USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 573 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 83 LYS NZ :NH3+ -159:sc= -0.595 (180deg=-1.27) USER MOD Set 1.2: A 84 TYR OH : rot -165:sc= 1.58 USER MOD Set 2.1: A 29 SER OG : rot -78:sc= 1.1 USER MOD Set 2.2: A 30 HIS : no HE2:sc= -2.49! C(o=-1.4!,f=-14!) USER MOD Single : A 7 LYS NZ :NH3+ 140:sc= -0.122 (180deg=-2.59!) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -0.144 (180deg=-0.903) USER MOD Single : A 14 HIS : no HE2:sc= 0.924 K(o=0.92,f=-4.6!) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -0.0628 (180deg=-1.11) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -136:sc= 0 (180deg=-0.0762) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -3.38 K(o=-3.4,f=-8.8!) USER MOD Single : A 35 THR OG1 : rot -82:sc= 0.792 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 146:sc= -2.22! (180deg=-5.44!) USER MOD Single : A 59 ASN : amide:sc= -0.0021 X(o=-0.0021,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 0.347 (180deg=0.31) USER MOD Single : A 64 THR OG1 : rot 87:sc= 1.19 USER MOD Single : A 65 SER OG : rot 180:sc= -0.31 USER MOD Single : A 66 LYS NZ :NH3+ -114:sc= 0.686 (180deg=-0.275) USER MOD Single : A 70 MET CE :methyl 167:sc= -0.0443 (180deg=-0.0691) USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= 1.26 (180deg=0.519) USER MOD Single : A 73 TYR OH : rot -140:sc= -1.81! USER MOD Single : A 76 LYS NZ :NH3+ -167:sc=-0.00768 (180deg=-0.213) USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 0.379 (180deg=-1.5!) USER MOD Single : A 82 LYS NZ :NH3+ -110:sc= -2.25! (180deg=-5.04!) USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 4.344 7.615 10.259 1.00 1.41 N ATOM 32 CA ALA A 3 3.507 7.892 11.461 1.00 1.33 C ATOM 33 C ALA A 3 4.368 8.483 12.578 1.00 1.04 C ATOM 34 O ALA A 3 4.043 9.505 13.141 1.00 1.11 O ATOM 35 CB ALA A 3 2.850 6.563 11.882 1.00 1.31 C ATOM 0 HA ALA A 3 2.732 8.626 11.242 1.00 1.33 H new ATOM 0 HB1 ALA A 3 2.228 6.727 12.762 1.00 1.31 H new ATOM 0 HB2 ALA A 3 2.233 6.188 11.066 1.00 1.31 H new ATOM 0 HB3 ALA A 3 3.624 5.833 12.117 1.00 1.31 H new ATOM 41 N GLU A 4 5.463 7.815 12.852 1.00 0.76 N ATOM 42 CA GLU A 4 6.416 8.257 13.924 1.00 0.45 C ATOM 43 C GLU A 4 6.816 9.735 13.760 1.00 0.50 C ATOM 44 O GLU A 4 7.063 10.455 14.708 1.00 0.55 O ATOM 45 CB GLU A 4 7.680 7.391 13.869 1.00 0.18 C ATOM 46 CG GLU A 4 7.360 5.867 13.540 1.00 0.37 C ATOM 47 CD GLU A 4 7.439 5.517 12.042 1.00 2.12 C ATOM 48 OE1 GLU A 4 7.283 6.409 11.231 1.00 4.18 O ATOM 49 OE2 GLU A 4 7.653 4.359 11.729 1.00 1.53 O ATOM 0 H GLU A 4 5.744 6.963 12.367 1.00 0.76 H new ATOM 0 HA GLU A 4 5.912 8.144 14.884 1.00 0.45 H new ATOM 0 HB2 GLU A 4 8.356 7.789 13.112 1.00 0.18 H new ATOM 0 HB3 GLU A 4 8.200 7.452 14.825 1.00 0.18 H new ATOM 0 HG2 GLU A 4 8.058 5.234 14.087 1.00 0.37 H new ATOM 0 HG3 GLU A 4 6.361 5.630 13.905 1.00 0.37 H new ATOM 56 N PHE A 5 6.868 10.123 12.526 1.00 0.52 N ATOM 57 CA PHE A 5 7.235 11.520 12.151 1.00 0.56 C ATOM 58 C PHE A 5 6.023 12.431 12.246 1.00 0.65 C ATOM 59 O PHE A 5 6.150 13.454 12.883 1.00 0.62 O ATOM 60 CB PHE A 5 7.790 11.473 10.753 1.00 0.70 C ATOM 61 CG PHE A 5 7.776 12.865 10.124 1.00 0.52 C ATOM 62 CD1 PHE A 5 8.807 13.749 10.332 1.00 0.61 C ATOM 63 CD2 PHE A 5 6.708 13.239 9.339 1.00 0.55 C ATOM 64 CE1 PHE A 5 8.783 14.996 9.759 1.00 0.58 C ATOM 65 CE2 PHE A 5 6.675 14.483 8.769 1.00 0.47 C ATOM 66 CZ PHE A 5 7.708 15.362 8.975 1.00 0.38 C ATOM 0 H PHE A 5 6.666 9.516 11.732 1.00 0.52 H new ATOM 0 HA PHE A 5 7.982 11.927 12.832 1.00 0.56 H new ATOM 0 HB2 PHE A 5 8.809 11.087 10.773 1.00 0.70 H new ATOM 0 HB3 PHE A 5 7.201 10.787 10.145 1.00 0.70 H new ATOM 0 HD1 PHE A 5 9.643 13.460 10.951 1.00 0.61 H new ATOM 0 HD2 PHE A 5 5.894 12.549 9.173 1.00 0.55 H new ATOM 0 HE1 PHE A 5 9.599 15.685 9.920 1.00 0.58 H new ATOM 0 HE2 PHE A 5 5.834 14.773 8.156 1.00 0.47 H new ATOM 0 HZ PHE A 5 7.680 16.342 8.523 1.00 0.38 H new ATOM 76 N ASP A 6 4.913 12.086 11.636 1.00 0.76 N ATOM 77 CA ASP A 6 3.714 12.960 11.733 1.00 0.88 C ATOM 78 C ASP A 6 3.566 13.196 13.236 1.00 0.90 C ATOM 79 O ASP A 6 3.463 14.292 13.729 1.00 0.99 O ATOM 80 CB ASP A 6 2.561 12.199 11.171 1.00 0.85 C ATOM 81 CG ASP A 6 2.831 11.610 9.806 1.00 0.73 C ATOM 82 OD1 ASP A 6 3.471 12.240 8.980 1.00 1.57 O ATOM 83 OD2 ASP A 6 2.345 10.511 9.665 1.00 2.12 O ATOM 0 H ASP A 6 4.792 11.240 11.079 1.00 0.76 H new ATOM 0 HA ASP A 6 3.778 13.904 11.192 1.00 0.88 H new ATOM 0 HB2 ASP A 6 2.298 11.395 11.858 1.00 0.85 H new ATOM 0 HB3 ASP A 6 1.697 12.860 11.107 1.00 0.85 H new ATOM 88 N LYS A 7 3.578 12.080 13.916 1.00 0.82 N ATOM 89 CA LYS A 7 3.468 12.043 15.395 1.00 0.77 C ATOM 90 C LYS A 7 4.513 13.018 15.918 1.00 0.65 C ATOM 91 O LYS A 7 4.143 13.949 16.601 1.00 0.73 O ATOM 92 CB LYS A 7 3.770 10.623 15.890 1.00 0.80 C ATOM 93 CG LYS A 7 3.852 10.555 17.449 1.00 0.91 C ATOM 94 CD LYS A 7 4.487 9.172 17.806 1.00 1.31 C ATOM 95 CE LYS A 7 4.589 8.899 19.333 1.00 2.41 C ATOM 96 NZ LYS A 7 5.569 9.840 19.959 1.00 4.24 N ATOM 0 H LYS A 7 3.663 11.160 13.484 1.00 0.82 H new ATOM 0 HA LYS A 7 2.470 12.314 15.739 1.00 0.77 H new ATOM 0 HB2 LYS A 7 2.995 9.943 15.537 1.00 0.80 H new ATOM 0 HB3 LYS A 7 4.712 10.282 15.462 1.00 0.80 H new ATOM 0 HG2 LYS A 7 4.458 11.372 17.841 1.00 0.91 H new ATOM 0 HG3 LYS A 7 2.861 10.652 17.893 1.00 0.91 H new ATOM 0 HD2 LYS A 7 3.895 8.382 17.345 1.00 1.31 H new ATOM 0 HD3 LYS A 7 5.485 9.118 17.370 1.00 1.31 H new ATOM 0 HE2 LYS A 7 3.610 9.019 19.798 1.00 2.41 H new ATOM 0 HE3 LYS A 7 4.900 7.869 19.506 1.00 2.41 H new ATOM 0 HZ1 LYS A 7 5.205 10.158 20.880 1.00 4.24 H new ATOM 0 HZ2 LYS A 7 6.478 9.354 20.095 1.00 4.24 H new ATOM 0 HZ3 LYS A 7 5.706 10.663 19.338 1.00 4.24 H new ATOM 110 N ALA A 8 5.783 12.833 15.604 1.00 0.49 N ATOM 111 CA ALA A 8 6.750 13.833 16.162 1.00 0.38 C ATOM 112 C ALA A 8 6.290 15.297 15.884 1.00 0.44 C ATOM 113 O ALA A 8 6.302 16.176 16.719 1.00 0.51 O ATOM 114 CB ALA A 8 8.099 13.478 15.522 1.00 0.28 C ATOM 0 H ALA A 8 6.168 12.086 15.026 1.00 0.49 H new ATOM 0 HA ALA A 8 6.819 13.788 17.249 1.00 0.38 H new ATOM 0 HB1 ALA A 8 8.864 14.167 15.880 1.00 0.28 H new ATOM 0 HB2 ALA A 8 8.373 12.458 15.793 1.00 0.28 H new ATOM 0 HB3 ALA A 8 8.019 13.557 14.438 1.00 0.28 H new ATOM 120 N ALA A 9 5.872 15.503 14.683 1.00 0.43 N ATOM 121 CA ALA A 9 5.399 16.864 14.263 1.00 0.45 C ATOM 122 C ALA A 9 4.151 17.368 15.026 1.00 0.41 C ATOM 123 O ALA A 9 4.099 18.512 15.455 1.00 0.43 O ATOM 124 CB ALA A 9 5.146 16.803 12.752 1.00 0.67 C ATOM 0 H ALA A 9 5.831 14.790 13.955 1.00 0.43 H new ATOM 0 HA ALA A 9 6.170 17.593 14.513 1.00 0.45 H new ATOM 0 HB1 ALA A 9 4.799 17.775 12.402 1.00 0.67 H new ATOM 0 HB2 ALA A 9 6.071 16.541 12.238 1.00 0.67 H new ATOM 0 HB3 ALA A 9 4.388 16.049 12.540 1.00 0.67 H new ATOM 130 N GLU A 10 3.196 16.504 15.225 1.00 0.41 N ATOM 131 CA GLU A 10 1.951 16.920 15.943 1.00 0.42 C ATOM 132 C GLU A 10 2.318 17.078 17.414 1.00 0.37 C ATOM 133 O GLU A 10 1.873 18.011 18.055 1.00 0.34 O ATOM 134 CB GLU A 10 0.854 15.832 15.762 1.00 0.48 C ATOM 135 CG GLU A 10 -0.354 16.102 16.754 1.00 0.48 C ATOM 136 CD GLU A 10 -1.172 17.382 16.467 1.00 2.43 C ATOM 137 OE1 GLU A 10 -0.600 18.366 16.019 1.00 3.49 O ATOM 138 OE2 GLU A 10 -2.357 17.296 16.729 1.00 3.51 O ATOM 0 H GLU A 10 3.220 15.530 14.924 1.00 0.41 H new ATOM 0 HA GLU A 10 1.557 17.856 15.548 1.00 0.42 H new ATOM 0 HB2 GLU A 10 0.496 15.834 14.732 1.00 0.48 H new ATOM 0 HB3 GLU A 10 1.276 14.845 15.951 1.00 0.48 H new ATOM 0 HG2 GLU A 10 -1.027 15.246 16.722 1.00 0.48 H new ATOM 0 HG3 GLU A 10 0.038 16.161 17.769 1.00 0.48 H new ATOM 145 N GLU A 11 3.124 16.182 17.917 1.00 0.37 N ATOM 146 CA GLU A 11 3.515 16.285 19.330 1.00 0.32 C ATOM 147 C GLU A 11 4.335 17.588 19.484 1.00 0.24 C ATOM 148 O GLU A 11 4.064 18.341 20.395 1.00 0.14 O ATOM 149 CB GLU A 11 4.321 15.003 19.665 1.00 0.32 C ATOM 150 CG GLU A 11 3.404 13.712 19.777 1.00 0.50 C ATOM 151 CD GLU A 11 4.190 12.455 20.226 1.00 0.64 C ATOM 152 OE1 GLU A 11 5.317 12.320 19.778 1.00 2.46 O ATOM 153 OE2 GLU A 11 3.688 