USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 520 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.117 K(o=-0.12,f=-2!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 11 GLN : amide:sc= -1.04 K(o=-1,f=-1.7) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= -0.0655 (180deg=-0.525) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.28) USER MOD Single : A 57 LYS NZ :NH3+ -100:sc= -1.19 (180deg=-2.19!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.619 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 2.328 -1.014 -1.048 1.00 42.34 N ATOM 2 CA TYR A 6 2.768 -1.394 -2.385 1.00 61.34 C ATOM 3 C TYR A 6 2.014 -2.626 -2.877 1.00 23.32 C ATOM 4 O TYR A 6 1.185 -3.186 -2.160 1.00 25.41 O ATOM 5 CB TYR A 6 4.273 -1.667 -2.391 1.00 61.54 C ATOM 6 CG TYR A 6 5.076 -0.652 -1.611 1.00 10.44 C ATOM 7 CD1 TYR A 6 5.092 0.686 -1.985 1.00 43.43 C ATOM 8 CD2 TYR A 6 5.819 -1.030 -0.499 1.00 51.41 C ATOM 9 CE1 TYR A 6 5.825 1.618 -1.276 1.00 11.05 C ATOM 10 CE2 TYR A 6 6.553 -0.105 0.217 1.00 2.45 C ATOM 11 CZ TYR A 6 6.553 1.218 -0.175 1.00 22.23 C ATOM 12 OH TYR A 6 7.285 2.142 0.536 1.00 55.04 O ATOM 0 HA TYR A 6 2.553 -0.565 -3.060 1.00 61.34 H new ATOM 0 HB2 TYR A 6 4.455 -2.658 -1.976 1.00 61.54 H new ATOM 0 HB3 TYR A 6 4.627 -1.683 -3.422 1.00 61.54 H new ATOM 0 HD1 TYR A 6 4.521 1.003 -2.845 1.00 43.43 H new ATOM 0 HD2 TYR A 6 5.822 -2.065 -0.190 1.00 51.41 H new ATOM 0 HE1 TYR A 6 5.828 2.654 -1.582 1.00 11.05 H new ATOM 0 HE2 TYR A 6 7.124 -0.416 1.079 1.00 2.45 H new ATOM 0 HH TYR A 6 7.738 1.696 1.282 1.00 55.04 H new ATOM 22 N GLN A 7 2.310 -3.042 -4.104 1.00 74.12 N ATOM 23 CA GLN A 7 1.660 -4.208 -4.692 1.00 42.43 C ATOM 24 C GLN A 7 1.597 -5.358 -3.693 1.00 1.23 C ATOM 25 O GLN A 7 2.038 -5.226 -2.551 1.00 3.21 O ATOM 26 CB GLN A 7 2.406 -4.652 -5.952 1.00 54.51 C ATOM 27 CG GLN A 7 2.107 -3.793 -7.170 1.00 52.52 C ATOM 28 CD GLN A 7 3.190 -3.882 -8.227 1.00 52.03 C ATOM 29 OE1 GLN A 7 4.312 -4.304 -7.948 1.00 45.32 O ATOM 30 NE2 GLN A 7 2.858 -3.485 -9.450 1.00 41.41 N ATOM 0 H GLN A 7 2.995 -2.590 -4.710 1.00 74.12 H new ATOM 0 HA GLN A 7 0.641 -3.928 -4.960 1.00 42.43 H new ATOM 0 HB2 GLN A 7 3.478 -4.630 -5.756 1.00 54.51 H new ATOM 0 HB3 GLN A 7 2.144 -5.686 -6.174 1.00 54.51 H new ATOM 0 HG2 GLN A 7 1.156 -4.102 -7.603 1.00 52.52 H new ATOM 0 HG3 GLN A 7 1.993 -2.755 -6.858 1.00 52.52 H new ATOM 0 HE21 GLN A 7 1.916 -3.142 -9.637 1.00 41.41 H new ATOM 0 HE22 GLN A 7 3.545 -3.523 -10.203 1.00 41.41 H new ATOM 39 N ASP A 8 1.046 -6.485 -4.129 1.00 53.24 N ATOM 40 CA ASP A 8 0.925 -7.659 -3.273 1.00 3.00 C ATOM 41 C ASP A 8 2.108 -7.756 -2.314 1.00 40.13 C ATOM 42 O ASP A 8 1.952 -8.156 -1.161 1.00 64.41 O ATOM 43 CB ASP A 8 0.835 -8.928 -4.121 1.00 62.34 C ATOM 44 CG ASP A 8 1.789 -8.906 -5.300 1.00 13.02 C ATOM 45 OD1 ASP A 8 2.992 -9.173 -5.095 1.00 74.24 O ATOM 46 OD2 ASP A 8 1.332 -8.622 -6.427 1.00 20.23 O ATOM 0 H ASP A 8 0.676 -6.611 -5.071 1.00 53.24 H new ATOM 0 HA ASP A 8 0.012 -7.558 -2.687 1.00 3.00 H new ATOM 0 HB2 ASP A 8 1.053 -9.795 -3.497 1.00 62.34 H new ATOM 0 HB3 ASP A 8 -0.185 -9.046 -4.485 1.00 62.34 H new ATOM 51 N GLN A 9 3.289 -7.388 -2.800 1.00 50.24 N ATOM 52 CA GLN A 9 4.498 -7.435 -1.987 1.00 31.33 C ATOM 53 C GLN A 9 4.245 -6.850 -0.601 1.00 70.02 C ATOM 54 O GLN A 9 4.616 -7.444 0.410 1.00 1.04 O ATOM 55 CB GLN A 9 5.632 -6.674 -2.676 1.00 21.45 C ATOM 56 CG GLN A 9 5.932 -7.170 -4.081 1.00 32.31 C ATOM 57 CD GLN A 9 7.149 -6.501 -4.689 1.00 31.43 C ATOM 58 OE1 GLN A 9 8.197 -6.395 -4.050 1.00 54.15 O ATOM 59 NE2 GLN A 9 7.017 -6.046 -5.929 1.00 60.31 N ATOM 0 H GLN A 9 3.434 -7.054 -3.753 1.00 50.24 H new ATOM 0 HA GLN A 9 4.788 -8.479 -1.873 1.00 31.33 H new ATOM 0 HB2 GLN A 9 5.374 -5.616 -2.721 1.00 21.45 H new ATOM 0 HB3 GLN A 9 6.534 -6.757 -2.070 1.00 21.45 H new ATOM 0 HG2 GLN A 9 6.090 -8.248 -4.056 1.00 32.31 H new ATOM 0 HG3 GLN A 9 5.066 -6.989 -4.718 1.00 32.31 H new ATOM 0 HE21 GLN A 9 6.130 -6.156 -6.421 1.00 60.31 H new ATOM 0 HE22 GLN A 9 7.802 -5.587 -6.390 1.00 60.31 H new ATOM 68 N GLU A 10 3.611 -5.682 -0.564 1.00 45.23 N ATOM 69 CA GLU A 10 3.311 -5.016 0.698 1.00 74.42 C ATOM 70 C GLU A 10 2.131 -5.685 1.398 1.00 24.50 C ATOM 71 O GLU A 10 2.104 -5.791 2.624 1.00 54.12 O ATOM 72 CB GLU A 10 3.003 -3.537 0.459 1.00 3.41 C ATOM 73 CG GLU A 10 2.911 -2.720 1.737 1.00 33.33 C ATOM 74 CD GLU A 10 1.480 -2.520 2.199 1.00 23.34 C ATOM 75 OE1 GLU A 10 0.708 -1.865 1.469 1.00 53.10 O ATOM 76 OE2 GLU A 10 1.134 -3.018 3.291 1.00 73.34 O ATOM 0 H GLU A 10 3.296 -5.178 -1.393 1.00 45.23 H new ATOM 0 HA GLU A 10 4.188 -5.098 1.340 1.00 74.42 H new ATOM 0 HB2 GLU A 10 3.778 -3.112 -0.179 1.00 3.41 H new ATOM 0 HB3 GLU A 10 2.062 -3.454 -0.084 1.00 3.41 H new ATOM 0 HG2 GLU A 10 3.477 -3.218 2.524 1.00 33.33 H new ATOM 0 HG3 GLU A 10 3.377 -1.748 1.577 1.00 33.33 H new ATOM 83 N GLN A 11 1.160 -6.135 0.610 1.00 41.32 N ATOM 84 CA GLN A 11 -0.022 -6.792 1.154 1.00 31.21 C ATOM 85 C GLN A 11 0.355 -8.086 1.868 1.00 12.14 C ATOM 86 O GLN A 11 -0.301 -8.490 2.828 1.00 35.14 O ATOM 87 CB GLN A 11 -1.027 -7.086 0.039 1.00 53.40 C ATOM 88 CG GLN A 11 -1.100 -8.555 -0.343 1.00 73.21 C ATOM 89 CD GLN A 11 -1.921 -8.792 -1.596 1.00 24.53 C ATOM 90 OE1 GLN A 11 -2.681 -7.925 -2.028 1.00 25.24 O ATOM 91 NE2 GLN A 11 -1.771 -9.972 -2.187 1.00 42.11 N ATOM 0 H GLN A 11 1.169 -6.057 -0.407 1.00 41.32 H new ATOM 0 HA GLN A 11 -0.480 -6.118 1.878 1.00 31.21 H new ATOM 0 HB2 GLN A 11 -2.015 -6.752 0.355 1.00 53.40 H new ATOM 0 HB3 GLN A 11 -0.760 -6.503 -0.842 1.00 53.40 H new ATOM 0 HG2 GLN A 11 -0.091 -8.937 -0.497 1.00 73.21 H new ATOM 0 HG3 GLN A 11 -1.533 -9.120 0.483 1.00 73.21 H new ATOM 0 HE21 GLN A 11 -1.130 -10.661 -1.794 1.00 42.11 H new ATOM 0 HE22 GLN A 11 -2.297 -10.189 -3.034 1.00 42.11 H new ATOM 100 N ARG A 12 1.415 -8.731 1.393 1.00 3.15 N ATOM 101 CA ARG A 12 1.878 -9.980 1.986 1.00 44.10 C ATOM 102 C ARG A 12 2.564 -9.725 3.325 1.00 2.00 C ATOM 103 O ARG A 12 2.184 -10.297 4.347 1.00 14.31 O ATOM 104 CB ARG A 12 2.841 -10.694 1.035 1.00 2.15 C ATOM 105 CG ARG A 12 2.895 -12.199 1.240 1.00 1.04 C ATOM 106 CD ARG A 12 4.050 -12.597 2.146 1.00 1.20 C ATOM 107 NE ARG A 12 4.459 -13.983 1.935 1.00 41.24 N ATOM 108 CZ ARG A 12 3.795 -15.027 2.418 1.00 42.20 C ATOM 109 NH1 ARG A 12 2.696 -14.843 3.136 1.00 1.03 N ATOM 110 NH2 ARG A 12 4.230 -16.258 2.183 1.00 62.14 N ATOM 0 H ARG A 12 1.969 -8.410 0.599 1.00 3.15 H new ATOM 0 HA ARG A 12 1.009 -10.616 2.158 1.00 44.10 H new ATOM 0 HB2 ARG A 12 2.544 -10.486 0.007 1.00 2.15 H new ATOM 0 HB3 ARG A 12 3.841 -10.282 1.167 1.00 2.15 H new ATOM 0 HG2 ARG A 12 1.956 -12.542 1.674 1.00 1.04 H new ATOM 0 HG3 ARG A 12 3.000 -12.695 0.275 1.00 1.04 H new ATOM 0 HD2 ARG A 12 4.898 -11.937 1.963 1.00 1.20 H new ATOM 0 HD3 ARG A 12 3.758 -12.460 3.187 1.00 1.20 H new ATOM 0 HE ARG A 12 5.301 -14.159 1.387 1.00 41.24 H new ATOM 0 HH11 ARG A 12 2.358 -13.898 3.319 1.00 1.03 H new ATOM 0 HH12 ARG A 12 2.188 -15.646 3.506 1.00 1.03 H new ATOM 0 HH21 ARG A 12 5.075 -16.404 1.631 1.00 