USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 15:sc= 0 USER MOD Single : A 18 THR OG1 : rot -70:sc= 1.02 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.673 K(o=-0.67,f=-3.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.1!) USER MOD Single : A 60 THR OG1 : rot -60:sc= 0.132 USER MOD Single : A 68 LYS NZ :NH3+ -122:sc= -0.537 (180deg=-1.87!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.680 -0.329 -14.126 1.00 0.00 N ATOM 2 CA MET A 1 12.803 0.553 -15.274 1.00 0.00 C ATOM 3 C MET A 1 11.445 0.778 -15.941 1.00 0.00 C ATOM 4 O MET A 1 10.927 1.894 -15.942 1.00 0.00 O ATOM 5 CB MET A 1 13.774 -0.059 -16.286 1.00 0.00 C ATOM 6 CG MET A 1 15.203 0.428 -16.038 1.00 0.00 C ATOM 7 SD MET A 1 15.958 0.917 -17.581 1.00 0.00 S ATOM 8 CE MET A 1 15.730 2.684 -17.492 1.00 0.00 C ATOM 0 H1 MET A 1 13.615 -0.466 -13.691 1.00 0.00 H new ATOM 0 H2 MET A 1 12.033 0.095 -13.430 1.00 0.00 H new ATOM 0 H3 MET A 1 12.304 -1.248 -14.433 1.00 0.00 H new ATOM 0 HA MET A 1 13.181 1.516 -14.930 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.739 -1.146 -16.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.466 0.206 -17.297 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.194 1.269 -15.345 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.790 -0.363 -15.571 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.148 3.150 -18.384 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.666 2.911 -17.429 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.237 3.072 -16.609 1.00 0.00 H new ATOM 18 N ALA A 2 10.907 -0.300 -16.493 1.00 0.00 N ATOM 19 CA ALA A 2 9.618 -0.234 -17.162 1.00 0.00 C ATOM 20 C ALA A 2 8.662 -1.239 -16.516 1.00 0.00 C ATOM 21 O ALA A 2 7.504 -0.918 -16.254 1.00 0.00 O ATOM 22 CB ALA A 2 9.807 -0.487 -18.659 1.00 0.00 C ATOM 0 H ALA A 2 11.340 -1.224 -16.491 1.00 0.00 H new ATOM 0 HA ALA A 2 9.178 0.757 -17.052 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.841 -0.438 -19.161 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.471 0.270 -19.075 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.244 -1.474 -18.809 1.00 0.00 H new ATOM 28 N GLU A 3 9.182 -2.434 -16.279 1.00 0.00 N ATOM 29 CA GLU A 3 8.388 -3.487 -15.669 1.00 0.00 C ATOM 30 C GLU A 3 7.438 -2.899 -14.625 1.00 0.00 C ATOM 31 O GLU A 3 7.880 -2.311 -13.639 1.00 0.00 O ATOM 32 CB GLU A 3 9.286 -4.561 -15.051 1.00 0.00 C ATOM 33 CG GLU A 3 10.627 -3.970 -14.615 1.00 0.00 C ATOM 34 CD GLU A 3 11.257 -4.805 -13.498 1.00 0.00 C ATOM 35 OE1 GLU A 3 11.042 -4.516 -12.311 1.00 0.00 O ATOM 36 OE2 GLU A 3 11.993 -5.786 -13.899 1.00 0.00 O ATOM 0 H GLU A 3 10.143 -2.697 -16.498 1.00 0.00 H new ATOM 0 HA GLU A 3 7.791 -3.962 -16.447 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.785 -5.009 -14.192 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.454 -5.359 -15.774 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.304 -3.927 -15.468 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.483 -2.946 -14.271 1.00 0.00 H new ATOM 44 N ASP A 4 6.149 -3.077 -14.877 1.00 0.00 N ATOM 45 CA ASP A 4 5.132 -2.571 -13.970 1.00 0.00 C ATOM 46 C ASP A 4 3.891 -3.461 -14.054 1.00 0.00 C ATOM 47 O ASP A 4 2.796 -3.042 -13.683 1.00 0.00 O ATOM 48 CB ASP A 4 4.718 -1.146 -14.347 1.00 0.00 C ATOM 49 CG ASP A 4 5.147 -0.064 -13.354 1.00 0.00 C ATOM 50 OD1 ASP A 4 4.375 0.331 -12.467 1.00 0.00 O ATOM 51 OD2 ASP A 4 6.346 0.384 -13.519 1.00 0.00 O ATOM 0 H ASP A 4 5.786 -3.564 -15.696 1.00 0.00 H new ATOM 0 HA ASP A 4 5.548 -2.572 -12.963 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.138 -0.908 -15.324 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.633 -1.114 -14.450 1.00 0.00 H new ATOM 57 N GLU A 5 4.103 -4.673 -14.546 1.00 0.00 N ATOM 58 CA GLU A 5 3.016 -5.627 -14.683 1.00 0.00 C ATOM 59 C GLU A 5 3.025 -6.615 -13.515 1.00 0.00 C ATOM 60 O GLU A 5 2.303 -7.611 -13.534 1.00 0.00 O ATOM 61 CB GLU A 5 3.097 -6.360 -16.023 1.00 0.00 C ATOM 62 CG GLU A 5 1.913 -5.993 -16.922 1.00 0.00 C ATOM 63 CD GLU A 5 1.566 -7.143 -17.869 1.00 0.00 C ATOM 64 OE1 GLU A 5 1.500 -8.303 -17.437 1.00 0.00 O ATOM 65 OE2 GLU A 5 1.363 -6.797 -19.094 1.00 0.00 O ATOM 0 H GLU A 5 5.013 -5.016 -14.855 1.00 0.00 H new ATOM 0 HA GLU A 5 2.073 -5.080 -14.662 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.031 -6.106 -16.524 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.109 -7.437 -15.853 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.047 -5.750 -16.307 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.154 -5.101 -17.500 1.00 0.00 H new ATOM 73 N GLY A 6 3.852 -6.307 -12.527 1.00 0.00 N ATOM 74 CA GLY A 6 3.965 -7.155 -11.353 1.00 0.00 C ATOM 75 C GLY A 6 2.646 -7.201 -10.580 1.00 0.00 C ATOM 76 O GLY A 6 1.586 -7.417 -11.166 1.00 0.00 O ATOM 0 H GLY A 6 4.451 -5.481 -12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.249 -8.163 -11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.757 -6.781 -10.705 1.00 0.00 H new ATOM 80 N TYR A 7 2.753 -6.992 -9.276 1.00 0.00 N ATOM 81 CA TYR A 7 1.581 -7.007 -8.417 1.00 0.00 C ATOM 82 C TYR A 7 1.297 -5.613 -7.854 1.00 0.00 C ATOM 83 O TYR A 7 1.853 -5.230 -6.826 1.00 0.00 O ATOM 84 CB TYR A 7 1.918 -7.951 -7.261 1.00 0.00 C ATOM 85 CG TYR A 7 2.483 -9.302 -7.706 1.00 0.00 C ATOM 86 CD1 TYR A 7 1.993 -9.916 -8.840 1.00 0.00 C ATOM 87 CD2 TYR A 7 3.484 -9.906 -6.972 1.00 0.00 C ATOM 88 CE1 TYR A 7 2.526 -11.187 -9.259 1.00 0.00 C ATOM 89 CE2 TYR A 7 4.017 -11.177 -7.390 1.00 0.00 C ATOM 90 CZ TYR A 7 3.512 -11.754 -8.513 1.00 0.00 C ATOM 91 OH TYR A 7 4.014 -12.955 -8.908 1.00 0.00 O ATOM 0 H TYR A 7 3.633 -6.811 -8.793 1.00 0.00 H new ATOM 0 HA TYR A 7 0.700 -7.326 -8.974 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.641 -7.464 -6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.018 -8.122 -6.670 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.209 -9.444 -9.414 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.868 -9.425 -6.084 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.151 -11.678 -10.145 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.800 -11.661 -6.825 1.00 0.00 H new ATOM 0 HH TYR A 7 3.741 -13.136 -9.832 1.00 0.00 H new ATOM 101 N PRO A 8 0.408 -4.874 -8.571 1.00 0.00 N ATOM 102 CA PRO A 8 0.044 -3.530 -8.154 1.00 0.00 C ATOM 103 C PRO A 8 -0.904 -3.568 -6.953 1.00 0.00 C ATOM 104 O PRO A 8 -1.874 -4.324 -6.947 1.00 0.00 O ATOM 105 CB PRO A 8 -0.581 -2.894 -9.384 1.00 0.00 C ATOM 106 CG PRO A 8 -0.966 -4.043 -10.300 1.00 0.00 C ATOM 107 CD PRO A 8 -0.269 -5.295 -9.794 1.00 0.00 C ATOM 0 HA PRO A 8 0.900 -2.948 -7.812 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.454 -2.300 -9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.122 -2.222 -9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.047 -4.183 -10.304 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.669 -3.829 -11.327 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.984 -6.094 -9.596 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.441 -5.677 -10.528 1.00 0.00 H new ATOM 115 N ALA A 9 -0.589 -2.743 -5.966 1.00 0.00 N ATOM 116 CA ALA A 9 -1.400 -2.671 -4.762 1.00 0.00 C ATOM 117 C ALA A 9 -1.783 -1.214 -4.496 1.00 0.00 C ATOM 118 O ALA A 9 -0.918 -0.344 -4.425 1.00 0.00 O ATOM 119 CB ALA A 9 -0.635 -3.296 -3.594 1.00 0.00 C ATOM 0 H ALA A 9 0.217 -2.118 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.324 -3.236 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.243 -3.242 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.413 -4.339 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.297 -2.753 -3.437 1.00 0.00 H new ATOM 125 N GLU A 10 -3.082 -0.994 -4.357 1.00 0.00 N ATOM 126 CA GLU A 10 -3.591 0.343 -4.101 1.00 0.00 C ATOM 127 C GLU A 10 -3.814 0.547 -2.600 1.00 0.00 C ATOM 128 O GLU A 10 -4.268 -0.361 -1.907 1.00 0.00 O ATOM 129 CB GLU A 10 -4.879 0.599 -4.886 1.00 0.00 C ATOM 130 CG GLU A 10 -5.084 2.096 -5.130 1.00 0.00 C ATOM 131 CD GLU A 10 -6.515 2.517 -4.791 1.00 0.00 C ATOM 132 OE1 GLU A 10 -6.981 2.278 -3.667 1.00 0.00 O ATOM 133 OE2 GLU A 10 -7.148 3.114 -5.743 1.00 0.00 O ATOM 0 H GLU A 10 -3.797 -1.719 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.848 1.065 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.838 0.074 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.730 0.196 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.380 2.666 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.870 2.331 -6.173 1.00 0.00 H new ATOM 141 N VAL A 11 -3.483 1.746 -2.144 1.00 0.00 N ATOM 142 CA VAL A 11 -3.640 2.082 -0.738 1.00 0.00 C ATOM 143 C VAL A 11 -5.129 2.086 -0.384 1.00 0.00 C ATOM 144 O VAL A 11 -5.925 2.757 -1.040 1.00 0.00 O ATOM 145 CB VAL A 11 -2.950 3.412 -0.438 1.00 0.00 C ATOM 146 CG1 VAL A 11 -3.362 3.946 0.936 1.00 0.00 C ATOM 147 CG2 VAL A 11 -1.430 3.277 -0.540 1.00 0.00 C ATOM 0 H VAL A 11 -3.107 2.497 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.158 1.333 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.273 4.133 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.857 4.893 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.441 4.099 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.082 3.226 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.964 4.238 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.082 2.534 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.159 2.963 -1.548 1.00 0.00 H new ATOM 157 N ILE A 12 -5.461 1.331 0.652 1.00 0.00 N ATOM 158 CA ILE A 12 -6.839 1.239 1.102 1.00 0.00 C ATOM 159 C ILE A 12 -6.998 2.022 2.407 1.00 0.00 C ATOM 160 O ILE A 12 -8.057 2.591 2.668 1.00 0.00 O ATOM 161 CB ILE A 12 -7.272 -0.224 1.206 1.00 0.00 C ATOM 162 CG1 ILE A 12 -6.487 -0.952 2.299 1.00 0.00 C ATOM 163 CG2 ILE A 12 -7.159 -0.927 -0.148 1.00 0.00 C ATOM 164 CD1 ILE A 12 -7.352 -1.176 3.541 1.00 0.00 C ATOM 0 H ILE A 12 -4.798 0.776 1.194 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.509 1.694 0.373 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.323 -0.250 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.134 -1.911 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.605 -0.370 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.473 -1.966 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.799 -0.424 -0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.125 -0.892 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.769 -1.695 4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.684 -0.214 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.221 -1.779 3.276 1.00 0.00 H new ATOM 176 N GLU A 13 -5.930 2.027 3.191 1.00 0.00 N ATOM 177 CA GLU A 13 -5.938 2.730 4.462 1.00 0.00 C ATOM 178 C GLU A 13 -4.507 2.950 4.957 1.00 0.00 C ATOM 179 O GLU A 13 -3.646 2.089 4.778 1.00 0.00 O ATOM 180 CB GLU A 13 -6.768 1.975 5.502 1.00 0.00 C ATOM 181 CG GLU A 13 -6.741 2.694 6.853 1.00 0.00 C ATOM 182 CD GLU A 13 -8.044 2.466 7.621 1.00 0.00 C ATOM 183 OE1 GLU A 13 -9.008 1.923 7.060 1.00 0.00 O ATOM 184 OE2 GLU A 13 -8.034 2.873 8.845 1.00 0.00 O ATOM 0 H GLU A 13 -5.053 1.555 2.970 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.403 3.704 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.797 1.884 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.380 0.963 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.899 2.334 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.588 3.762 6.698 1.00 0.00 H new ATOM 192 N ILE A 14 -4.297 4.105 5.569 1.00 0.00 N ATOM 193 CA ILE A 14 -2.985 4.449 6.091 1.00 0.00 C ATOM 194 C ILE A 14 -2.943 4.151 7.591 1.00 0.00 C ATOM 195 O ILE A 14 -3.774 4.648 8.350 1.00 0.00 O ATOM 196 CB ILE A 14 -2.631 5.896 5.741 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.749 6.140 4.236 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.246 6.265 6.275 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.820 7.638 3.927 1.00 0.00 C ATOM 0 H ILE A 14 -5.014 4.816 5.716 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.216 3.835 5.622 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.350 6.552 6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.893 5.700 3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.640 5.643 3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.018 7.298 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.233 6.154 7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.498 5.606 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.903 7.784 2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.691 8.070 4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.917 8.128 4.290 1.00 0.00 H new ATOM 211 N ILE A 15 -1.968 3.340 7.974 1.00 0.00 N ATOM 212 CA ILE A 15 -1.806 2.969 9.370 1.00 0.00 C ATOM 213 C ILE A 15 -1.142 4.122 10.125 1.00 0.00 C ATOM 214 O ILE A 15 -1.751 4.724 11.008 1.00 0.00 O ATOM 215 CB ILE A 15 -1.055 1.642 9.488 1.00 0.00 C ATOM 216 CG1 ILE A 15 -1.794 0.525 8.749 1.00 0.00 C ATOM 217 CG2 ILE A 15 -0.799 1.287 10.954 1.00 0.00 C ATOM 218 CD1 ILE A 15 -0.819 -0.348 7.957 1.00 0.00 C ATOM 0 H ILE A 15 -1.281 2.929 7.341 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.777 2.800 9.835 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.083 1.756 9.008 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.339 -0.090 9.465 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.532 0.958 8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.264 0.339 11.011 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.200 2.070 11.419 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.750 1.198 11.478 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.371 -1.134 7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.293 0.266 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.098 -0.798 8.639 1.00 0.00 H new ATOM 230 N GLY A 16 0.100 4.395 9.750 1.00 0.00 N ATOM 231 CA GLY A 16 0.854 5.465 10.381 1.00 0.00 C ATOM 232 C GLY A 16 2.350 5.328 10.090 1.00 0.00 C ATOM 233 O GLY A 16 2.741 5.021 8.965 1.00 0.00 O ATOM 0 H GLY A 16 0.602 3.894 9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.496 6.429 10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.686 5.447 11.458 1.00 0.00 H new ATOM 237 N ARG A 17 3.145 5.559 11.124 1.00 0.00 N ATOM 238 CA ARG A 17 4.589 5.466 10.994 1.00 0.00 C ATOM 239 C ARG A 17 5.164 4.571 12.093 1.00 0.00 C ATOM 240 O ARG A 17 4.586 4.459 13.173 1.00 0.00 O ATOM 241 CB ARG A 17 5.241 6.847 11.077 1.00 0.00 C ATOM 242 CG ARG A 17 4.818 7.726 9.897 1.00 0.00 C ATOM 243 CD ARG A 17 5.826 8.853 9.664 1.00 0.00 C ATOM 244 NE ARG A 17 5.134 10.161 9.679 1.00 0.00 N ATOM 245 CZ ARG A 17 5.746 11.338 9.929 1.00 0.00 C ATOM 246 NH1 ARG A 17 7.071 11.379 10.189 1.00 0.00 N ATOM 247 NH2 ARG A 17 5.030 12.446 9.917 1.00 0.00 N ATOM 0 H ARG A 17 2.816 5.811 12.056 1.00 0.00 H new ATOM 0 HA ARG A 17 4.806 5.034 10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.961 7.330 12.013 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.326 6.741 11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.734 7.117 8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.832 8.149 10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.595 8.830 10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.330 8.710 8.708 1.00 0.00 H new ATOM 0 HE ARG A 17 4.132 10.174 9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.616 10.517 10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.526 12.272 10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.030 12.405 9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.477 13.344 10.104 1.00 0.00 H new ATOM 260 N THR A 18 6.295 3.956 11.780 1.00 0.00 N ATOM 261 CA THR A 18 6.955 3.075 12.728 1.00 0.00 C ATOM 262 C THR A 18 8.474 3.165 12.573 1.00 0.00 C ATOM 263 O THR A 18 9.141 2.156 12.350 1.00 0.00 O ATOM 264 CB THR A 18 6.407 1.661 12.520 1.00 0.00 C ATOM 265 OG1 THR A 18 7.232 0.844 13.346 1.00 0.00 O ATOM 266 CG2 THR A 18 6.660 1.137 11.105 1.00 0.00 C ATOM 0 H THR A 18 6.771 4.051 10.883 1.00 0.00 H new ATOM 0 HA THR A 18 6.746 3.373 13.755 1.00 0.00 H new ATOM 0 HB THR A 18 5.336 1.653 12.723 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.135 0.801 12.967 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.252 0.131 11.011 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.176 1.794 10.382 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.733 1.113 10.912 1.00 0.00 H new ATOM 274 N GLY A 19 8.978 4.384 12.698 1.00 0.00 N ATOM 275 CA GLY A 19 10.406 4.621 12.574 1.00 0.00 C ATOM 276 C GLY A 19 10.971 5.246 13.852 1.00 0.00 C ATOM 277 O GLY A 19 10.236 5.855 14.627 1.00 0.00 O ATOM 0 H GLY A 19 8.422 5.219 12.884 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.918 3.681 12.368 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.597 5.280 11.727 1.00 0.00 H new ATOM 281 N THR A 20 12.272 5.073 14.032 1.00 0.00 N ATOM 282 CA THR A 20 12.945 5.612 15.201 1.00 0.00 C ATOM 283 C THR A 20 12.479 7.045 15.471 1.00 0.00 C ATOM 284 O THR A 20 12.044 7.361 16.577 1.00 0.00 O ATOM 285 CB THR A 20 14.453 5.496 14.975 1.00 0.00 C ATOM 286 OG1 THR A 20 14.765 4.169 15.392 1.00 0.00 O ATOM 287 CG2 THR A 20 15.257 6.384 15.927 1.00 0.00 C ATOM 0 H THR A 20 12.878 4.567 13.387 1.00 0.00 H new ATOM 0 HA THR A 20 12.693 5.047 16.098 1.00 0.00 H new ATOM 0 HB THR A 20 14.688 