USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 480 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 21 THR OG1 : rot -167:sc= 0.132 USER MOD Set 1.2: A 38 TYR OH : rot 30:sc= 0.129 USER MOD Set 2.1: A 13 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.73) USER MOD Set 2.2: A 60 THR OG1 : rot 98:sc= 0.546 USER MOD Set 2.3: A 62 LYS NZ :NH3+ -171:sc= -0.568 (180deg=-0.775) USER MOD Single : A 1 LEU N :NH3+ -139:sc= 0 (180deg=-0.0141) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00239 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -150:sc= 0.497 USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= -0.0453 (180deg=-0.389) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 95:sc= -0.739 USER MOD Single : A 30 THR OG1 : rot -140:sc= 0.00312 USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0239 (180deg=-0.287) USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= -2.66 (180deg=-4.61!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A 49 THR OG1 : rot 78:sc= 0.192 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.525 USER MOD Single : A 54 THR OG1 : rot -36:sc= 1.07 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0461 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.683 1.919 -4.388 1.00 1.86 N ATOM 2 CA LEU A 1 3.313 1.420 -5.746 1.00 1.22 C ATOM 3 C LEU A 1 2.477 2.507 -6.433 1.00 1.30 C ATOM 4 O LEU A 1 2.903 3.085 -7.414 1.00 1.46 O ATOM 5 CB LEU A 1 2.494 0.097 -5.609 1.00 0.77 C ATOM 6 CG LEU A 1 2.038 -0.438 -7.008 1.00 0.79 C ATOM 7 CD1 LEU A 1 3.246 -0.887 -7.870 1.00 1.22 C ATOM 8 CD2 LEU A 1 1.088 -1.642 -6.833 1.00 1.45 C ATOM 0 H1 LEU A 1 4.670 1.665 -4.182 1.00 1.86 H new ATOM 0 H2 LEU A 1 3.578 2.953 -4.358 1.00 1.86 H new ATOM 0 H3 LEU A 1 3.059 1.487 -3.677 1.00 1.86 H new ATOM 0 HA LEU A 1 4.202 1.208 -6.340 1.00 1.22 H new ATOM 0 HB2 LEU A 1 3.100 -0.658 -5.109 1.00 0.77 H new ATOM 0 HB3 LEU A 1 1.620 0.271 -4.982 1.00 0.77 H new ATOM 0 HG LEU A 1 1.527 0.380 -7.515 1.00 0.79 H new ATOM 0 HD11 LEU A 1 2.890 -1.252 -8.833 1.00 1.22 H new ATOM 0 HD12 LEU A 1 3.915 -0.041 -8.027 1.00 1.22 H new ATOM 0 HD13 LEU A 1 3.783 -1.684 -7.356 1.00 1.22 H new ATOM 0 HD21 LEU A 1 0.777 -2.006 -7.812 1.00 1.45 H new ATOM 0 HD22 LEU A 1 1.605 -2.438 -6.297 1.00 1.45 H new ATOM 0 HD23 LEU A 1 0.210 -1.333 -6.265 1.00 1.45 H new ATOM 22 N THR A 2 1.315 2.747 -5.881 1.00 1.27 N ATOM 23 CA THR A 2 0.380 3.780 -6.429 1.00 1.38 C ATOM 24 C THR A 2 0.268 4.992 -5.478 1.00 1.28 C ATOM 25 O THR A 2 0.304 6.108 -5.962 1.00 1.28 O ATOM 26 CB THR A 2 -1.024 3.145 -6.647 1.00 1.62 C ATOM 27 OG1 THR A 2 -0.786 2.079 -7.555 1.00 1.74 O ATOM 28 CG2 THR A 2 -1.965 4.089 -7.430 1.00 1.80 C ATOM 0 H THR A 2 0.966 2.260 -5.055 1.00 1.27 H new ATOM 0 HA THR A 2 0.776 4.134 -7.381 1.00 1.38 H new ATOM 0 HB THR A 2 -1.465 2.888 -5.684 1.00 1.62 H new ATOM 0 HG1 THR A 2 -1.629 1.619 -7.747 1.00 1.74 H new ATOM 0 HG21 THR A 2 -2.935 3.609 -7.561 1.00 1.80 H new ATOM 0 HG22 THR A 2 -2.092 5.018 -6.875 1.00 1.80 H new ATOM 0 HG23 THR A 2 -1.532 4.306 -8.407 1.00 1.80 H new ATOM 36 N PRO A 3 0.139 4.791 -4.179 1.00 1.25 N ATOM 37 CA PRO A 3 0.028 5.902 -3.203 1.00 1.26 C ATOM 38 C PRO A 3 1.432 6.188 -2.640 1.00 0.95 C ATOM 39 O PRO A 3 1.680 6.102 -1.451 1.00 1.04 O ATOM 40 CB PRO A 3 -0.993 5.363 -2.196 1.00 1.51 C ATOM 41 CG PRO A 3 -0.777 3.808 -2.199 1.00 1.55 C ATOM 42 CD PRO A 3 0.057 3.481 -3.472 1.00 1.26 C ATOM 0 HA PRO A 3 -0.309 6.865 -3.587 1.00 1.26 H new ATOM 0 HB2 PRO A 3 -0.829 5.783 -1.204 1.00 1.51 H new ATOM 0 HB3 PRO A 3 -2.011 5.622 -2.488 1.00 1.51 H new ATOM 0 HG2 PRO A 3 -0.253 3.487 -1.299 1.00 1.55 H new ATOM 0 HG3 PRO A 3 -1.732 3.283 -2.216 1.00 1.55 H new ATOM 0 HD2 PRO A 3 1.046 3.100 -3.217 1.00 1.26 H new ATOM 0 HD3 PRO A 3 -0.429 2.723 -4.086 1.00 1.26 H new ATOM 50 N ALA A 4 2.303 6.523 -3.561 1.00 0.77 N ATOM 51 CA ALA A 4 3.729 6.841 -3.236 1.00 0.58 C ATOM 52 C ALA A 4 4.059 8.287 -3.638 1.00 0.45 C ATOM 53 O ALA A 4 3.307 8.903 -4.364 1.00 0.61 O ATOM 54 CB ALA A 4 4.635 5.861 -4.000 1.00 0.61 C ATOM 0 H ALA A 4 2.077 6.591 -4.553 1.00 0.77 H new ATOM 0 HA ALA A 4 3.893 6.741 -2.163 1.00 0.58 H new ATOM 0 HB1 ALA A 4 5.679 6.079 -3.774 1.00 0.61 H new ATOM 0 HB2 ALA A 4 4.404 4.840 -3.697 1.00 0.61 H new ATOM 0 HB3 ALA A 4 4.465 5.968 -5.071 1.00 0.61 H new ATOM 60 N VAL A 5 5.180 8.752 -3.144 1.00 0.52 N ATOM 61 CA VAL A 5 5.725 10.138 -3.388 1.00 0.55 C ATOM 62 C VAL A 5 4.794 11.105 -4.166 1.00 0.47 C ATOM 63 O VAL A 5 4.888 11.264 -5.368 1.00 0.51 O ATOM 64 CB VAL A 5 7.090 9.980 -4.136 1.00 0.62 C ATOM 65 CG1 VAL A 5 7.808 11.354 -4.241 1.00 0.88 C ATOM 66 CG2 VAL A 5 8.011 9.027 -3.335 1.00 0.80 C ATOM 0 H VAL A 5 5.782 8.191 -2.541 1.00 0.52 H new ATOM 0 HA VAL A 5 5.831 10.611 -2.412 1.00 0.55 H new ATOM 0 HB VAL A 5 6.892 9.583 -5.132 1.00 0.62 H new ATOM 0 HG11 VAL A 5 8.756 11.230 -4.764 1.00 0.88 H new ATOM 0 HG12 VAL A 5 7.178 12.052 -4.793 1.00 0.88 H new ATOM 0 HG13 VAL A 5 7.993 11.745 -3.241 1.00 0.88 H new ATOM 0 HG21 VAL A 5 8.962 8.917 -3.856 1.00 0.80 H new ATOM 0 HG22 VAL A 5 8.187 9.441 -2.342 1.00 0.80 H new ATOM 0 HG23 VAL A 5 7.533 8.052 -3.242 1.00 0.80 H new ATOM 76 N THR A 6 3.914 11.714 -3.415 1.00 0.45 N ATOM 77 CA THR A 6 2.912 12.688 -3.910 1.00 0.44 C ATOM 78 C THR A 6 3.141 14.024 -3.191 1.00 0.42 C ATOM 79 O THR A 6 3.886 14.090 -2.234 1.00 0.51 O ATOM 80 CB THR A 6 1.514 12.162 -3.585 1.00 0.57 C ATOM 81 OG1 THR A 6 1.595 11.422 -2.370 1.00 0.74 O ATOM 82 CG2 THR A 6 0.940 11.212 -4.649 1.00 0.62 C ATOM 0 H THR A 6 3.853 11.558 -2.409 1.00 0.45 H new ATOM 0 HA THR A 6 3.007 12.826 -4.987 1.00 0.44 H new ATOM 0 HB THR A 6 0.859 13.031 -3.528 1.00 0.57 H new ATOM 0 HG1 THR A 6 0.708 11.075 -2.139 1.00 0.74 H new ATOM 0 HG21 THR A 6 -0.054 10.883 -4.345 1.00 0.62 H new ATOM 0 HG22 THR A 6 0.873 11.733 -5.604 1.00 0.62 H new ATOM 0 HG23 THR A 6 1.593 10.346 -4.753 1.00 0.62 H new ATOM 90 N THR A 7 2.480 15.046 -3.668 1.00 0.41 N ATOM 91 CA THR A 7 2.619 16.402 -3.050 1.00 0.40 C ATOM 92 C THR A 7 1.277 16.771 -2.411 1.00 0.39 C ATOM 93 O THR A 7 0.229 16.501 -2.966 1.00 0.54 O ATOM 94 CB THR A 7 2.998 17.408 -4.153 1.00 0.49 C ATOM 95 OG1 THR A 7 4.228 16.910 -4.662 1.00 0.57 O ATOM 96 CG2 THR A 7 3.365 18.790 -3.574 1.00 0.61 C ATOM 0 H THR A 7 1.845 15.001 -4.465 1.00 0.41 H new ATOM 0 HA THR A 7 3.396 16.415 -2.285 1.00 0.40 H new ATOM 0 HB THR A 7 2.173 17.512 -4.858 1.00 0.49 H new ATOM 0 HG1 THR A 7 4.546 17.496 -5.380 1.00 0.57 H new ATOM 0 HG21 THR A 7 3.625 19.468 -4.387 1.00 0.61 H new ATOM 0 HG22 THR A 7 2.514 19.192 -3.025 1.00 0.61 H new ATOM 0 HG23 THR A 7 4.216 18.688 -2.900 1.00 0.61 H new ATOM 104 N TYR A 8 1.367 17.380 -1.256 1.00 0.32 N ATOM 105 CA TYR A 8 0.146 17.807 -0.501 1.00 0.34 C ATOM 106 C