11.634 20.983 1.00 1.84 O ATOM 0 H GLU A 11 3.520 15.393 17.406 1.00 0.37 H new ATOM 0 HA GLU A 11 2.675 16.343 20.022 1.00 0.32 H new ATOM 0 HB2 GLU A 11 5.075 14.842 18.895 1.00 0.32 H new ATOM 0 HB3 GLU A 11 4.852 15.149 20.606 1.00 0.32 H new ATOM 0 HG2 GLU A 11 2.599 13.904 20.486 1.00 0.50 H new ATOM 0 HG3 GLU A 11 2.938 13.518 18.811 1.00 0.50 H new ATOM 160 N VAL A 12 5.305 17.867 18.638 1.00 0.34 N ATOM 161 CA VAL A 12 6.098 19.141 18.790 1.00 0.25 C ATOM 162 C VAL A 12 5.086 20.277 18.853 1.00 0.24 C ATOM 163 O VAL A 12 5.171 21.111 19.734 1.00 0.32 O ATOM 164 CB VAL A 12 7.091 19.278 17.583 1.00 0.33 C ATOM 165 CG1 VAL A 12 6.672 20.284 16.479 1.00 0.42 C ATOM 166 CG2 VAL A 12 8.447 19.741 18.126 1.00 0.21 C ATOM 0 H VAL A 12 5.582 17.275 17.855 1.00 0.34 H new ATOM 0 HA VAL A 12 6.706 19.153 19.694 1.00 0.25 H new ATOM 0 HB VAL A 12 7.112 18.294 17.114 1.00 0.33 H new ATOM 0 HG11 VAL A 12 7.429 20.299 15.695 1.00 0.42 H new ATOM 0 HG12 VAL A 12 5.715 19.981 16.054 1.00 0.42 H new ATOM 0 HG13 VAL A 12 6.577 21.280 16.911 1.00 0.42 H new ATOM 0 HG21 VAL A 12 9.153 19.843 17.302 1.00 0.21 H new ATOM 0 HG22 VAL A 12 8.330 20.703 18.625 1.00 0.21 H new ATOM 0 HG23 VAL A 12 8.824 19.007 18.838 1.00 0.21 H new ATOM 176 N LYS A 13 4.149 20.286 17.935 1.00 0.21 N ATOM 177 CA LYS A 13 3.088 21.369 17.937 1.00 0.49 C ATOM 178 C LYS A 13 2.366 21.514 19.317 1.00 0.34 C ATOM 179 O LYS A 13 1.609 22.442 19.529 1.00 0.27 O ATOM 180 CB LYS A 13 2.028 21.027 16.885 1.00 0.82 C ATOM 181 CG LYS A 13 2.605 21.059 15.481 1.00 1.85 C ATOM 182 CD LYS A 13 2.456 22.499 14.919 1.00 3.05 C ATOM 183 CE LYS A 13 3.106 22.614 13.549 1.00 4.92 C ATOM 184 NZ LYS A 13 2.542 21.524 12.692 1.00 6.48 N ATOM 0 H LYS A 13 4.065 19.600 17.185 1.00 0.21 H new ATOM 0 HA LYS A 13 3.593 22.310 17.721 1.00 0.49 H new ATOM 0 HB2 LYS A 13 1.618 20.038 17.088 1.00 0.82 H new ATOM 0 HB3 LYS A 13 1.202 21.735 16.956 1.00 0.82 H new ATOM 0 HG2 LYS A 13 3.655 20.765 15.496 1.00 1.85 H new ATOM 0 HG3 LYS A 13 2.084 20.347 14.841 1.00 1.85 H new ATOM 0 HD2 LYS A 13 1.400 22.759 14.848 1.00 3.05 H new ATOM 0 HD3 LYS A 13 2.915 23.211 15.605 1.00 3.05 H new ATOM 0 HE2 LYS A 13 2.904 23.591 13.109 1.00 4.92 H new ATOM 0 HE3 LYS A 13 4.189 22.518 13.629 1.00 4.92 H new ATOM 0 HZ1 LYS A 13 2.501 21.845 11.704 1.00 6.48 H new ATOM 0 HZ2 LYS A 13 3.149 20.682 12.758 1.00 6.48 H new ATOM 0 HZ3 LYS A 13 1.584 21.286 13.019 1.00 6.48 H new ATOM 198 N HIS A 14 2.649 20.610 20.213 1.00 0.27 N ATOM 199 CA HIS A 14 2.028 20.607 21.564 1.00 0.19 C ATOM 200 C HIS A 14 3.038 20.465 22.722 1.00 0.16 C ATOM 201 O HIS A 14 2.627 20.100 23.803 1.00 0.14 O ATOM 202 CB HIS A 14 0.992 19.449 21.595 1.00 0.27 C ATOM 203 CG HIS A 14 -0.124 19.729 20.596 1.00 0.11 C ATOM 204 ND1 HIS A 14 -0.115 19.395 19.350 1.00 0.29 N ATOM 205 CD2 HIS A 14 -1.333 20.373 20.774 1.00 0.09 C ATOM 206 CE1 HIS A 14 -1.220 19.794 18.793 1.00 0.41 C ATOM 207 NE2 HIS A 14 -2.004 20.408 19.644 1.00 0.25 N ATOM 0 H HIS A 14 3.308 19.848 20.057 1.00 0.27 H new ATOM 0 HA HIS A 14 1.557 21.577 21.725 1.00 0.19 H new ATOM 0 HB2 HIS A 14 1.481 18.505 21.353 1.00 0.27 H new ATOM 0 HB3 HIS A 14 0.578 19.346 22.598 1.00 0.27 H new ATOM 0 HD1 HIS A 14 0.639 18.897 18.877 1.00 0.29 H new ATOM 0 HD2 HIS A 14 -1.678 20.789 21.709 1.00 0.09 H new ATOM 0 HE1 HIS A 14 -1.463 19.638 17.752 1.00 0.41 H new ATOM 215 N LEU A 15 4.307 20.738 22.534 1.00 0.40 N ATOM 216 CA LEU A 15 5.238 20.581 23.720 1.00 0.65 C ATOM 217 C LEU A 15 4.814 21.465 24.918 1.00 0.68 C ATOM 218 O LEU A 15 4.206 22.502 24.727 1.00 0.75 O ATOM 219 CB LEU A 15 6.650 20.993 23.324 1.00 1.20 C ATOM 220 CG LEU A 15 7.329 19.987 22.412 1.00 1.48 C ATOM 221 CD1 LEU A 15 8.586 20.666 21.864 1.00 2.13 C ATOM 222 CD2 LEU A 15 7.761 18.750 23.233 1.00 1.95 C ATOM 0 H LEU A 15 4.733 21.048 21.661 1.00 0.40 H new ATOM 0 HA LEU A 15 5.195 19.533 24.018 1.00 0.65 H new ATOM 0 HB2 LEU A 15 6.613 21.961 22.824 1.00 1.20 H new ATOM 0 HB3 LEU A 15 7.251 21.122 24.224 1.00 1.20 H new ATOM 0 HG LEU A 15 6.656 19.671 21.615 1.00 1.48 H new ATOM 0 HD11 LEU A 15 9.111 19.979 21.200 1.00 2.13 H new ATOM 0 HD12 LEU A 15 8.304 21.561 21.310 1.00 2.13 H new ATOM 0 HD13 LEU A 15 9.240 20.942 22.691 1.00 2.13 H new ATOM 0 HD21 LEU A 15 8.248 18.029 22.576 1.00 1.95 H new ATOM 0 HD22 LEU A 15 8.456 19.057 24.014 1.00 1.95 H new ATOM 0 HD23 LEU A 15 6.883 18.291 23.688 1.00 1.95 H new ATOM 234 N LYS A 16 5.153 21.064 26.127 1.00 0.78 N ATOM 235 CA LYS A 16 4.775 21.890 27.328 1.00 1.02 C ATOM 236 C LYS A 16 5.533 23.236 27.263 1.00 0.68 C ATOM 237 O LYS A 16 5.264 24.171 27.989 1.00 0.59 O ATOM 238 CB LYS A 16 5.138 21.075 28.637 1.00 1.41 C ATOM 239 CG LYS A 16 4.903 21.964 29.911 1.00 1.61 C ATOM 240 CD LYS A 16 5.056 21.185 31.274 1.00 0.70 C ATOM 241 CE LYS A 16 3.754 20.485 31.731 1.00 2.30 C ATOM 242 NZ LYS A 16 3.554 19.229 30.960 1.00 4.66 N ATOM 0 H LYS A 16 5.670 20.209 26.333 1.00 0.78 H new ATOM 0 HA LYS A 16 3.706 22.102 27.343 1.00 1.02 H new ATOM 0 HB2 LYS A 16 4.527 20.174 28.695 1.00 1.41 H new ATOM 0 HB3 LYS A 16 6.178 20.752 28.597 1.00 1.41 H new ATOM 0 HG2 LYS A 16 5.609 22.794 29.898 1.00 1.61 H new ATOM 0 HG3 LYS A 16 3.903 22.395 29.861 1.00 1.61 H new ATOM 0 HD2 LYS A 16 5.844 20.439 31.171 1.00 0.70 H new ATOM 0 HD3 LYS A 16 5.376 21.882 32.048 1.00 0.70 H new ATOM 0 HE2 LYS A 16 3.806 20.263 32.797 1.00 2.30 H new ATOM 0 HE3 LYS A 16 2.903 21.150 31.585 1.00 2.30 H new ATOM 0 HZ1 LYS A 16 3.012 18.552 31.534 1.00 4.66 H new ATOM 0 HZ2 LYS A 16 3.032 19.438 30.085 1.00 4.66 H new ATOM 0 HZ3 LYS A 16 4.479 18.817 30.721 1.00 4.66 H new ATOM 256 N THR A 17 6.498 23.314 26.393 1.00 0.71 N ATOM 257 CA THR A 17 7.297 24.572 26.233 1.00 0.55 C ATOM 258 C THR A 17 7.623 24.843 24.760 1.00 0.64 C ATOM 259 O THR A 17 7.413 24.016 23.895 1.00 0.77 O ATOM 260 CB THR A 17 8.577 24.420 27.066 1.00 0.78 C ATOM 261 OG1 THR A 17 8.130 24.187 28.394 1.00 1.20 O ATOM 262 CG2 THR A 17 9.362 25.699 27.272 1.00 1.06 C ATOM 0 H THR A 17 6.776 22.552 25.774 1.00 0.71 H new ATOM 0 HA THR A 17 6.720 25.428 26.583 1.00 0.55 H new ATOM 0 HB THR A 17 9.184 23.670 26.558 1.00 0.78 H new ATOM 0 HG1 THR A 17 8.904 24.078 28.985 1.00 1.20 H new ATOM 0 HG21 THR A 17 10.248 25.490 27.872 1.00 1.06 H new ATOM 0 HG22 THR A 17 9.665 26.100 26.305 1.00 1.06 H new ATOM 0 HG23 THR A 17 8.739 26.429 27.788 1.00 1.06 H new ATOM 270 N LYS A 18 8.146 26.015 24.543 1.00 0.78 N ATOM 271 CA LYS A 18 8.541 26.478 23.171 1.00 1.18 C ATOM 272 C LYS A 18 10.042 26.221 23.073 1.00 1.30 C ATOM 273 O LYS A 18 10.765 26.807 23.859 1.00 1.33 O ATOM 274 CB LYS A 18 8.332 28.012 22.955 1.00 1.43 C ATOM 275 CG LYS A 18 6.979 28.345 22.313 1.00 1.75 C ATOM 276 CD LYS A 18 5.911 28.588 23.394 1.00 0.83 C ATOM 277 CE LYS A 18 4.602 28.899 22.676 1.00 2.09 C ATOM 278 NZ LYS A 18 3.662 29.553 23.642 1.00 2.98 N ATOM 0 H LYS A 18 8.324 26.698 25.279 1.00 0.78 H new ATOM 0 HA LYS A 18 7.933 25.955 22.433 1.00 1.18 H new ATOM 0 HB2 LYS A 18 8.409 28.523 23.915 1.00 1.43 H new ATOM 0 HB3 LYS A 18 9.133 28.397 22.324 1.00 1.43 H new ATOM 0 HG2 LYS A 18 7.077 29.231 21.685 1.00 1.75 H new ATOM 0 HG3 LYS A 18 6.667 27.527 21.664 1.00 1.75 H new ATOM 0 HD2 LYS A 18 5.801 27.710 24.030 1.00 0.83 H new ATOM 0 HD3 LYS A 18 6.201 29.416 24.041 1.00 0.83 H new ATOM 0 HE2 LYS A 18 4.785 29.556 21.825 1.00 2.09 H new ATOM 0 HE3 LYS A 18 4.161 27.983 22.282 1.00 2.09 H new ATOM 0 HZ1 LYS A 18 2.765 29.769 23.161 1.00 2.98 H new ATOM 0 HZ2 LYS A 18 3.481 28.910 24.439 1.00 2.98 H new ATOM 0 HZ3 LYS A 18 4.086 30.434 23.997 1.00 2.98 H new ATOM 292 N PRO A 19 10.502 25.390 22.168 1.00 1.44 N ATOM 293 CA PRO A 19 11.958 25.131 22.061 1.00 1.64 C ATOM 294 C PRO A 19 12.633 26.355 21.391 1.00 1.29 C ATOM 295 O PRO A 19 11.988 27.216 20.818 1.00 1.14 O ATOM 296 CB PRO A 19 11.988 23.828 21.271 1.00 1.98 C ATOM 297 CG PRO A 19 10.840 24.057 20.261 1.00 1.87 C ATOM 298 CD PRO A 19 9.717 24.613 21.165 1.00 1.51 C ATOM 0 HA PRO A 19 12.515 25.015 22.990 1.00 1.64 H new ATOM 0 HB2 PRO A 19 12.946 23.670 