62.14 H new ATOM 0 HH22 ARG A 12 3.719 -17.059 2.554 1.00 62.14 H new ATOM 124 N ILE A 13 3.576 -8.864 3.311 1.00 24.40 N ATOM 125 CA ILE A 13 4.314 -8.534 4.524 1.00 43.12 C ATOM 126 C ILE A 13 3.381 -8.006 5.608 1.00 3.23 C ATOM 127 O ILE A 13 3.691 -8.078 6.798 1.00 0.23 O ATOM 128 CB ILE A 13 5.409 -7.486 4.249 1.00 53.30 C ATOM 129 CG1 ILE A 13 4.793 -6.216 3.657 1.00 33.33 C ATOM 130 CG2 ILE A 13 6.464 -8.055 3.313 1.00 40.04 C ATOM 131 CD1 ILE A 13 5.808 -5.136 3.355 1.00 73.31 C ATOM 0 H ILE A 13 3.903 -8.383 2.474 1.00 24.40 H new ATOM 0 HA ILE A 13 4.783 -9.455 4.869 1.00 43.12 H new ATOM 0 HB ILE A 13 5.890 -7.229 5.193 1.00 53.30 H new ATOM 0 HG12 ILE A 13 4.264 -6.472 2.739 1.00 33.33 H new ATOM 0 HG13 ILE A 13 4.052 -5.823 4.353 1.00 33.33 H new ATOM 0 HG21 ILE A 13 7.231 -7.302 3.128 1.00 40.04 H new ATOM 0 HG22 ILE A 13 6.920 -8.933 3.770 1.00 40.04 H new ATOM 0 HG23 ILE A 13 5.998 -8.338 2.369 1.00 40.04 H new ATOM 0 HD11 ILE A 13 5.301 -4.266 2.938 1.00 73.31 H new ATOM 0 HD12 ILE A 13 6.321 -4.851 4.274 1.00 73.31 H new ATOM 0 HD13 ILE A 13 6.535 -5.511 2.635 1.00 73.31 H new ATOM 143 N LEU A 14 2.237 -7.477 5.190 1.00 51.30 N ATOM 144 CA LEU A 14 1.256 -6.938 6.126 1.00 40.33 C ATOM 145 C LEU A 14 0.450 -8.058 6.776 1.00 64.04 C ATOM 146 O LEU A 14 0.197 -8.037 7.980 1.00 21.43 O ATOM 147 CB LEU A 14 0.316 -5.968 5.407 1.00 34.43 C ATOM 148 CG LEU A 14 0.233 -4.557 5.990 1.00 32.33 C ATOM 149 CD1 LEU A 14 -0.841 -3.748 5.280 1.00 71.33 C ATOM 150 CD2 LEU A 14 -0.041 -4.613 7.486 1.00 34.51 C ATOM 0 H LEU A 14 1.965 -7.410 4.209 1.00 51.30 H new ATOM 0 HA LEU A 14 1.793 -6.402 6.908 1.00 40.33 H new ATOM 0 HB2 LEU A 14 0.632 -5.892 4.367 1.00 34.43 H new ATOM 0 HB3 LEU A 14 -0.686 -6.398 5.405 1.00 34.43 H new ATOM 0 HG LEU A 14 1.193 -4.064 5.835 1.00 32.33 H new ATOM 0 HD11 LEU A 14 -0.885 -2.747 5.709 1.00 71.33 H new ATOM 0 HD12 LEU A 14 -0.602 -3.678 4.219 1.00 71.33 H new ATOM 0 HD13 LEU A 14 -1.807 -4.238 5.403 1.00 71.33 H new ATOM 0 HD21 LEU A 14 -0.097 -3.600 7.884 1.00 34.51 H new ATOM 0 HD22 LEU A 14 -0.987 -5.125 7.664 1.00 34.51 H new ATOM 0 HD23 LEU A 14 0.764 -5.154 7.983 1.00 34.51 H new ATOM 162 N LYS A 15 0.052 -9.037 5.970 1.00 12.13 N ATOM 163 CA LYS A 15 -0.722 -10.169 6.466 1.00 11.21 C ATOM 164 C LYS A 15 0.187 -11.205 7.119 1.00 31.20 C ATOM 165 O LYS A 15 -0.281 -12.097 7.828 1.00 45.31 O ATOM 166 CB LYS A 15 -1.510 -10.814 5.324 1.00 54.42 C ATOM 167 CG LYS A 15 -0.727 -11.871 4.566 1.00 71.25 C ATOM 168 CD LYS A 15 -1.175 -11.965 3.116 1.00 4.54 C ATOM 169 CE LYS A 15 -0.552 -13.163 2.417 1.00 41.02 C ATOM 170 NZ LYS A 15 -1.369 -14.395 2.595 1.00 24.42 N ATOM 0 H LYS A 15 0.253 -9.069 4.970 1.00 12.13 H new ATOM 0 HA LYS A 15 -1.420 -9.799 7.217 1.00 11.21 H new ATOM 0 HB2 LYS A 15 -2.416 -11.265 5.729 1.00 54.42 H new ATOM 0 HB3 LYS A 15 -1.825 -10.037 4.627 1.00 54.42 H new ATOM 0 HG2 LYS A 15 0.336 -11.635 4.605 1.00 71.25 H new ATOM 0 HG3 LYS A 15 -0.856 -12.838 5.051 1.00 71.25 H new ATOM 0 HD2 LYS A 15 -2.261 -12.042 3.074 1.00 4.54 H new ATOM 0 HD3 LYS A 15 -0.900 -11.051 2.589 1.00 4.54 H new ATOM 0 HE2 LYS A 15 -0.446 -12.948 1.354 1.00 41.02 H new ATOM 0 HE3 LYS A 15 0.451 -13.332 2.810 1.00 41.02 H new ATOM 0 HZ1 LYS A 15 -0.911 -15.189 2.104 1.00 24.42 H new ATOM 0 HZ2 LYS A 15 -1.450 -14.615 3.608 1.00 24.42 H new ATOM 0 HZ3 LYS A 15 -2.318 -14.243 2.197 1.00 24.42 H new ATOM 184 N PHE A 16 1.488 -11.081 6.877 1.00 74.23 N ATOM 185 CA PHE A 16 2.462 -12.007 7.442 1.00 62.23 C ATOM 186 C PHE A 16 2.823 -11.612 8.871 1.00 50.13 C ATOM 187 O PHE A 16 2.570 -12.359 9.817 1.00 64.55 O ATOM 188 CB PHE A 16 3.724 -12.044 6.577 1.00 53.33 C ATOM 189 CG PHE A 16 4.777 -12.982 7.092 1.00 21.03 C ATOM 190 CD1 PHE A 16 4.434 -14.241 7.558 1.00 61.21 C ATOM 191 CD2 PHE A 16 6.110 -12.605 7.111 1.00 63.21 C ATOM 192 CE1 PHE A 16 5.401 -15.106 8.034 1.00 65.14 C ATOM 193 CE2 PHE A 16 7.082 -13.466 7.585 1.00 22.20 C ATOM 194 CZ PHE A 16 6.727 -14.719 8.046 1.00 2.30 C ATOM 0 H PHE A 16 1.892 -10.348 6.293 1.00 74.23 H new ATOM 0 HA PHE A 16 2.013 -13.000 7.461 1.00 62.23 H new ATOM 0 HB2 PHE A 16 3.451 -12.338 5.563 1.00 53.33 H new ATOM 0 HB3 PHE A 16 4.142 -11.039 6.516 1.00 53.33 H new ATOM 0 HD1 PHE A 16 3.399 -14.550 7.549 1.00 61.21 H new ATOM 0 HD2 PHE A 16 6.393 -11.627 6.751 1.00 63.21 H new ATOM 0 HE1 PHE A 16 5.120 -16.084 8.396 1.00 65.14 H new ATOM 0 HE2 PHE A 16 8.118 -13.160 7.595 1.00 22.20 H new ATOM 0 HZ PHE A 16 7.485 -15.395 8.415 1.00 2.30 H new ATOM 204 N LEU A 17 3.416 -10.432 9.020 1.00 75.41 N ATOM 205 CA LEU A 17 3.812 -9.936 10.333 1.00 25.32 C ATOM 206 C LEU A 17 2.603 -9.803 11.253 1.00 22.33 C ATOM 207 O LEU A 17 2.735 -9.843 12.476 1.00 20.30 O ATOM 208 CB LEU A 17 4.516 -8.585 10.198 1.00 1.33 C ATOM 209 CG LEU A 17 3.625 -7.349 10.322 1.00 13.44 C ATOM 210 CD1 LEU A 17 2.470 -7.422 9.336 1.00 52.03 C ATOM 211 CD2 LEU A 17 3.105 -7.207 11.745 1.00 15.15 C ATOM 0 H LEU A 17 3.633 -9.802 8.248 1.00 75.41 H new ATOM 0 HA LEU A 17 4.502 -10.656 10.773 1.00 25.32 H new ATOM 0 HB2 LEU A 17 5.294 -8.525 10.959 1.00 1.33 H new ATOM 0 HB3 LEU A 17 5.015 -8.553 9.229 1.00 1.33 H new ATOM 0 HG LEU A 17 4.223 -6.469 10.085 1.00 13.44 H new ATOM 0 HD11 LEU A 17 1.847 -6.534 9.439 1.00 52.03 H new ATOM 0 HD12 LEU A 17 2.862 -7.475 8.320 1.00 52.03 H new ATOM 0 HD13 LEU A 17 1.872 -8.310 9.541 1.00 52.03 H new ATOM 0 HD21 LEU A 17 2.473 -6.322 11.815 1.00 15.15 H new ATOM 0 HD22 LEU A 17 2.524 -8.090 12.010 1.00 15.15 H new ATOM 0 HD23 LEU A 17 3.946 -7.107 12.431 1.00 15.15 H new ATOM 223 N GLU A 18 1.426 -9.647 10.656 1.00 32.11 N ATOM 224 CA GLU A 18 0.193 -9.510 11.423 1.00 3.11 C ATOM 225 C GLU A 18 -0.381 -10.878 11.780 1.00 62.14 C ATOM 226 O GLU A 18 -1.013 -11.044 12.822 1.00 25.44 O ATOM 227 CB GLU A 18 -0.838 -8.702 10.633 1.00 72.13 C ATOM 228 CG GLU A 18 -1.638 -9.536 9.645 1.00 4.25 C ATOM 229 CD GLU A 18 -2.839 -10.204 10.285 1.00 30.30 C ATOM 230 OE1 GLU A 18 -3.367 -9.653 11.274 1.00 74.25 O ATOM 231 OE2 GLU A 18 -3.251 -11.278 9.798 1.00 44.21 O ATOM 0 H GLU A 18 1.300 -9.612 9.644 1.00 32.11 H new ATOM 0 HA GLU A 18 0.427 -8.982 12.347 1.00 3.11 H new ATOM 0 HB2 GLU A 18 -1.525 -8.223 11.331 1.00 72.13 H new ATOM 0 HB3 GLU A 18 -0.326 -7.905 10.093 1.00 72.13 H new ATOM 0 HG2 GLU A 18 -1.974 -8.900 8.826 1.00 4.25 H new ATOM 0 HG3 GLU A 18 -0.991 -10.298 9.211 1.00 4.25 H new ATOM 238 N GLU A 19 -0.156 -11.854 10.905 1.00 12.21 N ATOM 239 CA GLU A 19 -0.652 -13.207 11.127 1.00 14.11 C ATOM 240 C GLU A 19 -0.246 -13.716 12.507 1.00 65.01 C ATOM 241 O GLU A 19 -1.042 -14.338 13.211 1.00 22.14 O ATOM 242 CB GLU A 19 -0.123 -14.152 10.046 1.00 11.22 C ATOM 243 CG GLU A 19 -0.324 -15.622 10.372 1.00 71.33 C ATOM 244 CD GLU A 19 -1.744 -15.936 10.802 1.00 1.31 C ATOM 245 OE1 GLU A 19 -2.681 -15.325 10.247 1.00 32.32 O ATOM 246 OE2 GLU A 19 -1.917 -16.792 11.694 1.00 32.34 O ATOM 0 H GLU A 19 0.366 -11.733 10.037 1.00 12.21 H new ATOM 0 HA GLU A 19 -1.740 -13.180 11.075 1.00 14.11 H new ATOM 0 HB2 GLU A 19 -0.620 -13.926 9.103 1.00 11.22 H new ATOM 0 HB3 GLU A 19 0.940 -13.963 9.899 1.00 11.22 H new ATOM 0 HG2 GLU A 19 -0.072 -16.222 9.497 1.00 71.33 H new ATOM 0 HG3 GLU A 19 0.364 -15.912 11.166 1.00 71.33 H new ATOM 253 N LEU A 20 0.999 -13.448 12.886 1.00 20.23 N ATOM 254 CA LEU A 20 1.513 -13.879 14.182 1.00 65.03 C ATOM 255 C LEU A 20 0.846 -13.108 15.316 1.00 25.03 C ATOM 256 O LEU A 20 0.705 -13.617 16.427 1.00 22.13 O ATOM 257 CB LEU A 20 3.030 -13.685 14.240 1.00 33.24 C ATOM 258 CG LEU A 20 3.514 -12.267 14.544 1.00 12.10 C ATOM 259 CD1 LEU A 20 3.727 -12.084 16.039 1.00 64.34 C ATOM 260 CD2 LEU A 20 4.795 -11.965 13.780 1.00 74.44 C ATOM 0 H LEU A 20 1.671 -12.935 12.315 1.00 20.23 H new ATOM 0 HA LEU A 20 1.283 -14.938 14.304 1.00 65.03 H new ATOM 0 HB2 LEU A 20 3.433 -14.356 14.999 1.00 33.24 H new ATOM 0 HB3 LEU A 20 3.453 -13.995 13.284 1.00 33.24 H new ATOM 0 HG LEU A 20 2.747 -11.565 14.219 1.00 12.10 H new ATOM 0 HD11 LEU A 20 4.071 -11.069 16.236 1.00 64.34 H new ATOM 0 HD12 LEU A 20 2.788 -12.257 16.564 1.00 64.34 H new ATOM 0 HD13 LEU A 20 4.475 -12.795 16.390 1.00 64.34 H new ATOM 0 HD21 LEU A 20 5.125 -10.952 14.009 1.00 74.44 H new ATOM 0 HD22 LEU A 20 5.569 -12.674 14.074 1.00 74.44 H new ATOM 0 HD23 LEU A 20 4.610 -12.053 12.710 1.00 74.44 H new ATOM 272 N GLY A 21 0.436 -11.877 15.027 1.00 11.22 N ATOM 273 CA GLY A 21 -0.213 -11.056 16.033 1.00 74.23 C ATOM 274 C GLY A 21 -0.240 -9.588 15.655 1.00 65.52 C ATOM 275 O GLY A 21 0.804 -8.939 15.594 1.00 55.42 O ATOM 0 H GLY A 21 0.541 -11.433 14.115 1.00 11.22 H new ATOM 0 HA2 GLY A 21 -1.234 -11.408 16.182 1.00 74.23 H new ATOM 0 HA3 GLY A 21 0.307 -11.174 16.984 1.00 74.23 H new ATOM 279 N GLU A 22 -1.435 -9.066 15.399 1.00 41.11 N ATOM 280 CA GLU A 22 -1.591 -7.666 15.022 1.00 10.13 C ATOM 281 C GLU A 22 -1.263 -6.747 16.196 1.00 74.02 C ATOM 282 O GLU A 22 -1.867 -6.847 17.263 1.00 5.54 O ATOM 283 CB GLU A 22 -3.018 -7.402 14.536 1.00 5.41 C ATOM 284 CG GLU A 22 -3.170 -6.094 13.778 1.00 44.33 C ATOM 285 CD GLU A 22 -3.190 -4.886 14.695 1.00 61.41 C ATOM 286 OE1 GLU A 22 -3.532 -5.052 15.885 1.00 44.12 O ATOM 287 OE2 GLU A 22 -2.865 -3.777 14.224 1.00 43.15 O ATOM 0 H GLU A 22 -2.308 -9.591 15.446 1.00 41.11 H new ATOM 0 HA GLU A 22 -0.894 -7.454 14.211 1.00 10.13 H new ATOM 0 HB2 GLU A 22 -3.332 -8.224 13.892 1.00 5.41 H new ATOM 0 HB3 GLU A 22 -3.690 -7.395 15.394 1.00 5.41 H new ATOM 0 HG2 GLU A 22 -2.349 -5.993 13.068 1.00 44.33 H new ATOM 0 HG3 GLU A 22 -4.092 -6.120 13.198 1.00 44.33 H new ATOM 294 N GLY A 23 -0.302 -5.852 15.989 1.00 51.02 N ATOM 295 CA GLY A 23 0.090 -4.929 17.037 1.00 2.34 C ATOM 296 C GLY A 23 1.151 -5.507 17.952 1.00 24.32 C ATOM 297 O GLY A 23 1.296 -5.079 19.097 1.00 2.42 O ATOM 0 H GLY A 23 0.212 -5.750 15.114 1.00 51.02 H new ATOM 0 HA2 GLY A 23 0.465 -4.010 16.586 1.00 2.34 H new ATOM 0 HA3 GLY A 23 -0.786 -4.660 17.627 1.00 2.34 H new ATOM 301 N LYS A 24 1.896 -6.486 17.448 1.00 54.33 N ATOM 302 CA LYS A 24 2.949 -7.125 18.226 1.00 22.54 C ATOM 303 C LYS A 24 4.327 -6.730 17.705 1.00 23.24 C ATOM 304 O LYS A 24 4.452 -5.835 16.871 1.00 40.52 O ATOM 305 CB LYS A 24 2.793 -8.647 18.182 1.00 74.15 C ATOM 306 CG LYS A 24 1.398 -9.126 18.545 1.00 12.02 C ATOM 307 CD LYS A 24 1.037 -8.757 19.974 1.00 35.13 C ATOM 308 CE LYS A 24 1.983 -9.405 20.973 1.00 33.34 C ATOM 309 NZ LYS A 24 1.403 -9.439 22.345 1.00 62.02 N ATOM 0 H LYS A 24 1.789 -6.854 16.503 1.00 54.33 H new ATOM 0 HA LYS A 24 2.859 -6.786 19.258 1.00 22.54 H new ATOM 0 HB2 LYS A 24 3.040 -9.000 17.181 1.00 74.15 H new ATOM 0 HB3 LYS A 24 3.512 -9.098 18.866 1.00 74.15 H new ATOM 0 HG2 LYS A 24 0.672 -8.688 17.860 1.00 12.02 H new ATOM 0 HG3 LYS A 24 1.340 -10.207 18.422 1.00 12.02 H new ATOM 0 HD2 LYS A 24 1.070 -7.674 20.090 1.00 35.13 H new ATOM 0 HD3 LYS A 24 0.014 -9.070 20.184 1.00 35.13 H new ATOM 0 HE2 LYS A 24 2.212 -10.421 20.650 1.00 33.34 H new ATOM 0 HE3 LYS A 24 2.925 -8.856 20.990 1.00 33.34 H new ATOM 0 HZ1 LYS A 24 2.078 -9.888 22.996 1.00 62.02 H new ATOM 0 HZ2 LYS A 24 1.208 -8.468 22.664 1.00 62.02 H new ATOM 0 HZ3 LYS A 24 0.518 -9.984 22.334 1.00 62.02 H new ATOM 323 N ALA A 25 5.359 -7.405 18.202 1.00 13.15 N ATOM 324 CA ALA A 25 6.727 -7.126 17.784 1.00 31.11 C ATOM 325 C ALA A 25 7.262 -8.234 16.883 1.00 51.32 C ATOM 326 O ALA A 25 6.930 -9.407 17.058 1.00 0.43 O ATOM 327 CB ALA A 25 7.625 -6.952 19.000 1.00 43.03 C ATOM 0 H ALA A 25 5.273 -8.149 18.895 1.00 13.15 H new ATOM 0 HA ALA A 25 6.724 -6.198 17.212 1.00 31.11 H new ATOM 0 HB1 ALA A 25 8.644 -6.744 18.673 1.00 43.03 H new ATOM 0 HB2 ALA A 25 7.261 -6.121 19.605 1.00 43.03 H new ATOM 0 HB3 ALA A 25 7.614 -7.866 19.594 1.00 43.03 H new ATOM 333 N THR A 26 8.092 -7.855 15.916 1.00 51.51 N ATOM 334 CA THR A 26 8.671 -8.815 14.986 1.00 63.23 C ATOM 335 C THR A 26 10.129 -8.482 14.688 1.00 31.33 C ATOM 336 O THR A 26 10.592 -7.373 14.959 1.00 75.51 O ATOM 337 CB THR A 26 7.886 -8.859 13.661 1.00 10.33 C ATOM 338 OG1 THR A 26 8.514 -9.766 12.749 1.00 42.02 O ATOM 339 CG2 THR A 26 7.806 -7.475 13.034 1.00 33.11 C ATOM 0 H THR A 26 8.378 -6.889 15.757 1.00 51.51 H new ATOM 0 HA THR A 26 8.614 -9.792 15.466 1.00 63.23 H new ATOM 0 HB THR A 26 6.874 -9.203 13.875 1.00 10.33 H new ATOM 0 HG1 THR A 26 8.008 -9.789 11.910 1.00 42.02 H new ATOM 0 HG21 THR A 26 7.247 -7.531 12.100 1.00 33.11 H new ATOM 0 HG22 THR A 26 7.301 -6.794 13.719 1.00 33.11 H new ATOM 0 HG23 THR A 26 8.812 -7.108 12.834 1.00 33.11 H new ATOM 347 N THR A 27 10.850 -9.449 14.129 1.00 72.12 N ATOM 348 CA THR A 27 12.256 -9.259 13.795 1.00 54.41 C ATOM 349 C THR A 27 12.470 -9.280 12.286 1.00 61.02 C ATOM 350 O THR A 27 11.703 -9.899 11.549 1.00 13.41 O ATOM 351 CB THR A 27 13.139 -10.342 14.443 1.00 53.41 C ATOM 352 OG1 THR A 27 12.868 -11.615 13.847 1.00 21.43 O ATOM 353 CG2 THR A 27 12.893 -10.415 15.942 1.00 13.33 C ATOM 0 H THR A 27 10.483 -10.372 13.898 1.00 72.12 H new ATOM 0 HA THR A 27 12.545 -8.284 14.187 1.00 54.41 H new ATOM 0 HB THR A 27 14.183 -10.078 14.275 1.00 53.41 H new ATOM 0 HG1 THR A 27 13.434 -12.298 14.263 1.00 21.43 H new ATOM 0 HG21 THR A 27 13.528 -11.187 16.378 1.00 13.33 H new ATOM 0 HG22 THR A 27 13.128 -9.453 16.397 1.00 13.33 H new ATOM 0 HG23 THR A 27 11.847 -10.658 16.128 1.00 13.33 H new ATOM 361 N ALA A 28 13.519 -8.601 11.832 1.00 34.02 N ATOM 362 CA ALA A 28 13.835 -8.545 10.410 1.00 3.25 C ATOM 363 C ALA A 28 14.208 -9.924 9.876 1.00 12.41 C ATOM 364 O ALA A 28 13.750 -10.331 8.808 1.00 45.24 O ATOM 365 CB ALA A 28 14.965 -7.557 10.160 1.00 11.21 C ATOM 0 H ALA A 28 14.164 -8.082 12.428 1.00 34.02 H new ATOM 0 HA ALA A 28 12.946 -8.206 9.878 1.00 3.25 H new ATOM 0 HB1 ALA A 28 15.191 -7.525 9.094 1.00 11.21 H new ATOM 0 HB2 ALA A 28 14.663 -6.565 10.497 1.00 11.21 H new ATOM 0 HB3 ALA A 28 15.852 -7.872 10.710 1.00 11.21 H new ATOM 371 N HIS A 29 15.041 -10.638 10.625 1.00 22.44 N ATOM 372 CA HIS A 29 15.475 -11.972 10.226 1.00 23.43 C ATOM 373 C HIS A 29 14.277 -12.858 9.898 1.00 62.02 C ATOM 374 O HIS A 29 14.307 -13.628 8.937 1.00 13.33 O ATOM 