0.00 H new ATOM 0 HA ARG A 33 13.137 35.451 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.782 37.334 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.528 38.464 -6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.442 37.113 -3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.979 36.438 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.466 38.400 -3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.856 38.804 -4.722 1.00 0.00 H new ATOM 0 HE ARG A 33 13.236 39.584 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.285 40.563 -4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.634 42.093 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.339 41.456 -4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.405 42.596 -5.269 1.00 0.00 H new ATOM 529 N ASN A 34 10.885 37.880 -6.206 1.00 0.00 N ATOM 530 CA ASN A 34 9.623 38.362 -5.665 1.00 0.00 C ATOM 531 C ASN A 34 8.521 37.325 -5.875 1.00 0.00 C ATOM 532 O ASN A 34 7.704 37.114 -4.985 1.00 0.00 O ATOM 533 CB ASN A 34 9.257 39.694 -6.330 1.00 0.00 C ATOM 534 CG ASN A 34 10.243 40.795 -5.933 1.00 0.00 C ATOM 535 OD1 ASN A 34 10.675 40.860 -4.783 1.00 0.00 O ATOM 536 ND2 ASN A 34 10.600 41.656 -6.886 1.00 0.00 N ATOM 0 H ASN A 34 11.250 38.440 -6.977 1.00 0.00 H new ATOM 0 HA ASN A 34 9.729 38.523 -4.592 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.256 39.575 -7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.247 39.984 -6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.257 42.407 -6.675 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.216 41.564 -7.827 1.00 0.00 H new ATOM 543 N ALA A 35 8.495 36.678 -7.048 1.00 0.00 N ATOM 544 CA ALA A 35 7.486 35.673 -7.351 1.00 0.00 C ATOM 545 C ALA A 35 7.581 34.514 -6.364 1.00 0.00 C ATOM 546 O ALA A 35 6.569 34.093 -5.819 1.00 0.00 O ATOM 547 CB ALA A 35 7.667 35.173 -8.785 1.00 0.00 C ATOM 0 H ALA A 35 9.166 36.838 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 35 6.497 36.122 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.910 34.421 -9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.563 36.008 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.658 34.733 -8.894 1.00 0.00 H new ATOM 553 N VAL A 36 8.796 34.001 -6.134 1.00 0.00 N ATOM 554 CA VAL A 36 9.005 32.894 -5.210 1.00 0.00 C ATOM 555 C VAL A 36 8.411 33.240 -3.843 1.00 0.00 C ATOM 556 O VAL A 36 7.622 32.470 -3.294 1.00 0.00 O ATOM 557 CB VAL A 36 10.509 32.592 -5.109 1.00 0.00 C ATOM 558 CG1 VAL A 36 10.803 31.787 -3.838 1.00 0.00 C ATOM 559 CG2 VAL A 36 10.945 31.779 -6.330 1.00 0.00 C ATOM 0 H VAL A 36 9.648 34.341 -6.580 1.00 0.00 H new ATOM 0 HA VAL A 36 8.500 32.001 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 36 11.058 33.533 -5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.871 31.579 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.495 32.361 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.252 30.847 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.011 31.563 -6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.387 30.843 -6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.748 32.351 -7.237 1.00 0.00 H new ATOM 569 N TRP A 37 8.786 34.398 -3.291 1.00 0.00 N ATOM 570 CA TRP A 37 8.279 34.822 -1.998 1.00 0.00 C ATOM 571 C TRP A 37 6.764 35.017 -2.067 1.00 0.00 C ATOM 572 O TRP A 37 6.056 34.678 -1.121 1.00 0.00 O ATOM 573 CB TRP A 37 8.982 36.110 -1.566 1.00 0.00 C ATOM 574 CG TRP A 37 10.441 35.948 -1.253 1.00 0.00 C ATOM 575 CD1 TRP A 37 11.440 36.677 -1.780 1.00 0.00 C ATOM 576 CD2 TRP A 37 11.092 35.001 -0.346 1.00 0.00 C ATOM 577 NE1 TRP A 37 12.660 36.273 -1.288 1.00 0.00 N ATOM 578 CE2 TRP A 37 12.505 35.231 -0.391 1.00 0.00 C ATOM 