TYR A 8 0.310 19.270 -0.130 1.00 0.32 C ATOM 107 O TYR A 8 1.388 19.824 -0.244 1.00 0.38 O ATOM 108 CB TYR A 8 0.016 16.966 0.757 1.00 0.38 C ATOM 109 CG TYR A 8 -1.431 16.849 1.260 1.00 0.30 C ATOM 110 CD1 TYR A 8 -2.370 16.186 0.492 1.00 0.35 C ATOM 111 CD2 TYR A 8 -1.816 17.374 2.474 1.00 0.30 C ATOM 112 CE1 TYR A 8 -3.668 16.049 0.932 1.00 0.40 C ATOM 113 CE2 TYR A 8 -3.115 17.238 2.914 1.00 0.30 C ATOM 114 CZ TYR A 8 -4.051 16.575 2.147 1.00 0.34 C ATOM 115 OH TYR A 8 -5.350 16.437 2.591 1.00 0.39 O ATOM 0 H TYR A 8 2.249 17.604 -0.795 1.00 0.32 H new ATOM 0 HA TYR A 8 -0.749 17.674 -1.109 1.00 0.34 H new ATOM 0 HB2 TYR A 8 0.407 15.968 0.561 1.00 0.38 H new ATOM 0 HB3 TYR A 8 0.633 17.402 1.543 1.00 0.38 H new ATOM 0 HD1 TYR A 8 -2.083 15.771 -0.463 1.00 0.35 H new ATOM 0 HD2 TYR A 8 -1.095 17.896 3.085 1.00 0.30 H new ATOM 0 HE1 TYR A 8 -4.390 15.527 0.322 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -3.403 17.654 3.868 1.00 0.30 H new ATOM 0 HH TYR A 8 -5.586 17.203 3.155 1.00 0.39 H new ATOM 125 N LYS A 9 -0.773 19.838 0.322 1.00 0.29 N ATOM 126 CA LYS A 9 -0.750 21.283 0.719 1.00 0.30 C ATOM 127 C LYS A 9 -1.128 21.482 2.178 1.00 0.27 C ATOM 128 O LYS A 9 -1.797 20.657 2.765 1.00 0.36 O ATOM 129 CB LYS A 9 -1.737 22.071 -0.152 1.00 0.34 C ATOM 130 CG LYS A 9 -1.341 21.963 -1.635 1.00 0.62 C ATOM 131 CD LYS A 9 -2.315 22.817 -2.471 1.00 0.80 C ATOM 132 CE LYS A 9 -1.883 22.820 -3.948 1.00 1.31 C ATOM 133 NZ LYS A 9 -0.547 23.474 -4.102 1.00 1.60 N ATOM 0 H LYS A 9 -1.672 19.370 0.435 1.00 0.29 H new ATOM 0 HA LYS A 9 0.269 21.642 0.576 1.00 0.30 H new ATOM 0 HB2 LYS A 9 -2.747 21.686 -0.009 1.00 0.34 H new ATOM 0 HB3 LYS A 9 -1.748 23.117 0.154 1.00 0.34 H new ATOM 0 HG2 LYS A 9 -0.317 22.308 -1.779 1.00 0.62 H new ATOM 0 HG3 LYS A 9 -1.375 20.923 -1.960 1.00 0.62 H new ATOM 0 HD2 LYS A 9 -3.327 22.422 -2.381 1.00 0.80 H new ATOM 0 HD3 LYS A 9 -2.336 23.837 -2.088 1.00 0.80 H new ATOM 0 HE2 LYS A 9 -1.839 21.797 -4.322 1.00 1.31 H new ATOM 0 HE3 LYS A 9 -2.624 23.347 -4.549 1.00 1.31 H new ATOM 0 HZ1 LYS A 9 -0.405 23.743 -5.096 1.00 1.60 H new ATOM 0 HZ2 LYS A 9 -0.505 24.324 -3.504 1.00 1.60 H new ATOM 0 HZ3 LYS A 9 0.200 22.810 -3.813 1.00 1.60 H new ATOM 147 N LEU A 10 -0.661 22.585 2.706 1.00 0.27 N ATOM 148 CA LEU A 10 -0.935 22.956 4.127 1.00 0.29 C ATOM 149 C LEU A 10 -1.225 24.455 4.264 1.00 0.29 C ATOM 150 O LEU A 10 -0.520 25.267 3.705 1.00 0.38 O ATOM 151 CB LEU A 10 0.314 22.535 4.942 1.00 0.32 C ATOM 152 CG LEU A 10 0.478 23.093 6.395 1.00 0.33 C ATOM 153 CD1 LEU A 10 0.933 24.574 6.439 1.00 0.43 C ATOM 154 CD2 LEU A 10 -0.810 22.924 7.219 1.00 0.37 C ATOM 0 H LEU A 10 -0.088 23.259 2.199 1.00 0.27 H new ATOM 0 HA LEU A 10 -1.824 22.447 4.500 1.00 0.29 H new ATOM 0 HB2 LEU A 10 0.320 21.447 5.002 1.00 0.32 H new ATOM 0 HB3 LEU A 10 1.196 22.828 4.373 1.00 0.32 H new ATOM 0 HG LEU A 10 1.272 22.494 6.841 1.00 0.33 H new ATOM 0 HD11 LEU A 10 1.026 24.895 7.476 1.00 0.43 H new ATOM 0 HD12 LEU A 10 1.897 24.673 5.940 1.00 0.43 H new ATOM 0 HD13 LEU A 10 0.196 25.196 5.931 1.00 0.43 H new ATOM 0 HD21 LEU A 10 -0.656 23.323 8.221 1.00 0.37 H new ATOM 0 HD22 LEU A 10 -1.625 23.463 6.735 1.00 0.37 H new ATOM 0 HD23 LEU A 10 -1.063 21.866 7.285 1.00 0.37 H new ATOM 166 N VAL A 11 -2.254 24.770 5.006 1.00 0.24 N ATOM 167 CA VAL A 11 -2.650 26.189 5.245 1.00 0.26 C ATOM 168 C VAL A 11 -2.556 26.405 6.761 1.00 0.26 C ATOM 169 O VAL A 11 -2.768 25.515 7.560 1.00 0.33 O ATOM 170 CB VAL A 11 -4.092 26.430 4.798 1.00 0.30 C ATOM 171 CG1 VAL A 11 -4.483 27.921 4.989 1.00 0.47 C ATOM 172 CG2 VAL A 11 -4.241 26.080 3.306 1.00 0.44 C ATOM 0 H VAL A 11 -2.851 24.084 5.468 1.00 0.24 H new ATOM 0 HA VAL A 11 -2.007 26.869 4.686 1.00 0.26 H new ATOM 0 HB VAL A 11 -4.743 25.800 5.404 1.00 0.30 H new ATOM 0 HG11 VAL A 11 -5.513 28.071 4.665 1.00 0.47 H new ATOM 0 HG12 VAL A 11 -4.391 28.189 6.041 1.00 0.47 H new ATOM 0 HG13 VAL A 11 -3.820 28.550 4.395 1.00 0.47 H new ATOM 0 HG21 VAL A 11 -5.270 26.254 2.993 1.00 0.44 H new ATOM 0 HG22 VAL A 11 -3.572 26.707 2.717 1.00 0.44 H new ATOM 0 HG23 VAL A 11 -3.986 25.032 3.151 1.00 0.44 H new ATOM 182 N ILE A 12 -2.241 27.616 7.103 1.00 0.28 N ATOM 183 CA ILE A 12 -2.103 28.015 8.541 1.00 0.30 C ATOM 184 C ILE A 12 -3.118 29.141 8.789 1.00 0.33 C ATOM 185 O ILE A 12 -3.304 29.965 7.916 1.00 0.46 O ATOM 186 CB ILE A 12 -0.673 28.549 8.798 1.00 0.38 C ATOM 187 CG1 ILE A 12 0.367 27.459 8.369 1.00 0.39 C ATOM 188 CG2 ILE A 12 -0.527 29.015 10.277 1.00 0.43 C ATOM 189 CD1 ILE A 12 1.715 27.573 9.112 1.00 0.47 C ATOM 0 H ILE A 12 -2.068 28.369 6.438 1.00 0.28 H new ATOM 0 HA ILE A 12 -2.282 27.167 9.202 1.00 0.30 H new ATOM 0 HB ILE A 12 -0.475 29.432 8.191 1.00 0.38 H new ATOM 0 HG12 ILE A 12 -0.057 26.471 8.550 1.00 0.39 H new ATOM 0 HG13 ILE A 12 0.544 27.538 7.296 1.00 0.39 H new ATOM 0 HG21 ILE A 12 0.484 29.388 10.443 1.00 0.43 H new ATOM 0 HG22 ILE A 12 -1.245 29.809 10.481 1.00 0.43 H new ATOM 0 HG23 ILE A 12 -0.717 28.174 10.944 1.00 0.43 H new ATOM 0 HD11 ILE A 12 2.388 26.788 8.767 1.00 0.47 H new ATOM 0 HD12 ILE A 12 2.160 28.547 8.911 1.00 0.47 H new ATOM 0 HD13 ILE A 12 1.550 27.464 10.184 1.00 0.47 H new ATOM 201 N ASN A 13 -3.724 29.152 9.949 1.00 0.31 N ATOM 202 CA ASN A 13 -4.728 30.217 10.275 1.00 0.36 C ATOM 203 C ASN A 13 -4.214 31.178 11.363 1.00 0.37 C ATOM 204 O ASN A 13 -4.830 31.344 12.397 1.00 0.43 O ATOM 205 CB ASN A 13 -6.025 29.518 10.729 1.00 0.44 C ATOM 206 CG ASN A 13 -6.480 28.531 9.650 1.00 0.50 C ATOM 207 OD1 ASN A 13 -6.727 28.889 8.515 1.00 0.61 O ATOM 208 ND2 ASN A 13 -6.598 27.274 9.974 1.00 0.50 N ATOM 0 H ASN A 13 -3.568 28.468 10.689 1.00 0.31 H new ATOM 0 HA ASN A 13 -4.911 30.826 9.390 1.00 0.36 H new ATOM 0 HB2 ASN A 13 -5.857 28.993 11.669 1.00 0.44 H new ATOM 0 HB3 ASN A 13 -6.804 30.258 10.912 1.00 0.44 H new ATOM 0 HD21 ASN A 13 -6.897 26.593 9.276 1.00 0.50 H new ATOM 0 HD22 ASN A 13 -6.391 26.971 10.926 1.00 0.50 H new ATOM 215 N GLY A 14 -3.082 31.763 11.048 1.00 0.40 N ATOM 216 CA GLY A 14 -2.349 32.753 11.916 1.00 0.44 C ATOM 217 C GLY A 14 -3.128 33.354 13.101 1.00 0.40 C ATOM 218 O GLY A 14 -2.693 33.252 14.230 1.00 0.55 O ATOM 0 H GLY A 14 -2.604 31.582 10.165 1.00 0.40 H new ATOM 0 HA2 GLY A 14 -1.458 32.264 12.309 1.00 0.44 H new ATOM 0 HA3 GLY A 14 -2.010 33.573 11.283 1.00 0.44 H new ATOM 222 N LYS A 15 -4.247 33.956 12.761 1.00 0.41 N ATOM 223 CA LYS A 15 -5.212 34.635 13.708 1.00 0.46 C ATOM 224 C LYS A 15 -5.835 35.863 13.024 1.00 0.46 C ATOM 225 O LYS A 15 -7.010 36.128 13.182 1.00 0.59 O ATOM 226 CB LYS A 15 -4.524 35.137 15.034 1.00 0.59 C ATOM 227 CG LYS A 15 -3.353 36.130 14.781 1.00 0.65 C ATOM 228 CD LYS A 15 -2.662 36.421 16.131 1.00 0.79 C ATOM 229 CE LYS A 15 -1.522 37.433 15.932 1.00 0.94 C ATOM 230 NZ LYS A 15 -0.848 37.695 17.237 1.00 1.11 N ATOM 0 H LYS A 15 -4.555 34.008 11.790 1.00 0.41 H new ATOM 0 HA LYS A 15 -5.961 33.886 13.965 1.00 0.46 H new ATOM 0 HB2 LYS A 15 -5.272 35.620 15.663 1.00 0.59 H new ATOM 0 HB3 LYS A 15 -4.149 34.277 15.589 1.00 0.59 H new ATOM 0 HG2 LYS A 15 -2.641 35.705 14.074 1.00 0.65 H new ATOM 0 HG3 LYS A 15 -3.727 37.054 14.339 1.00 0.65 H new ATOM 0 HD2 LYS A 15 -3.388 36.814 16.843 1.00 0.79 H new ATOM 0 HD3 LYS A 15 -2.269 35.497 16.554 1.00 0.79 H new ATOM 0 HE2 LYS A 15 -0.802 37.047 15.211 1.00 0.94 H new ATOM 0 HE3 LYS A 15 -1.916 38.363 15.522 1.00 0.94 H new ATOM 0 HZ1 LYS A 15 -0.078 38.380 17.099 1.00 1.11 H new ATOM 0 HZ2 LYS A 15 -1.538 38.082 17.912 1.00 1.11 H new ATOM 0 HZ3 LYS A 15 -0.458 36.806 17.611 1.00 1.11 H new ATOM 244 N THR A 16 -5.017 36.568 12.284 1.00 0.44 N ATOM 245 CA THR A 16 -5.463 37.793 11.544 1.00 0.44 C ATOM 246 C THR A 16 -5.395 37.456 10.056 1.00 0.49 C ATOM 247 O THR A 16 -6.327 37.682 9.309 1.00 0.68 O ATOM 248 CB THR A 16 -4.512 38.959 11.877 1.00 0.47 C ATOM 249 OG1 THR A 16 -4.669 39.158 13.276 1.00 0.68 O ATOM 250 CG2 THR A 16 -4.992 40.278 11.240 1.00 0.58 C ATOM 0 H THR A 16 -4.031 36.340 12.157 1.00 0.44 H new ATOM 0 HA THR A 16 -6.474 38.089 11.823 1.00 0.44 H new ATOM 0 HB THR A 16 -3.504 38.727 11.533 1.00 0.47 H new ATOM 0 HG1 THR A 16 -4.089 39.891 13.569 1.00 0.68 H new ATOM 0 HG21 THR A 16 -4.298 41.079 11.495 1.00 0.58 H new ATOM 0 HG22 THR A 16 -5.033 40.165 10.157 1.00 0.58 H new ATOM 0 HG23 THR A 16 -5.985 40.524 11.617 1.00 0.58 H new ATOM 258 N LEU A 17 -4.261 36.918 9.700 1.00 0.45 N ATOM 259 CA LEU A 17 -3.976 36.505 8.296 1.00 0.59 C ATOM 260 C LEU A 17 -3.721 34.996 8.298 1.00 0.52 C ATOM 261 O LEU A 17 -3.715 34.362 9.337 1.00 0.61 O ATOM 262 CB LEU A 17 -2.724 37.258 7.787 1.00 0.75 C ATOM 263 CG LEU A 17 -2.934 38.800 7.839 1.00 0.89 C ATOM 264 CD1 LEU A 17 -1.613 39.489 7.436 1.00 1.12 C ATOM 265 CD2 LEU A 17 -4.033 39.227 6.837 1.00 1.09 C ATOM 0 H LEU A 17 -3.493 36.742 10.348 1.00 0.45 H new ATOM 0 HA LEU A 17 -4.814 36.742 7.640 1.00 0.59 H new ATOM 0 HB2 LEU A 17 -1.861 36.985 8.394 1.00 0.75 H new ATOM 0 HB3 LEU A 17 -2.504 36.953 6.764 1.00 0.75 H new ATOM 0 HG LEU A 17 -3.234 39.087 8.847 1.00 0.89 H new ATOM 0 HD11 LEU A 17 -1.743 40.571 7.467 1.00 1.12 H new ATOM 0 HD12 LEU A 17 -0.824 39.198 8.130 1.00 1.12 H new ATOM 0 HD13 LEU A 17 -1.338 39.186 6.426 1.00 1.12 H new ATOM 0 HD21 LEU A 17 -4.169 40.307 6.885 1.00 1.09 H new ATOM 0 HD22 LEU A 17 -3.735 38.943 5.828 1.00 1.09 H new ATOM 0 HD23 LEU A 17 -4.970 38.732 7.092 1.00 1.09 H new ATOM 277 N LYS A 18 -3.528 34.481 7.113 1.00 0.55 N ATOM 278 CA LYS A 18 -3.261 33.023 6.930 1.00 0.56 C ATOM 279 C LYS A 18 -1.983 32.855 6.102 1.00 0.63 C ATOM 280 O LYS A 18 -1.539 33.775 5.440 1.00 0.82 O ATOM 281 CB LYS A 18 -4.452 32.372 6.194 1.00 0.56 C ATOM 282 CG LYS A 18 -5.737 32.527 7.038 1.00 0.61 C ATOM 283 CD LYS A 18 -6.875 31.704 6.400 1.00 0.74 C ATOM 284 CE LYS A 18 -8.129 31.802 7.286 1.00 0.86 C ATOM 285 NZ LYS A 18 -9.230 30.980 6.704 1.00 1.12 N ATOM 0 H LYS A 18 -3.544 35.020 6.247 1.00 0.55 H new ATOM 0 HA LYS A 18 -3.135 32.541 7.899 1.00 0.56 H new ATOM 0 HB2 LYS A 18 -4.588 32.839 5.219 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -4.248 31.316 6.016 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -5.557 32.189 8.058 1.00 0.61 H new ATOM 0 HG3 LYS A 18 -6.022 33.577 7.096 1.00 0.61 H new ATOM 0 HD2 LYS A 18 -7.092 32.077 5.399 1.00 0.74 H new ATOM 0 HD3 LYS A 18 -6.571 30.663 6.293 1.00 0.74 H new ATOM 0 HE2 LYS A 18 -7.900 31.457 8.294 1.00 0.86 H new ATOM 0 HE3 LYS A 18 -8.445 32.842 7.369 1.00 0.86 H new ATOM 0 HZ1 LYS A 18 -10.073 31.052 7.308 1.00 1.12 H new ATOM 0 HZ2 LYS A 18 -9.457 31.328 5.751 1.00 1.12 H new ATOM 0 HZ3 LYS A 18 -8.928 29.986 6.647 1.00 1.12 H new ATOM 299 N GLY A 19 -1.439 31.670 6.175 1.00 0.59 N ATOM 300 CA GLY A 19 -0.188 31.329 5.427 1.00 0.66 C ATOM 301 C GLY A 19 -0.461 30.067 4.615 1.00 0.52 C ATOM 302 O GLY A 19 -1.330 29.304 4.982 1.00 0.58 O ATOM 0 H GLY A 19 -1.816 30.905 6.734 1.00 0.59 H new ATOM 0 HA2 GLY A 19 0.101 32.150 4.771 1.00 0.66 H new ATOM 0 HA3 GLY A 19 0.639 31.167 6.119 1.00 0.66 H new ATOM 306 N GLU A 20 0.269 29.877 3.547 1.00 0.55 N ATOM 307 CA GLU A 20 0.060 28.662 2.701 1.00 0.47 C ATOM 308 C GLU A 20 1.437 28.097 2.318 1.00 0.46 C ATOM 309 O GLU A 20 2.257 28.794 1.749 1.00 0.64 O ATOM 310 CB GLU A 20 -0.747 29.080 1.450 1.00 0.54 C ATOM 311 CG GLU A 20 -1.378 27.853 0.740 1.00 0.60 C ATOM 312 CD GLU A 20 -0.332 26.827 0.255 1.00 0.74 C ATOM 313 OE1 GLU A 20 0.555 27.236 -0.479 1.00 0.91 O ATOM 314 OE2 GLU A 20 -0.484 25.683 0.648 1.00 0.94 O ATOM 0 H GLU A 20 1.001 30.510 3.223 1.00 0.55 H new ATOM 0 HA GLU A 20 -0.495 27.889 3.233 1.00 0.47 H new ATOM 0 HB2 GLU A 20 -1.533 29.777 1.740 1.00 0.54 H new ATOM 0 HB3 GLU A 20 -0.094 29.607 0.755 1.00 0.54 H new ATOM 0 HG2 GLU A 20 -2.070 27.361 1.424 1.00 0.60 H new ATOM 0 HG3 GLU A 20 -1.963 28.196 -0.113 1.00 0.60 H new ATOM 321 N THR A 21 1.644 26.849 2.644 1.00 0.36 N ATOM 322 CA THR A 21 2.934 26.151 2.339 1.00 0.38 C ATOM 323 C THR A 21 2.549 24.764 1.818 1.00 0.32 C ATOM 324 O THR A 21 1.413 24.351 1.918 1.00 0.33 O ATOM 325 CB THR A 21 3.781 25.985 3.614 1.00 0.47 C ATOM 326 OG1 THR A 21 3.643 27.210 4.327 1.00 0.58 O ATOM 327 CG2 THR A 21 5.286 25.913 3.285 1.00 0.63 C ATOM 0 H THR A 21 0.956 26.267 3.122 1.00 0.36 H new ATOM 0 HA THR A 21 3.520 26.722 1.619 1.00 0.38 H new ATOM 0 HB THR A 21 3.460 25.087 4.141 1.00 0.47 H new ATOM 0 HG1 THR A 21 4.313 27.250 5.041 1.00 0.58 H new ATOM 0 HG21 THR A 21 5.855 25.796 4.207 1.00 0.63 H new ATOM 0 HG22 THR A 21 5.475 25.062 2.631 1.00 0.63 H new ATOM 0 HG23 THR A 21 5.593 26.831 2.783 1.00 0.63 H new ATOM 335 N THR A 22 3.506 24.069 1.277 1.00 0.37 N ATOM 336 CA THR A 22 3.230 22.696 0.736 1.00 0.37 C ATOM 337 C THR A 22 4.397 21.754 1.082 1.00 0.43 C ATOM 338 O THR A 22 5.438 22.204 1.520 1.00 0.56 O ATOM 339 CB THR A 22 3.052 22.775 -0.803 1.00 0.48 C ATOM 340 OG1 THR A 22 4.270 23.319 -1.299 1.00 0.62 O ATOM 341 CG2 THR A 22 1.981 23.816 -1.202 1.00 0.61 C ATOM 0 H THR A 22 4.471 24.385 1.182 1.00 0.37 H new ATOM 0 HA THR A 22 2.317 22.306 1.185 1.00 0.37 H new ATOM 0 HB THR A 22 2.780 21.790 -1.181 1.00 0.48 H new ATOM 0 HG1 THR A 22 4.222 23.393 -2.275 1.00 0.62 H new ATOM 0 HG21 THR A 22 1.885 23.842 -2.287 1.00 0.61 H new ATOM 0 HG22 THR A 22 1.023 23.541 -0.760 1.00 0.61 H new ATOM 0 HG23 THR A 22 2.278 24.800 -0.840 1.00 0.61 H new ATOM 349 N THR A 23 4.187 20.476 0.878 1.00 0.39 N ATOM 350 CA THR A 23 5.265 19.472 1.177 1.00 0.47 C ATOM 351 C THR A 23 5.106 18.219 0.308 1.00 0.33 C ATOM 352 O THR A 23 4.131 18.064 -0.400 1.00 0.33 O ATOM 353 CB THR A 23 5.211 19.071 