20.775 1.00 1.98 H new ATOM 0 HB3 PRO A 19 11.810 22.959 21.905 1.00 1.98 H new ATOM 0 HG2 PRO A 19 11.120 24.763 19.479 1.00 1.87 H new ATOM 0 HG3 PRO A 19 10.544 23.133 19.765 1.00 1.87 H new ATOM 0 HD2 PRO A 19 9.019 25.243 20.613 1.00 1.51 H new ATOM 0 HD3 PRO A 19 9.132 23.819 21.628 1.00 1.51 H new ATOM 306 N ALA A 20 13.928 26.406 21.460 1.00 1.22 N ATOM 307 CA ALA A 20 14.679 27.543 20.862 1.00 1.01 C ATOM 308 C ALA A 20 14.532 27.612 19.325 1.00 0.63 C ATOM 309 O ALA A 20 14.234 26.637 18.650 1.00 0.52 O ATOM 310 CB ALA A 20 16.133 27.356 21.304 1.00 1.14 C ATOM 0 H ALA A 20 14.509 25.699 21.911 1.00 1.22 H new ATOM 0 HA ALA A 20 14.282 28.498 21.207 1.00 1.01 H new ATOM 0 HB1 ALA A 20 16.744 28.162 20.897 1.00 1.14 H new ATOM 0 HB2 ALA A 20 16.188 27.374 22.392 1.00 1.14 H new ATOM 0 HB3 ALA A 20 16.504 26.399 20.938 1.00 1.14 H new ATOM 316 N ASP A 21 14.748 28.786 18.794 1.00 0.51 N ATOM 317 CA ASP A 21 14.624 28.935 17.321 1.00 0.16 C ATOM 318 C ASP A 21 15.386 27.779 16.614 1.00 0.27 C ATOM 319 O ASP A 21 14.864 27.197 15.687 1.00 0.41 O ATOM 320 CB ASP A 21 15.166 30.322 16.965 1.00 0.68 C ATOM 321 CG ASP A 21 14.705 30.594 15.552 1.00 1.37 C ATOM 322 OD1 ASP A 21 13.632 31.126 15.332 1.00 3.18 O ATOM 323 OD2 ASP A 21 15.459 30.222 14.682 1.00 0.50 O ATOM 0 H ASP A 21 15.000 29.631 19.307 1.00 0.51 H new ATOM 0 HA ASP A 21 13.590 28.866 16.982 1.00 0.16 H new ATOM 0 HB2 ASP A 21 14.787 31.078 17.652 1.00 0.68 H new ATOM 0 HB3 ASP A 21 16.254 30.346 17.033 1.00 0.68 H new ATOM 328 N GLU A 22 16.585 27.458 17.028 1.00 0.29 N ATOM 329 CA GLU A 22 17.362 26.336 16.399 1.00 0.41 C ATOM 330 C GLU A 22 16.543 25.016 16.391 1.00 0.47 C ATOM 331 O GLU A 22 16.495 24.297 15.402 1.00 0.36 O ATOM 332 CB GLU A 22 18.691 26.111 17.196 1.00 0.51 C ATOM 333 CG GLU A 22 19.578 27.415 17.298 1.00 0.55 C ATOM 334 CD GLU A 22 19.225 28.389 18.446 1.00 2.63 C ATOM 335 OE1 GLU A 22 18.242 28.159 19.131 1.00 4.61 O ATOM 336 OE2 GLU A 22 19.997 29.328 18.557 1.00 3.15 O ATOM 0 H GLU A 22 17.071 27.932 17.789 1.00 0.29 H new ATOM 0 HA GLU A 22 17.581 26.612 15.367 1.00 0.41 H new ATOM 0 HB2 GLU A 22 18.451 25.762 18.200 1.00 0.51 H new ATOM 0 HB3 GLU A 22 19.268 25.322 16.714 1.00 0.51 H new ATOM 0 HG2 GLU A 22 20.619 27.114 17.412 1.00 0.55 H new ATOM 0 HG3 GLU A 22 19.504 27.955 16.354 1.00 0.55 H new ATOM 343 N GLU A 23 15.896 24.731 17.491 1.00 0.66 N ATOM 344 CA GLU A 23 15.084 23.485 17.581 1.00 0.73 C ATOM 345 C GLU A 23 13.930 23.701 16.534 1.00 0.67 C ATOM 346 O GLU A 23 13.666 22.827 15.718 1.00 0.71 O ATOM 347 CB GLU A 23 14.650 23.382 19.114 1.00 0.75 C ATOM 348 CG GLU A 23 15.928 23.088 20.071 1.00 0.85 C ATOM 349 CD GLU A 23 15.680 23.036 21.624 1.00 1.18 C ATOM 350 OE1 GLU A 23 15.142 24.002 22.131 1.00 1.29 O ATOM 351 OE2 GLU A 23 16.027 22.061 22.287 1.00 1.72 O ATOM 0 H GLU A 23 15.896 25.309 18.331 1.00 0.66 H new ATOM 0 HA GLU A 23 15.564 22.537 17.337 1.00 0.73 H new ATOM 0 HB2 GLU A 23 14.169 24.311 19.421 1.00 0.75 H new ATOM 0 HB3 GLU A 23 13.914 22.587 19.233 1.00 0.75 H new ATOM 0 HG2 GLU A 23 16.362 22.135 19.768 1.00 0.85 H new ATOM 0 HG3 GLU A 23 16.677 23.856 19.876 1.00 0.85 H new ATOM 358 N MET A 24 13.303 24.854 16.582 1.00 0.60 N ATOM 359 CA MET A 24 12.189 25.158 15.612 1.00 0.62 C ATOM 360 C MET A 24 12.705 24.906 14.171 1.00 0.63 C ATOM 361 O MET A 24 12.045 24.276 13.372 1.00 0.63 O ATOM 362 CB MET A 24 11.757 26.634 15.778 1.00 0.58 C ATOM 363 CG MET A 24 10.928 26.869 17.052 1.00 0.28 C ATOM 364 SD MET A 24 9.190 27.275 16.749 1.00 1.64 S ATOM 365 CE MET A 24 9.442 28.936 16.068 1.00 1.20 C ATOM 0 H MET A 24 13.510 25.599 17.247 1.00 0.60 H new ATOM 0 HA MET A 24 11.329 24.517 15.806 1.00 0.62 H new ATOM 0 HB2 MET A 24 12.644 27.267 15.804 1.00 0.58 H new ATOM 0 HB3 MET A 24 11.174 26.938 14.909 1.00 0.58 H new ATOM 0 HG2 MET A 24 10.977 25.974 17.673 1.00 0.28 H new ATOM 0 HG3 MET A 24 11.383 27.678 17.623 1.00 0.28 H new ATOM 0 HE1 MET A 24 8.713 29.621 16.500 1.00 1.20 H new ATOM 0 HE2 MET A 24 10.449 29.279 16.308 1.00 1.20 H new ATOM 0 HE3 MET A 24 9.316 28.908 14.986 1.00 1.20 H new ATOM 375 N LEU A 25 13.878 25.423 13.898 1.00 0.62 N ATOM 376 CA LEU A 25 14.611 25.331 12.609 1.00 0.67 C ATOM 377 C LEU A 25 14.836 23.892 12.171 1.00 0.50 C ATOM 378 O LEU A 25 14.429 23.523 11.084 1.00 0.35 O ATOM 379 CB LEU A 25 15.947 26.087 12.823 1.00 0.88 C ATOM 380 CG LEU A 25 15.757 27.554 12.466 1.00 1.05 C ATOM 381 CD1 LEU A 25 16.918 28.379 12.997 1.00 1.09 C ATOM 382 CD2 LEU A 25 15.851 27.638 10.956 1.00 1.46 C ATOM 0 H LEU A 25 14.398 25.956 14.595 1.00 0.62 H new ATOM 0 HA LEU A 25 14.030 25.777 11.802 1.00 0.67 H new ATOM 0 HB2 LEU A 25 16.270 25.992 13.860 1.00 0.88 H new ATOM 0 HB3 LEU A 25 16.730 25.648 12.204 1.00 0.88 H new ATOM 0 HG LEU A 25 14.814 27.917 12.875 1.00 1.05 H new ATOM 0 HD11 LEU A 25 16.770 29.427 12.735 1.00 1.09 H new ATOM 0 HD12 LEU A 25 16.969 28.280 14.081 1.00 1.09 H new ATOM 0 HD13 LEU A 25 17.849 28.023 12.556 1.00 1.09 H new ATOM 0 HD21 LEU A 25 15.721 28.673 10.640 1.00 1.46 H new ATOM 0 HD22 LEU A 25 16.828 27.279 10.632 1.00 1.46 H new ATOM 0 HD23 LEU A 25 15.071 27.022 10.508 1.00 1.46 H new ATOM 394 N PHE A 26 15.465 23.127 13.032 1.00 0.57 N ATOM 395 CA PHE A 26 15.754 21.689 12.732 1.00 0.49 C ATOM 396 C PHE A 26 14.407 21.115 12.293 1.00 0.38 C ATOM 397 O PHE A 26 14.292 20.559 11.217 1.00 0.27 O ATOM 398 CB PHE A 26 16.276 21.040 14.020 1.00 0.43 C ATOM 399 CG PHE A 26 16.744 19.589 13.797 1.00 0.49 C ATOM 400 CD1 PHE A 26 15.891 18.612 13.310 1.00 0.29 C ATOM 401 CD2 PHE A 26 18.046 19.237 14.103 1.00 0.97 C ATOM 402 CE1 PHE A 26 16.329 17.317 13.139 1.00 0.36 C ATOM 403 CE2 PHE A 26 18.485 17.940 13.929 1.00 1.18 C ATOM 404 CZ PHE A 26 17.627 16.980 13.449 1.00 0.85 C ATOM 0 H PHE A 26 15.795 23.444 13.944 1.00 0.57 H new ATOM 0 HA PHE A 26 16.506 21.523 11.961 1.00 0.49 H new ATOM 0 HB2 PHE A 26 17.105 21.630 14.411 1.00 0.43 H new ATOM 0 HB3 PHE A 26 15.490 21.054 14.775 1.00 0.43 H new ATOM 0 HD1 PHE A 26 14.872 18.868 13.062 1.00 0.29 H new ATOM 0 HD2 PHE A 26 18.727 19.985 14.482 1.00 0.97 H new ATOM 0 HE1 PHE A 26 15.653 16.565 12.761 1.00 0.36 H new ATOM 0 HE2 PHE A 26 19.505 17.679 14.171 1.00 1.18 H new ATOM 0 HZ PHE A 26 17.970 15.965 13.315 1.00 0.85 H new ATOM 414 N ILE A 27 13.428 21.286 13.153 1.00 0.44 N ATOM 415 CA ILE A 27 12.061 20.771 12.815 1.00 0.39 C ATOM 416 C ILE A 27 11.663 21.388 11.469 1.00 0.34 C ATOM 417 O ILE A 27 11.788 20.710 10.484 1.00 0.23 O ATOM 418 CB ILE A 27 11.118 21.188 13.961 1.00 0.43 C ATOM 419 CG1 ILE A 27 11.183 20.136 15.115 1.00 0.48 C ATOM 420 CG2 ILE A 27 9.614 21.270 13.541 1.00 0.44 C ATOM 421 CD1 ILE A 27 12.577 19.988 15.774 1.00 0.49 C ATOM 0 H ILE A 27 13.513 21.751 14.057 1.00 0.44 H new ATOM 0 HA ILE A 27 12.018 19.686 12.718 1.00 0.39 H new ATOM 0 HB ILE A 27 11.460 22.177 14.265 1.00 0.43 H new ATOM 0 HG12 ILE A 27 10.460 20.413 15.883 1.00 0.48 H new ATOM 0 HG13 ILE A 27 10.876 19.166 14.723 1.00 0.48 H new ATOM 0 HG21 ILE A 27 9.012 21.569 14.399 1.00 0.44 H new ATOM 0 HG22 ILE A 27 9.498 22.004 12.743 1.00 0.44 H new ATOM 0 HG23 ILE A 27 9.281 20.294 13.187 1.00 0.44 H new ATOM 0 HD11 ILE A 27 12.529 19.238 16.563 1.00 0.49 H new ATOM 0 HD12 ILE A 27 13.304 19.678 15.023 1.00 0.49 H new ATOM 0 HD13 ILE A 27 12.881 20.944 16.200 1.00 0.49 H new ATOM 433 N TYR A 28 11.198 22.607 11.443 1.00 0.43 N ATOM 434 CA TYR A 28 10.797 23.275 10.157 1.00 0.40 C ATOM 435 C TYR A 28 11.468 22.670 8.908 1.00 0.23 C ATOM 436 O TYR A 28 10.841 22.109 8.032 1.00 0.23 O ATOM 437 CB TYR A 28 11.155 24.778 10.170 1.00 0.53 C ATOM 438 CG TYR A 28 10.563 25.381 8.878 1.00 0.62 C ATOM 439 CD1 TYR A 28 9.264 25.853 8.859 1.00 2.03 C ATOM 440 CD2 TYR A 28 11.302 25.435 7.706 1.00 2.84 C ATOM 441 CE1 TYR A 28 8.721 26.363 7.692 1.00 1.99 C ATOM 442 CE2 TYR A 28 10.747 25.946 6.548 1.00 2.90 C ATOM 443 CZ TYR A 28 9.454 26.413 6.534 1.00 0.79 C ATOM 444 OH TYR A 28 8.881 26.919 5.388 1.00 0.87 O ATOM 0 H TYR A 28 11.074 23.186 12.274 1.00 0.43 H new ATOM 0 HA TYR A 