579 CE3 TRP A 37 10.643 33.967 0.515 1.00 0.00 C ATOM 580 CZ2 TRP A 37 13.413 34.482 0.365 1.00 0.00 C ATOM 581 CZ3 TRP A 37 11.558 33.209 1.278 1.00 0.00 C ATOM 582 CH2 TRP A 37 12.938 33.467 1.200 1.00 0.00 C ATOM 0 H TRP A 37 9.438 35.052 -3.724 1.00 0.00 H new ATOM 0 HA TRP A 37 8.486 34.052 -1.255 1.00 0.00 H new ATOM 0 HB2 TRP A 37 8.873 36.851 -2.358 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.476 36.507 -0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.303 37.475 -2.495 1.00 0.00 H new ATOM 0 HE1 TRP A 37 13.556 36.685 -1.549 1.00 0.00 H new ATOM 0 HE3 TRP A 37 9.586 33.756 0.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 14.472 34.686 0.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 11.195 32.425 1.926 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.631 32.881 1.785 1.00 0.00 H new ATOM 593 N ALA A 38 6.266 35.552 -3.189 1.00 0.00 N ATOM 594 CA ALA A 38 4.839 35.782 -3.374 1.00 0.00 C ATOM 595 C ALA A 38 4.169 34.548 -3.983 1.00 0.00 C ATOM 596 O ALA A 38 3.153 34.667 -4.665 1.00 0.00 O ATOM 597 CB ALA A 38 4.638 37.009 -4.267 1.00 0.00 C ATOM 0 H ALA A 38 6.840 35.833 -3.984 1.00 0.00 H new ATOM 0 HA ALA A 38 4.374 35.966 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.572 37.185 -4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.090 37.881 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.109 36.836 -5.235 1.00 0.00 H new ATOM 603 N ALA A 39 4.735 33.363 -3.721 1.00 0.00 N ATOM 604 CA ALA A 39 4.170 32.100 -4.175 1.00 0.00 C ATOM 605 C ALA A 39 4.122 31.140 -2.993 1.00 0.00 C ATOM 606 O ALA A 39 3.103 30.495 -2.758 1.00 0.00 O ATOM 607 CB ALA A 39 5.015 31.527 -5.313 1.00 0.00 C ATOM 0 H ALA A 39 5.598 33.260 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 39 3.160 32.253 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.585 30.582 -5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.031 32.231 -6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.033 31.358 -4.961 1.00 0.00 H new ATOM 613 N ILE A 40 5.228 31.055 -2.243 1.00 0.00 N ATOM 614 CA ILE A 40 5.308 30.194 -1.071 1.00 0.00 C ATOM 615 C ILE A 40 4.175 30.533 -0.099 1.00 0.00 C ATOM 616 O ILE A 40 3.504 29.633 0.403 1.00 0.00 O ATOM 617 CB ILE A 40 6.681 30.374 -0.399 1.00 0.00 C ATOM 618 CG1 ILE A 40 7.778 29.780 -1.296 1.00 0.00 C ATOM 619 CG2 ILE A 40 6.691 29.659 0.961 1.00 0.00 C ATOM 620 CD1 ILE A 40 9.141 30.360 -0.907 1.00 0.00 C ATOM 0 H ILE A 40 6.082 31.579 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 40 5.199 29.152 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 40 6.869 31.437 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.793 28.695 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.564 30.001 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.665 29.789 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.918 30.084 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.498 28.596 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.914 29.934 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.124 31.443 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.357 30.116 0.133 1.00 0.00 H new ATOM 632 N LYS A 41 3.969 31.834 0.170 1.00 0.00 N ATOM 633 CA LYS A 41 2.938 32.281 1.104 1.00 0.00 C ATOM 634 C LYS A 41 1.773 32.933 0.351 1.00 0.00 C ATOM 635 O LYS A 41 1.145 33.856 0.866 1.00 0.00 O ATOM 636 CB LYS A 41 3.559 33.259 2.110 1.00 0.00 C ATOM 637 CG LYS A 41 4.282 34.389 1.367 1.00 0.00 C ATOM 638 CD LYS A 41 4.367 35.637 2.253 1.00 0.00 C ATOM 639 CE LYS A 41 5.199 35.351 3.511 1.00 0.00 C ATOM 640 NZ LYS A 41 6.580 34.964 3.168 1.00 0.00 N ATOM 0 H LYS A 41 4.508 32.591 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 