2.695 1.00 0.69 C ATOM 354 OG1 THR A 23 6.483 18.473 2.919 1.00 0.94 O ATOM 355 CG2 THR A 23 4.221 17.907 3.005 1.00 0.74 C ATOM 0 H THR A 23 3.318 20.082 0.518 1.00 0.39 H new ATOM 0 HA THR A 23 6.229 19.928 0.951 1.00 0.47 H new ATOM 0 HB THR A 23 4.930 19.946 3.281 1.00 0.69 H new ATOM 0 HG1 THR A 23 7.102 19.144 3.275 1.00 0.94 H new ATOM 0 HG21 THR A 23 4.240 17.688 4.073 1.00 0.74 H new ATOM 0 HG22 THR A 23 3.213 18.199 2.712 1.00 0.74 H new ATOM 0 HG23 THR A 23 4.518 17.019 2.447 1.00 0.74 H new ATOM 363 N GLU A 24 6.087 17.361 0.423 1.00 0.38 N ATOM 364 CA GLU A 24 6.115 16.076 -0.336 1.00 0.39 C ATOM 365 C GLU A 24 5.935 14.991 0.734 1.00 0.40 C ATOM 366 O GLU A 24 6.616 14.995 1.742 1.00 0.55 O ATOM 367 CB GLU A 24 7.472 15.934 -1.045 1.00 0.52 C ATOM 368 CG GLU A 24 7.632 17.078 -2.071 1.00 0.73 C ATOM 369 CD GLU A 24 8.993 16.961 -2.782 1.00 1.02 C ATOM 370 OE1 GLU A 24 9.985 17.140 -2.091 1.00 1.11 O ATOM 371 OE2 GLU A 24 8.966 16.697 -3.974 1.00 1.29 O ATOM 0 H GLU A 24 6.894 17.504 1.031 1.00 0.38 H new ATOM 0 HA GLU A 24 5.345 16.013 -1.105 1.00 0.39 H new ATOM 0 HB2 GLU A 24 8.282 15.967 -0.316 1.00 0.52 H new ATOM 0 HB3 GLU A 24 7.534 14.968 -1.547 1.00 0.52 H new ATOM 0 HG2 GLU A 24 6.825 17.037 -2.803 1.00 0.73 H new ATOM 0 HG3 GLU A 24 7.557 18.042 -1.568 1.00 0.73 H new ATOM 378 N ALA A 25 5.016 14.099 0.473 1.00 0.44 N ATOM 379 CA ALA A 25 4.718 12.980 1.423 1.00 0.51 C ATOM 380 C ALA A 25 4.351 11.694 0.677 1.00 0.57 C ATOM 381 O ALA A 25 4.119 11.699 -0.515 1.00 0.63 O ATOM 382 CB ALA A 25 3.555 13.417 2.323 1.00 0.56 C ATOM 0 H ALA A 25 4.447 14.097 -0.374 1.00 0.44 H new ATOM 0 HA ALA A 25 5.606 12.766 2.018 1.00 0.51 H new ATOM 0 HB1 ALA A 25 3.318 12.618 3.025 1.00 0.56 H new ATOM 0 HB2 ALA A 25 3.839 14.313 2.875 1.00 0.56 H new ATOM 0 HB3 ALA A 25 2.680 13.631 1.709 1.00 0.56 H new ATOM 388 N VAL A 26 4.292 10.618 1.419 1.00 0.64 N ATOM 389 CA VAL A 26 3.947 9.293 0.831 1.00 0.76 C ATOM 390 C VAL A 26 2.506 9.007 1.253 1.00 0.79 C ATOM 391 O VAL A 26 1.655 8.755 0.422 1.00 0.96 O ATOM 392 CB VAL A 26 4.927 8.243 1.397 1.00 0.79 C ATOM 393 CG1 VAL A 26 4.611 6.847 0.818 1.00 0.93 C ATOM 394 CG2 VAL A 26 6.371 8.630 0.998 1.00 0.83 C ATOM 0 H VAL A 26 4.472 10.604 2.423 1.00 0.64 H new ATOM 0 HA VAL A 26 4.027 9.270 -0.256 1.00 0.76 H new ATOM 0 HB VAL A 26 4.825 8.215 2.482 1.00 0.79 H new ATOM 0 HG11 VAL A 26 5.310 6.117 1.226 1.00 0.93 H new ATOM 0 HG12 VAL A 26 3.593 6.564 1.086 1.00 0.93 H new ATOM 0 HG13 VAL A 26 4.706 6.873 -0.268 1.00 0.93 H new ATOM 0 HG21 VAL A 26 7.068 7.892 1.395 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.453 8.659 -0.089 1.00 0.83 H new ATOM 0 HG23 VAL A 26 6.611 9.612 1.406 1.00 0.83 H new ATOM 404 N ASP A 27 2.296 9.060 2.543 1.00 0.71 N ATOM 405 CA ASP A 27 0.939 8.810 3.118 1.00 0.75 C ATOM 406 C ASP A 27 0.501 9.989 3.994 1.00 0.64 C ATOM 407 O ASP A 27 1.275 10.881 4.287 1.00 0.60 O ATOM 408 CB ASP A 27 1.001 7.526 3.953 1.00 0.86 C ATOM 409 CG ASP A 27 1.516 6.371 3.074 1.00 1.15 C ATOM 410 OD1 ASP A 27 0.813 6.042 2.130 1.00 1.33 O ATOM 411 OD2 ASP A 27 2.590 5.887 3.396 1.00 1.30 O ATOM 0 H ASP A 27 3.018 9.269 3.233 1.00 0.71 H new ATOM 0 HA ASP A 27 0.211 8.701 2.314 1.00 0.75 H new ATOM 0 HB2 ASP A 27 1.660 7.667 4.810 1.00 0.86 H new ATOM 0 HB3 ASP A 27 0.013 7.286 4.346 1.00 0.86 H new ATOM 416 N ALA A 28 -0.751 9.949 4.384 1.00 0.72 N ATOM 417 CA ALA A 28 -1.341 11.019 5.251 1.00 0.68 C ATOM 418 C ALA A 28 -0.391 11.297 6.427 1.00 0.58 C ATOM 419 O ALA A 28 -0.037 12.425 6.709 1.00 0.59 O ATOM 420 CB ALA A 28 -2.710 10.536 5.755 1.00 0.80 C ATOM 0 H ALA A 28 -1.402 9.205 4.133 1.00 0.72 H new ATOM 0 HA ALA A 28 -1.473 11.944 4.690 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -3.156 11.303 6.389 1.00 0.80 H new ATOM 0 HB2 ALA A 28 -3.364 10.343 4.904 1.00 0.80 H new ATOM 0 HB3 ALA A 28 -2.583 9.619 6.330 1.00 0.80 H new ATOM 426 N ALA A 29 -0.005 10.230 7.079 1.00 0.65 N ATOM 427 CA ALA A 29 0.922 10.332 8.247 1.00 0.59 C ATOM 428 C ALA A 29 2.215 11.055 7.842 1.00 0.49 C ATOM 429 O ALA A 29 2.603 12.005 8.488 1.00 0.49 O ATOM 430 CB ALA A 29 1.233 8.914 8.751 1.00 0.71 C ATOM 0 H ALA A 29 -0.297 9.280 6.849 1.00 0.65 H new ATOM 0 HA ALA A 29 0.451 10.909 9.043 1.00 0.59 H new ATOM 0 HB1 ALA A 29 1.909 8.971 9.604 1.00 0.71 H new ATOM 0 HB2 ALA A 29 0.307 8.424 9.054 1.00 0.71 H new ATOM 0 HB3 ALA A 29 1.703 8.339 7.953 1.00 0.71 H new ATOM 436 N THR A 30 2.853 10.595 6.791 1.00 0.51 N ATOM 437 CA THR A 30 4.125 11.244 6.321 1.00 0.46 C ATOM 438 C THR A 30 3.938 12.763 6.260 1.00 0.40 C ATOM 439 O THR A 30 4.709 13.517 6.823 1.00 0.48 O ATOM 440 CB THR A 30 4.499 10.723 4.912 1.00 0.54 C ATOM 441 OG1 THR A 30 4.588 9.310 5.010 1.00 0.72 O ATOM 442 CG2 THR A 30 5.917 11.173 4.513 1.00 0.64 C ATOM 0 H THR A 30 2.548 9.796 6.235 1.00 0.51 H new ATOM 0 HA THR A 30 4.923 10.998 7.021 1.00 0.46 H new ATOM 0 HB THR A 30 3.762 11.088 4.196 1.00 0.54 H new ATOM 0 HG1 THR A 30 5.349 8.993 4.480 1.00 0.72 H new ATOM 0 HG21 THR A 30 6.153 10.793 3.519 1.00 0.64 H new ATOM 0 HG22 THR A 30 5.965 12.262 4.506 1.00 0.64 H new ATOM 0 HG23 THR A 30 6.638 10.783 5.231 1.00 0.64 H new ATOM 450 N ALA A 31 2.900 13.156 5.563 1.00 0.38 N ATOM 451 CA ALA A 31 2.588 14.609 5.418 1.00 0.32 C ATOM 452 C ALA A 31 2.540 15.253 6.797 1.00 0.30 C ATOM 453 O ALA A 31 3.266 16.194 7.045 1.00 0.31 O ATOM 454 CB ALA A 31 1.225 14.784 4.726 1.00 0.35 C ATOM 0 H ALA A 31 2.253 12.528 5.086 1.00 0.38 H new ATOM 0 HA ALA A 31 3.361 15.085 4.815 1.00 0.32 H new ATOM 0 HB1 ALA A 31 1.003 15.846 4.623 1.00 0.35 H new ATOM 0 HB2 ALA A 31 1.256 14.322 3.739 1.00 0.35 H new ATOM 0 HB3 ALA A 31 0.449 14.307 5.325 1.00 0.35 H new ATOM 460 N GLU A 32 1.687 14.715 7.639 1.00 0.33 N ATOM 461 CA GLU A 32 1.538 15.244 9.027 1.00 0.33 C ATOM 462 C GLU A 32 2.908 15.473 9.660 1.00 0.28 C ATOM 463 O GLU A 32 3.165 16.532 10.185 1.00 0.42 O ATOM 464 CB GLU A 32 0.754 14.248 9.902 1.00 0.39 C ATOM 465 CG GLU A 32 0.527 14.889 11.299 1.00 0.43 C ATOM 466 CD GLU A 32 -0.253 13.920 12.203 1.00 0.58 C ATOM 467 OE1 GLU A 32 0.334 12.901 12.534 1.00 0.73 O ATOM 468 OE2 GLU A 32 -1.386 14.255 12.511 1.00 0.83 O ATOM 0 H GLU A 32 1.083 13.923 7.417 1.00 0.33 H new ATOM 0 HA GLU A 32 0.996 16.188 8.968 1.00 0.33 H new ATOM 0 HB2 GLU A 32 -0.202 14.006 9.437 1.00 0.39 H new ATOM 0 HB3 GLU A 32 1.307 13.314 10.000 1.00 0.39 H new ATOM 0 HG2 GLU A 32 1.486 15.133 11.756 1.00 0.43 H new ATOM 0 HG3 GLU A 32 -0.023 15.824 11.194 1.00 0.43 H new ATOM 475 N LYS A 33 3.751 14.476 9.588 1.00 0.29 N ATOM 476 CA LYS A 33 5.112 14.605 10.186 1.00 0.32 C ATOM 477 C LYS A 33 5.954 15.732 9.593 1.00 0.32 C ATOM 478 O LYS A 33 6.441 16.557 10.342 1.00 0.41 O ATOM 479 CB LYS A 33 5.849 13.258 10.019 1.00 0.41 C