28 9.720 23.118 10.095 1.00 0.40 H new ATOM 0 HB2 TYR A 28 10.741 25.268 11.052 1.00 0.53 H new ATOM 0 HB3 TYR A 28 12.235 24.919 10.204 1.00 0.53 H new ATOM 0 HD1 TYR A 28 8.669 25.824 9.760 1.00 2.03 H new ATOM 0 HD2 TYR A 28 12.320 25.075 7.698 1.00 2.84 H new ATOM 0 HE1 TYR A 28 7.704 26.727 7.694 1.00 1.99 H new ATOM 0 HE2 TYR A 28 11.336 25.979 5.643 1.00 2.90 H new ATOM 0 HH TYR A 28 9.531 26.886 4.655 1.00 0.87 H new ATOM 454 N SER A 29 12.762 22.771 8.873 1.00 0.18 N ATOM 455 CA SER A 29 13.562 22.248 7.719 1.00 0.10 C ATOM 456 C SER A 29 13.338 20.752 7.456 1.00 0.08 C ATOM 457 O SER A 29 13.049 20.335 6.349 1.00 0.15 O ATOM 458 CB SER A 29 15.026 22.586 8.058 1.00 0.20 C ATOM 459 OG SER A 29 15.272 21.768 9.195 1.00 0.27 O ATOM 0 H SER A 29 13.319 23.203 9.610 1.00 0.18 H new ATOM 0 HA SER A 29 13.252 22.712 6.783 1.00 0.10 H new ATOM 0 HB2 SER A 29 15.699 22.349 7.234 1.00 0.20 H new ATOM 0 HB3 SER A 29 15.157 23.644 8.283 1.00 0.20 H new ATOM 0 HG SER A 29 14.875 22.183 9.989 1.00 0.27 H new ATOM 465 N HIS A 30 13.466 19.982 8.498 1.00 0.06 N ATOM 466 CA HIS A 30 13.275 18.514 8.383 1.00 0.08 C ATOM 467 C HIS A 30 11.778 18.173 8.171 1.00 0.18 C ATOM 468 O HIS A 30 11.454 17.152 7.608 1.00 0.41 O ATOM 469 CB HIS A 30 13.846 17.895 9.673 1.00 0.04 C ATOM 470 CG HIS A 30 15.367 18.069 9.732 1.00 0.05 C ATOM 471 ND1 HIS A 30 16.003 19.193 9.780 1.00 0.09 N ATOM 472 CD2 HIS A 30 16.364 17.115 9.752 1.00 0.13 C ATOM 473 CE1 HIS A 30 17.284 18.977 9.824 1.00 0.10 C ATOM 474 NE2 HIS A 30 17.548 17.693 9.811 1.00 0.11 N ATOM 0 H HIS A 30 13.698 20.312 9.435 1.00 0.06 H new ATOM 0 HA HIS A 30 13.795 18.105 7.516 1.00 0.08 H new ATOM 0 HB2 HIS A 30 13.387 18.367 10.542 1.00 0.04 H new ATOM 0 HB3 HIS A 30 13.595 16.835 9.716 1.00 0.04 H new ATOM 0 HD1 HIS A 30 15.564 20.114 9.783 1.00 0.09 H new ATOM 0 HD2 HIS A 30 16.198 16.048 9.723 1.00 0.13 H new ATOM 0 HE1 HIS A 30 18.033 19.754 9.866 1.00 0.10 H new ATOM 482 N TYR A 31 10.884 19.017 8.616 1.00 0.26 N ATOM 483 CA TYR A 31 9.422 18.737 8.432 1.00 0.29 C ATOM 484 C TYR A 31 9.197 18.923 6.935 1.00 0.23 C ATOM 485 O TYR A 31 8.556 18.107 6.292 1.00 0.17 O ATOM 486 CB TYR A 31 8.556 19.742 9.211 1.00 0.35 C ATOM 487 CG TYR A 31 7.082 19.294 9.068 1.00 0.28 C ATOM 488 CD1 TYR A 31 6.583 18.209 9.779 1.00 0.24 C ATOM 489 CD2 TYR A 31 6.235 19.964 8.206 1.00 0.27 C ATOM 490 CE1 TYR A 31 5.264 17.808 9.629 1.00 0.19 C ATOM 491 CE2 TYR A 31 4.918 19.556 8.063 1.00 0.19 C ATOM 492 CZ TYR A 31 4.425 18.481 8.770 1.00 0.15 C ATOM 493 OH TYR A 31 3.112 18.086 8.613 1.00 0.12 O ATOM 0 H TYR A 31 11.099 19.889 9.099 1.00 0.26 H new ATOM 0 HA TYR A 31 9.150 17.746 8.795 1.00 0.29 H new ATOM 0 HB2 TYR A 31 8.849 19.768 10.261 1.00 0.35 H new ATOM 0 HB3 TYR A 31 8.690 20.750 8.818 1.00 0.35 H new ATOM 0 HD1 TYR A 31 7.230 17.672 10.456 1.00 0.24 H new ATOM 0 HD2 TYR A 31 6.601 20.809 7.641 1.00 0.27 H new ATOM 0 HE1 TYR A 31 4.893 16.963 10.189 1.00 0.19 H new ATOM 0 HE2 TYR A 31 4.267 20.090 7.386 1.00 0.19 H new ATOM 0 HH TYR A 31 2.668 18.676 7.968 1.00 0.12 H new ATOM 503 N LYS A 32 9.723 20.007 6.413 1.00 0.26 N ATOM 504 CA LYS A 32 9.556 20.246 4.945 1.00 0.23 C ATOM 505 C LYS A 32 10.298 19.115 4.211 1.00 0.10 C ATOM 506 O LYS A 32 9.654 18.489 3.394 1.00 0.15 O ATOM 507 CB LYS A 32 10.118 21.630 4.591 1.00 0.23 C ATOM 508 CG LYS A 32 9.323 22.804 5.252 1.00 0.20 C ATOM 509 CD LYS A 32 7.792 22.776 4.875 1.00 0.43 C ATOM 510 CE LYS A 32 7.548 22.756 3.337 1.00 1.88 C ATOM 511 NZ LYS A 32 6.073 22.701 3.069 1.00 1.49 N ATOM 0 H LYS A 32 10.246 20.718 6.924 1.00 0.26 H new ATOM 0 HA LYS A 32 8.508 20.238 4.646 1.00 0.23 H new ATOM 0 HB2 LYS A 32 11.160 21.683 4.905 1.00 0.23 H new ATOM 0 HB3 LYS A 32 10.105 21.755 3.508 1.00 0.23 H new ATOM 0 HG2 LYS A 32 9.429 22.747 6.335 1.00 0.20 H new ATOM 0 HG3 LYS A 32 9.755 23.754 4.938 1.00 0.20 H new ATOM 0 HD2 LYS A 32 7.328 21.897 5.323 1.00 0.43 H new ATOM 0 HD3 LYS A 32 7.301 23.649 5.305 1.00 0.43 H new ATOM 0 HE2 LYS A 32 7.980 23.645 2.877 1.00 1.88 H new ATOM 0 HE3 LYS A 32 8.043 21.894 2.890 1.00 1.88 H new ATOM 0 HZ1 LYS A 32 5.907 22.688 2.042 1.00 1.49 H new ATOM 0 HZ2 LYS A 32 5.675 21.840 3.496 1.00 1.49 H new ATOM 0 HZ3 LYS A 32 5.614 23.537 3.483 1.00 1.49 H new ATOM 525 N GLN A 33 11.563 18.849 4.458 1.00 0.12 N ATOM 526 CA GLN A 33 12.212 17.705 3.703 1.00 0.24 C ATOM 527 C GLN A 33 11.398 16.404 3.853 1.00 0.21 C ATOM 528 O GLN A 33 11.095 15.719 2.902 1.00 0.29 O ATOM 529 CB GLN A 33 13.634 17.405 4.226 1.00 0.51 C ATOM 530 CG GLN A 33 14.598 18.535 3.840 1.00 1.62 C ATOM 531 CD GLN A 33 14.831 18.652 2.321 1.00 2.34 C ATOM 532 OE1 GLN A 33 14.935 19.730 1.769 1.00 4.39 O ATOM 533 NE2 GLN A 33 14.927 17.576 1.596 1.00 1.77 N ATOM 0 H GLN A 33 12.159 19.346 5.119 1.00 0.12 H new ATOM 0 HA GLN A 33 12.251 18.022 2.661 1.00 0.24 H new ATOM 0 HB2 GLN A 33 13.613 17.291 5.310 1.00 0.51 H new ATOM 0 HB3 GLN A 33 13.988 16.460 3.813 1.00 0.51 H new ATOM 0 HG2 GLN A 33 14.205 19.481 4.213 1.00 1.62 H new ATOM 0 HG3 GLN A 33 15.555 18.370 4.335 1.00 1.62 H new ATOM 0 HE21 GLN A 33 14.844 16.658 2.032 1.00 1.77 H new ATOM 0 HE22 GLN A 33 15.086 17.651 0.591 1.00 1.77 H new ATOM 542 N ALA A 34 11.039 16.080 5.064 1.00 0.20 N ATOM 543 CA ALA A 34 10.255 14.843 5.357 1.00 0.17 C ATOM 544 C ALA A 34 8.958 14.709 4.558 1.00 0.05 C ATOM 545 O ALA A 34 8.724 13.715 3.898 1.00 0.12 O ATOM 546 CB ALA A 34 9.968 14.852 6.860 1.00 0.27 C ATOM 0 H ALA A 34 11.263 16.637 5.888 1.00 0.20 H new ATOM 0 HA ALA A 34 10.846 13.979 5.052 1.00 0.17 H new ATOM 0 HB1 ALA A 34 9.394 13.964 7.126 1.00 0.27 H new ATOM 0 HB2 ALA A 34 10.909 14.855 7.410 1.00 0.27 H new ATOM 0 HB3 ALA A 34 9.396 15.744 7.116 1.00 0.27 H new ATOM 552 N THR A 35 8.144 15.721 4.635 1.00 0.03 N ATOM 553 CA THR A 35 6.836 15.665 3.891 1.00 0.15 C ATOM 554 C THR A 35 6.870 16.038 2.434 1.00 0.63 C ATOM 555 O THR A 35 6.193 15.437 1.627 1.00 0.94 O ATOM 556 CB THR A 35 5.816 16.570 4.578 1.00 0.49 C ATOM 557 OG1 THR A 35 6.396 17.858 4.515 1.00 0.75 O ATOM 558 CG2 THR A 35 5.745 16.320 6.069 1.00 0.67 C ATOM 0 H THR A 35 8.313 16.574 5.168 1.00 0.03 H new ATOM 0 HA THR A 35 6.568 14.609 3.920 1.00 0.15 H new ATOM 0 HB THR A 35 4.840 16.425 4.114 1.00 0.49 H new ATOM 0 HG1 THR A 35 7.046 17.960 5.242 1.00 0.75 H new ATOM 0 HG21 THR A 35 5.007 16.986 6.515 1.00 0.67 H new ATOM 0 HG22 THR A 35 5.456 15.285 6.251 1.00 0.67 H new ATOM 0 HG23 THR A 35 6.721 16.509 6.516 1.00 0.67 H new ATOM 566 N VAL A 36 7.654 17.014 2.118 1.00 0.71 N ATOM 567 CA VAL A 36 7.753 17.465 0.690 1.00 1.18 C ATOM 568 C VAL A 36 9.073 17.048 0.046 1.00 1.24 C ATOM 569 O VAL A 36 9.077 16.565 -1.076 1.00 1.65 O ATOM 570 CB VAL A 36 7.597 19.008 0.648 1.00 1.31 C ATOM 571 CG1 VAL A 36 7.729 19.496 -0.814 1.00 1.73 C ATOM 572 CG2 VAL A 36 6.180 19.372 1.139 1.00 1.46 C ATOM 0 H VAL A 36 8.237 17.529 2.777 1.00 0.71 H new ATOM 0 HA VAL A 36 6.958 16.986 0.118 1.00 1.18 H new ATOM 0 HB VAL A 36 8.361 19.470 1.274 1.00 1.31 H new ATOM 0 HG11 VAL A 36 7.620 20.580 -0.847 1.00 1.73 H new ATOM 0 HG12 VAL A 36 8.708 19.218 -1.203 1.00 1.73 H new ATOM 0 HG13 VAL A 36 6.952 19.034 -1.423 1.00 1.73 H new ATOM 0 HG21 VAL A 36 6.054 20.454 1.116 1.00 1.46 H new ATOM 0 HG22 VAL A 36 5.439 18.906 0.489 1.00 1.46 H new ATOM 0 HG23 VAL A 36 6.045 19.013 2.159 1.00 1.46 H new ATOM 582 N GLY A 37 10.142 17.223 0.773 1.00 0.91 N ATOM 583 CA GLY A 37 11.516 16.869 0.267 1.00 1.03 C ATOM 584 C GLY A 37 12.383 18.087 0.015 1.00 0.86 C ATOM 585 O GLY A 37 12.427 19.059 0.753 1.00 0.77 O ATOM 0 H GLY A 37 10.129 17.605 1.719 1.00 0.91 H new ATOM 0 HA2 GLY A 37 12.009 16.222 0.992 1.00 1.03 H new ATOM 0 HA3 GLY A 37 11.422 16.299 -0.657 1.00 1.03 H new ATOM 589 N ASP A 38 13.087 17.957 -1.072 1.00 0.85 N ATOM 590 CA ASP A 38 13.996 19.002 -1.533 1.00 0.68 C ATOM 591 C ASP A 38 13.207 20.273 -1.808 1.00 0.73 C ATOM 592 O ASP A 38 12.283 20.288 -2.602 1.00 0.83 O ATOM 593 CB ASP A 38 14.666 18.525 -2.814 1.00 0.69 C ATOM 594 CG ASP A 38 15.278 17.143 -2.789 1.00 0.82 C ATOM 595 OD1 ASP