375 CB HIS A 29 16.309 -12.614 11.336 1.00 43.42 C ATOM 376 CG HIS A 29 17.763 -12.258 11.275 1.00 52.45 C ATOM 377 ND1 HIS A 29 18.361 -11.383 12.157 1.00 24.40 N ATOM 378 CD2 HIS A 29 18.739 -12.665 10.430 1.00 41.30 C ATOM 379 CE1 HIS A 29 19.643 -11.267 11.857 1.00 54.21 C ATOM 380 NE2 HIS A 29 19.898 -12.035 10.813 1.00 54.41 N ATOM 0 H HIS A 29 15.429 -10.316 11.511 1.00 22.44 H new ATOM 0 HA HIS A 29 16.089 -11.874 9.331 1.00 23.43 H new ATOM 0 HB2 HIS A 29 15.909 -12.308 12.303 1.00 43.42 H new ATOM 0 HB3 HIS A 29 16.206 -13.697 11.276 1.00 43.42 H new ATOM 0 HD2 HIS A 29 18.627 -13.356 9.608 1.00 41.30 H new ATOM 0 HE1 HIS A 29 20.360 -10.649 12.377 1.00 54.21 H new ATOM 0 HE2 HIS A 29 20.808 -12.143 10.364 1.00 54.41 H new ATOM 388 N ASP A 30 13.226 -12.744 10.701 1.00 34.14 N ATOM 389 CA ASP A 30 12.017 -13.534 10.496 1.00 22.20 C ATOM 390 C ASP A 30 11.324 -13.139 9.196 1.00 13.52 C ATOM 391 O ASP A 30 10.942 -13.995 8.398 1.00 61.42 O ATOM 392 CB ASP A 30 11.059 -13.356 11.675 1.00 51.43 C ATOM 393 CG ASP A 30 10.195 -14.579 11.909 1.00 53.02 C ATOM 394 OD1 ASP A 30 9.868 -15.272 10.923 1.00 72.43 O ATOM 395 OD2 ASP A 30 9.846 -14.844 13.078 1.00 0.41 O ATOM 0 H ASP A 30 13.186 -12.112 11.501 1.00 34.14 H new ATOM 0 HA ASP A 30 12.305 -14.583 10.428 1.00 22.20 H new ATOM 0 HB2 ASP A 30 11.633 -13.142 12.577 1.00 51.43 H new ATOM 0 HB3 ASP A 30 10.419 -12.493 11.492 1.00 51.43 H new ATOM 400 N LEU A 31 11.163 -11.836 8.990 1.00 33.14 N ATOM 401 CA LEU A 31 10.514 -11.326 7.787 1.00 32.04 C ATOM 402 C LEU A 31 11.283 -11.739 6.537 1.00 63.11 C ATOM 403 O LEU A 31 10.714 -12.308 5.605 1.00 1.23 O ATOM 404 CB LEU A 31 10.403 -9.802 7.851 1.00 14.34 C ATOM 405 CG LEU A 31 9.186 -9.248 8.594 1.00 73.14 C ATOM 406 CD1 LEU A 31 9.509 -7.900 9.218 1.00 41.53 C ATOM 407 CD2 LEU A 31 7.995 -9.131 7.653 1.00 42.21 C ATOM 0 H LEU A 31 11.473 -11.114 9.640 1.00 33.14 H new ATOM 0 HA LEU A 31 9.513 -11.755 7.734 1.00 32.04 H new ATOM 0 HB2 LEU A 31 11.303 -9.412 8.327 1.00 14.34 H new ATOM 0 HB3 LEU A 31 10.388 -9.416 6.832 1.00 14.34 H new ATOM 0 HG LEU A 31 8.926 -9.942 9.394 1.00 73.14 H new ATOM 0 HD11 LEU A 31 8.631 -7.522 9.742 1.00 41.53 H new ATOM 0 HD12 LEU A 31 10.332 -8.014 9.924 1.00 41.53 H new ATOM 0 HD13 LEU A 31 9.796 -7.197 8.436 1.00 41.53 H new ATOM 0 HD21 LEU A 31 7.138 -8.735 8.198 1.00 42.21 H new ATOM 0 HD22 LEU A 31 8.245 -8.459 6.832 1.00 42.21 H new ATOM 0 HD23 LEU A 31 7.748 -10.115 7.254 1.00 42.21 H new ATOM 419 N SER A 32 12.581 -11.451 6.524 1.00 12.24 N ATOM 420 CA SER A 32 13.428 -11.791 5.388 1.00 45.23 C ATOM 421 C SER A 32 13.550 -13.304 5.234 1.00 53.11 C ATOM 422 O SER A 32 13.878 -13.806 4.160 1.00 53.45 O ATOM 423 CB SER A 32 14.817 -11.171 5.557 1.00 60.14 C ATOM 424 OG SER A 32 15.672 -12.029 6.292 1.00 64.03 O ATOM 0 H SER A 32 13.068 -10.983 7.288 1.00 12.24 H new ATOM 0 HA SER A 32 12.964 -11.388 4.488 1.00 45.23 H new ATOM 0 HB2 SER A 32 15.251 -10.972 4.577 1.00 60.14 H new ATOM 0 HB3 SER A 32 14.731 -10.212 6.069 1.00 60.14 H new ATOM 0 HG SER A 32 16.554 -11.611 6.385 1.00 64.03 H new ATOM 430 N GLY A 33 13.282 -14.026 6.318 1.00 62.12 N ATOM 431 CA GLY A 33 13.367 -15.474 6.284 1.00 73.55 C ATOM 432 C GLY A 33 12.299 -16.097 5.406 1.00 14.04 C ATOM 433 O GLY A 33 12.597 -16.920 4.540 1.00 10.25 O ATOM 0 H GLY A 33 13.008 -13.634 7.219 1.00 62.12 H new ATOM 0 HA2 GLY A 33 14.351 -15.769 5.919 1.00 73.55 H new ATOM 0 HA3 GLY A 33 13.273 -15.864 7.297 1.00 73.55 H new ATOM 437 N LYS A 34 11.049 -15.706 5.631 1.00 52.42 N ATOM 438 CA LYS A 34 9.931 -16.230 4.855 1.00 23.31 C ATOM 439 C LYS A 34 9.763 -15.457 3.551 1.00 2.33 C ATOM 440 O LYS A 34 9.523 -16.044 2.496 1.00 70.15 O ATOM 441 CB LYS A 34 8.639 -16.160 5.672 1.00 22.32 C ATOM 442 CG LYS A 34 8.568 -17.189 6.787 1.00 21.31 C ATOM 443 CD LYS A 34 8.625 -18.607 6.242 1.00 2.44 C ATOM 444 CE LYS A 34 8.264 -19.629 7.309 1.00 1.23 C ATOM 445 NZ LYS A 34 8.439 -21.025 6.822 1.00 44.13 N ATOM 0 H LYS A 34 10.785 -15.027 6.345 1.00 52.42 H new ATOM 0 HA LYS A 34 10.145 -17.271 4.614 1.00 23.31 H new ATOM 0 HB2 LYS A 34 8.545 -15.163 6.102 1.00 22.32 H new ATOM 0 HB3 LYS A 34 7.789 -16.301 5.005 1.00 22.32 H new ATOM 0 HG2 LYS A 34 9.393 -17.032 7.482 1.00 21.31 H new ATOM 0 HG3 LYS A 34 7.646 -17.052 7.352 1.00 21.31 H new ATOM 0 HD2 LYS A 34 7.940 -18.702 5.399 1.00 2.44 H new ATOM 0 HD3 LYS A 34 9.626 -18.813 5.864 1.00 2.44 H new ATOM 0 HE2 LYS A 34 8.887 -19.471 8.189 1.00 1.23 H new ATOM 0 HE3 LYS A 34 7.230 -19.480 7.620 1.00 1.23 H new ATOM 0 HZ1 LYS A 34 8.183 -21.691 7.578 1.00 44.13 H new ATOM 0 HZ2 LYS A 34 7.825 -21.185 5.998 1.00 44.13 H new ATOM 0 HZ3 LYS A 34 9.431 -21.176 6.549 1.00 44.13 H new ATOM 459 N LEU A 35 9.892 -14.137 3.631 1.00 62.01 N ATOM 460 CA LEU A 35 9.756 -13.283 2.456 1.00 2.33 C ATOM 461 C LEU A 35 10.911 -13.504 1.485 1.00 23.21 C ATOM 462 O LEU A 35 10.803 -13.205 0.297 1.00 74.43 O ATOM 463 CB LEU A 35 9.701 -11.812 2.874 1.00 22.34 C ATOM 464 CG LEU A 35 8.578 -11.430 3.839 1.00 23.45 C ATOM 465 CD1 LEU A 35 8.790 -10.023 4.375 1.00 41.45 C ATOM 466 CD2 LEU A 35 7.224 -11.544 3.154 1.00 24.43 C ATOM 0 H LEU A 35 10.090 -13.635 4.497 1.00 62.01 H new ATOM 0 HA LEU A 35 8.826 -13.547 1.952 1.00 2.33 H new ATOM 0 HB2 LEU A 35 10.654 -11.550 3.335 1.00 22.34 H new ATOM 0 HB3 LEU A 35 9.603 -11.203 1.975 1.00 22.34 H new ATOM 0 HG LEU A 35 8.596 -12.123 4.680 1.00 23.45 H new ATOM 0 HD11 LEU A 35 7.981 -9.769 5.060 1.00 41.45 H new ATOM 0 HD12 LEU A 35 9.742 -9.975 4.904 1.00 41.45 H new ATOM 0 HD13 LEU A 35 8.799 -9.315 3.546 1.00 41.45 H new ATOM 0 HD21 LEU A 35 6.437 -11.268 3.856 1.00 24.43 H new ATOM 0 HD22 LEU A 35 7.194 -10.875 2.294 1.00 24.43 H new ATOM 0 HD23 LEU A 35 7.070 -12.570 2.821 1.00 24.43 H new ATOM 478 N GLY A 36 12.018 -14.033 2.000 1.00 53.52 N ATOM 479 CA GLY A 36 13.176 -14.287 1.164 1.00 63.40 C ATOM 480 C GLY A 36 13.752 -13.018 0.568 1.00 11.12 C ATOM 481 O GLY A 36 14.462 -13.061 -0.437 1.00 5.42 O ATOM 0 H GLY A 36 12.132 -14.290 2.981 1.00 53.52 H new ATOM 0 HA2 GLY A 36 13.943 -14.788 1.754 1.00 63.40 H new ATOM 0 HA3 GLY A 36 12.897 -14.968 0.360 1.00 63.40 H new ATOM 485 N THR A 37 13.444 -11.883 1.188 1.00 40.42 N ATOM 486 CA THR A 37 13.933 -10.595 0.711 1.00 10.03 C ATOM 487 C THR A 37 15.300 -10.273 1.303 1.00 3.12 C ATOM 488 O THR A 37 15.701 -10.815 2.333 1.00 21.41 O ATOM 489 CB THR A 37 12.954 -9.458 1.061 1.00 61.12 C ATOM 490 OG1 THR A 37 12.250 -9.771 2.268 1.00 62.53 O ATOM 491 CG2 THR A 37 11.960 -9.234 -0.069 1.00 11.25 C ATOM 0 H THR A 37 12.858 -11.830 2.021 1.00 40.42 H new ATOM 0 HA THR A 37 14.018 -10.671 -0.373 1.00 10.03 H new ATOM 0 HB THR A 37 13.530 -8.544 1.204 1.00 61.12 H new ATOM 0 HG1 THR A 37 11.631 -9.042 2.484 1.00 62.53 H new ATOM 0 HG21 THR A 37 11.279 -8.427 0.200 1.00 11.25 H new ATOM 0 HG22 THR A 37 12.498 -8.967 -0.979 1.00 11.25 H new ATOM 0 HG23 THR A 37 11.391 -10.148 -0.239 1.00 11.25 H new ATOM 499 N PRO A 38 16.035 -9.368 0.639 1.00 22.33 N ATOM 500 CA PRO A 38 17.369 -8.953 