ATOM 480 CG LYS A 33 5.077 12.170 10.795 1.00 0.53 C ATOM 481 CD LYS A 33 5.746 10.795 10.582 1.00 0.70 C ATOM 482 CE LYS A 33 4.888 9.704 11.253 1.00 0.93 C ATOM 483 NZ LYS A 33 4.795 9.938 12.726 1.00 1.11 N ATOM 0 H LYS A 33 3.556 13.580 9.142 1.00 0.29 H new ATOM 0 HA LYS A 33 4.976 14.863 11.236 1.00 0.32 H new ATOM 0 HB2 LYS A 33 5.917 12.993 8.964 1.00 0.41 H new ATOM 0 HB3 LYS A 33 6.869 13.337 10.394 1.00 0.41 H new ATOM 0 HG2 LYS A 33 5.058 12.414 11.857 1.00 0.53 H new ATOM 0 HG3 LYS A 33 4.041 12.136 10.457 1.00 0.53 H new ATOM 0 HD2 LYS A 33 5.850 10.589 9.517 1.00 0.70 H new ATOM 0 HD3 LYS A 33 6.750 10.796 11.006 1.00 0.70 H new ATOM 0 HE2 LYS A 33 3.889 9.700 10.816 1.00 0.93 H new ATOM 0 HE3 LYS A 33 5.323 8.723 11.062 1.00 0.93 H new ATOM 0 HZ1 LYS A 33 4.408 9.091 13.188 1.00 1.11 H new ATOM 0 HZ2 LYS A 33 5.742 10.138 13.106 1.00 1.11 H new ATOM 0 HZ3 LYS A 33 4.170 10.749 12.910 1.00 1.11 H new ATOM 497 N VAL A 34 6.108 15.769 8.295 1.00 0.31 N ATOM 498 CA VAL A 34 6.939 16.870 7.701 1.00 0.34 C ATOM 499 C VAL A 34 6.338 18.232 8.055 1.00 0.32 C ATOM 500 O VAL A 34 7.032 19.106 8.538 1.00 0.45 O ATOM 501 CB VAL A 34 7.005 16.674 6.156 1.00 0.41 C ATOM 502 CG1 VAL A 34 7.926 17.754 5.542 1.00 0.51 C ATOM 503 CG2 VAL A 34 7.609 15.288 5.831 1.00 0.58 C ATOM 0 H VAL A 34 5.708 15.106 7.631 1.00 0.31 H new ATOM 0 HA VAL A 34 7.949 16.835 8.108 1.00 0.34 H new ATOM 0 HB VAL A 34 5.998 16.751 5.746 1.00 0.41 H new ATOM 0 HG11 VAL A 34 7.974 17.620 4.461 1.00 0.51 H new ATOM 0 HG12 VAL A 34 7.527 18.743 5.767 1.00 0.51 H new ATOM 0 HG13 VAL A 34 8.927 17.662 5.964 1.00 0.51 H new ATOM 0 HG21 VAL A 34 7.653 15.155 4.750 1.00 0.58 H new ATOM 0 HG22 VAL A 34 8.615 15.223 6.246 1.00 0.58 H new ATOM 0 HG23 VAL A 34 6.985 14.508 6.267 1.00 0.58 H new ATOM 513 N PHE A 35 5.063 18.373 7.816 1.00 0.24 N ATOM 514 CA PHE A 35 4.380 19.658 8.129 1.00 0.31 C ATOM 515 C PHE A 35 4.564 19.995 9.614 1.00 0.34 C ATOM 516 O PHE A 35 4.921 21.108 9.937 1.00 0.43 O ATOM 517 CB PHE A 35 2.889 19.517 7.771 1.00 0.38 C ATOM 518 CG PHE A 35 2.618 19.765 6.268 1.00 0.35 C ATOM 519 CD1 PHE A 35 3.243 20.792 5.570 1.00 0.40 C ATOM 520 CD2 PHE A 35 1.717 18.962 5.592 1.00 0.39 C ATOM 521 CE1 PHE A 35 2.974 21.006 4.235 1.00 0.46 C ATOM 522 CE2 PHE A 35 1.448 19.178 4.255 1.00 0.45 C ATOM 523 CZ PHE A 35 2.075 20.199 3.574 1.00 0.48 C ATOM 0 H PHE A 35 4.464 17.651 7.416 1.00 0.24 H new ATOM 0 HA PHE A 35 4.811 20.472 7.547 1.00 0.31 H new ATOM 0 HB2 PHE A 35 2.547 18.518 8.039 1.00 0.38 H new ATOM 0 HB3 PHE A 35 2.307 20.223 8.364 1.00 0.38 H new ATOM 0 HD1 PHE A 35 3.949 21.431 6.080 1.00 0.40 H new ATOM 0 HD2 PHE A 35 1.219 18.159 6.115 1.00 0.39 H new ATOM 0 HE1 PHE A 35 3.469 21.808 3.707 1.00 0.46 H new ATOM 0 HE2 PHE A 35 0.742 18.543 3.740 1.00 0.45 H new ATOM 0 HZ PHE A 35 1.863 20.365 2.528 1.00 0.48 H new ATOM 533 N LYS A 36 4.323 19.045 10.487 1.00 0.36 N ATOM 534 CA LYS A 36 4.481 19.296 11.949 1.00 0.42 C ATOM 535 C LYS A 36 5.905 19.789 12.221 1.00 0.45 C ATOM 536 O LYS A 36 6.053 20.814 12.853 1.00 0.57 O ATOM 537 CB LYS A 36 4.180 17.976 12.705 1.00 0.49 C ATOM 538 CG LYS A 36 4.284 18.208 14.235 1.00 0.70 C ATOM 539 CD LYS A 36 3.637 17.051 15.053 1.00 0.82 C ATOM 540 CE LYS A 36 4.368 15.698 14.883 1.00 0.97 C ATOM 541 NZ LYS A 36 4.141 15.115 13.528 1.00 1.02 N ATOM 0 H LYS A 36 4.022 18.101 10.244 1.00 0.36 H new ATOM 0 HA LYS A 36 3.788 20.063 12.295 1.00 0.42 H new ATOM 0 HB2 LYS A 36 3.182 17.620 12.449 1.00 0.49 H new ATOM 0 HB3 LYS A 36 4.883 17.202 12.397 1.00 0.49 H new ATOM 0 HG2 LYS A 36 5.333 18.306 14.515 1.00 0.70 H new ATOM 0 HG3 LYS A 36 3.796 19.148 14.492 1.00 0.70 H new ATOM 0 HD2 LYS A 36 3.629 17.322 16.109 1.00 0.82 H new ATOM 0 HD3 LYS A 36 2.597 16.936 14.746 1.00 0.82 H new ATOM 0 HE2 LYS A 36 5.437 15.839 15.044 1.00 0.97 H new ATOM 0 HE3 LYS A 36 4.020 14.998 15.643 1.00 0.97 H new ATOM 0 HZ1 LYS A 36 3.922 14.102 13.618 1.00 1.02 H new ATOM 0 HZ2 LYS A 36 3.344 15.602 13.070 1.00 1.02 H new ATOM 0 HZ3 LYS A 36 4.998 15.234 12.951 1.00 1.02 H new ATOM 555 N GLN A 37 6.901 19.070 11.753 1.00 0.43 N ATOM 556 CA GLN A 37 8.323 19.493 11.973 1.00 0.49 C ATOM 557 C GLN A 37 8.434 20.988 11.622 1.00 0.48 C ATOM 558 O GLN A 37 8.855 21.788 12.429 1.00 0.56 O ATOM 559 CB GLN A 37 9.231 18.637 11.066 1.00 0.53 C ATOM 560 CG GLN A 37 10.713 18.963 11.345 1.00 0.70 C ATOM 561 CD GLN A 37 11.601 18.077 10.462 1.00 0.82 C ATOM 562 OE1 GLN A 37 11.588 16.866 10.560 1.00 0.96 O ATOM 563 NE2 GLN A 37 12.387 18.639 9.586 1.00 0.94 N ATOM 0 H GLN A 37 6.789 18.204 11.226 1.00 0.43 H new ATOM 0 HA GLN A 37 8.632 19.349 13.008 1.00 0.49 H new ATOM 0 HB2 GLN A 37 9.043 17.578 11.245 1.00 0.53 H new ATOM 0 HB3 GLN A 37 8.999 18.830 10.019 1.00 0.53 H new ATOM 0 HG2 GLN A 37 10.911 20.015 11.140 1.00 0.70 H new ATOM 0 HG3 GLN A 37 10.943 18.794 12.397 1.00 0.70 H new ATOM 0 HE21 GLN A 37 12.406 19.655 9.495 1.00 0.94 H new ATOM 0 HE22 GLN A 37 12.983 18.063 8.992 1.00 0.94 H new ATOM 572 N TYR A 38 8.039 21.300 10.415 1.00 0.41 N ATOM 573 CA TYR A 38 8.069 22.706 9.901 1.00 0.41 C ATOM 574 C TYR A 38 7.371 23.691 10.863 1.00 0.41 C ATOM 575 O TYR A 38 7.964 24.639 11.337 1.00 0.45 O ATOM 576 CB TYR A 38 7.394 22.675 8.500 1.00 0.47 C ATOM 577 CG TYR A 38 6.940 24.066 8.020 1.00 0.45 C ATOM 578 CD1 TYR A 38 7.846 25.092 7.822 1.00 0.61 C ATOM 579 CD2 TYR A 38 5.596 24.299 7.776 1.00 0.64 C ATOM 580 CE1 TYR A 38 7.414 26.329 7.386 1.00 0.81 C ATOM 581 CE2 TYR A 38 5.167 25.536 7.341 1.00 0.77 C ATOM 582 CZ TYR A 38 6.074 26.557 7.143 1.00 0.82 C ATOM 583 OH TYR A 38 5.648 27.793 6.703 1.00 1.07 O ATOM 0 H TYR A 38 7.686 20.619 9.743 1.00 0.41 H new ATOM 0 HA TYR A 38 9.094 23.069 9.827 1.00 0.41 H new ATOM 0 HB2 TYR A 38 8.093 22.257 7.775 1.00 0.47 H new ATOM 0 HB3 TYR A 38 6.532 22.009 8.533 1.00 0.47 H new ATOM 0 HD1 TYR A 38 8.896 24.925 8.009 1.00 0.61 H new ATOM 0 HD2 TYR A 38 4.879 23.506 7.928 1.00 0.64 H new ATOM 0 HE1 TYR A 38 8.129 27.124 7.234 1.00 0.81 H new ATOM 0 HE2 TYR A 38 4.117 25.706 7.155 1.00 0.77 H new ATOM 0 HH TYR A 38 6.358 28.215 6.176 1.00 1.07 H new ATOM 593 N ALA A 39 6.121 23.427 11.136 1.00 0.41 N ATOM 594 CA ALA A 39 5.329 24.308 12.051 1.00 0.45 C ATOM 595 C ALA A 39 5.881 24.363 13.476 1.00 0.48 C ATOM 596 O ALA A 39 5.640 25.332 14.165 1.00 0.62 O ATOM 597 CB ALA A 39 3.880 23.806 12.079 1.00 0.48 C ATOM 0 H ALA A 39 5.607 22.630 10.761 1.00 0.41 H new ATOM 0 HA ALA A 39 5.392 25.323 11.660 1.00 0.45 H new ATOM 0 HB1 ALA A 39 3.289 24.438 12.742 1.00 0.48 H new ATOM 0 HB2 ALA A 39 3.462 23.844 11.073 1.00 0.48 H new ATOM 0 HB3 ALA A 39 3.858 22.778 12.442 1.00 0.48 H new ATOM 603 N ASN A 40 6.596 23.341 13.874 1.00 0.49 N ATOM 604 CA ASN A 40 7.186 23.300 15.250 1.00 0.52 C ATOM 