A 38 14.709 16.244 -2.191 1.00 1.77 O ATOM 596 OD2 ASP A 38 16.319 17.135 -3.428 1.00 2.82 O ATOM 0 H ASP A 38 13.058 17.132 -1.672 1.00 0.85 H new ATOM 0 HA ASP A 38 14.750 19.210 -0.774 1.00 0.68 H new ATOM 0 HB2 ASP A 38 13.928 18.555 -3.615 1.00 0.69 H new ATOM 0 HB3 ASP A 38 15.448 19.238 -3.074 1.00 0.69 H new ATOM 601 N ILE A 39 13.588 21.322 -1.142 1.00 0.77 N ATOM 602 CA ILE A 39 12.876 22.603 -1.356 1.00 0.88 C ATOM 603 C ILE A 39 12.641 22.860 -2.854 1.00 1.27 C ATOM 604 O ILE A 39 13.543 22.818 -3.671 1.00 1.36 O ATOM 605 CB ILE A 39 13.719 23.684 -0.724 1.00 0.58 C ATOM 606 CG1 ILE A 39 12.787 24.909 -0.578 1.00 0.96 C ATOM 607 CG2 ILE A 39 15.027 23.998 -1.533 1.00 0.46 C ATOM 608 CD1 ILE A 39 13.297 25.568 0.711 1.00 1.08 C ATOM 0 H ILE A 39 14.352 21.348 -0.467 1.00 0.77 H new ATOM 0 HA ILE A 39 11.887 22.583 -0.898 1.00 0.88 H new ATOM 0 HB ILE A 39 14.098 23.365 0.247 1.00 0.58 H new ATOM 0 HG12 ILE A 39 12.863 25.580 -1.434 1.00 0.96 H new ATOM 0 HG13 ILE A 39 11.741 24.615 -0.496 1.00 0.96 H new ATOM 0 HG21 ILE A 39 15.588 24.783 -1.027 1.00 0.46 H new ATOM 0 HG22 ILE A 39 15.639 23.099 -1.598 1.00 0.46 H new ATOM 0 HG23 ILE A 39 14.763 24.331 -2.537 1.00 0.46 H new ATOM 0 HD11 ILE A 39 12.706 26.459 0.922 1.00 1.08 H new ATOM 0 HD12 ILE A 39 13.204 24.866 1.540 1.00 1.08 H new ATOM 0 HD13 ILE A 39 14.343 25.847 0.588 1.00 1.08 H new ATOM 805 N LYS A 52 12.557 33.270 6.972 1.00 1.95 N ATOM 806 CA LYS A 52 13.756 33.121 6.050 1.00 1.79 C ATOM 807 C LYS A 52 14.731 32.056 6.607 1.00 1.21 C ATOM 808 O LYS A 52 15.105 31.128 5.930 1.00 1.32 O ATOM 809 CB LYS A 52 14.439 34.519 5.926 1.00 2.12 C ATOM 810 CG LYS A 52 15.784 34.426 5.127 1.00 2.28 C ATOM 811 CD LYS A 52 16.401 35.864 4.949 1.00 2.82 C ATOM 812 CE LYS A 52 15.705 36.577 3.787 1.00 4.62 C ATOM 813 NZ LYS A 52 16.232 37.974 3.631 1.00 6.25 N ATOM 0 HA LYS A 52 13.446 32.781 5.062 1.00 1.79 H new ATOM 0 HB2 LYS A 52 13.764 35.213 5.426 1.00 2.12 H new ATOM 0 HB3 LYS A 52 14.631 34.922 6.920 1.00 2.12 H new ATOM 0 HG2 LYS A 52 16.487 33.782 5.655 1.00 2.28 H new ATOM 0 HG3 LYS A 52 15.607 33.973 4.151 1.00 2.28 H new ATOM 0 HD2 LYS A 52 16.281 36.439 5.867 1.00 2.82 H new ATOM 0 HD3 LYS A 52 17.471 35.791 4.756 1.00 2.82 H new ATOM 0 HE2 LYS A 52 15.862 36.018 2.864 1.00 4.62 H new ATOM 0 HE3 LYS A 52 14.630 36.606 3.963 1.00 4.62 H new ATOM 0 HZ1 LYS A 52 15.748 38.441 2.838 1.00 6.25 H new ATOM 0 HZ2 LYS A 52 16.060 38.510 4.506 1.00 6.25 H new ATOM 0 HZ3 LYS A 52 17.254 37.940 3.441 1.00 6.25 H new ATOM 827 N ALA A 53 15.065 32.211 7.861 1.00 0.70 N ATOM 828 CA ALA A 53 15.993 31.286 8.561 1.00 0.22 C ATOM 829 C ALA A 53 15.504 29.846 8.306 1.00 0.24 C ATOM 830 O ALA A 53 16.207 28.980 7.850 1.00 0.20 O ATOM 831 CB ALA A 53 15.913 31.702 9.998 1.00 0.14 C ATOM 0 H ALA A 53 14.717 32.971 8.446 1.00 0.70 H new ATOM 0 HA ALA A 53 17.029 31.321 8.225 1.00 0.22 H new ATOM 0 HB1 ALA A 53 16.570 31.071 10.597 1.00 0.14 H new ATOM 0 HB2 ALA A 53 16.224 32.742 10.093 1.00 0.14 H new ATOM 0 HB3 ALA A 53 14.887 31.596 10.351 1.00 0.14 H new ATOM 837 N LYS A 54 14.254 29.652 8.614 1.00 0.63 N ATOM 838 CA LYS A 54 13.575 28.333 8.446 1.00 1.05 C ATOM 839 C LYS A 54 13.659 27.876 6.956 1.00 0.85 C ATOM 840 O LYS A 54 13.928 26.732 6.625 1.00 0.73 O ATOM 841 CB LYS A 54 12.092 28.517 8.914 1.00 1.67 C ATOM 842 CG LYS A 54 11.941 29.181 10.339 1.00 3.27 C ATOM 843 CD LYS A 54 12.377 28.184 11.442 1.00 5.96 C ATOM 844 CE LYS A 54 12.249 28.729 12.888 1.00 8.11 C ATOM 845 NZ LYS A 54 13.319 29.728 13.201 1.00 9.80 N ATOM 0 H LYS A 54 13.649 30.382 8.991 1.00 0.63 H new ATOM 0 HA LYS A 54 14.056 27.557 9.041 1.00 1.05 H new ATOM 0 HB2 LYS A 54 11.565 29.130 8.182 1.00 1.67 H new ATOM 0 HB3 LYS A 54 11.603 27.543 8.926 1.00 1.67 H new ATOM 0 HG2 LYS A 54 12.549 30.084 10.394 1.00 3.27 H new ATOM 0 HG3 LYS A 54 10.906 29.483 10.500 1.00 3.27 H new ATOM 0 HD2 LYS A 54 11.776 27.279 11.354 1.00 5.96 H new ATOM 0 HD3 LYS A 54 13.414 27.897 11.266 1.00 5.96 H new ATOM 0 HE2 LYS A 54 11.271 29.192 13.017 1.00 8.11 H new ATOM 0 HE3 LYS A 54 12.306 27.901 13.595 1.00 8.11 H new ATOM 0 HZ1 LYS A 54 12.939 30.454 13.841 1.00 9.80 H new ATOM 0 HZ2 LYS A 54 14.119 29.247 13.659 1.00 9.80 H new ATOM 0 HZ3 LYS A 54 13.643 30.177 12.321 1.00 9.80 H new ATOM 859 N TRP A 55 13.443 28.812 6.068 1.00 0.92 N ATOM 860 CA TRP A 55 13.491 28.470 4.622 1.00 0.99 C ATOM 861 C TRP A 55 14.875 27.990 4.220 1.00 0.72 C ATOM 862 O TRP A 55 15.097 26.873 3.795 1.00 0.61 O ATOM 863 CB TRP A 55 13.128 29.702 3.793 1.00 1.27 C ATOM 864 CG TRP A 55 12.980 29.163 2.378 1.00 1.34 C ATOM 865 CD1 TRP A 55 11.823 28.635 1.894 1.00 1.61 C ATOM 866 CD2 TRP A 55 13.959 29.096 1.441 1.00 1.24 C ATOM 867 NE1 TRP A 55 12.177 28.272 0.678 1.00 1.59 N ATOM 868 CE2 TRP A 55 13.424 28.509 0.319 1.00 1.38 C ATOM 869 CE3 TRP A 55 15.305 29.476 1.399 1.00 1.15 C ATOM 870 CZ2 TRP A 55 14.188 28.305 -0.817 1.00 1.35 C ATOM 871 CZ3 TRP A 55 16.081 29.274 0.262 1.00 1.26 C ATOM 872 CH2 TRP A 55 15.498 28.682 -0.854 1.00 1.35 C ATOM 0 H TRP A 55 13.238 29.788 6.282 1.00 0.92 H new ATOM 0 HA TRP A 55 12.776 27.668 4.437 1.00 0.99 H new ATOM 0 HB2 TRP A 55 12.204 30.161 4.144 1.00 1.27 H new ATOM 0 HB3 TRP A 55 13.905 30.465 3.850 1.00 1.27 H new ATOM 0 HD1 TRP A 55 10.864 28.539 2.380 1.00 1.61 H new ATOM 0 HE1 TRP A 55 11.516 27.827 0.042 1.00 1.59 H new ATOM 0 HE3 TRP A 55 15.751 29.936 2.268 1.00 1.15 H new ATOM 0 HZ2 TRP A 55 13.741 27.842 -1.684 1.00 1.35 H new ATOM 0 HZ3 TRP A 55 17.119 29.572 0.246 1.00 1.26 H new ATOM 0 HH2 TRP A 55 16.082 28.521 -1.748 1.00 1.35 H new ATOM 883 N ASP A 56 15.762 28.916 4.384 1.00 0.67 N ATOM 884 CA ASP A 56 17.190 28.698 4.072 1.00 0.69 C ATOM 885 C ASP A 56 17.596 27.384 4.781 1.00 0.47 C ATOM 886 O ASP A 56 18.205 26.521 4.184 1.00 0.51 O ATOM 887 CB ASP A 56 17.842 30.014 4.539 1.00 0.99 C ATOM 888 CG ASP A 56 17.504 31.126 3.500 1.00 1.43 C ATOM 889 OD1 ASP A 56 16.396 31.639 3.545 1.00 3.57 O ATOM 890 OD2 ASP A 56 18.352 31.430 2.678 1.00 1.01 O ATOM 0 H ASP A 56 15.548 29.850 4.734 1.00 0.67 H new ATOM 0 HA ASP A 56 17.489 28.536 3.036 1.00 0.69 H new ATOM 0 HB2 ASP A 56 17.471 30.292 5.526 1.00 0.99 H new ATOM 0 HB3 ASP A 56 18.922 29.892 4.627 1.00 0.99 H new ATOM 895 N ALA A 57 17.243 27.247 6.030 1.00 0.26 N ATOM 896 CA ALA A 57 17.557 26.013 6.821 1.00 0.32 C ATOM 897 C ALA A 57 16.926 24.769 6.103 1.00 0.27 C ATOM 898 O ALA A 57 17.444 23.672 6.107 1.00 0.40 O ATOM 899 CB ALA A 57 16.972 26.199 8.213 1.00 0.41 C ATOM 0 H ALA A 57 16.734 27.959 6.554 1.00 0.26 H new ATOM 0 HA ALA A 57 18.632 25.848 6.897 1.00 0.32 H new ATOM 0 HB1 ALA A 57 17.183 25.317 8.817 1.00 0.41 H new ATOM 0 HB2 ALA A 57 17.420 27.075 8.682 1.00 0.41 H new ATOM 0 HB3 ALA A 57 15.894 26.339 8.139 1.00 0.41 H new ATOM 905 N TRP A 58 15.789 24.958 5.482 1.00 0.11 N ATOM 906 CA TRP A 58 15.161 23.806 4.771 1.00 0.09 C ATOM 907 C TRP A 58 16.003 23.642 3.499 1.00 0.15 C ATOM 908 O TRP A 58 16.547 22.574 3.323 1.00 0.06 O ATOM 909 CB TRP A 58 13.732 24.135 4.432 1.00 0.14 C ATOM 910 CG TRP A 58 13.198 23.019 3.513 1.00 0.09 C ATOM 911 CD1 TRP A 58 13.752 21.772 3.273 1.00 0.07 C ATOM 912 CD2 TRP A 58 12.077 23.154 2.780 1.00 0.17 C ATOM 913 NE1 TRP A 58 12.894 21.273 2.399 1.00 0.18 N ATOM 914 CE2 TRP A 58 11.874 22.009 2.042 1.00 0.25 C ATOM 915 CE3 TRP A 58 11.172 24.203 2.677 1.00 0.32 C ATOM 916 CZ2 TRP A 58 10.785 21.875 1.191 1.00 0.44 C ATOM 917 CZ3 TRP A 58 10.073 24.089 1.829 1.00 0.46 C ATOM 918 CH2 TRP A 58 9.876 22.927 1.083 1.00 0.52 C ATOM 0 H TRP A 58 15.279 25.840 5.437 1.00 0.11 H new ATOM 0 HA TRP A 58 15.140 22.894 5.367 1.00 0.09 H new ATOM 0 HB2 TRP A 58 13.130 24.204 5.338 1.00 0.14 H new ATOM 0 HB3 TRP A 58 13.670 25.103 3.934 1.00 0.14 H new ATOM 0 HD1 TRP A 58 14.644 21.327 3.688 1.00 0.07 H new ATOM 0 HE1 TRP A 58 13.025 20.338 2.013 1.00 0.18 H new ATOM 0 HE3 TRP A 58 11.320 25.104 3.253 1.00 0.32 H new ATOM 0 HZ2 TRP A 58 10.644 20.969 0.621 1.00 0.44 H new ATOM 0 HZ3 TRP A 58 9.370 24.905 1.749 1.00 0.46 H new ATOM 0 HH2 TRP