41 2.540 31.421 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.783 33.674 2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.260 32.732 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.284 34.066 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.752 34.625 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.815 36.457 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.365 35.956 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.215 36.236 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.729 34.554 4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.178 35.025 4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.588 33.988 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.949 35.606 2.438 1.00 0.00 H new ATOM 654 N GLU A 42 1.487 32.448 -0.863 1.00 0.00 N ATOM 655 CA GLU A 42 0.390 32.973 -1.671 1.00 0.00 C ATOM 656 C GLU A 42 -0.347 31.814 -2.347 1.00 0.00 C ATOM 657 O GLU A 42 -1.556 31.667 -2.180 1.00 0.00 O ATOM 658 CB GLU A 42 0.950 33.964 -2.701 1.00 0.00 C ATOM 659 CG GLU A 42 0.011 35.168 -2.840 1.00 0.00 C ATOM 660 CD GLU A 42 -1.346 34.750 -3.393 1.00 0.00 C ATOM 661 OE1 GLU A 42 -1.381 34.362 -4.581 1.00 0.00 O ATOM 662 OE2 GLU A 42 -2.323 34.828 -2.617 1.00 0.00 O ATOM 0 H GLU A 42 2.005 31.689 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.325 33.503 -1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.940 34.299 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.066 33.470 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.121 35.643 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.462 35.910 -3.499 1.00 0.00 H new ATOM 669 N LEU A 43 0.388 30.986 -3.103 1.00 0.00 N ATOM 670 CA LEU A 43 -0.192 29.833 -3.790 1.00 0.00 C ATOM 671 C LEU A 43 -0.247 28.628 -2.841 1.00 0.00 C ATOM 672 O LEU A 43 -0.475 27.504 -3.289 1.00 0.00 O ATOM 673 CB LEU A 43 0.648 29.509 -5.044 1.00 0.00 C ATOM 674 CG LEU A 43 0.128 30.259 -6.287 1.00 0.00 C ATOM 675 CD1 LEU A 43 -1.219 29.677 -6.736 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.029 31.755 -5.991 1.00 0.00 C ATOM 0 H LEU A 43 1.391 31.098 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.211 30.065 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.689 29.779 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.625 28.435 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 43 0.857 30.134 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.574 30.216 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.096 28.623 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.946 29.778 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.397 32.265 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.738 31.892 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.937 32.173 -5.706 1.00 0.00 H new ATOM 688 N HIS A 44 -0.051 28.870 -1.534 1.00 0.00 N ATOM 689 CA HIS A 44 -0.122 27.846 -0.515 1.00 0.00 C ATOM 690 C HIS A 44 1.149 27.018 -0.491 1.00 0.00 C ATOM 691 O HIS A 44 1.817 26.826 -1.506 1.00 0.00 O ATOM 692 CB HIS A 44 -1.347 26.954 -0.726 1.00 0.00 C ATOM 693 CG HIS A 44 -1.965 26.518 0.570 1.00 0.00 C ATOM 694 ND1 HIS A 44 -1.529 25.407 1.286 1.00 0.00 N ATOM 695 CD2 HIS A 44 -2.996 27.032 1.309 1.00 0.00 C ATOM 696 CE1 HIS A 44 -2.305 25.326 2.385 1.00 0.00 C ATOM 697 NE2 HIS A 44 -3.225 26.292 2.460 1.00 0.00 N ATOM 0 H HIS A 44 0.163 29.797 -1.166 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.223 28.338 0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.088 27.493 -1.316 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.058 26.075 -1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.563 27.908 1.030 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.194 