5.762 13.944 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.725 4.007 15.278 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.321 6.264 15.725 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.974 7.426 15.778 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.049 6.095 16.957 1.00 0.00 H new ATOM 295 N THR A 21 12.586 7.871 14.441 1.00 0.00 N ATOM 296 CA THR A 21 12.182 9.262 14.553 1.00 0.00 C ATOM 297 C THR A 21 10.906 9.512 13.746 1.00 0.00 C ATOM 298 O THR A 21 10.217 10.509 13.962 1.00 0.00 O ATOM 299 CB THR A 21 13.360 10.134 14.112 1.00 0.00 C ATOM 300 OG1 THR A 21 14.183 10.217 15.274 1.00 0.00 O ATOM 301 CG2 THR A 21 12.948 11.582 13.843 1.00 0.00 C ATOM 0 H THR A 21 12.947 7.604 13.525 1.00 0.00 H new ATOM 0 HA THR A 21 11.935 9.521 15.583 1.00 0.00 H new ATOM 0 HB THR A 21 13.808 9.712 13.213 1.00 0.00 H new ATOM 0 HG1 THR A 21 14.972 10.764 15.077 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.821 12.157 13.533 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.198 11.606 13.052 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.531 12.016 14.752 1.00 0.00 H new ATOM 309 N GLY A 22 10.630 8.591 12.835 1.00 0.00 N ATOM 310 CA GLY A 22 9.449 8.701 11.996 1.00 0.00 C ATOM 311 C GLY A 22 9.834 8.822 10.520 1.00 0.00 C ATOM 312 O GLY A 22 9.344 9.705 9.817 1.00 0.00 O ATOM 0 H GLY A 22 11.203 7.766 12.659 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.814 7.827 12.139 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.865 9.571 12.296 1.00 0.00 H new ATOM 316 N ASP A 23 10.708 7.922 10.094 1.00 0.00 N ATOM 317 CA ASP A 23 11.166 7.917 8.715 1.00 0.00 C ATOM 318 C ASP A 23 10.378 6.870 7.925 1.00 0.00 C ATOM 319 O ASP A 23 10.095 7.062 6.743 1.00 0.00 O ATOM 320 CB ASP A 23 12.650 7.557 8.627 1.00 0.00 C ATOM 321 CG ASP A 23 13.603 8.595 9.223 1.00 0.00 C ATOM 322 OD1 ASP A 23 14.181 8.387 10.301 1.00 0.00 O ATOM 323 OD2 ASP A 23 13.744 9.670 8.525 1.00 0.00 O ATOM 0 H ASP A 23 11.111 7.191 10.680 1.00 0.00 H new ATOM 0 HA ASP A 23 11.013 8.916 8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.809 6.606 9.135 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.910 7.406 7.579 1.00 0.00 H new ATOM 329 N VAL A 24 10.046 5.785 8.609 1.00 0.00 N ATOM 330 CA VAL A 24 9.297 4.707 7.986 1.00 0.00 C ATOM 331 C VAL A 24 7.807 5.056 7.995 1.00 0.00 C ATOM 332 O VAL A 24 7.328 5.727 8.909 1.00 0.00 O ATOM 333 CB VAL A 24 9.604 3.383 8.687 1.00 0.00 C ATOM 334 CG1 VAL A 24 8.928 2.213 7.970 1.00 0.00 C ATOM 335 CG2 VAL A 24 11.113 3.159 8.800 1.00 0.00 C ATOM 0 H VAL A 24 10.282 5.629 9.589 1.00 0.00 H new ATOM 0 HA VAL A 24 9.597 4.586 6.945 1.00 0.00 H new ATOM 0 HB VAL A 24 9.197 3.437 9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.163 1.284 8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.848 2.364 7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.291 2.157 6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.303 2.211 9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.553 3.136 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.559 3.970 9.375 1.00 0.00 H new ATOM 345 N THR A 25 7.116 4.585 6.967 1.00 0.00 N ATOM 346 CA THR A 25 5.690 4.839 6.845 1.00 0.00 C ATOM 347 C THR A 25 4.955 3.565 6.424 1.00 0.00 C ATOM 348 O THR A 25 5.088 3.114 5.286 1.00 0.00 O ATOM 349 CB THR A 25 5.499 6.002 5.870 1.00 0.00 C ATOM 350 OG1 THR A 25 5.792 7.159 6.647 1.00 0.00 O ATOM 351 CG2 THR A 25 4.036 6.189 