A 58 9.024 22.842 0.425 1.00 0.52 H new ATOM 929 N ASN A 59 16.080 24.635 2.647 1.00 0.39 N ATOM 930 CA ASN A 59 16.902 24.569 1.401 1.00 0.48 C ATOM 931 C ASN A 59 18.251 23.877 1.729 1.00 0.43 C ATOM 932 O ASN A 59 18.710 23.075 0.948 1.00 0.40 O ATOM 933 CB ASN A 59 17.045 26.025 0.942 1.00 0.74 C ATOM 934 CG ASN A 59 18.335 26.225 0.186 1.00 0.89 C ATOM 935 OD1 ASN A 59 18.557 25.714 -0.891 1.00 0.85 O ATOM 936 ND2 ASN A 59 19.220 26.975 0.760 1.00 1.13 N ATOM 0 H ASN A 59 15.588 25.520 2.771 1.00 0.39 H new ATOM 0 HA ASN A 59 16.458 23.980 0.599 1.00 0.48 H new ATOM 0 HB2 ASN A 59 16.201 26.295 0.308 1.00 0.74 H new ATOM 0 HB3 ASN A 59 17.019 26.688 1.807 1.00 0.74 H new ATOM 0 HD21 ASN A 59 20.118 27.143 0.306 1.00 1.13 H new ATOM 0 HD22 ASN A 59 19.019 27.398 1.666 1.00 1.13 H new ATOM 943 N GLU A 60 18.832 24.227 2.844 1.00 0.48 N ATOM 944 CA GLU A 60 20.119 23.634 3.303 1.00 0.57 C ATOM 945 C GLU A 60 20.003 22.087 3.251 1.00 0.47 C ATOM 946 O GLU A 60 20.888 21.388 2.804 1.00 0.67 O ATOM 947 CB GLU A 60 20.354 24.158 4.726 1.00 0.67 C ATOM 948 CG GLU A 60 21.456 23.367 5.474 1.00 0.59 C ATOM 949 CD GLU A 60 21.438 23.740 6.959 1.00 0.56 C ATOM 950 OE1 GLU A 60 21.907 24.823 7.262 1.00 1.40 O ATOM 951 OE2 GLU A 60 20.948 22.906 7.700 1.00 0.59 O ATOM 0 H GLU A 60 18.450 24.928 3.479 1.00 0.48 H new ATOM 0 HA GLU A 60 20.964 23.911 2.673 1.00 0.57 H new ATOM 0 HB2 GLU A 60 20.634 25.211 4.681 1.00 0.67 H new ATOM 0 HB3 GLU A 60 19.423 24.100 5.290 1.00 0.67 H new ATOM 0 HG2 GLU A 60 21.293 22.296 5.356 1.00 0.59 H new ATOM 0 HG3 GLU A 60 22.433 23.590 5.045 1.00 0.59 H new ATOM 958 N LEU A 61 18.884 21.588 3.703 1.00 0.32 N ATOM 959 CA LEU A 61 18.623 20.114 3.726 1.00 0.40 C ATOM 960 C LEU A 61 18.069 19.615 2.389 1.00 0.37 C ATOM 961 O LEU A 61 17.707 18.456 2.291 1.00 0.60 O ATOM 962 CB LEU A 61 17.581 19.765 4.795 1.00 0.50 C ATOM 963 CG LEU A 61 17.877 20.394 6.138 1.00 0.52 C ATOM 964 CD1 LEU A 61 16.673 20.039 6.985 1.00 0.56 C ATOM 965 CD2 LEU A 61 19.116 19.747 6.785 1.00 0.62 C ATOM 0 H LEU A 61 18.118 22.154 4.068 1.00 0.32 H new ATOM 0 HA LEU A 61 19.581 19.638 3.937 1.00 0.40 H new ATOM 0 HB2 LEU A 61 16.598 20.092 4.456 1.00 0.50 H new ATOM 0 HB3 LEU A 61 17.535 18.682 4.910 1.00 0.50 H new ATOM 0 HG LEU A 61 18.063 21.464 6.047 1.00 0.52 H new ATOM 0 HD11 LEU A 61 16.796 20.455 7.985 1.00 0.56 H new ATOM 0 HD12 LEU A 61 15.773 20.451 6.529 1.00 0.56 H new ATOM 0 HD13 LEU A 61 16.582 18.955 7.052 1.00 0.56 H new ATOM 0 HD21 LEU A 61 19.309 20.216 7.750 1.00 0.62 H new ATOM 0 HD22 LEU A 61 18.937 18.681 6.929 1.00 0.62 H new ATOM 0 HD23 LEU A 61 19.980 19.885 6.135 1.00 0.62 H new ATOM 977 N LYS A 62 18.014 20.460 1.399 1.00 0.35 N ATOM 978 CA LYS A 62 17.473 20.046 0.087 1.00 0.49 C ATOM 979 C LYS A 62 17.537 18.607 -0.325 1.00 0.79 C ATOM 980 O LYS A 62 16.505 18.054 -0.613 1.00 1.11 O ATOM 981 CB LYS A 62 18.109 20.951 -1.043 1.00 0.72 C ATOM 982 CG LYS A 62 17.434 20.518 -2.375 1.00 1.23 C ATOM 983 CD LYS A 62 18.107 21.037 -3.648 1.00 0.88 C ATOM 984 CE LYS A 62 17.236 20.557 -4.840 1.00 1.98 C ATOM 985 NZ LYS A 62 17.338 19.056 -4.963 1.00 3.50 N ATOM 0 H LYS A 62 18.326 21.430 1.449 1.00 0.35 H new ATOM 0 HA LYS A 62 16.401 20.189 0.222 1.00 0.49 H new ATOM 0 HB2 LYS A 62 17.931 22.007 -0.842 1.00 0.72 H new ATOM 0 HB3 LYS A 62 19.189 20.813 -1.091 1.00 0.72 H new ATOM 0 HG2 LYS A 62 17.411 19.429 -2.414 1.00 1.23 H new ATOM 0 HG3 LYS A 62 16.399 20.859 -2.366 1.00 1.23 H new ATOM 0 HD2 LYS A 62 18.177 22.125 -3.633 1.00 0.88 H new ATOM 0 HD3 LYS A 62 19.124 20.653 -3.732 1.00 0.88 H new ATOM 0 HE2 LYS A 62 16.197 20.851 -4.687 1.00 1.98 H new ATOM 0 HE3 LYS A 62 17.569 21.032 -5.763 1.00 1.98 H new ATOM 0 HZ1 LYS A 62 16.769 18.734 -5.772 1.00 3.50 H new ATOM 0 HZ2 LYS A 62 18.332 18.786 -5.110 1.00 3.50 H new ATOM 0 HZ3 LYS A 62 16.984 18.611 -4.092 1.00 3.50 H new ATOM 999 N GLY A 63 18.648 17.963 -0.322 1.00 0.78 N ATOM 1000 CA GLY A 63 18.665 16.518 -0.770 1.00 1.16 C ATOM 1001 C GLY A 63 18.671 15.501 0.374 1.00 1.33 C ATOM 1002 O GLY A 63 19.357 14.498 0.340 1.00 1.81 O ATOM 0 H GLY A 63 19.549 18.346 -0.037 1.00 0.78 H new ATOM 0 HA2 GLY A 63 17.793 16.335 -1.398 1.00 1.16 H new ATOM 0 HA3 GLY A 63 19.546 16.353 -1.391 1.00 1.16 H new ATOM 1006 N THR A 64 17.878 15.848 1.349 1.00 1.04 N ATOM 1007 CA THR A 64 17.689 15.011 2.584 1.00 1.32 C ATOM 1008 C THR A 64 16.446 14.202 2.266 1.00 1.61 C ATOM 1009 O THR A 64 15.421 14.797 1.977 1.00 2.37 O ATOM 1010 CB THR A 64 17.431 15.917 3.769 1.00 1.20 C ATOM 1011 OG1 THR A 64 18.661 16.586 3.916 1.00 0.90 O ATOM 1012 CG2 THR A 64 17.333 15.187 5.082 1.00 1.54 C ATOM 0 H THR A 64 17.330 16.708 1.346 1.00 1.04 H new ATOM 0 HA THR A 64 18.551 14.391 2.831 1.00 1.32 H new ATOM 0 HB THR A 64 16.518 16.484 3.588 1.00 1.20 H new ATOM 0 HG1 THR A 64 18.674 17.377 3.338 1.00 0.90 H new ATOM 0 HG21 THR A 64 17.147 15.902 5.883 1.00 1.54 H new ATOM 0 HG22 THR A 64 16.513 14.470 5.039 1.00 1.54 H new ATOM 0 HG23 THR A 64 18.267 14.660 5.276 1.00 1.54 H new ATOM 1020 N SER A 65 16.536 12.900 2.332 1.00 1.02 N ATOM 1021 CA SER A 65 15.320 12.088 2.006 1.00 1.23 C ATOM 1022 C SER A 65 14.157 12.311 2.966 1.00 1.19 C ATOM 1023 O SER A 65 14.296 12.716 4.109 1.00 1.60 O ATOM 1024 CB SER A 65 15.703 10.588 2.002 1.00 1.36 C ATOM 1025 OG SER A 65 14.490 9.898 1.684 1.00 3.67 O ATOM 0 H SER A 65 17.371 12.373 2.589 1.00 1.02 H new ATOM 0 HA SER A 65 14.976 12.414 1.024 1.00 1.23 H new ATOM 0 HB2 SER A 65 16.480 10.381 1.266 1.00 1.36 H new ATOM 0 HB3 SER A 65 16.092 10.277 2.972 1.00 1.36 H new ATOM 0 HG SER A 65 14.659 8.933 1.662 1.00 3.67 H new ATOM 1031 N LYS A 66 13.011 11.984 2.444 1.00 0.97 N ATOM 1032 CA LYS A 66 11.764 12.140 3.225 1.00 1.02 C ATOM 1033 C LYS A 66 11.917 11.280 4.456 1.00 1.01 C ATOM 1034 O LYS A 66 11.413 11.647 5.499 1.00 1.30 O ATOM 1035 CB LYS A 66 10.622 11.741 2.258 1.00 0.82 C ATOM 1036 CG LYS A 66 10.683 12.897 1.236 1.00 2.15 C ATOM 1037 CD LYS A 66 9.873 12.695 -0.049 1.00 2.50 C ATOM 1038 CE LYS A 66 10.301 13.896 -0.876 1.00 2.91 C ATOM 1039 NZ LYS A 66 9.522 14.030 -2.137 1.00 3.53 N ATOM 0 H LYS A 66 12.887 11.613 1.502 1.00 0.97 H new ATOM 0 HA LYS A 66 11.542 13.144 3.587 1.00 1.02 H new ATOM 0 HB2 LYS A 66 10.795 10.770 1.793 1.00 0.82 H new ATOM 0 HB3 LYS A 66 9.656 11.686 2.761 1.00 0.82 H new ATOM 0 HG2 LYS A 66 10.334 13.807 1.724 1.00 2.15 H new ATOM 0 HG3 LYS A 66 11.726 13.061 0.964 1.00 2.15 H new ATOM 0 HD2 LYS A 66 10.114 11.753 -0.541 1.00 2.50 H new ATOM 0 HD3 LYS A 66 8.800 12.690 0.140 1.00 2.50 H new ATOM 0 HE2 LYS A 66 10.182 14.802 -0.282 1.00 2.91 H new ATOM 0 HE3 LYS A 66 11.361 13.808 -1.116 1.00 2.91 H new ATOM 0 HZ1 LYS A 66 10.151 13.880 -2.951 1.00 3.53 H new ATOM 0 HZ2 LYS A 66 8.761 13.321 -2.152 1.00 3.53 H new ATOM 0 HZ3 LYS A 66 9.109 14.983 -2.190 1.00 3.53 H new ATOM 1053 N GLU A 67 12.641 10.197 4.274 1.00 0.67 N ATOM 1054 CA GLU A 67 12.906 9.239 5.356 1.00 0.64 C ATOM 1055 C GLU A 67 13.987 9.861 6.263 1.00 0.37 C ATOM 1056 O GLU A 67 13.813 9.827 7.462 1.00 0.29 O ATOM 1057 CB GLU A 67 13.401 7.911 4.720 1.00 0.83 C ATOM 1058 CG GLU A 67 12.284 7.052 4.027 1.00 1.33 C ATOM 1059 CD GLU A 67 12.795 5.605 3.840 1.00 1.75 C ATOM 1060 OE1 GLU A 67 13.718 5.443 3.057 1.00 2.12 O ATOM 1061 OE2 GLU A 67 12.231 4.757 4.511 1.00 3.01 O ATOM 0 H GLU A 67 13.066 9.945 3.382 1.00 0.67 H new ATOM 0 HA GLU A 67 12.016 9.026 5.948 1.00 0.64 H new ATOM 0 HB2 GLU A 67 14.170 8.143 3.983 1.00 0.83 H new ATOM 0 HB3 GLU A 67 13.874 7.308 5.495 1.00 0.83 H new ATOM 0 HG2 GLU A 67 11.378 7.055 4.634 1.00 1.33 H new ATOM 0 HG3 GLU A 67 12.022 7.485 3.062 1.00 1.33 H new ATOM 1068 N ASP A 68 15.056 10.401 5.722 1.00 0.39 N ATOM 1069 CA ASP A 68 16.127 11.015 6.549 1.00 0.34 C ATOM 1070 C ASP A 68 15.542 12.031 7.488 1.00 0.13 C ATOM 1071 O ASP A 68 15.788 12.016 8.675 1.00 0.08 O ATOM 1072 CB ASP A 68 17.083 11.601 5.569 1.00 0.84 C ATOM 1073 CG ASP A 68 17.821 10.518 4.806 1.00 1.48 C ATOM 1074 OD1 ASP A 68 17.889 9.371 5.248 1.00 2.11 O ATOM 1075 OD2 ASP A 68 