24.555 3.133 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -3.925 26.447 3.186 1.00 0.00 H new ATOM 705 N TYR A 45 1.458 26.530 0.696 1.00 0.00 N ATOM 706 CA TYR A 45 2.621 25.694 0.935 1.00 0.00 C ATOM 707 C TYR A 45 2.380 24.863 2.194 1.00 0.00 C ATOM 708 O TYR A 45 1.703 25.316 3.115 1.00 0.00 O ATOM 709 CB TYR A 45 3.864 26.578 1.083 1.00 0.00 C ATOM 710 CG TYR A 45 5.095 25.826 1.548 1.00 0.00 C ATOM 711 CD1 TYR A 45 5.554 24.708 0.827 1.00 0.00 C ATOM 712 CD2 TYR A 45 5.782 26.243 2.703 1.00 0.00 C ATOM 713 CE1 TYR A 45 6.688 24.006 1.264 1.00 0.00 C ATOM 714 CE2 TYR A 45 6.920 25.543 3.137 1.00 0.00 C ATOM 715 CZ TYR A 45 7.371 24.425 2.419 1.00 0.00 C ATOM 716 OH TYR A 45 8.475 23.745 2.844 1.00 0.00 O ATOM 0 H TYR A 45 0.901 26.705 1.533 1.00 0.00 H new ATOM 0 HA TYR A 45 2.785 25.018 0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.079 27.051 0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.648 27.377 1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.033 24.390 -0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.434 27.102 3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.036 23.144 0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.447 25.865 4.023 1.00 0.00 H new ATOM 0 HH TYR A 45 8.827 24.167 3.656 1.00 0.00 H new ATOM 726 N SER A 46 2.936 23.644 2.222 1.00 0.00 N ATOM 727 CA SER A 46 2.782 22.739 3.350 1.00 0.00 C ATOM 728 C SER A 46 4.158 22.207 3.767 1.00 0.00 C ATOM 729 O SER A 46 4.621 21.207 3.217 1.00 0.00 O ATOM 730 CB SER A 46 1.859 21.585 2.945 1.00 0.00 C ATOM 731 OG SER A 46 0.586 22.096 2.603 1.00 0.00 O ATOM 0 H SER A 46 3.502 23.266 1.462 1.00 0.00 H new ATOM 0 HA SER A 46 2.340 23.265 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.285 21.045 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.768 20.873 3.765 1.00 0.00 H new ATOM 0 HG SER A 46 -0.004 21.358 2.342 1.00 0.00 H new ATOM 737 N PRO A 47 4.820 22.871 4.739 1.00 0.00 N ATOM 738 CA PRO A 47 6.122 22.452 5.219 1.00 0.00 C ATOM 739 C PRO A 47 6.027 21.099 5.924 1.00 0.00 C ATOM 740 O PRO A 47 4.931 20.598 6.176 1.00 0.00 O ATOM 741 CB PRO A 47 6.585 23.549 6.183 1.00 0.00 C ATOM 742 CG PRO A 47 5.429 24.550 6.312 1.00 0.00 C ATOM 743 CD PRO A 47 4.310 24.057 5.393 1.00 0.00 C ATOM 0 HA PRO A 47 6.831 22.323 4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.839 23.126 7.155 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.481 24.041 5.805 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.083 24.610 7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.751 25.551 6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.409 23.831 5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.041 24.820 4.662 1.00 0.00 H new ATOM 751 N SER A 48 7.180 20.509 6.248 1.00 0.00 N ATOM 752 CA SER A 48 7.229 19.228 6.928 1.00 0.00 C ATOM 753 C SER A 48 6.866 19.411 8.402 1.00 0.00 C ATOM 754 O SER A 48 7.104 20.477 8.972 1.00 0.00 O ATOM 755 CB SER A 48 8.631 18.633 6.779 1.00 0.00 C ATOM 756 OG SER A 48 9.600 19.615 7.093 1.00 0.00 O ATOM 0 H SER A 48 8.096 20.909 6.045 1.00 0.00 H new ATOM 0 HA SER A 48 6.508 18.542 6.483 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.744 17.773 7.439 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.779 18.275 5.760 1.00 0.00 H new ATOM 0 HG SER A 48 10.497 19.231 6.999 1.00 0.00 H new ATOM 762 N ALA A 49 6.292 18.361 9.013 1.00 0.00 N ATOM 763 CA ALA A 49 5.897 18.381 10.418 1.00 0.00 C ATOM 764 C ALA A 49 5.030 19.608 10.714 1.00 0.00 C ATOM 765 O ALA A 49 5.461 20.525 11.412 1.00 0.00 O ATOM 766 CB ALA A 49 7.150 18.364 11.302 1.00 0.00 C ATOM 0 H ALA A 49 6.092 17.479 8.541 1.00 0.00 H new ATOM 0 HA ALA A 49 