605 C ASN A 40 8.394 24.243 15.202 1.00 0.50 C ATOM 606 O ASN A 40 8.495 25.154 16.002 1.00 0.57 O ATOM 607 CB ASN A 40 7.615 21.851 15.564 1.00 0.59 C ATOM 608 CG ASN A 40 8.175 21.763 16.990 1.00 0.76 C ATOM 609 OD1 ASN A 40 7.462 21.910 17.960 1.00 1.12 O ATOM 610 ND2 ASN A 40 9.447 21.528 17.157 1.00 0.97 N ATOM 0 H ASN A 40 6.799 22.524 13.299 1.00 0.49 H new ATOM 0 HA ASN A 40 6.487 23.608 16.027 1.00 0.52 H new ATOM 0 HB2 ASN A 40 6.762 21.180 15.458 1.00 0.59 H new ATOM 0 HB3 ASN A 40 8.369 21.524 14.848 1.00 0.59 H new ATOM 0 HD21 ASN A 40 9.835 21.469 18.098 1.00 0.97 H new ATOM 0 HD22 ASN A 40 10.053 21.403 16.346 1.00 0.97 H new ATOM 617 N ASP A 41 9.262 23.969 14.257 1.00 0.51 N ATOM 618 CA ASP A 41 10.505 24.766 14.025 1.00 0.54 C ATOM 619 C ASP A 41 10.140 26.250 14.124 1.00 0.53 C ATOM 620 O ASP A 41 10.752 27.014 14.846 1.00 0.66 O ATOM 621 CB ASP A 41 11.032 24.426 12.635 1.00 0.61 C ATOM 622 CG ASP A 41 12.319 25.211 12.321 1.00 0.82 C ATOM 623 OD1 ASP A 41 13.298 24.966 13.010 1.00 1.00 O ATOM 624 OD2 ASP A 41 12.249 26.015 11.404 1.00 0.92 O ATOM 0 H ASP A 41 9.151 23.189 13.609 1.00 0.51 H new ATOM 0 HA ASP A 41 11.276 24.539 14.761 1.00 0.54 H new ATOM 0 HB2 ASP A 41 11.230 23.356 12.570 1.00 0.61 H new ATOM 0 HB3 ASP A 41 10.272 24.655 11.889 1.00 0.61 H new ATOM 629 N ASN A 42 9.123 26.575 13.365 1.00 0.49 N ATOM 630 CA ASN A 42 8.598 27.970 13.315 1.00 0.48 C ATOM 631 C ASN A 42 8.041 28.370 14.700 1.00 0.51 C ATOM 632 O ASN A 42 8.519 29.312 15.300 1.00 0.62 O ATOM 633 CB ASN A 42 7.502 28.019 12.245 1.00 0.49 C ATOM 634 CG ASN A 42 7.032 29.466 12.052 1.00 0.51 C ATOM 635 OD1 ASN A 42 7.755 30.305 11.556 1.00 0.70 O ATOM 636 ND2 ASN A 42 5.831 29.799 12.432 1.00 0.61 N ATOM 0 H ASN A 42 8.626 25.916 12.766 1.00 0.49 H new ATOM 0 HA ASN A 42 9.390 28.675 13.062 1.00 0.48 H new ATOM 0 HB2 ASN A 42 7.881 27.621 11.304 1.00 0.49 H new ATOM 0 HB3 ASN A 42 6.662 27.390 12.542 1.00 0.49 H new ATOM 0 HD21 ASN A 42 5.506 30.758 12.312 1.00 0.61 H new ATOM 0 HD22 ASN A 42 5.216 29.101 12.850 1.00 0.61 H new ATOM 643 N GLY A 43 7.050 27.640 15.158 1.00 0.50 N ATOM 644 CA GLY A 43 6.409 27.906 16.486 1.00 0.58 C ATOM 645 C GLY A 43 4.976 28.421 16.305 1.00 0.51 C ATOM 646 O GLY A 43 4.603 29.413 16.903 1.00 0.58 O ATOM 0 H GLY A 43 6.649 26.850 14.652 1.00 0.50 H new ATOM 0 HA2 GLY A 43 6.400 26.992 17.080 1.00 0.58 H new ATOM 0 HA3 GLY A 43 6.997 28.639 17.038 1.00 0.58 H new ATOM 650 N VAL A 44 4.220 27.731 15.486 1.00 0.47 N ATOM 651 CA VAL A 44 2.795 28.128 15.220 1.00 0.45 C ATOM 652 C VAL A 44 1.839 26.925 15.385 1.00 0.42 C ATOM 653 O VAL A 44 1.232 26.457 14.441 1.00 0.57 O ATOM 654 CB VAL A 44 2.772 28.750 13.772 1.00 0.56 C ATOM 655 CG1 VAL A 44 3.256 27.741 12.691 1.00 0.62 C ATOM 656 CG2 VAL A 44 1.359 29.273 13.409 1.00 0.64 C ATOM 0 H VAL A 44 4.530 26.900 14.983 1.00 0.47 H new ATOM 0 HA VAL A 44 2.438 28.863 15.941 1.00 0.45 H new ATOM 0 HB VAL A 44 3.468 29.588 13.784 1.00 0.56 H new ATOM 0 HG11 VAL A 44 3.223 28.215 11.710 1.00 0.62 H new ATOM 0 HG12 VAL A 44 4.279 27.434 12.911 1.00 0.62 H new ATOM 0 HG13 VAL A 44 2.606 26.866 12.693 1.00 0.62 H new ATOM 0 HG21 VAL A 44 1.375 29.696 12.405 1.00 0.64 H new ATOM 0 HG22 VAL A 44 0.646 28.449 13.445 1.00 0.64 H new ATOM 0 HG23 VAL A 44 1.061 30.042 14.122 1.00 0.64 H new ATOM 666 N ASP A 45 1.734 26.456 16.605 1.00 0.35 N ATOM 667 CA ASP A 45 0.837 25.288 16.897 1.00 0.33 C ATOM 668 C ASP A 45 -0.184 25.536 18.026 1.00 0.30 C ATOM 669 O ASP A 45 0.008 26.357 18.900 1.00 0.52 O ATOM 670 CB ASP A 45 1.743 24.083 17.247 1.00 0.50 C ATOM 671 CG ASP A 45 0.895 22.856 17.645 1.00 0.49 C ATOM 672 OD1 ASP A 45 0.092 22.453 16.820 1.00 0.58 O ATOM 673 OD2 ASP A 45 1.099 22.392 18.755 1.00 0.69 O ATOM 0 H ASP A 45 2.230 26.830 17.414 1.00 0.35 H new ATOM 0 HA ASP A 45 0.232 25.102 16.010 1.00 0.33 H new ATOM 0 HB2 ASP A 45 2.371 23.834 16.392 1.00 0.50 H new ATOM 0 HB3 ASP A 45 2.411 24.350 18.066 1.00 0.50 H new ATOM 678 N GLY A 46 -1.247 24.777 17.928 1.00 0.27 N ATOM 679 CA GLY A 46 -2.387 24.813 18.897 1.00 0.33 C ATOM 680 C GLY A 46 -3.278 23.615 18.550 1.00 0.29 C ATOM 681 O GLY A 46 -3.543 22.747 19.357 1.00 0.48 O ATOM 0 H GLY A 46 -1.376 24.100 17.176 1.00 0.27 H new ATOM 0 HA2 GLY A 46 -2.028 24.747 19.924 1.00 0.33 H new ATOM 0 HA3 GLY A 46 -2.941 25.748 18.813 1.00 0.33 H new ATOM 685 N GLU A 47 -3.700 23.651 17.312 1.00 0.24 N ATOM 686 CA GLU A 47 -4.579 22.616 16.690 1.00 0.31 C ATOM 687 C GLU A 47 -3.763 22.248 15.449 1.00 0.31 C ATOM 688 O GLU A 47 -3.377 23.139 14.723 1.00 0.43 O ATOM 689 CB GLU A 47 -5.937 23.287 16.368 1.00 0.42 C ATOM 690 CG GLU A 47 -6.830 22.398 15.467 1.00 0.45 C ATOM 691 CD GLU A 47 -6.302 22.388 14.013 1.00 0.45 C ATOM 692 OE1 GLU A 47 -6.240 23.469 13.444 1.00 0.57 O ATOM 693 OE2 GLU A 47 -5.994 21.294 13.570 1.00 0.52 O ATOM 0 H GLU A 47 -3.453 24.404 16.670 1.00 0.24 H new ATOM 0 HA GLU A 47 -4.822 21.737 17.288 1.00 0.31 H new ATOM 0 HB2 GLU A 47 -6.463 23.503 17.298 1.00 0.42 H new ATOM 0 HB3 GLU A 47 -5.760 24.242 15.873 1.00 0.42 H new ATOM 0 HG2 GLU A 47 -6.852 21.381 15.858 1.00 0.45 H new ATOM 0 HG3 GLU A 47 -7.855 22.768 15.484 1.00 0.45 H new ATOM 700 N TRP A 48 -3.515 20.984 15.225 1.00 0.28 N ATOM 701 CA TRP A 48 -2.705 20.587 14.024 1.00 0.26 C ATOM 702 C TRP A 48 -3.285 19.311 13.392 1.00 0.27 C ATOM 703 O TRP A 48 -3.038 18.226 13.886 1.00 0.40 O ATOM 704 CB TRP A 48 -1.335 20.393 14.542 1.00 0.27 C ATOM 705 CG TRP A 48 -0.157 20.762 13.635 1.00 0.24 C ATOM 706 CD1 TRP A 48 1.051 20.950 14.201 1.00 0.28 C ATOM 707 CD2 TRP A 48 -0.058 20.964 12.301 1.00 0.26 C ATOM 708 NE1 TRP A 48 1.830 21.258 13.194 1.00 0.31 N ATOM 709 CE2 TRP A 48 1.254 21.293 12.009 1.00 0.28 C ATOM 710 CE3 TRP A 48 -0.966 20.910 11.269 1.00 0.32 C ATOM 711 CZ2 TRP A 48 1.651 21.562 10.723 1.00 0.33 C ATOM 712 CZ3 TRP A 48 -0.571 21.178 9.981 1.00 0.35 C ATOM 713 CH2 TRP A 48 0.734 21.503 9.709 1.00 0.34 C ATOM 0 H TRP A 48 -3.832 20.213 15.812 1.00 0.28 H new ATOM 0 HA TRP A 48 -2.717 21.335 13.231 1.00 0.26 H new ATOM 0 HB2 TRP A 48 -1.242 20.972 15.461 1.00 0.27 H new ATOM 0 HB3 TRP A 48 -1.228 19.343 14.815 1.00 0.27 H new ATOM 0 HD1 TRP A 48 1.316 20.866 15.245 1.00 0.28 H new ATOM 0 HE1 TRP A 48 2.822 21.459 13.319 1.00 0.31 H new ATOM 0 HE3 TRP A 48 -1.996 20.655 11.473 1.00 0.32 H new ATOM 0 HZ2 TRP A 48 2.679 21.818 10.513 1.00 0.33 H new ATOM 0 HZ3 TRP A 48 -1.292 21.133 9.178 1.00 0.35 H new ATOM 0 HH2 TRP A 48 1.038 21.712 8.694 1.00 0.34 H new ATOM 724 N THR A 49 -4.036 19.447 12.335 1.00 0.25 N ATOM 725 CA THR A 49 -4.626 18.228 11.688 1.00 0.26 C ATOM 726 C THR A 49 -4.834 18.464 10.210 1.00 0.25 C ATOM 727 O THR A 49 -4.434 19.483 9.703 1.00 0.31 O ATOM 728 CB THR A 49 -5.981 17.861 12.316 1.00 0.31 C ATOM 