18.273 10.994 3.780 1.00 2.14 O ATOM 0 H ASP A 68 15.227 10.439 4.717 1.00 0.39 H new ATOM 0 HA ASP A 68 16.638 10.298 7.192 1.00 0.34 H new ATOM 0 HB2 ASP A 68 16.544 12.240 4.869 1.00 0.84 H new ATOM 0 HB3 ASP A 68 17.800 12.234 6.091 1.00 0.84 H new ATOM 1080 N ALA A 69 14.759 12.862 6.867 1.00 0.34 N ATOM 1081 CA ALA A 69 14.058 13.962 7.571 1.00 0.38 C ATOM 1082 C ALA A 69 13.116 13.254 8.536 1.00 0.35 C ATOM 1083 O ALA A 69 13.250 13.528 9.702 1.00 0.39 O ATOM 1084 CB ALA A 69 13.361 14.776 6.505 1.00 0.38 C ATOM 0 H ALA A 69 14.571 12.821 5.865 1.00 0.34 H new ATOM 0 HA ALA A 69 14.685 14.652 8.136 1.00 0.38 H new ATOM 0 HB1 ALA A 69 12.826 15.604 6.971 1.00 0.38 H new ATOM 0 HB2 ALA A 69 14.099 15.169 5.806 1.00 0.38 H new ATOM 0 HB3 ALA A 69 12.654 14.143 5.968 1.00 0.38 H new ATOM 1090 N MET A 70 12.205 12.401 8.119 1.00 0.44 N ATOM 1091 CA MET A 70 11.322 11.714 9.093 1.00 0.41 C ATOM 1092 C MET A 70 12.125 11.191 10.312 1.00 0.31 C ATOM 1093 O MET A 70 11.894 11.608 11.419 1.00 0.25 O ATOM 1094 CB MET A 70 10.646 10.590 8.308 1.00 0.56 C ATOM 1095 CG MET A 70 9.402 11.168 7.615 1.00 0.91 C ATOM 1096 SD MET A 70 8.191 10.052 6.858 1.00 1.30 S ATOM 1097 CE MET A 70 7.953 10.896 5.273 1.00 0.79 C ATOM 0 H MET A 70 12.043 12.157 7.142 1.00 0.44 H new ATOM 0 HA MET A 70 10.579 12.389 9.518 1.00 0.41 H new ATOM 0 HB2 MET A 70 11.333 10.175 7.571 1.00 0.56 H new ATOM 0 HB3 MET A 70 10.365 9.776 8.976 1.00 0.56 H new ATOM 0 HG2 MET A 70 8.871 11.772 8.351 1.00 0.91 H new ATOM 0 HG3 MET A 70 9.750 11.847 6.836 1.00 0.91 H new ATOM 0 HE1 MET A 70 7.421 10.238 4.586 1.00 0.79 H new ATOM 0 HE2 MET A 70 7.371 11.805 5.428 1.00 0.79 H new ATOM 0 HE3 MET A 70 8.923 11.154 4.849 1.00 0.79 H new ATOM 1107 N LYS A 71 13.065 10.316 10.062 1.00 0.32 N ATOM 1108 CA LYS A 71 13.930 9.713 11.129 1.00 0.23 C ATOM 1109 C LYS A 71 14.623 10.782 11.991 1.00 0.13 C ATOM 1110 O LYS A 71 14.373 10.890 13.172 1.00 0.17 O ATOM 1111 CB LYS A 71 15.045 8.830 10.505 1.00 0.34 C ATOM 1112 CG LYS A 71 14.481 7.542 9.855 1.00 0.55 C ATOM 1113 CD LYS A 71 15.569 6.898 8.921 1.00 0.77 C ATOM 1114 CE LYS A 71 15.637 7.751 7.672 1.00 1.77 C ATOM 1115 NZ LYS A 71 16.673 7.298 6.686 1.00 3.19 N ATOM 0 H LYS A 71 13.279 9.980 9.123 1.00 0.32 H new ATOM 0 HA LYS A 71 13.263 9.117 11.752 1.00 0.23 H new ATOM 0 HB2 LYS A 71 15.584 9.407 9.754 1.00 0.34 H new ATOM 0 HB3 LYS A 71 15.765 8.559 11.277 1.00 0.34 H new ATOM 0 HG2 LYS A 71 14.186 6.833 10.628 1.00 0.55 H new ATOM 0 HG3 LYS A 71 13.586 7.776 9.279 1.00 0.55 H new ATOM 0 HD2 LYS A 71 16.537 6.867 9.421 1.00 0.77 H new ATOM 0 HD3 LYS A 71 15.305 5.870 8.673 1.00 0.77 H new ATOM 0 HE2 LYS A 71 14.661 7.747 7.187 1.00 1.77 H new ATOM 0 HE3 LYS A 71 15.847 8.782 7.958 1.00 1.77 H new ATOM 0 HZ1 LYS A 71 17.148 8.127 6.276 1.00 3.19 H new ATOM 0 HZ2 LYS A 71 17.375 6.701 7.169 1.00 3.19 H new ATOM 0 HZ3 LYS A 71 16.216 6.751 5.929 1.00 3.19 H new ATOM 1129 N ALA A 72 15.470 11.557 11.360 1.00 0.17 N ATOM 1130 CA ALA A 72 16.222 12.630 12.060 1.00 0.24 C ATOM 1131 C ALA A 72 15.266 13.484 12.891 1.00 0.23 C ATOM 1132 O ALA A 72 15.489 13.733 14.058 1.00 0.34 O ATOM 1133 CB ALA A 72 16.928 13.440 10.968 1.00 0.38 C ATOM 0 H ALA A 72 15.673 11.484 10.363 1.00 0.17 H new ATOM 0 HA ALA A 72 16.956 12.230 12.760 1.00 0.24 H new ATOM 0 HB1 ALA A 72 17.500 14.247 11.426 1.00 0.38 H new ATOM 0 HB2 ALA A 72 17.602 12.789 10.410 1.00 0.38 H new ATOM 0 HB3 ALA A 72 16.186 13.861 10.290 1.00 0.38 H new ATOM 1139 N TYR A 73 14.204 13.884 12.246 1.00 0.20 N ATOM 1140 CA TYR A 73 13.172 14.728 12.898 1.00 0.30 C ATOM 1141 C TYR A 73 12.642 13.959 14.114 1.00 0.28 C ATOM 1142 O TYR A 73 12.743 14.428 15.216 1.00 0.39 O ATOM 1143 CB TYR A 73 12.116 14.977 11.820 1.00 0.34 C ATOM 1144 CG TYR A 73 10.981 15.857 12.299 1.00 0.40 C ATOM 1145 CD1 TYR A 73 10.062 15.414 13.220 1.00 2.14 C ATOM 1146 CD2 TYR A 73 10.876 17.128 11.796 1.00 2.61 C ATOM 1147 CE1 TYR A 73 9.045 16.249 13.632 1.00 2.16 C ATOM 1148 CE2 TYR A 73 9.868 17.955 12.207 1.00 2.61 C ATOM 1149 CZ TYR A 73 8.950 17.521 13.127 1.00 0.50 C ATOM 1150 OH TYR A 73 7.951 18.357 13.571 1.00 0.56 O ATOM 0 H TYR A 73 14.008 13.654 11.272 1.00 0.20 H new ATOM 0 HA TYR A 73 13.532 15.687 13.269 1.00 0.30 H new ATOM 0 HB2 TYR A 73 12.589 15.442 10.955 1.00 0.34 H new ATOM 0 HB3 TYR A 73 11.712 14.021 11.487 1.00 0.34 H new ATOM 0 HD1 TYR A 73 10.136 14.414 13.620 1.00 2.14 H new ATOM 0 HD2 TYR A 73 11.595 17.478 11.070 1.00 2.61 H new ATOM 0 HE1 TYR A 73 8.321 15.901 14.354 1.00 2.16 H new ATOM 0 HE2 TYR A 73 9.795 18.955 11.805 1.00 2.61 H new ATOM 0 HH TYR A 73 7.593 18.869 12.816 1.00 0.56 H new ATOM 1160 N ILE A 74 12.100 12.804 13.853 1.00 0.19 N ATOM 1161 CA ILE A 74 11.515 11.879 14.885 1.00 0.19 C ATOM 1162 C ILE A 74 12.421 11.833 16.086 1.00 0.14 C ATOM 1163 O ILE A 74 12.010 12.166 17.174 1.00 0.17 O ATOM 1164 CB ILE A 74 11.358 10.479 14.250 1.00 0.19 C ATOM 1165 CG1 ILE A 74 10.123 10.495 13.335 1.00 0.18 C ATOM 1166 CG2 ILE A 74 11.197 9.381 15.342 1.00 0.18 C ATOM 1167 CD1 ILE A 74 10.185 9.271 12.390 1.00 0.22 C ATOM 0 H ILE A 74 12.032 12.435 12.905 1.00 0.19 H new ATOM 0 HA ILE A 74 10.538 12.232 15.214 1.00 0.19 H new ATOM 0 HB ILE A 74 12.254 10.244 13.675 1.00 0.19 H new ATOM 0 HG12 ILE A 74 9.211 10.465 13.932 1.00 0.18 H new ATOM 0 HG13 ILE A 74 10.095 11.418 12.756 1.00 0.18 H new ATOM 0 HG21 ILE A 74 11.089 8.407 14.865 1.00 0.18 H new ATOM 0 HG22 ILE A 74 12.078 9.375 15.984 1.00 0.18 H new ATOM 0 HG23 ILE A 74 10.312 9.592 15.942 1.00 0.18 H new ATOM 0 HD11 ILE A 74 9.313 9.272 11.736 1.00 0.22 H new ATOM 0 HD12 ILE A 74 11.091 9.323 11.787 1.00 0.22 H new ATOM 0 HD13 ILE A 74 10.194 8.355 12.981 1.00 0.22 H new ATOM 1179 N ASP A 75 13.641 11.436 15.863 1.00 0.11 N ATOM 1180 CA ASP A 75 14.632 11.350 16.958 1.00 0.18 C ATOM 1181 C ASP A 75 14.805 12.749 17.603 1.00 0.03 C ATOM 1182 O ASP A 75 14.780 12.940 18.799 1.00 0.16 O ATOM 1183 CB ASP A 75 15.867 10.790 16.259 1.00 0.38 C ATOM 1184 CG ASP A 75 15.706 9.288 16.064 1.00 0.68 C ATOM 1185 OD1 ASP A 75 15.707 8.640 17.093 1.00 0.88 O ATOM 1186 OD2 ASP A 75 15.593 8.888 14.918 1.00 0.80 O ATOM 0 H ASP A 75 13.996 11.163 14.947 1.00 0.11 H new ATOM 0 HA ASP A 75 14.362 10.712 17.799 1.00 0.18 H new ATOM 0 HB2 ASP A 75 16.005 11.279 15.295 1.00 0.38 H new ATOM 0 HB3 ASP A 75 16.758 10.997 16.852 1.00 0.38 H new ATOM 1191 N LYS A 76 14.972 13.732 16.766 1.00 0.14 N ATOM 1192 CA LYS A 76 15.145 15.129 17.272 1.00 0.14 C ATOM 1193 C LYS A 76 13.989 15.462 18.230 1.00 0.13 C ATOM 1194 O LYS A 76 14.146 15.953 19.327 1.00 0.16 O ATOM 1195 CB LYS A 76 15.103 16.114 16.118 1.00 0.22 C ATOM 1196 CG LYS A 76 15.929 17.392 16.479 1.00 0.88 C ATOM 1197 CD LYS A 76 15.525 17.987 17.872 1.00 1.19 C ATOM 1198 CE LYS A 76 16.281 19.252 18.225 1.00 1.87 C ATOM 1199 NZ LYS A 76 17.720 18.877 18.405 1.00 2.35 N ATOM 0 H LYS A 76 14.997 13.633 15.751 1.00 0.14 H new ATOM 0 HA LYS A 76 16.105 15.202 17.782 1.00 0.14 H new ATOM 0 HB2 LYS A 76 15.508 15.651 15.218 1.00 0.22 H new ATOM 0 HB3 LYS A 76 14.071 16.387 15.899 1.00 0.22 H new ATOM 0 HG2 LYS A 76 16.991 17.146 16.486 1.00 0.88 H new ATOM 0 HG3 LYS A 76 15.782 18.147 15.707 1.00 0.88 H new ATOM 0 HD2 LYS A 76 14.456 18.199 17.873 1.00 1.19 H new ATOM 0 HD3 LYS A 76 15.702 17.239 18.644 1.00 1.19 H new ATOM 0 HE2 LYS A 76 16.174 19.996 17.436 1.00 1.87 H new ATOM 0 HE3 LYS A 76 15.883 19.695 19.138 1.00 1.87 H new ATOM 0 HZ1 LYS A 76 18.229 19.662 18.858 1.00 2.35 H new ATOM 0 HZ2 LYS A 76 17.786 18.030 19.005 1.00 2.35 H new ATOM 0 HZ3 LYS A 76 18.146 18.678 17.477 1.00 2.35 H new ATOM 1213 N VAL A 77 12.801 15.180 17.794 1.00 0.17 N ATOM 1214 CA VAL A 77 11.623 15.463 18.636 1.00 0.29 C ATOM 1215 C VAL A 77 11.826 14.579 19.845 1.00 0.44 C ATOM 1216 O VAL A 77 11.719 15.107 20.924 1.00 0.68 O ATOM 1217 CB VAL A 77 10.355 15.133 17.843 1.00 0.33 C ATOM 1218 CG1 VAL A 77 9.181 15.318 18.813 1.00 0.46 C ATOM 1219 CG2 VAL A 77 10.226 16.214 16.734 1.00 0.37 C ATOM 0 H VAL A 77 12.597 14.764 16.886 1.00 0.17 H new ATOM 