5.302 17.495 10.638 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.855 18.379 12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.726 17.461 11.100 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.761 19.240 11.084 1.00 0.00 H new ATOM 772 N VAL A 50 3.799 19.616 10.180 1.00 0.00 N ATOM 773 CA VAL A 50 2.864 20.718 10.388 1.00 0.00 C ATOM 774 C VAL A 50 2.372 20.713 11.840 1.00 0.00 C ATOM 775 O VAL A 50 1.272 20.239 12.125 1.00 0.00 O ATOM 776 CB VAL A 50 1.686 20.608 9.400 1.00 0.00 C ATOM 777 CG1 VAL A 50 2.130 21.091 8.019 1.00 0.00 C ATOM 778 CG2 VAL A 50 1.194 19.156 9.291 1.00 0.00 C ATOM 0 H VAL A 50 3.432 18.863 9.598 1.00 0.00 H new ATOM 0 HA VAL A 50 3.372 21.664 10.201 1.00 0.00 H new ATOM 0 HB VAL A 50 0.869 21.228 9.770 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.297 21.013 7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.453 22.130 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.957 20.475 7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.363 19.105 8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.007 18.522 8.938 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.863 18.810 10.270 1.00 0.00 H new ATOM 788 N ALA A 51 3.200 21.244 12.753 1.00 0.00 N ATOM 789 CA ALA A 51 2.880 21.305 14.177 1.00 0.00 C ATOM 790 C ALA A 51 2.608 19.898 14.720 1.00 0.00 C ATOM 791 O ALA A 51 1.831 19.734 15.660 1.00 0.00 O ATOM 792 CB ALA A 51 1.677 22.227 14.400 1.00 0.00 C ATOM 0 H ALA A 51 4.109 21.642 12.519 1.00 0.00 H new ATOM 0 HA ALA A 51 3.731 21.715 14.721 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.443 22.269 15.464 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.915 23.228 14.041 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.816 21.841 13.854 1.00 0.00 H new ATOM 798 N ARG A 52 3.257 18.889 14.121 1.00 0.00 N ATOM 799 CA ARG A 52 3.098 17.502 14.525 1.00 0.00 C ATOM 800 C ARG A 52 4.418 16.774 14.311 1.00 0.00 C ATOM 801 O ARG A 52 4.862 16.623 13.174 1.00 0.00 O ATOM 802 CB ARG A 52 1.990 16.840 13.693 1.00 0.00 C ATOM 803 CG ARG A 52 0.617 17.376 14.111 1.00 0.00 C ATOM 804 CD ARG A 52 -0.492 16.585 13.409 1.00 0.00 C ATOM 805 NE ARG A 52 -0.452 16.788 11.949 1.00 0.00 N ATOM 806 CZ ARG A 52 0.081 15.902 11.078 1.00 0.00 C ATOM 807 NH1 ARG A 52 0.722 14.808 11.516 1.00 0.00 N ATOM 808 NH2 ARG A 52 -0.031 16.120 9.762 1.00 0.00 N ATOM 0 H ARG A 52 3.905 19.021 13.344 1.00 0.00 H new ATOM 0 HA ARG A 52 2.819 17.453 15.577 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.156 17.034 12.633 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.022 15.759 13.828 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.501 17.299 15.192 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.538 18.433 13.857 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.383 15.524 13.634 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.463 16.895 13.795 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.850 17.649 11.574 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.812 14.636 12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.119 14.148 10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.516 16.950 9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.369 15.456 9.099 1.00 0.00 H new ATOM 822 N SER A 53 5.045 16.322 15.402 1.00 0.00 N ATOM 823 CA SER A 53 6.305 15.603 15.326 1.00 0.00 C ATOM 824 C SER A 53 6.114 14.327 14.508 1.00 0.00 C ATOM 825 O SER A 53 6.832 14.101 13.536 1.00 0.00 O ATOM 826 CB SER A 53 6.792 15.282 16.742 1.00 0.00 C ATOM 827 OG SER A 53 5.746 14.693 17.487 1.00 0.00 O ATOM 0 H SER A 53 4.691 16.446 16.351 1.00 0.00 H new ATOM 0 HA SER A 53 7.058 16.217 14.833 