729 OG1 THR A 49 -5.949 18.306 13.664 1.00 0.40 O ATOM 730 CG2 THR A 49 -5.981 16.341 12.475 1.00 0.38 C ATOM 0 H THR A 49 -4.268 20.335 11.891 1.00 0.25 H new ATOM 0 HA THR A 49 -3.924 17.409 11.844 1.00 0.26 H new ATOM 0 HB THR A 49 -6.805 18.265 11.728 1.00 0.31 H new ATOM 0 HG1 THR A 49 -6.089 19.276 13.692 1.00 0.40 H new ATOM 0 HG21 THR A 49 -6.924 16.022 12.919 1.00 0.38 H new ATOM 0 HG22 THR A 49 -5.863 15.873 11.498 1.00 0.38 H new ATOM 0 HG23 THR A 49 -5.156 16.043 13.122 1.00 0.38 H new ATOM 738 N TYR A 50 -5.460 17.527 9.551 1.00 0.22 N ATOM 739 CA TYR A 50 -5.710 17.657 8.086 1.00 0.22 C ATOM 740 C TYR A 50 -7.171 17.861 7.659 1.00 0.24 C ATOM 741 O TYR A 50 -8.098 17.730 8.433 1.00 0.37 O ATOM 742 CB TYR A 50 -5.065 16.384 7.465 1.00 0.27 C ATOM 743 CG TYR A 50 -6.019 15.401 6.766 1.00 0.27 C ATOM 744 CD1 TYR A 50 -7.018 14.753 7.468 1.00 0.48 C ATOM 745 CD2 TYR A 50 -5.873 15.139 5.418 1.00 0.39 C ATOM 746 CE1 TYR A 50 -7.855 13.858 6.832 1.00 0.59 C ATOM 747 CE2 TYR A 50 -6.707 14.244 4.780 1.00 0.46 C ATOM 748 CZ TYR A 50 -7.703 13.597 5.483 1.00 0.51 C ATOM 749 OH TYR A 50 -8.526 12.691 4.844 1.00 0.65 O ATOM 0 H TYR A 50 -5.813 16.667 9.970 1.00 0.22 H new ATOM 0 HA TYR A 50 -5.267 18.583 7.720 1.00 0.22 H new ATOM 0 HB2 TYR A 50 -4.313 16.701 6.743 1.00 0.27 H new ATOM 0 HB3 TYR A 50 -4.541 15.847 8.256 1.00 0.27 H new ATOM 0 HD1 TYR A 50 -7.145 14.948 8.523 1.00 0.48 H new ATOM 0 HD2 TYR A 50 -5.098 15.640 4.857 1.00 0.39 H new ATOM 0 HE1 TYR A 50 -8.633 13.359 7.391 1.00 0.59 H new ATOM 0 HE2 TYR A 50 -6.580 14.049 3.725 1.00 0.46 H new ATOM 0 HH TYR A 50 -8.277 12.634 3.898 1.00 0.65 H new ATOM 759 N ASP A 51 -7.277 18.184 6.394 1.00 0.26 N ATOM 760 CA ASP A 51 -8.568 18.447 5.696 1.00 0.34 C ATOM 761 C ASP A 51 -8.730 17.445 4.560 1.00 0.33 C ATOM 762 O ASP A 51 -7.781 17.088 3.888 1.00 0.36 O ATOM 763 CB ASP A 51 -8.527 19.878 5.166 1.00 0.41 C ATOM 764 CG ASP A 51 -9.789 20.160 4.350 1.00 0.52 C ATOM 765 OD1 ASP A 51 -10.849 20.226 4.950 1.00 0.63 O ATOM 766 OD2 ASP A 51 -9.614 20.284 3.152 1.00 0.60 O ATOM 0 H ASP A 51 -6.466 18.281 5.783 1.00 0.26 H new ATOM 0 HA ASP A 51 -9.417 18.336 6.370 1.00 0.34 H new ATOM 0 HB2 ASP A 51 -8.453 20.582 5.995 1.00 0.41 H new ATOM 0 HB3 ASP A 51 -7.642 20.022 4.547 1.00 0.41 H new ATOM 771 N ASP A 52 -9.958 17.038 4.396 1.00 0.44 N ATOM 772 CA ASP A 52 -10.315 16.058 3.334 1.00 0.51 C ATOM 773 C ASP A 52 -11.376 16.679 2.425 1.00 0.62 C ATOM 774 O ASP A 52 -12.140 15.983 1.784 1.00 0.80 O ATOM 775 CB ASP A 52 -10.846 14.782 4.018 1.00 0.59 C ATOM 776 CG ASP A 52 -12.124 15.084 4.830 1.00 0.68 C ATOM 777 OD1 ASP A 52 -11.994 15.780 5.825 1.00 0.70 O ATOM 778 OD2 ASP A 52 -13.161 14.603 4.403 1.00 0.95 O ATOM 0 H ASP A 52 -10.744 17.350 4.966 1.00 0.44 H new ATOM 0 HA ASP A 52 -9.449 15.801 2.724 1.00 0.51 H new ATOM 0 HB2 ASP A 52 -11.059 14.023 3.265 1.00 0.59 H new ATOM 0 HB3 ASP A 52 -10.080 14.372 4.676 1.00 0.59 H new ATOM 783 N ALA A 53 -11.375 17.988 2.403 1.00 0.60 N ATOM 784 CA ALA A 53 -12.360 18.731 1.551 1.00 0.70 C ATOM 785 C ALA A 53 -11.663 19.163 0.254 1.00 0.67 C ATOM 786 O ALA A 53 -12.158 18.911 -0.827 1.00 0.77 O ATOM 787 CB ALA A 53 -12.863 19.964 2.322 1.00 0.78 C ATOM 0 H ALA A 53 -10.736 18.576 2.937 1.00 0.60 H new ATOM 0 HA ALA A 53 -13.211 18.094 1.308 1.00 0.70 H new ATOM 0 HB1 ALA A 53 -13.580 20.509 1.708 1.00 0.78 H new ATOM 0 HB2 ALA A 53 -13.345 19.644 3.245 1.00 0.78 H new ATOM 0 HB3 ALA A 53 -12.020 20.614 2.559 1.00 0.78 H new ATOM 793 N THR A 54 -10.533 19.801 0.410 1.00 0.58 N ATOM 794 CA THR A 54 -9.721 20.289 -0.740 1.00 0.54 C ATOM 795 C THR A 54 -8.289 19.732 -0.594 1.00 0.42 C ATOM 796 O THR A 54 -7.310 20.391 -0.882 1.00 0.43 O ATOM 797 CB THR A 54 -9.781 21.849 -0.711 1.00 0.62 C ATOM 798 OG1 THR A 54 -8.867 22.291 -1.706 1.00 0.63 O ATOM 799 CG2 THR A 54 -9.282 22.443 0.620 1.00 0.62 C ATOM 0 H THR A 54 -10.127 20.010 1.322 1.00 0.58 H new ATOM 0 HA THR A 54 -10.097 19.950 -1.705 1.00 0.54 H new ATOM 0 HB THR A 54 -10.815 22.160 -0.861 1.00 0.62 H new ATOM 0 HG1 THR A 54 -8.090 21.694 -1.725 1.00 0.63 H new ATOM 0 HG21 THR A 54 -9.347 23.530 0.580 1.00 0.62 H new ATOM 0 HG22 THR A 54 -9.899 22.072 1.438 1.00 0.62 H new ATOM 0 HG23 THR A 54 -8.246 22.148 0.784 1.00 0.62 H new ATOM 807 N LYS A 55 -8.249 18.500 -0.145 1.00 0.43 N ATOM 808 CA LYS A 55 -6.984 17.721 0.084 1.00 0.38 C ATOM 809 C LYS A 55 -5.801 18.600 0.516 1.00 0.27 C ATOM 810 O LYS A 55 -4.757 18.680 -0.104 1.00 0.30 O ATOM 811 CB LYS A 55 -6.663 16.960 -1.230 1.00 0.50 C ATOM 812 CG LYS A 55 -7.854 16.050 -1.648 1.00 0.80 C ATOM 813 CD LYS A 55 -8.181 15.020 -0.535 1.00 1.04 C ATOM 814 CE LYS A 55 -9.324 14.102 -0.992 1.00 1.38 C ATOM 815 NZ LYS A 55 -9.680 13.155 0.106 1.00 1.67 N ATOM 0 H LYS A 55 -9.091 17.973 0.085 1.00 0.43 H new ATOM 0 HA LYS A 55 -7.140 17.029 0.911 1.00 0.38 H new ATOM 0 HB2 LYS A 55 -6.448 17.674 -2.025 1.00 0.50 H new ATOM 0 HB3 LYS A 55 -5.767 16.354 -1.095 1.00 0.50 H new ATOM 0 HG2 LYS A 55 -8.732 16.663 -1.851 1.00 0.80 H new ATOM 0 HG3 LYS A 55 -7.610 15.527 -2.573 1.00 0.80 H new ATOM 0 HD2 LYS A 55 -7.296 14.427 -0.305 1.00 1.04 H new ATOM 0 HD3 LYS A 55 -8.464 15.539 0.381 1.00 1.04 H new ATOM 0 HE2 LYS A 55 -10.194 14.698 -1.267 1.00 1.38 H new ATOM 0 HE3 LYS A 55 -9.024 13.547 -1.881 1.00 1.38 H new ATOM 0 HZ1 LYS A 55 -10.454 12.535 -0.207 1.00 1.67 H new ATOM 0 HZ2 LYS A 55 -8.850 12.577 0.348 1.00 1.67 H new ATOM 0 HZ3 LYS A 55 -9.984 13.692 0.943 1.00 1.67 H new ATOM 829 N THR A 56 -6.067 19.238 1.620 1.00 0.22 N ATOM 830 CA THR A 56 -5.090 20.170 2.271 1.00 0.19 C ATOM 831 C THR A 56 -4.872 19.747 3.728 1.00 0.17 C ATOM 832 O THR A 56 -5.564 18.889 4.238 1.00 0.22 O ATOM 833 CB THR A 56 -5.704 21.576 2.123 1.00 0.28 C ATOM 834 OG1 THR A 56 -5.608 21.831 0.727 1.00 0.32 O ATOM 835 CG2 THR A 56 -4.869 22.693 2.744 1.00 0.52 C ATOM 0 H THR A 56 -6.952 19.152 2.119 1.00 0.22 H new ATOM 0 HA THR A 56 -4.101 20.154 1.813 1.00 0.19 H new ATOM 0 HB THR A 56 -6.689 21.577 2.589 1.00 0.28 H new ATOM 0 HG1 THR A 56 -6.284 21.305 0.251 1.00 0.32 H new ATOM 0 HG21 THR A 56 -5.372 23.649 2.596 1.00 0.52 H new ATOM 0 HG22 THR A 56 -4.750 22.508 3.811 1.00 0.52 H new ATOM 0 HG23 THR A 56 -3.888 22.721 2.269 1.00 0.52 H new ATOM 843 N PHE A 57 -3.907 20.360 4.361 1.00 0.19 N ATOM 844 CA PHE A 57 -3.595 20.042 5.788 1.00 0.21 C ATOM 845 C PHE A 57 -3.788 21.391 6.502 1.00 0.20 C ATOM 846 O PHE A 57 -3.692 22.421 5.867 1.00 0.21 O ATOM 847 CB PHE A 57 -2.155 19.523 5.842 1.00 0.22 C ATOM 848 CG PHE A 57 -2.026 18.394 6.881 1.00 0.24 C ATOM 849 CD1 PHE A 57 -2.153 18.649 8.225 1.00 0.31 C ATOM 850 CD2 PHE A 57 -1.800 17.088 6.469 1.00 0.31 C ATOM 851 CE1 PHE A 57 -2.065 17.633 9.152 1.00 0.37 C ATOM 852 CE2 PHE A 57 -1.710 16.066 