1.083 1.00 41.41 C ATOM 501 C PRO A 38 17.322 -8.122 2.361 1.00 43.55 C ATOM 502 O PRO A 38 16.538 -7.179 2.472 1.00 20.02 O ATOM 503 CB PRO A 38 17.884 -8.109 -0.085 1.00 44.55 C ATOM 504 CG PRO A 38 16.655 -7.603 -0.759 1.00 3.25 C ATOM 505 CD PRO A 38 15.620 -8.681 -0.595 1.00 63.33 C ATOM 0 HA PRO A 38 18.003 -9.807 1.322 1.00 41.41 H new ATOM 0 HB2 PRO A 38 18.510 -7.288 0.266 1.00 44.55 H new ATOM 0 HB3 PRO A 38 18.492 -8.705 -0.766 1.00 44.55 H new ATOM 0 HG2 PRO A 38 16.320 -6.668 -0.309 1.00 3.25 H new ATOM 0 HG3 PRO A 38 16.843 -7.400 -1.813 1.00 3.25 H new ATOM 0 HD2 PRO A 38 14.617 -8.264 -0.505 1.00 63.33 H new ATOM 0 HD3 PRO A 38 15.608 -9.360 -1.448 1.00 63.33 H new ATOM 513 N LYS A 39 18.167 -8.476 3.323 1.00 61.12 N ATOM 514 CA LYS A 39 18.224 -7.762 4.593 1.00 61.41 C ATOM 515 C LYS A 39 18.405 -6.265 4.368 1.00 41.43 C ATOM 516 O LYS A 39 17.818 -5.445 5.074 1.00 41.40 O ATOM 517 CB LYS A 39 19.369 -8.301 5.453 1.00 21.54 C ATOM 518 CG LYS A 39 19.320 -9.806 5.658 1.00 41.31 C ATOM 519 CD LYS A 39 20.022 -10.217 6.941 1.00 21.22 C ATOM 520 CE LYS A 39 21.532 -10.252 6.764 1.00 43.40 C ATOM 521 NZ LYS A 39 21.995 -11.550 6.200 1.00 2.21 N ATOM 0 H LYS A 39 18.822 -9.254 3.247 1.00 61.12 H new ATOM 0 HA LYS A 39 17.280 -7.922 5.114 1.00 61.41 H new ATOM 0 HB2 LYS A 39 20.318 -8.037 4.986 1.00 21.54 H new ATOM 0 HB3 LYS A 39 19.344 -7.809 6.425 1.00 21.54 H new ATOM 0 HG2 LYS A 39 18.282 -10.136 5.688 1.00 41.31 H new ATOM 0 HG3 LYS A 39 19.789 -10.305 4.810 1.00 41.31 H new ATOM 0 HD2 LYS A 39 19.764 -9.519 7.738 1.00 21.22 H new ATOM 0 HD3 LYS A 39 19.668 -11.200 7.252 1.00 21.22 H new ATOM 0 HE2 LYS A 39 21.839 -9.440 6.105 1.00 43.40 H new ATOM 0 HE3 LYS A 39 22.014 -10.082 7.726 1.00 43.40 H new ATOM 0 HZ1 LYS A 39 23.030 -11.534 6.095 1.00 2.21 H new ATOM 0 HZ2 LYS A 39 21.724 -12.323 6.841 1.00 2.21 H new ATOM 0 HZ3 LYS A 39 21.555 -11.701 5.270 1.00 2.21 H new ATOM 535 N LYS A 40 19.220 -5.914 3.379 1.00 40.14 N ATOM 536 CA LYS A 40 19.477 -4.515 3.058 1.00 54.14 C ATOM 537 C LYS A 40 18.175 -3.777 2.760 1.00 70.41 C ATOM 538 O LYS A 40 18.106 -2.554 2.868 1.00 4.32 O ATOM 539 CB LYS A 40 20.420 -4.410 1.857 1.00 23.54 C ATOM 540 CG LYS A 40 21.768 -5.073 2.084 1.00 3.32 C ATOM 541 CD LYS A 40 22.637 -4.259 3.028 1.00 25.24 C ATOM 542 CE LYS A 40 22.498 -4.738 4.465 1.00 4.55 C ATOM 543 NZ LYS A 40 23.489 -5.799 4.795 1.00 25.01 N ATOM 0 H LYS A 40 19.714 -6.580 2.785 1.00 40.14 H new ATOM 0 HA LYS A 40 19.948 -4.051 3.924 1.00 54.14 H new ATOM 0 HB2 LYS A 40 19.942 -4.865 0.989 1.00 23.54 H new ATOM 0 HB3 LYS A 40 20.577 -3.358 1.620 1.00 23.54 H new ATOM 0 HG2 LYS A 40 21.619 -6.072 2.495 1.00 3.32 H new ATOM 0 HG3 LYS A 40 22.280 -5.194 1.130 1.00 3.32 H new ATOM 0 HD2 LYS A 40 23.680 -4.331 2.718 1.00 25.24 H new ATOM 0 HD3 LYS A 40 22.358 -3.207 2.965 1.00 25.24 H new ATOM 0 HE2 LYS A 40 22.630 -3.895 5.143 1.00 4.55 H new ATOM 0 HE3 LYS A 40 21.490 -5.121 4.624 1.00 4.55 H new ATOM 0 HZ1 LYS A 40 23.361 -6.098 5.783 1.00 25.01 H new ATOM 0 HZ2 LYS A 40 23.347 -6.614 4.165 1.00 25.01 H new ATOM 0 HZ3 LYS A 40 24.452 -5.427 4.668 1.00 25.01 H new ATOM 557 N GLU A 41 17.145 -4.531 2.386 1.00 3.31 N ATOM 558 CA GLU A 41 15.846 -3.947 2.074 1.00 41.21 C ATOM 559 C GLU A 41 15.019 -3.752 3.341 1.00 14.11 C ATOM 560 O GLU A 41 14.710 -2.624 3.726 1.00 52.41 O ATOM 561 CB GLU A 41 15.086 -4.836 1.087 1.00 4.22 C ATOM 562 CG GLU A 41 13.688 -4.335 0.769 1.00 52.33 C ATOM 563 CD GLU A 41 12.643 -4.871 1.728 1.00 4.25 C ATOM 564 OE1 GLU A 41 12.312 -6.071 1.634 1.00 61.33 O ATOM 565 OE2 GLU A 41 12.157 -4.091 2.574 1.00 43.34 O ATOM 0 H GLU A 41 17.185 -5.546 2.292 1.00 3.31 H new ATOM 0 HA GLU A 41 16.015 -2.972 1.617 1.00 41.21 H new ATOM 0 HB2 GLU A 41 15.657 -4.907 0.161 1.00 4.22 H new ATOM 0 HB3 GLU A 41 15.017 -5.844 1.497 1.00 4.22 H new ATOM 0 HG2 GLU A 41 13.681 -3.246 0.802 1.00 52.33 H new ATOM 0 HG3 GLU A 41 13.425 -4.625 -0.248 1.00 52.33 H new ATOM 572 N ILE A 42 14.663 -4.859 3.984 1.00 13.23 N ATOM 573 CA ILE A 42 13.872 -4.810 5.208 1.00 72.14 C ATOM 574 C ILE A 42 14.564 -3.971 6.276 1.00 13.15 C ATOM 575 O ILE A 42 13.918 -3.447 7.183 1.00 34.25 O ATOM 576 CB ILE A 42 13.613 -6.221 5.767 1.00 33.41 C ATOM 577 CG1 ILE A 42 14.851 -7.101 5.584 1.00 30.43 C ATOM 578 CG2 ILE A 42 12.406 -6.848 5.085 1.00 34.03 C ATOM 579 CD1 ILE A 42 14.718 -8.106 4.461 1.00 32.23 C ATOM 0 H ILE A 42 14.909 -5.800 3.678 1.00 13.23 H new ATOM 0 HA ILE A 42 12.918 -4.350 4.950 1.00 72.14 H new ATOM 0 HB ILE A 42 13.402 -6.140 6.833 1.00 33.41 H new ATOM 0 HG12 ILE A 42 15.714 -6.464 5.390 1.00 30.43 H new ATOM 0 HG13 ILE A 42 15.050 -7.633 6.515 1.00 30.43 H new ATOM 0 HG21 ILE A 42 12.236 -7.845 5.491 1.00 34.03 H new ATOM 0 HG22 ILE A 42 11.526 -6.229 5.262 1.00 34.03 H new ATOM 0 HG23 ILE A 42 12.590 -6.919 4.013 1.00 34.03 H new ATOM 0 HD11 ILE A 42 15.633 -8.695 4.389 1.00 32.23 H new ATOM 0 HD12 ILE A 42 13.875 -8.767 4.663 1.00 32.23 H new ATOM 0 HD13 ILE A 42 14.550 -7.581 3.521 1.00 32.23 H new ATOM 591 N ALA A 43 15.882 -3.846 6.162 1.00 72.13 N ATOM 592 CA ALA A 43 16.661 -3.067 7.116 1.00 63.13 C ATOM 593 C ALA A 43 16.562 -1.575 6.818 1.00 53.04 C ATOM 594 O ALA A 43 16.763 -0.741 7.701 1.00 63.24 O ATOM 595 CB ALA A 43 18.115 -3.515 7.099 1.00 5.33 C ATOM 0 H ALA A 43 16.433 -4.274 5.418 1.00 72.13 H new ATOM 0 HA ALA A 43 16.250 -3.240 8.111 1.00 63.13 H new ATOM 0 HB1 ALA A 43 18.686 -2.925 7.816 1.00 5.33 H new ATOM 0 HB2 ALA A 43 18.174 -4.570 7.368 1.00 5.33 H new ATOM 0 HB3 ALA A 43 18.528 -3.372 6.101 1.00 5.33 H new ATOM 601 N ARG A 44 16.250 -1.245 5.568 1.00 25.43 N ATOM 602 CA ARG A 44 16.126 0.147 5.154 1.00 63.23 C ATOM 603 C ARG A 44 14.719 0.671 5.425 1.00 43.40 C ATOM 604 O ARG A 44 14.541 1.819 5.832 1.00 1.35 O ATOM 605 CB ARG A 44 16.458 0.290 3.667 1.00 12.12 C ATOM 606 CG ARG A 44 17.396 1.446 3.361 1.00 53.20 C ATOM 607 CD ARG A 44 18.840 1.091 3.679 1.00 12.32 C ATOM 608 NE ARG A 44 19.779 2.049 3.102 1.00 52.31 N ATOM 609 CZ ARG A 44 21.081 2.051 3.364 1.00 0.32 C ATOM 610 NH1 ARG A 44 21.596 1.151 4.190 1.00 73.52 N ATOM 611 NH2 ARG A 44 21.871 2.955 2.800 1.00 44.52 N ATOM 0 H ARG A 44 16.079 -1.923 4.825 1.00 25.43 H new ATOM 0 HA ARG A 44 16.833 0.738 5.736 1.00 63.23 H new ATOM 0 HB2 ARG A 44 16.910 -0.637 3.314 1.00 12.12 H new ATOM 0 HB3 ARG A 44 15.532 0.427 3.108 1.00 12.12 H new ATOM 0 HG2 ARG A 44 17.310 1.717 2.309 1.00 53.20 H new ATOM 0 HG3 ARG A 44 17.099 2.320 3.940 1.00 53.20 H new ATOM 0 HD2 ARG A 44 18.975 1.057 4.760 1.00 12.32 H new ATOM 0 HD3 ARG A 44 19.060 0.094 3.299 1.00 12.32 H new ATOM 0 HE ARG A 44 19.415 2.755 2.463 1.00 52.31 H new ATOM 0 HH11 ARG A 44 20.992 0.454 4.626 1.00 73.52 H new ATOM 0 HH12 ARG A 44 22.596 1.155 4.389 1.00 73.52 H new ATOM 0 HH21 ARG A 44 21.479 3.650 2.164 1.00 44.52 H new ATOM 0 HH22 ARG A 44 22.871 2.956 3.002 1.00 44.52 H new ATOM 625 N VAL A 45 13.722 -0.177 5.195 1.00 23.45 N ATOM 626 CA VAL A 45 12.331 0.200 5.415 1.00 22.24 C ATOM 627 C VAL A 45 12.024 0.325 6.903 