0 HA VAL A 77 11.513 16.504 18.939 1.00 0.29 H new ATOM 0 HB VAL A 77 10.375 14.129 17.418 1.00 0.33 H new ATOM 0 HG11 VAL A 77 8.246 15.095 18.299 1.00 0.46 H new ATOM 0 HG12 VAL A 77 9.299 14.643 19.660 1.00 0.46 H new ATOM 0 HG13 VAL A 77 9.162 16.348 19.170 1.00 0.46 H new ATOM 0 HG21 VAL A 77 9.333 16.021 16.140 1.00 0.37 H new ATOM 0 HG22 VAL A 77 10.150 17.199 17.194 1.00 0.37 H new ATOM 0 HG23 VAL A 77 11.105 16.181 16.090 1.00 0.37 H new ATOM 1229 N GLU A 78 12.107 13.305 19.700 1.00 0.36 N ATOM 1230 CA GLU A 78 12.329 12.454 20.934 1.00 0.55 C ATOM 1231 C GLU A 78 13.273 13.276 21.861 1.00 0.45 C ATOM 1232 O GLU A 78 13.058 13.357 23.058 1.00 0.55 O ATOM 1233 CB GLU A 78 12.970 11.112 20.532 1.00 0.72 C ATOM 1234 CG GLU A 78 13.474 10.310 21.799 1.00 1.35 C ATOM 1235 CD GLU A 78 12.428 10.009 22.873 1.00 1.61 C ATOM 1236 OE1 GLU A 78 11.379 9.458 22.579 1.00 2.12 O ATOM 1237 OE2 GLU A 78 12.715 10.341 24.011 1.00 2.42 O ATOM 0 H GLU A 78 12.193 12.819 18.807 1.00 0.36 H new ATOM 0 HA GLU A 78 11.395 12.221 21.446 1.00 0.55 H new ATOM 0 HB2 GLU A 78 12.245 10.511 19.984 1.00 0.72 H new ATOM 0 HB3 GLU A 78 13.807 11.294 19.858 1.00 0.72 H new ATOM 0 HG2 GLU A 78 13.897 9.364 21.459 1.00 1.35 H new ATOM 0 HG3 GLU A 78 14.285 10.874 22.260 1.00 1.35 H new ATOM 1244 N GLU A 79 14.290 13.900 21.303 1.00 0.37 N ATOM 1245 CA GLU A 79 15.209 14.709 22.165 1.00 0.46 C ATOM 1246 C GLU A 79 14.333 15.795 22.802 1.00 0.35 C ATOM 1247 O GLU A 79 14.206 15.822 24.001 1.00 0.37 O ATOM 1248 CB GLU A 79 16.338 15.388 21.325 1.00 0.60 C ATOM 1249 CG GLU A 79 17.622 14.511 21.291 1.00 1.17 C ATOM 1250 CD GLU A 79 18.119 14.271 22.711 1.00 2.66 C ATOM 1251 OE1 GLU A 79 18.268 15.232 23.451 1.00 4.07 O ATOM 1252 OE2 GLU A 79 18.330 13.121 23.029 1.00 4.03 O ATOM 0 H GLU A 79 14.518 13.884 20.309 1.00 0.37 H new ATOM 0 HA GLU A 79 15.698 14.072 22.903 1.00 0.46 H new ATOM 0 HB2 GLU A 79 15.985 15.559 20.308 1.00 0.60 H new ATOM 0 HB3 GLU A 79 16.573 16.364 21.749 1.00 0.60 H new ATOM 0 HG2 GLU A 79 17.411 13.559 20.804 1.00 1.17 H new ATOM 0 HG3 GLU A 79 18.396 15.005 20.703 1.00 1.17 H new ATOM 1259 N LEU A 80 13.741 16.654 22.014 1.00 0.25 N ATOM 1260 CA LEU A 80 12.864 17.738 22.582 1.00 0.16 C ATOM 1261 C LEU A 80 11.811 17.229 23.570 1.00 0.22 C ATOM 1262 O LEU A 80 11.419 17.936 24.472 1.00 0.70 O ATOM 1263 CB LEU A 80 12.101 18.478 21.463 1.00 0.30 C ATOM 1264 CG LEU A 80 13.015 19.265 20.533 1.00 0.52 C ATOM 1265 CD1 LEU A 80 12.119 19.979 19.526 1.00 0.64 C ATOM 1266 CD2 LEU A 80 13.737 20.359 21.318 1.00 0.58 C ATOM 0 H LEU A 80 13.823 16.657 20.997 1.00 0.25 H new ATOM 0 HA LEU A 80 13.554 18.398 23.108 1.00 0.16 H new ATOM 0 HB2 LEU A 80 11.535 17.754 20.878 1.00 0.30 H new ATOM 0 HB3 LEU A 80 11.378 19.159 21.913 1.00 0.30 H new ATOM 0 HG LEU A 80 13.735 18.593 20.066 1.00 0.52 H new ATOM 0 HD11 LEU A 80 12.735 20.557 18.837 1.00 0.64 H new ATOM 0 HD12 LEU A 80 11.542 19.243 18.966 1.00 0.64 H new ATOM 0 HD13 LEU A 80 11.439 20.648 20.054 1.00 0.64 H new ATOM 0 HD21 LEU A 80 14.389 20.918 20.647 1.00 0.58 H new ATOM 0 HD22 LEU A 80 13.004 21.035 21.758 1.00 0.58 H new ATOM 0 HD23 LEU A 80 14.334 19.905 22.109 1.00 0.58 H new ATOM 1278 N LYS A 81 11.410 16.012 23.379 1.00 0.34 N ATOM 1279 CA LYS A 81 10.376 15.326 24.215 1.00 0.51 C ATOM 1280 C LYS A 81 10.935 15.014 25.582 1.00 0.33 C ATOM 1281 O LYS A 81 10.332 15.316 26.586 1.00 0.45 O ATOM 1282 CB LYS A 81 9.957 14.059 23.435 1.00 0.83 C ATOM 1283 CG LYS A 81 9.176 12.988 24.275 1.00 1.15 C ATOM 1284 CD LYS A 81 10.172 11.972 24.962 1.00 3.16 C ATOM 1285 CE LYS A 81 9.613 10.524 24.831 1.00 3.01 C ATOM 1286 NZ LYS A 81 10.656 9.544 25.277 1.00 5.40 N ATOM 0 H LYS A 81 11.777 15.423 22.631 1.00 0.34 H new ATOM 0 HA LYS A 81 9.502 15.954 24.389 1.00 0.51 H new ATOM 0 HB2 LYS A 81 9.336 14.360 22.591 1.00 0.83 H new ATOM 0 HB3 LYS A 81 10.852 13.593 23.022 1.00 0.83 H new ATOM 0 HG2 LYS A 81 8.575 13.485 25.037 1.00 1.15 H new ATOM 0 HG3 LYS A 81 8.486 12.446 23.628 1.00 1.15 H new ATOM 0 HD2 LYS A 81 11.154 12.037 24.494 1.00 3.16 H new ATOM 0 HD3 LYS A 81 10.302 12.229 26.013 1.00 3.16 H new ATOM 0 HE2 LYS A 81 8.713 10.414 25.436 1.00 3.01 H new ATOM 0 HE3 LYS A 81 9.329 10.324 23.798 1.00 3.01 H new ATOM 0 HZ1 LYS A 81 10.549 8.657 24.745 1.00 5.40 H new ATOM 0 HZ2 LYS A 81 11.602 9.940 25.103 1.00 5.40 H new ATOM 0 HZ3 LYS A 81 10.542 9.354 26.293 1.00 5.40 H new ATOM 1300 N LYS A 82 12.088 14.426 25.595 1.00 0.18 N ATOM 1301 CA LYS A 82 12.751 14.067 26.872 1.00 0.18 C ATOM 1302 C LYS A 82 13.275 15.381 27.522 1.00 0.10 C ATOM 1303 O LYS A 82 13.185 15.605 28.711 1.00 0.14 O ATOM 1304 CB LYS A 82 13.804 13.053 26.412 1.00 0.43 C ATOM 1305 CG LYS A 82 15.110 13.233 27.151 1.00 2.04 C ATOM 1306 CD LYS A 82 16.102 12.143 26.656 1.00 3.60 C ATOM 1307 CE LYS A 82 16.569 12.492 25.249 1.00 4.93 C ATOM 1308 NZ LYS A 82 17.423 13.707 25.400 1.00 7.20 N ATOM 0 H LYS A 82 12.612 14.173 24.757 1.00 0.18 H new ATOM 0 HA LYS A 82 12.142 13.619 27.657 1.00 0.18 H new ATOM 0 HB2 LYS A 82 13.431 12.042 26.573 1.00 0.43 H new ATOM 0 HB3 LYS A 82 13.973 13.164 25.341 1.00 0.43 H new ATOM 0 HG2 LYS A 82 15.516 14.228 26.968 1.00 2.04 H new ATOM 0 HG3 LYS A 82 14.954 13.145 28.226 1.00 2.04 H new ATOM 0 HD2 LYS A 82 16.956 12.079 27.330 1.00 3.60 H new ATOM 0 HD3 LYS A 82 15.619 11.166 26.660 1.00 3.60 H new ATOM 0 HE2 LYS A 82 17.132 11.670 24.807 1.00 4.93 H new ATOM 0 HE3 LYS A 82 15.722 12.688 24.592 1.00 4.93 H new ATOM 0 HZ1 LYS A 82 16.934 14.528 24.991 1.00 7.20 H new ATOM 0 HZ2 LYS A 82 17.605 13.880 26.409 1.00 7.20 H new ATOM 0 HZ3 LYS A 82 18.326 13.560 24.905 1.00 7.20 H new ATOM 1322 N LYS A 83 13.804 16.205 26.665 1.00 0.17 N ATOM 1323 CA LYS A 83 14.393 17.553 26.996 1.00 0.19 C ATOM 1324 C LYS A 83 13.371 18.519 27.606 1.00 0.37 C ATOM 1325 O LYS A 83 13.603 19.126 28.627 1.00 0.48 O ATOM 1326 CB LYS A 83 14.968 18.112 25.676 1.00 0.26 C ATOM 1327 CG LYS A 83 16.031 19.232 25.806 1.00 0.57 C ATOM 1328 CD LYS A 83 15.432 20.485 26.480 1.00 1.97 C ATOM 1329 CE LYS A 83 16.352 21.676 26.292 1.00 1.75 C ATOM 1330 NZ LYS A 83 16.358 22.048 24.847 1.00 1.73 N ATOM 0 H LYS A 83 13.859 15.987 25.670 1.00 0.17 H new ATOM 0 HA LYS A 83 15.165 17.442 27.758 1.00 0.19 H new ATOM 0 HB2 LYS A 83 15.409 17.286 25.119 1.00 0.26 H new ATOM 0 HB3 LYS A 83 14.141 18.494 25.078 1.00 0.26 H new ATOM 0 HG2 LYS A 83 16.877 18.870 26.390 1.00 0.57 H new ATOM 0 HG3 LYS A 83 16.413 19.493 24.819 1.00 0.57 H new ATOM 0 HD2 LYS A 83 14.453 20.703 26.053 1.00 1.97 H new ATOM 0 HD3 LYS A 83 15.282 20.297 27.543 1.00 1.97 H new ATOM 0 HE2 LYS A 83 16.012 22.516 26.898 1.00 1.75 H new ATOM 0 HE3 LYS A 83 17.361 21.431 26.624 1.00 1.75 H new ATOM 0 HZ1 LYS A 83 17.214 22.598 24.634 1.00 1.73 H new ATOM 0 HZ2 LYS A 83 16.348 21.185 24.266 1.00 1.73 H new ATOM 0 HZ3 LYS A 83 15.516 22.620 24.632 1.00 1.73 H new ATOM 1344 N TYR A 84 12.270 18.622 26.927 1.00 0.42 N ATOM 1345 CA TYR A 84 11.103 19.519 27.323 1.00 0.62 C ATOM 1346 C TYR A 84 9.746 18.890 27.780 1.00 1.42 C ATOM 1347 O TYR A 84 9.065 19.462 28.608 1.00 2.22 O ATOM 1348 CB TYR A 84 10.737 20.455 26.149 1.00 0.77 C ATOM 1349 CG TYR A 84 11.815 21.473 25.801 1.00 0.77 C ATOM 1350 CD1 TYR A 84 12.163 22.466 26.687 1.00 0.58 C ATOM 1351 CD2 TYR A 84 12.444 21.411 24.581 1.00 1.36 C ATOM 1352 CE1 TYR A 84 13.132 23.389 26.349 1.00 1.12 C ATOM 1353 CE2 TYR A 84 13.410 22.332 24.247 1.00 1.77 C ATOM 1354 CZ TYR A 84 13.759 23.327 25.130 1.00 1.68 C ATOM 1355 OH TYR A 84 14.732 24.252 24.818 1.00 2.23 O ATOM 0 H TYR A 84 12.103 18.102 26.066 1.00 0.42 H new ATOM 0 HA TYR A 84 11.518 19.991 28.214 1.00 0.62 H new ATOM 0 HB2 TYR A 84 10.528 19.849 25.268 1.00 0.77 H new ATOM 0 HB3 TYR A 84 9.818 20.986 26.396 1.00 0.77 H new ATOM 0 HD1 TYR A 84 11.677 22.524 27.650 1.00 0.58 H new ATOM 0 HD2 TYR A 84 12.178 20.634 23.879 1.00 1.36 H new ATOM 0 HE1 TYR A 84 13.399 24.166 27.050 1.00 1.12 H new ATOM 0 HE2 TYR A 84 13.897 22.273 23.285 1.00 1.77 H new ATOM 0 HH TYR A 84 14.908 24.229 23.854 1.00 2.23 H new