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.645 14.605 16.698 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.133 16.193 17.234 1.00 0.00 H new ATOM 0 HG SER A 53 6.064 14.488 18.391 1.00 0.00 H new ATOM 833 N LEU A 54 5.137 13.500 14.910 1.00 0.00 N ATOM 834 CA LEU A 54 4.825 12.256 14.218 1.00 0.00 C ATOM 835 C LEU A 54 6.113 11.438 14.014 1.00 0.00 C ATOM 836 O LEU A 54 6.827 11.167 14.978 1.00 0.00 O ATOM 837 CB LEU A 54 4.118 12.590 12.891 1.00 0.00 C ATOM 838 CG LEU A 54 3.378 11.352 12.353 1.00 0.00 C ATOM 839 CD1 LEU A 54 1.985 11.266 12.985 1.00 0.00 C ATOM 840 CD2 LEU A 54 3.240 11.462 10.833 1.00 0.00 C ATOM 0 H LEU A 54 4.547 13.681 15.722 1.00 0.00 H new ATOM 0 HA LEU A 54 4.149 11.640 14.811 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.412 13.407 13.043 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.849 12.932 12.158 1.00 0.00 H new ATOM 0 HG LEU A 54 3.945 10.456 12.606 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.465 10.388 12.601 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.081 11.186 14.068 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.417 12.162 12.736 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.716 10.586 10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.675 12.360 10.583 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.230 11.518 10.381 1.00 0.00 H new ATOM 852 N LYS A 55 6.409 11.051 12.764 1.00 0.00 N ATOM 853 CA LYS A 55 7.598 10.286 12.447 1.00 0.00 C ATOM 854 C LYS A 55 7.902 10.450 10.957 1.00 0.00 C ATOM 855 O LYS A 55 7.037 10.177 10.126 1.00 0.00 O ATOM 856 CB LYS A 55 7.371 8.812 12.808 1.00 0.00 C ATOM 857 CG LYS A 55 8.701 8.055 12.785 1.00 0.00 C ATOM 858 CD LYS A 55 8.468 6.597 13.189 1.00 0.00 C ATOM 859 CE LYS A 55 9.797 5.838 13.163 1.00 0.00 C ATOM 860 NZ LYS A 55 9.609 4.428 13.554 1.00 0.00 N ATOM 0 H LYS A 55 5.825 11.265 11.955 1.00 0.00 H new ATOM 0 HA LYS A 55 8.450 10.646 13.023 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.918 8.737 13.797 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.674 8.360 12.103 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.140 8.101 11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.410 8.524 13.468 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.031 6.551 14.186 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.757 6.129 12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.228 5.887 12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.506 6.315 13.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.525 3.936 13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.219 4.384 14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.951 3.969 12.893 1.00 0.00 H new ATOM 874 N VAL A 56 9.133 10.902 10.641 1.00 0.00 N ATOM 875 CA VAL A 56 9.586 11.143 9.264 1.00 0.00 C ATOM 876 C VAL A 56 8.469 11.785 8.426 1.00 0.00 C ATOM 877 O VAL A 56 7.866 12.745 8.956 1.00 0.00 O ATOM 878 CB VAL A 56 10.112 9.835 8.623 1.00 0.00 C ATOM 879 CG1 VAL A 56 11.282 9.293 9.449 1.00 0.00 C ATOM 880 CG2 VAL A 56 9.013 8.766 8.538 1.00 0.00 C ATOM 881 OXT VAL A 56 8.486 11.543 7.200 1.00 0.00 O ATOM 0 H VAL A 56 9.843 11.110 11.343 1.00 0.00 H new ATOM 0 HA VAL A 56 10.416 11.849 9.290 1.00 0.00 H new ATOM 0 HB VAL A 56 10.441 10.067 7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.651 8.373 8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.083 10.032 9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.946 9.088 10.465 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.419 7.862 8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.650 8.536 9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.189 9.139 7.931 1.00 0.00 H new TER 891 VAL A 56