1.00 4.15 C ATOM 628 O VAL A 45 11.247 1.186 7.318 1.00 31.21 O ATOM 629 CB VAL A 45 11.366 -0.824 4.788 1.00 43.31 C ATOM 630 CG1 VAL A 45 11.568 -2.198 5.408 1.00 63.04 C ATOM 631 CG2 VAL A 45 9.925 -0.364 4.948 1.00 30.21 C ATOM 0 H VAL A 45 13.852 -1.130 4.856 1.00 23.45 H new ATOM 0 HA VAL A 45 12.186 1.167 4.934 1.00 22.24 H new ATOM 0 HB VAL A 45 11.584 -0.898 3.723 1.00 43.31 H new ATOM 0 HG11 VAL A 45 10.878 -2.908 4.952 1.00 63.04 H new ATOM 0 HG12 VAL A 45 12.593 -2.527 5.237 1.00 63.04 H new ATOM 0 HG13 VAL A 45 11.379 -2.145 6.480 1.00 63.04 H new ATOM 0 HG21 VAL A 45 9.257 -1.099 4.500 1.00 30.21 H new ATOM 0 HG22 VAL A 45 9.692 -0.260 6.008 1.00 30.21 H new ATOM 0 HG23 VAL A 45 9.793 0.597 4.452 1.00 30.21 H new ATOM 641 N LEU A 46 12.640 -0.538 7.703 1.00 22.44 N ATOM 642 CA LEU A 46 12.434 -0.525 9.148 1.00 51.35 C ATOM 643 C LEU A 46 13.024 0.737 9.770 1.00 74.21 C ATOM 644 O LEU A 46 12.449 1.312 10.694 1.00 51.15 O ATOM 645 CB LEU A 46 13.065 -1.764 9.784 1.00 33.24 C ATOM 646 CG LEU A 46 13.244 -1.721 11.302 1.00 21.33 C ATOM 647 CD1 LEU A 46 13.067 -3.108 11.900 1.00 31.41 C ATOM 648 CD2 LEU A 46 14.609 -1.154 11.662 1.00 4.22 C ATOM 0 H LEU A 46 13.287 -1.256 7.376 1.00 22.44 H new ATOM 0 HA LEU A 46 11.361 -0.534 9.338 1.00 51.35 H new ATOM 0 HB2 LEU A 46 12.450 -2.629 9.535 1.00 33.24 H new ATOM 0 HB3 LEU A 46 14.042 -1.925 9.327 1.00 33.24 H new ATOM 0 HG LEU A 46 12.479 -1.067 11.720 1.00 21.33 H new ATOM 0 HD11 LEU A 46 13.198 -3.058 12.981 1.00 31.41 H new ATOM 0 HD12 LEU A 46 12.067 -3.477 11.672 1.00 31.41 H new ATOM 0 HD13 LEU A 46 13.809 -3.785 11.476 1.00 31.41 H new ATOM 0 HD21 LEU A 46 14.719 -1.131 12.746 1.00 4.22 H new ATOM 0 HD22 LEU A 46 15.389 -1.782 11.232 1.00 4.22 H new ATOM 0 HD23 LEU A 46 14.699 -0.142 11.267 1.00 4.22 H new ATOM 660 N ALA A 47 14.173 1.162 9.256 1.00 50.31 N ATOM 661 CA ALA A 47 14.838 2.358 9.758 1.00 2.03 C ATOM 662 C ALA A 47 14.131 3.622 9.281 1.00 74.43 C ATOM 663 O ALA A 47 14.207 4.668 9.924 1.00 13.04 O ATOM 664 CB ALA A 47 16.297 2.372 9.325 1.00 33.12 C ATOM 0 H ALA A 47 14.663 0.696 8.492 1.00 50.31 H new ATOM 0 HA ALA A 47 14.793 2.338 10.847 1.00 2.03 H new ATOM 0 HB1 ALA A 47 16.781 3.271 9.707 1.00 33.12 H new ATOM 0 HB2 ALA A 47 16.803 1.491 9.721 1.00 33.12 H new ATOM 0 HB3 ALA A 47 16.354 2.364 8.236 1.00 33.12 H new ATOM 670 N SER A 48 13.443 3.517 8.148 1.00 41.11 N ATOM 671 CA SER A 48 12.725 4.653 7.582 1.00 45.23 C ATOM 672 C SER A 48 11.351 4.803 8.226 1.00 54.11 C ATOM 673 O SER A 48 10.937 5.907 8.584 1.00 32.52 O ATOM 674 CB SER A 48 12.577 4.487 6.068 1.00 33.42 C ATOM 675 OG SER A 48 12.249 5.718 5.449 1.00 14.43 O ATOM 0 H SER A 48 13.368 2.657 7.604 1.00 41.11 H new ATOM 0 HA SER A 48 13.302 5.555 7.786 1.00 45.23 H new ATOM 0 HB2 SER A 48 13.507 4.102 5.649 1.00 33.42 H new ATOM 0 HB3 SER A 48 11.802 3.751 5.854 1.00 33.42 H new ATOM 0 HG SER A 48 12.162 5.585 4.482 1.00 14.43 H new ATOM 681 N LEU A 49 10.647 3.686 8.370 1.00 20.40 N ATOM 682 CA LEU A 49 9.318 3.690 8.971 1.00 12.51 C ATOM 683 C LEU A 49 9.367 4.231 10.397 1.00 71.33 C ATOM 684 O LEU A 49 8.609 5.131 10.756 1.00 32.13 O ATOM 685 CB LEU A 49 8.730 2.278 8.969 1.00 43.23 C ATOM 686 CG LEU A 49 7.636 2.008 7.935 1.00 2.12 C ATOM 687 CD1 LEU A 49 8.022 2.592 6.585 1.00 72.22 C ATOM 688 CD2 LEU A 49 7.372 0.514 7.817 1.00 53.25 C ATOM 0 H LEU A 49 10.975 2.765 8.079 1.00 20.40 H new ATOM 0 HA LEU A 49 8.680 4.343 8.376 1.00 12.51 H new ATOM 0 HB2 LEU A 49 9.541 1.569 8.804 1.00 43.23 H new ATOM 0 HB3 LEU A 49 8.324 2.074 9.960 1.00 43.23 H new ATOM 0 HG LEU A 49 6.719 2.494 8.268 1.00 2.12 H new ATOM 0 HD11 LEU A 49 7.232 2.390 5.862 1.00 72.22 H new ATOM 0 HD12 LEU A 49 8.160 3.669 6.681 1.00 72.22 H new ATOM 0 HD13 LEU A 49 8.951 2.136 6.244 1.00 72.22 H new ATOM 0 HD21 LEU A 49 6.591 0.340 7.077 1.00 53.25 H new ATOM 0 HD22 LEU A 49 8.285 0.007 7.507 1.00 53.25 H new ATOM 0 HD23 LEU A 49 7.050 0.124 8.783 1.00 53.25 H new ATOM 700 N ALA A 50 10.266 3.676 11.204 1.00 54.14 N ATOM 701 CA ALA A 50 10.417 4.105 12.588 1.00 13.14 C ATOM 702 C ALA A 50 10.806 5.577 12.668 1.00 51.43 C ATOM 703 O ALA A 50 10.667 6.212 13.714 1.00 71.23 O ATOM 704 CB ALA A 50 11.452 3.245 13.298 1.00 71.45 C ATOM 0 H ALA A 50 10.900 2.928 10.922 1.00 54.14 H new ATOM 0 HA ALA A 50 9.455 3.983 13.086 1.00 13.14 H new ATOM 0 HB1 ALA A 50 11.554 3.577 14.331 1.00 71.45 H new ATOM 0 HB2 ALA A 50 11.132 2.203 13.282 1.00 71.45 H new ATOM 0 HB3 ALA A 50 12.412 3.338 12.790 1.00 71.45 H new ATOM 710 N LYS A 51 11.295 6.116 11.556 1.00 72.12 N ATOM 711 CA LYS A 51 11.704 7.514 11.498 1.00 2.23 C ATOM 712 C LYS A 51 10.507 8.421 11.234 1.00 13.33 C ATOM 713 O LYS A 51 10.418 9.523 11.776 1.00 40.52 O ATOM 714 CB LYS A 51 12.759 7.714 10.407 1.00 31.34 C ATOM 715 CG LYS A 51 13.374 9.102 10.403 1.00 42.40 C ATOM 716 CD LYS A 51 14.523 9.206 11.392 1.00 41.40 C ATOM 717 CE LYS A 51 15.599 10.161 10.898 1.00 62.02 C ATOM 718 NZ LYS A 51 16.267 9.655 9.667 1.00 23.51 N ATOM 0 H LYS A 51 11.418 5.605 10.682 1.00 72.12 H new ATOM 0 HA LYS A 51 12.134 7.781 12.464 1.00 2.23 H new ATOM 0 HB2 LYS A 51 13.550 6.976 10.539 1.00 31.34 H new ATOM 0 HB3 LYS A 51 12.304 7.524 9.435 1.00 31.34 H new ATOM 0 HG2 LYS A 51 13.732 9.339 9.401 1.00 42.40 H new ATOM 0 HG3 LYS A 51 12.611 9.840 10.652 1.00 42.40 H new ATOM 0 HD2 LYS A 51 14.145 9.549 12.355 1.00 41.40 H new ATOM 0 HD3 LYS A 51 14.957 8.219 11.552 1.00 41.40 H new ATOM 0 HE2 LYS A 51 15.155 11.135 10.696 1.00 62.02 H new ATOM 0 HE3 LYS A 51 16.343 10.306 11.681 1.00 62.02 H new ATOM 0 HZ1 LYS A 51 17.239 10.023 9.623 1.00 23.51 H new ATOM 0 HZ2 LYS A 51 16.291 8.615 9.687 1.00 23.51 H new ATOM 0 HZ3 LYS A 51 15.738 9.973 8.830 1.00 23.51 H new ATOM 732 N LYS A 52 9.586 7.950 10.400 1.00 41.31 N ATOM 733 CA LYS A 52 8.392 8.717 10.066 1.00 53.03 C ATOM 734 C LYS A 52 7.405 8.721 11.229 1.00 53.13 C ATOM 735 O LYS A 52 6.515 9.568 11.297 1.00 32.33 O ATOM 736 CB LYS A 52 7.722 8.139 8.817 1.00 64.11 C ATOM 737 CG LYS A 52 7.054 6.795 9.052 1.00 52.52 C ATOM 738 CD LYS A 52 5.822 6.625 8.178 1.00 1.24 C ATOM 739 CE LYS A 52 4.709 7.575 8.593 1.00 41.40 C ATOM 740 NZ LYS A 52 4.129 8.293 7.424 1.00 14.14 N ATOM 0 H LYS A 52 9.644 7.040 9.943 1.00 41.31 H new ATOM 0 HA LYS A 52 8.695 9.745 9.866 1.00 53.03 H new ATOM 0 HB2 LYS A 52 6.977 8.847 8.454 1.00 64.11 H new ATOM 0 HB3 LYS A 52 8.469 8.031 8.031 1.00 64.11 H new ATOM 0 HG2 LYS A 52 7.763 5.994 8.843 1.00 52.52 H new ATOM 0 HG3 LYS A 52 6.772 6.706 10.101 1.00 52.52 H new ATOM 0 HD2 LYS A 52 6.086 6.805 7.136 1.00 1.24 H new ATOM 0 HD3 LYS A 52 5.467 5.596 8.243 1.00 1.24 H new ATOM 0 HE2 LYS A 52 3.924 7.015 9.101 1.00 41.40 H new ATOM 0 HE3 LYS A 52 5.098 8.300 9.308 1.00 41.40 H new ATOM 0 HZ1 LYS A 52 3.374 8.931 7.748 1.00 14.14 H new ATOM 0 HZ2 LYS A 52 4.872 8.848 6.953 1.00 14.14 H new ATOM 0 HZ3 LYS A 52 3.735 7.603 6.753 1.00 14.14 H new ATOM 754 N GLY A 53 7.570 7.769 12.143 1.00 53.44 N ATOM 755 CA GLY A 53 6.687 7.683 13.291 1.00 73.30 C ATOM 756 C GLY