7.395 1.00 0.38 C ATOM 853 CZ PHE A 57 -1.845 16.341 8.740 1.00 0.38 C ATOM 0 H PHE A 57 -3.313 21.077 3.945 1.00 0.19 H new ATOM 0 HA PHE A 57 -4.214 19.275 6.253 1.00 0.21 H new ATOM 0 HB2 PHE A 57 -1.857 19.157 4.860 1.00 0.22 H new ATOM 0 HB3 PHE A 57 -1.478 20.338 6.097 1.00 0.22 H new ATOM 0 HD1 PHE A 57 -2.324 19.661 8.560 1.00 0.31 H new ATOM 0 HD2 PHE A 57 -1.694 16.869 5.417 1.00 0.31 H new ATOM 0 HE1 PHE A 57 -2.169 17.853 10.204 1.00 0.37 H new ATOM 0 HE2 PHE A 57 -1.534 15.053 7.066 1.00 0.38 H new ATOM 0 HZ PHE A 57 -1.778 15.544 9.466 1.00 0.38 H new ATOM 863 N THR A 58 -4.047 21.408 7.782 1.00 0.24 N ATOM 864 CA THR A 58 -4.250 22.731 8.471 1.00 0.28 C ATOM 865 C THR A 58 -3.731 22.820 9.900 1.00 0.28 C ATOM 866 O THR A 58 -3.772 21.868 10.652 1.00 0.36 O ATOM 867 CB THR A 58 -5.703 23.076 8.608 1.00 0.31 C ATOM 868 OG1 THR A 58 -6.377 22.529 7.481 1.00 0.34 O ATOM 869 CG2 THR A 58 -5.947 24.589 8.488 1.00 0.43 C ATOM 0 H THR A 58 -4.127 20.584 8.377 1.00 0.24 H new ATOM 0 HA THR A 58 -3.689 23.402 7.821 1.00 0.28 H new ATOM 0 HB THR A 58 -6.041 22.704 9.575 1.00 0.31 H new ATOM 0 HG1 THR A 58 -7.333 22.736 7.540 1.00 0.34 H new ATOM 0 HG21 THR A 58 -7.012 24.795 8.593 1.00 0.43 H new ATOM 0 HG22 THR A 58 -5.398 25.109 9.272 1.00 0.43 H new ATOM 0 HG23 THR A 58 -5.605 24.937 7.513 1.00 0.43 H new ATOM 877 N VAL A 59 -3.279 23.998 10.214 1.00 0.30 N ATOM 878 CA VAL A 59 -2.748 24.269 11.572 1.00 0.28 C ATOM 879 C VAL A 59 -3.232 25.627 12.088 1.00 0.28 C ATOM 880 O VAL A 59 -3.351 26.595 11.362 1.00 0.36 O ATOM 881 CB VAL A 59 -1.250 24.211 11.459 1.00 0.29 C ATOM 882 CG1 VAL A 59 -0.783 25.238 10.493 1.00 0.32 C ATOM 883 CG2 VAL A 59 -0.545 24.352 12.824 1.00 0.34 C ATOM 0 H VAL A 59 -3.255 24.795 9.578 1.00 0.30 H new ATOM 0 HA VAL A 59 -3.104 23.534 12.294 1.00 0.28 H new ATOM 0 HB VAL A 59 -0.979 23.223 11.087 1.00 0.29 H new ATOM 0 HG11 VAL A 59 0.303 25.194 10.412 1.00 0.32 H new ATOM 0 HG12 VAL A 59 -1.227 25.047 9.516 1.00 0.32 H new ATOM 0 HG13 VAL A 59 -1.082 26.227 10.841 1.00 0.32 H new ATOM 0 HG21 VAL A 59 0.535 24.303 12.683 1.00 0.34 H new ATOM 0 HG22 VAL A 59 -0.809 25.310 13.273 1.00 0.34 H new ATOM 0 HG23 VAL A 59 -0.862 23.543 13.482 1.00 0.34 H new ATOM 893 N THR A 60 -3.498 25.636 13.359 1.00 0.29 N ATOM 894 CA THR A 60 -3.973 26.876 14.042 1.00 0.34 C ATOM 895 C THR A 60 -3.239 26.939 15.383 1.00 0.32 C ATOM 896 O THR A 60 -2.616 25.979 15.792 1.00 0.35 O ATOM 897 CB THR A 60 -5.495 26.778 14.243 1.00 0.41 C ATOM 898 OG1 THR A 60 -6.007 26.450 12.958 1.00 0.43 O ATOM 899 CG2 THR A 60 -6.121 28.152 14.558 1.00 0.55 C ATOM 0 H THR A 60 -3.406 24.824 13.969 1.00 0.29 H new ATOM 0 HA THR A 60 -3.771 27.776 13.462 1.00 0.34 H new ATOM 0 HB THR A 60 -5.712 26.076 15.048 1.00 0.41 H new ATOM 0 HG1 THR A 60 -6.158 25.483 12.903 1.00 0.43 H new ATOM 0 HG21 THR A 60 -7.197 28.039 14.693 1.00 0.55 H new ATOM 0 HG22 THR A 60 -5.681 28.552 15.471 1.00 0.55 H new ATOM 0 HG23 THR A 60 -5.929 28.837 13.732 1.00 0.55 H new ATOM 907 N GLU A 61 -3.346 28.064 16.032 1.00 0.38 N ATOM 908 CA GLU A 61 -2.685 28.274 17.350 1.00 0.40 C ATOM 909 C GLU A 61 -3.768 28.635 18.363 1.00 0.45 C ATOM 910 O GLU A 61 -3.695 29.614 19.081 1.00 0.59 O ATOM 911 CB GLU A 61 -1.618 29.411 17.196 1.00 0.50 C ATOM 912 CG GLU A 61 -2.200 30.722 16.589 1.00 0.66 C ATOM 913 CD GLU A 61 -2.609 30.535 15.109 1.00 1.08 C ATOM 914 OE1 GLU A 61 -1.727 30.228 14.321 1.00 1.27 O ATOM 915 OE2 GLU A 61 -3.789 30.714 14.852 1.00 1.57 O ATOM 0 H GLU A 61 -3.878 28.867 15.695 1.00 0.38 H new ATOM 0 HA GLU A 61 -2.170 27.379 17.698 1.00 0.40 H new ATOM 0 HB2 GLU A 61 -1.187 29.631 18.173 1.00 0.50 H new ATOM 0 HB3 GLU A 61 -0.806 29.055 16.563 1.00 0.50 H new ATOM 0 HG2 GLU A 61 -3.067 31.038 17.169 1.00 0.66 H new ATOM 0 HG3 GLU A 61 -1.459 31.518 16.664 1.00 0.66 H new ATOM 922 N LYS A 62 -4.756 27.778 18.366 1.00 0.47 N ATOM 923 CA LYS A 62 -5.928 27.932 19.279 1.00 0.55 C ATOM 924 C LYS A 62 -6.025 26.694 20.202 1.00 0.58 C ATOM 925 O LYS A 62 -5.338 25.720 19.963 1.00 0.60 O ATOM 926 CB LYS A 62 -7.197 28.086 18.398 1.00 0.66 C ATOM 927 CG LYS A 62 -7.530 26.787 17.611 1.00 0.61 C ATOM 928 CD LYS A 62 -8.896 26.973 16.909 1.00 0.68 C ATOM 929 CE LYS A 62 -9.297 25.688 16.158 1.00 0.68 C ATOM 930 NZ LYS A 62 -8.399 25.441 14.992 1.00 0.74 N ATOM 0 H LYS A 62 -4.800 26.959 17.760 1.00 0.47 H new ATOM 0 HA LYS A 62 -5.824 28.811 19.915 1.00 0.55 H new ATOM 0 HB2 LYS A 62 -8.045 28.353 19.029 1.00 0.66 H new ATOM 0 HB3 LYS A 62 -7.052 28.907 17.695 1.00 0.66 H new ATOM 0 HG2 LYS A 62 -6.752 26.580 16.876 1.00 0.61 H new ATOM 0 HG3 LYS A 62 -7.565 25.933 18.288 1.00 0.61 H new ATOM 0 HD2 LYS A 62 -9.659 27.224 17.646 1.00 0.68 H new ATOM 0 HD3 LYS A 62 -8.842 27.808 16.210 1.00 0.68 H new ATOM 0 HE2 LYS A 62 -9.255 24.838 16.839 1.00 0.68 H new ATOM 0 HE3 LYS A 62 -10.328 25.771 15.815 1.00 0.68 H new ATOM 0 HZ1 LYS A 62 -8.781 24.662 14.419 1.00 0.74 H new ATOM 0 HZ2 LYS A 62 -8.340 26.301 14.411 1.00 0.74 H new ATOM 0 HZ3 LYS A 62 -7.450 25.188 15.333 1.00 0.74 H new ATOM 944 N PRO A 63 -6.859 26.741 21.223 1.00 0.70 N ATOM 945 CA PRO A 63 -7.030 25.606 22.174 1.00 0.80 C ATOM 946 C PRO A 63 -7.731 24.409 21.511 1.00 0.86 C ATOM 947 O PRO A 63 -8.195 24.498 20.389 1.00 0.88 O ATOM 948 CB PRO A 63 -7.840 26.201 23.341 1.00 0.96 C ATOM 949 CG PRO A 63 -7.691 27.738 23.147 1.00 0.93 C ATOM 950 CD PRO A 63 -7.720 27.890 21.619 1.00 0.85 C ATOM 0 HA PRO A 63 -6.078 25.201 22.516 1.00 0.80 H new ATOM 0 HB2 PRO A 63 -8.885 25.892 23.302 1.00 0.96 H new ATOM 0 HB3 PRO A 63 -7.448 25.879 24.306 1.00 0.96 H new ATOM 0 HG2 PRO A 63 -8.503 28.287 23.624 1.00 0.93 H new ATOM 0 HG3 PRO A 63 -6.760 28.112 23.573 1.00 0.93 H new ATOM 0 HD2 PRO A 63 -8.728 27.813 21.213 1.00 0.85 H new ATOM 0 HD3 PRO A 63 -7.315 28.846 21.288 1.00 0.85 H new ATOM 958 N GLU A 64 -7.776 23.329 22.246 1.00 0.93 N ATOM 959 CA GLU A 64 -8.423 22.067 21.758 1.00 1.04 C ATOM 960 C GLU A 64 -9.513 21.586 22.739 1.00 1.18 C ATOM 961 O GLU A 64 -9.631 22.195 23.790 1.00 1.20 O ATOM 962 CB GLU A 64 -7.324 20.991 21.596 1.00 1.04 C ATOM 963 CG GLU A 64 -6.296 21.464 20.537 1.00 0.91 C ATOM 964 CD GLU A 64 -5.219 20.389 20.306 1.00 0.92 C ATOM 965 OE1 GLU A 64 -4.534 20.082 21.270 1.00 1.04 O ATOM 966 OE2 GLU A 64 -5.137 19.934 19.175 1.00 0.89 O ATOM 967 OXT GLU A 64 -10.176 20.625 22.381 1.00 1.32 O ATOM 0 H GLU A 64 -7.384 23.264 23.185 1.00 0.93 H new ATOM 0 HA GLU A 64 -8.910 22.253 20.801 1.00 1.04 H new ATOM 0 HB2 GLU A 64 -6.826 20.816 22.550 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -7.769 20.044 21.290 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -6.807 21.682 19.599 1.00 0.91 H new ATOM 0 HG3 GLU A 64 -5.827 22.391 20.867 1.00 0.91 H new TER 974 GLU A 64