A 53 5.614 6.626 13.119 1.00 55.23 C ATOM 757 O GLY A 53 4.578 6.667 13.784 1.00 43.21 O ATOM 0 H GLY A 53 8.299 7.056 12.109 1.00 53.44 H new ATOM 0 HA2 GLY A 53 7.274 7.459 14.181 1.00 73.30 H new ATOM 0 HA3 GLY A 53 6.215 8.652 13.456 1.00 73.30 H new ATOM 761 N LYS A 54 5.859 5.677 12.222 1.00 73.10 N ATOM 762 CA LYS A 54 4.906 4.604 11.963 1.00 52.24 C ATOM 763 C LYS A 54 5.351 3.307 12.631 1.00 43.33 C ATOM 764 O LYS A 54 4.530 2.444 12.944 1.00 40.40 O ATOM 765 CB LYS A 54 4.749 4.386 10.456 1.00 42.51 C ATOM 766 CG LYS A 54 3.805 3.251 10.100 1.00 23.23 C ATOM 767 CD LYS A 54 2.368 3.586 10.463 1.00 23.21 C ATOM 768 CE LYS A 54 1.754 4.558 9.467 1.00 22.04 C ATOM 769 NZ LYS A 54 1.336 3.876 8.212 1.00 62.44 N ATOM 0 H LYS A 54 6.710 5.629 11.662 1.00 73.10 H new ATOM 0 HA LYS A 54 3.944 4.897 12.384 1.00 52.24 H new ATOM 0 HB2 LYS A 54 4.385 5.307 10.000 1.00 42.51 H new ATOM 0 HB3 LYS A 54 5.728 4.182 10.023 1.00 42.51 H new ATOM 0 HG2 LYS A 54 3.872 3.042 9.032 1.00 23.23 H new ATOM 0 HG3 LYS A 54 4.111 2.345 10.622 1.00 23.23 H new ATOM 0 HD2 LYS A 54 1.776 2.671 10.492 1.00 23.21 H new ATOM 0 HD3 LYS A 54 2.336 4.019 11.463 1.00 23.21 H new ATOM 0 HE2 LYS A 54 0.891 5.045 9.920 1.00 22.04 H new ATOM 0 HE3 LYS A 54 2.475 5.341 9.232 1.00 22.04 H new ATOM 0 HZ1 LYS A 54 0.923 4.572 7.560 1.00 62.44 H new ATOM 0 HZ2 LYS A 54 2.164 3.432 7.766 1.00 62.44 H new ATOM 0 HZ3 LYS A 54 0.629 3.146 8.433 1.00 62.44 H new ATOM 783 N LEU A 55 6.655 3.177 12.847 1.00 23.45 N ATOM 784 CA LEU A 55 7.210 1.985 13.480 1.00 1.14 C ATOM 785 C LEU A 55 7.962 2.347 14.757 1.00 32.35 C ATOM 786 O LEU A 55 8.141 3.523 15.070 1.00 4.25 O ATOM 787 CB LEU A 55 8.146 1.258 12.513 1.00 53.22 C ATOM 788 CG LEU A 55 7.487 0.245 11.576 1.00 40.33 C ATOM 789 CD1 LEU A 55 7.114 -1.019 12.334 1.00 61.34 C ATOM 790 CD2 LEU A 55 6.260 0.853 10.912 1.00 71.35 C ATOM 0 H LEU A 55 7.348 3.881 12.594 1.00 23.45 H new ATOM 0 HA LEU A 55 6.383 1.324 13.741 1.00 1.14 H new ATOM 0 HB2 LEU A 55 8.660 2.004 11.906 1.00 53.22 H new ATOM 0 HB3 LEU A 55 8.908 0.741 13.096 1.00 53.22 H new ATOM 0 HG LEU A 55 8.202 -0.021 10.798 1.00 40.33 H new ATOM 0 HD11 LEU A 55 6.646 -1.728 11.651 1.00 61.34 H new ATOM 0 HD12 LEU A 55 8.012 -1.465 12.762 1.00 61.34 H new ATOM 0 HD13 LEU A 55 6.416 -0.771 13.134 1.00 61.34 H new ATOM 0 HD21 LEU A 55 5.804 0.118 10.249 1.00 71.35 H new ATOM 0 HD22 LEU A 55 5.541 1.148 11.676 1.00 71.35 H new ATOM 0 HD23 LEU A 55 6.555 1.729 10.335 1.00 71.35 H new ATOM 802 N GLN A 56 8.400 1.327 15.489 1.00 51.10 N ATOM 803 CA GLN A 56 9.134 1.539 16.731 1.00 33.51 C ATOM 804 C GLN A 56 10.173 0.442 16.943 1.00 53.41 C ATOM 805 O GLN A 56 9.833 -0.697 17.264 1.00 51.34 O ATOM 806 CB GLN A 56 8.169 1.579 17.917 1.00 11.15 C ATOM 807 CG GLN A 56 7.661 2.975 18.241 1.00 74.12 C ATOM 808 CD GLN A 56 8.777 3.932 18.608 1.00 2.04 C ATOM 809 OE1 GLN A 56 9.638 3.614 19.430 1.00 53.11 O ATOM 810 NE2 GLN A 56 8.770 5.112 18.000 1.00 13.53 N ATOM 0 H GLN A 56 8.259 0.347 15.244 1.00 51.10 H new ATOM 0 HA GLN A 56 9.651 2.496 16.660 1.00 33.51 H new ATOM 0 HB2 GLN A 56 7.318 0.932 17.704 1.00 11.15 H new ATOM 0 HB3 GLN A 56 8.669 1.170 18.795 1.00 11.15 H new ATOM 0 HG2 GLN A 56 7.118 3.368 17.381 1.00 74.12 H new ATOM 0 HG3 GLN A 56 6.952 2.917 19.066 1.00 74.12 H new ATOM 0 HE21 GLN A 56 8.038 5.334 17.326 1.00 13.53 H new ATOM 0 HE22 GLN A 56 9.497 5.797 18.207 1.00 13.53 H new ATOM 819 N LYS A 57 11.441 0.793 16.761 1.00 42.50 N ATOM 820 CA LYS A 57 12.531 -0.159 16.933 1.00 65.34 C ATOM 821 C LYS A 57 12.871 -0.338 18.409 1.00 35.10 C ATOM 822 O LYS A 57 13.172 0.629 19.107 1.00 43.52 O ATOM 823 CB LYS A 57 13.771 0.309 16.167 1.00 51.11 C ATOM 824 CG LYS A 57 14.311 1.647 16.643 1.00 33.42 C ATOM 825 CD LYS A 57 15.414 2.159 15.733 1.00 63.31 C ATOM 826 CE LYS A 57 14.846 2.870 14.514 1.00 5.45 C ATOM 827 NZ LYS A 57 14.782 1.973 13.328 1.00 42.02 N ATOM 0 H LYS A 57 11.739 1.731 16.494 1.00 42.50 H new ATOM 0 HA LYS A 57 12.206 -1.120 16.534 1.00 65.34 H new ATOM 0 HB2 LYS A 57 14.553 -0.444 16.264 1.00 51.11 H new ATOM 0 HB3 LYS A 57 13.527 0.381 15.107 1.00 51.11 H new ATOM 0 HG2 LYS A 57 13.501 2.375 16.679 1.00 33.42 H new ATOM 0 HG3 LYS A 57 14.694 1.545 17.658 1.00 33.42 H new ATOM 0 HD2 LYS A 57 16.057 2.843 16.288 1.00 63.31 H new ATOM 0 HD3 LYS A 57 16.038 1.325 15.411 1.00 63.31 H new ATOM 0 HE2 LYS A 57 13.847 3.241 14.743 1.00 5.45 H new ATOM 0 HE3 LYS A 57 15.462 3.738 14.280 1.00 5.45 H new ATOM 0 HZ1 LYS A 57 15.592 2.164 12.704 1.00 42.02 H new ATOM 0 HZ2 LYS A 57 14.813 0.982 13.641 1.00 42.02 H new ATOM 0 HZ3 LYS A 57 13.897 2.145 12.810 1.00 42.02 H new ATOM 841 N GLU A 58 12.820 -1.581 18.877 1.00 33.31 N ATOM 842 CA GLU A 58 13.122 -1.885 20.271 1.00 64.12 C ATOM 843 C GLU A 58 14.571 -2.340 20.426 1.00 34.52 C ATOM 844 O GLU A 58 14.871 -3.531 20.338 1.00 11.44 O ATOM 845 CB GLU A 58 12.177 -2.967 20.797 1.00 12.21 C ATOM 846 CG GLU A 58 11.478 -2.587 22.092 1.00 53.25 C ATOM 847 CD GLU A 58 10.157 -3.308 22.275 1.00 73.33 C ATOM 848 OE1 GLU A 58 9.297 -3.208 21.375 1.00 53.44 O ATOM 849 OE2 GLU A 58 9.983 -3.973 23.317 1.00 34.12 O ATOM 0 H GLU A 58 12.573 -2.393 18.312 1.00 33.31 H new ATOM 0 HA GLU A 58 12.980 -0.975 20.854 1.00 64.12 H new ATOM 0 HB2 GLU A 58 11.425 -3.182 20.037 1.00 12.21 H new ATOM 0 HB3 GLU A 58 12.742 -3.886 20.955 1.00 12.21 H new ATOM 0 HG2 GLU A 58 12.132 -2.815 22.934 1.00 53.25 H new ATOM 0 HG3 GLU A 58 11.305 -1.511 22.105 1.00 53.25 H new ATOM 856 N ALA A 59 15.464 -1.384 20.657 1.00 11.01 N ATOM 857 CA ALA A 59 16.880 -1.686 20.826 1.00 12.22 C ATOM 858 C ALA A 59 17.248 -1.782 22.303 1.00 42.41 C ATOM 859 O ALA A 59 17.868 -0.876 22.858 1.00 44.30 O ATOM 860 CB ALA A 59 17.731 -0.630 20.135 1.00 34.34 C ATOM 0 H ALA A 59 15.232 -0.393 20.731 1.00 11.01 H new ATOM 0 HA ALA A 59 17.078 -2.654 20.366 1.00 12.22 H new ATOM 0 HB1 ALA A 59 18.786 -0.868 20.269 1.00 34.34 H new ATOM 0 HB2 ALA A 59 17.496 -0.612 19.071 1.00 34.34 H new ATOM 0 HB3 ALA A 59 17.521 0.348 20.569 1.00 34.34 H new ATOM 866 N GLY A 60 16.861 -2.886 22.934 1.00 10.24 N ATOM 867 CA GLY A 60 17.159 -3.079 24.342 1.00 51.34 C ATOM 868 C GLY A 60 17.133 -4.540 24.745 1.00 42.33 C ATOM 869 O GLY A 60 17.681 -5.394 24.047 1.00 31.33 O ATOM 0 H GLY A 60 16.347 -3.650 22.496 1.00 10.24 H new ATOM 0 HA2 GLY A 60 18.142 -2.662 24.563 1.00 51.34 H new ATOM 0 HA3 GLY A 60 16.436 -2.527 24.942 1.00 51.34 H new ATOM 873 N THR A 61 16.496 -4.829 25.875 1.00 25.13 N ATOM 874 CA THR A 61 16.404 -6.196 26.372 1.00 20.11 C ATOM 875 C THR A 61 15.825 -7.128 25.313 1.00 2.25 C ATOM 876 O THR A 61 16.484 -8.053 24.839 1.00 23.32 O ATOM 877 CB THR A 61 15.534 -6.275 27.641 1.00 73.25 C ATOM 878 OG1 THR A 61 14.938 -5.001 27.906 1.00 54.40 O ATOM 879 CG2 THR A 61 16.362 -6.713 28.839 1.00 43.31 C ATOM 0 H THR A 61 16.036 -4.134 26.464 1.00 25.13 H new ATOM 0 HA THR A 61 17.418 -6.513 26.616 1.00 20.11 H new ATOM 0 HB THR A 61 14.751 -7.014 27.472 1.00 73.25 H new ATOM 0 HG1 THR A 61 14.385 -5.060 28.713 1.00 54.40 H new ATOM 0 HG21 THR A 61 15.726 -6.761 29.723 1.00 43.31 H new ATOM 0 HG22 THR A 61 16.790 -7.697 28.646 1.00 43.31 H new ATOM 0 HG23 THR A 61 17.165 -5.995 29.009 1.00 43.31 H new ATOM 887 N PRO A 62 14.563 -6.880 24.932 1.00 45.11 N ATOM 888 CA PRO A 62 13.869 -7.686 23.924 1.00 54.34 C ATOM 889 C PRO A 62 14.436 -7.478 22.524 1.00 64.23 C ATOM 890 O PRO A 62 14.276 -6.421 21.913 1.00 72.42 O ATOM 891 CB PRO A 62 12.426 -7.178 23.996 1.00 23.12 C ATOM 892 CG PRO A 62 12.540 -5.788 24.521 1.00 33.51 C ATOM 893 CD PRO A 62 13.718 -5.794 25.455 1.00 2.51 C ATOM 0 HA PRO A 62 13.970 -8.754 24.116 1.00 54.34 H new ATOM 0 HB2 PRO A 62 11.951 -7.193 23.015 1.00 23.12 H new ATOM 0 HB3 PRO A 62 11.819 -7.801 24.653 1.00 23.12 H new ATOM 0 HG2 PRO A 62 12.689 -5.075 23.710 1.00 33.51 H new ATOM 0 HG3 PRO A 62 11.630 -5.492 25.043 1.00 33.51 H new ATOM 0 HD2 PRO A 62 14.242 -4.838 25.447 1.00 2.51 H new ATOM 0 HD3 PRO A 62 13.413 -5.982 26.485 1.00 2.51 H new ATOM 901 N PRO A 63 15.116 -8.510 22.001 1.00 4.52 N ATOM 902 CA PRO A 63 15.721 -8.464 20.666 1.00 30.35 C ATOM 903 C PRO A 63 14.676 -8.464 19.556 1.00 33.13 C ATOM 904 O PRO A 63 14.374 -9.506 18.973 1.00 24.40 O ATOM 905 CB PRO A 63 16.558 -9.745 20.613 1.00 41.34 C ATOM 906 CG PRO A 63 15.899 -10.669 21.577 1.00 31.02 C ATOM 907 CD PRO A 63 15.347 -9.799 22.673 1.00 60.51 C ATOM 0 HA PRO A 63 16.300 -7.553 20.511 1.00 30.35 H new ATOM 0 HB2 PRO A 63 16.573 -10.167 19.608 1.00 41.34 H new ATOM 0 HB3 PRO A 63 17.594 -9.553 20.894 1.00 41.34 H new ATOM 0 HG2 PRO A 63 15.105 -11.237 21.092 1.00 31.02 H new ATOM 0 HG3 PRO A 63 16.612 -11.392 21.974 1.00 31.02 H new ATOM 0 HD2 PRO A 63 14.425 -10.208 23.085 1.00 60.51 H new ATOM 0 HD3 PRO A 63 16.050 -9.701 23.500 1.00 60.51 H new ATOM 915 N LEU A 64 14.126 -7.290 19.268 1.00 14.23 N ATOM 916 CA LEU A 64 13.113 -7.154 18.227 1.00 44.14 C ATOM 917 C LEU A 64 12.562 -5.732 18.185 1.00 21.31 C ATOM 918 O LEU A 64 13.044 -4.848 18.893 1.00 22.43 O ATOM 919 CB LEU A 64 11.975 -8.148 18.462 1.00 72.04 C ATOM 920 CG LEU A 64 11.512 -8.309 19.910 1.00 4.22 C ATOM 921 CD1 LEU A 64 10.779 -7.061 20.378 1.00 22.20 C ATOM 922 CD2 LEU A 64 10.625 -9.537 20.054 1.00 51.44 C ATOM 0 H LEU A 64 14.364 -6.418 19.741 1.00 14.23 H new ATOM 0 HA LEU A 64 13.583 -7.370 17.267 1.00 44.14 H new ATOM 0 HB2 LEU A 64 11.120 -7.839 17.861 1.00 72.04 H new ATOM 0 HB3 LEU A 64 12.290 -9.124 18.092 1.00 72.04 H new ATOM 0 HG LEU A 64 12.392 -8.446 20.539 1.00 4.22 H new ATOM 0 HD11 LEU A 64 10.457 -7.194 21.411 1.00 22.20 H new ATOM 0 HD12 LEU A 64 11.446 -6.202 20.314 1.00 22.20 H new ATOM 0 HD13 LEU A 64 9.908 -6.892 19.745 1.00 22.20 H new ATOM 0 HD21 LEU A 64 10.305 -9.635 21.091 1.00 51.44 H new ATOM 0 HD22 LEU A 64 9.750 -9.431 19.413 1.00 51.44 H new ATOM 0 HD23 LEU A 64 11.184 -10.426 19.761 1.00 51.44 H new ATOM 934 N TRP A 65 11.549 -5.521 17.353 1.00 13.33 N ATOM 935 CA TRP A 65 10.930 -4.206 17.221 1.00 21.44 C ATOM 936 C TRP A 65 9.410 -4.322 17.176 1.00 25.14 C ATOM 937 O TRP A 65 8.867 -5.391 16.897 1.00 50.13 O ATOM 938 CB TRP A 65 11.438 -3.505 15.961 1.00 61.03 C ATOM 939 CG TRP A 65 11.570 -4.422 14.783 1.00 71.42 C ATOM 940 CD1 TRP A 65 12.582 -5.307 14.542 1.00 4.21 C ATOM 941 CD2 TRP A 65 10.659 -4.544 13.685 1.00 40.31 C ATOM 942 NE1 TRP A 65 12.356 -5.971 13.360 1.00 13.45 N ATOM 943 CE2 TRP A 65 11.182 -5.521 12.816 1.00 71.22 C ATOM 944 CE3 TRP A 65 9.452 -3.923 13.352 1.00 32.54 C ATOM 945 CZ2 TRP A 65 10.539 -5.890 11.637 1.00 13.42 C ATOM 946 CZ3 TRP A 65 8.815 -4.290 12.182 1.00 12.01 C ATOM 947 CH2 TRP A 65 9.358 -5.266 11.336 1.00 24.04 C ATOM 0 H TRP A 65 11.139 -6.242 16.760 1.00 13.33 H new ATOM 0 HA TRP A 65 11.205 -3.613 18.094 1.00 21.44 H new ATOM 0 HB2 TRP A 65 10.757 -2.693 15.706 1.00 61.03 H new ATOM 0 HB3 TRP A 65 12.407 -3.053 16.171 1.00 61.03 H new ATOM 0 HD1 TRP A 65 13.435 -5.462 15.186 1.00 4.21 H new ATOM 0 HE1 TRP A 65 12.963 -6.683 12.954 1.00 13.45 H new ATOM 0 HE3 TRP A 65 9.025 -3.170 13.998 1.00 32.54 H new ATOM 0 HZ2 TRP A 65 10.957 -6.641 10.984 1.00 13.42 H new ATOM 0 HZ3 TRP A 65 7.882 -3.816 11.915 1.00 12.01 H new ATOM 0 HH2 TRP A 65 8.835 -5.531 10.429 1.00 24.04 H new ATOM 958 N LYS A 66 8.729 -3.216 17.453 1.00 13.32 N ATOM 959 CA LYS A 66 7.271 -3.192 17.443 1.00 71.12 C ATOM 960 C LYS A 66 6.751 -2.103 16.510 1.00 10.44 C ATOM 961 O LYS A 66 7.468 -1.155 16.188 1.00 50.03 O ATOM 962 CB LYS A 66 6.734 -2.966 18.858 1.00 51.00 C ATOM 963 CG LYS A 66 5.651 -3.952 19.262 1.00 4.45 C ATOM 964 CD LYS A 66 5.425 -3.946 20.765 1.00 1.20 C ATOM 965 CE LYS A 66 4.830 -2.627 21.234 1.00 42.21 C ATOM 966 NZ LYS A 66 4.331 -2.710 22.634 1.00 34.43 N ATOM 0 H LYS A 66 9.163 -2.323 17.687 1.00 13.32 H new ATOM 0 HA LYS A 66 6.919 -4.157 17.078 1.00 71.12 H new ATOM 0 HB2 LYS A 66 7.560 -3.035 19.566 1.00 51.00 H new ATOM 0 HB3 LYS A 66 6.337 -1.953 18.930 1.00 51.00 H new ATOM 0 HG2 LYS A 66 4.721 -3.701 18.752 1.00 4.45 H new ATOM 0 HG3 LYS A 66 5.931 -4.955 18.939 1.00 4.45 H new ATOM 0 HD2 LYS A 66 4.758 -4.764 21.037 1.00 1.20 H new ATOM 0 HD3 LYS A 66 6.371 -4.122 21.277 1.00 1.20 H new ATOM 0 HE2 LYS A 66 5.584 -1.843 21.163 1.00 42.21 H new ATOM 0 HE3 LYS A 66 4.011 -2.343 20.573 1.00 42.21 H new ATOM 0 HZ1 LYS A 66 3.933 -1.791 22.916 1.00 34.43 H new ATOM 0 HZ2 LYS A 66 3.593 -3.440 22.697 1.00 34.43 H new ATOM 0 HZ3 LYS A 66 5.117 -2.956 23.269 1.00 34.43 H new ATOM 980 N ILE A 67 5.501 -2.243 16.083 1.00 71.44 N ATOM 981 CA ILE A 67 4.885 -1.269 15.190 1.00 64.43 C ATOM 982 C ILE A 67 4.427 -0.033 15.956 1.00 21.53 C ATOM 983 O ILE A 67 4.435 -0.016 17.187 1.00 55.33 O ATOM 984 CB ILE A 67 3.681 -1.873 14.443 1.00 10.50 C ATOM 985 CG1 ILE A 67 2.424 -1.796 15.312 1.00 0.11 C ATOM 986 CG2 ILE A 67 3.971 -3.313 14.047 1.00 55.43 C ATOM 987 CD1 ILE A 67 2.568 -2.495 16.646 1.00 71.13 C ATOM 0 H ILE A 67 4.895 -3.022 16.341 1.00 71.44 H new ATOM 0 HA ILE A 67 5.645 -0.981 14.464 1.00 64.43 H new ATOM 0 HB ILE A 67 3.508 -1.295 13.535 1.00 10.50 H new ATOM 0 HG12 ILE A 67 2.175 -0.749 15.485 1.00 0.11 H new ATOM 0 HG13 ILE A 67 1.589 -2.237 14.768 1.00 0.11 H new ATOM 0 HG21 ILE A 67 3.111 -3.726 13.520 1.00 55.43 H new ATOM 0 HG22 ILE A 67 4.844 -3.342 13.395 1.00 55.43 H new ATOM 0 HG23 ILE A 67 4.166 -3.904 14.942 1.00 55.43 H new ATOM 0 HD11 ILE A 67 1.639 -2.400 17.209 1.00 71.13 H new ATOM 0 HD12 ILE A 67 2.787 -3.550 16.482 1.00 71.13 H new ATOM 0 HD13 ILE A 67 3.382 -2.039 17.210 1.00 71.13 H new ATOM 999 N ALA A 68 4.027 0.998 15.220 1.00 12.01 N ATOM 1000 CA ALA A 68 3.561 2.237 15.830 1.00 1.14 C ATOM 1001 C ALA A 68 2.253 2.702 15.200 1.00 72.24 C ATOM 1002 O ALA A 68 1.675 3.707 15.615 1.00 44.54 O ATOM 1003 CB ALA A 68 4.623 3.319 15.705 1.00 4.10 C ATOM 0 H ALA A 68 4.016 1.000 14.200 1.00 12.01 H new ATOM 0 HA ALA A 68 3.376 2.045 16.887 1.00 1.14 H new ATOM 0 HB1 ALA A 68 4.261 4.239 16.165 1.00 4.10 H new ATOM 0 HB2 ALA A 68 5.534 2.995 16.209 1.00 4.10 H new ATOM 0 HB3 ALA A 68 4.836 3.500 14.651 1.00 4.10 H new TER 1009 ALA A 68