5.460 1.00 0.00 C ATOM 0 H THR A 25 7.517 4.029 6.211 1.00 0.00 H new ATOM 0 HA THR A 25 5.256 5.125 7.803 1.00 0.00 H new ATOM 0 HB THR A 25 6.106 5.833 4.981 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.694 7.960 6.091 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.956 7.027 4.768 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.675 5.282 4.975 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.433 6.391 6.345 1.00 0.00 H new ATOM 359 N GLN A 26 4.196 3.020 7.363 1.00 0.00 N ATOM 360 CA GLN A 26 3.440 1.806 7.102 1.00 0.00 C ATOM 361 C GLN A 26 2.027 2.152 6.630 1.00 0.00 C ATOM 362 O GLN A 26 1.382 3.038 7.188 1.00 0.00 O ATOM 363 CB GLN A 26 3.400 0.909 8.341 1.00 0.00 C ATOM 364 CG GLN A 26 3.800 -0.526 7.992 1.00 0.00 C ATOM 365 CD GLN A 26 4.514 -1.197 9.167 1.00 0.00 C ATOM 366 OE1 GLN A 26 5.731 -1.257 9.236 1.00 0.00 O ATOM 367 NE2 GLN A 26 3.692 -1.697 10.085 1.00 0.00 N ATOM 0 H GLN A 26 4.088 3.396 8.305 1.00 0.00 H new ATOM 0 HA GLN A 26 3.941 1.252 6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.074 1.303 9.102 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.397 0.917 8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.913 -1.100 7.725 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.452 -0.523 7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.683 -1.613 9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.071 -2.165 10.908 1.00 0.00 H new ATOM 376 N VAL A 27 1.588 1.434 5.605 1.00 0.00 N ATOM 377 CA VAL A 27 0.263 1.654 5.052 1.00 0.00 C ATOM 378 C VAL A 27 -0.276 0.337 4.492 1.00 0.00 C ATOM 379 O VAL A 27 0.495 -0.554 4.141 1.00 0.00 O ATOM 380 CB VAL A 27 0.311 2.773 4.008 1.00 0.00 C ATOM 381 CG1 VAL A 27 -0.918 2.727 3.098 1.00 0.00 C ATOM 382 CG2 VAL A 27 0.446 4.142 4.677 1.00 0.00 C ATOM 0 H VAL A 27 2.127 0.700 5.144 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.426 1.983 5.830 1.00 0.00 H new ATOM 0 HB VAL A 27 1.193 2.615 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.859 3.532 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.952 1.768 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.820 2.848 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.478 4.919 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.408 4.312 5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.365 4.172 5.263 1.00 0.00 H new ATOM 392 N LYS A 28 -1.597 0.255 4.425 1.00 0.00 N ATOM 393 CA LYS A 28 -2.249 -0.938 3.913 1.00 0.00 C ATOM 394 C LYS A 28 -2.580 -0.739 2.433 1.00 0.00 C ATOM 395 O LYS A 28 -3.067 0.320 2.039 1.00 0.00 O ATOM 396 CB LYS A 28 -3.463 -1.296 4.772 1.00 0.00 C ATOM 397 CG LYS A 28 -3.070 -2.237 5.913 1.00 0.00 C ATOM 398 CD LYS A 28 -4.192 -2.345 6.947 1.00 0.00 C ATOM 399 CE LYS A 28 -3.793 -3.275 8.095 1.00 0.00 C ATOM 400 NZ LYS A 28 -4.843 -4.292 8.327 1.00 0.00 N ATOM 0 H LYS A 28 -2.234 0.996 4.717 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.578 -1.795 3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.904 -0.387 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.225 -1.769 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.844 -3.225 5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.162 -1.872 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.425 -1.356 7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.097 -2.719 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.848 -3.766 7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.634 -2.694 9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.556 -4.915 9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.737 -3.819 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.975 -4.858 7.464 1.00 0.00 H new ATOM 413 N VAL A 29 -2.303 -1.773 1.652 1.00 0.00 N ATOM 414 CA VAL A 29 -2.566 -1.724 0.224 1.00 0.00 C ATOM 415 C VAL A 29 -3.206 -3.042 -0.217 1.00 0.00 C ATOM 416 O VAL A 29 -2.755 -4.118 0.173 1.00 0.00 O ATOM 417 CB VAL A 29 -1.277 -1.402 -0.535 1.00 0.00 C ATOM 418 CG1 VAL A 29 -0.639 -0.115 -0.010 1.00 0.00 C ATOM 419 CG2 VAL A 29 -0.292 -2.571 -0.462 1.00 0.00 C ATOM 0 H VAL A 29 -1.899 -2.650 1.981 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.271 -0.926 -0.008 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.535 -1.245 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.275 0.091 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.335 0.714 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.402 -0.232 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.616 -2.317 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.043 -2.773 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.746 -3.458 -0.905 1.00 0.00 H new ATOM 429 N ARG A 30 -4.249 -2.916 -1.025 1.00 0.00 N ATOM 430 CA ARG A 30 -4.956 -4.083 -1.524 1.00 0.00 C ATOM 431 C ARG A 30 -4.487 -4.422 -2.940 1.00 0.00 C ATOM 432 O ARG A 30 -4.096 -3.536 -3.698 1.00 0.00 O ATOM 433 CB ARG A 30 -6.468 -3.847 -1.538 1.00 0.00 C ATOM 434 CG ARG A 30 -7.195 -4.992 -2.244 1.00 0.00 C ATOM 435 CD ARG A 30 -8.712 -4.844 -2.110 1.00 0.00 C ATOM 436 NE ARG A 30 -9.343 -4.871 -3.449 1.00 0.00 N ATOM 437 CZ ARG A 30 -10.629 -4.535 -3.687 1.00 0.00 C ATOM 438 NH1 ARG A 30 -11.432 -4.143 -2.675 1.00 0.00 N ATOM 439 NH2 ARG A 30 -11.089 -4.595 -4.923 1.00 0.00 N ATOM 0 H ARG A 30 -4.621 -2.023 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.736 -4.915 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.835 -3.754 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.688 -2.906 -2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.919 -5.007 -3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.880 -5.945 -1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.111 -5.650 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.951 -3.908 -1.605 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.770 -5.162 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.068 -4.099 -1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.402 -3.891 -2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.475 -4.892 -5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.058 -4.344 -5.119 1.00 0.00 H new ATOM 452 N ILE A 31 -4.541 -5.708 -3.254 1.00 0.00 N ATOM 453 CA ILE A 31 -4.127 -6.177 -4.565 1.00 0.00 C ATOM 454 C ILE A 31 -5.203 -5.821 -5.593 1.00 0.00 C ATOM 455 O ILE A 31 -6.299 -6.379 -5.566 1.00 0.00 O ATOM 456 CB ILE A 31 -3.788 -7.668 -4.520 1.00 0.00 C ATOM 457 CG1 ILE A 31 -2.789 -7.970 -3.400 1.00 0.00 C ATOM 458 CG2 ILE A 31 -3.289 -8.159 -5.880 1.00 0.00 C ATOM 459 CD1 ILE A 31 -1.351 -7.757 -3.877 1.00 0.00 C ATOM 0 H ILE A 31 -4.866 -6.440 -2.622 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.210 -5.676 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.701 -8.219 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.991 -7.326 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.916 -8.999 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.055 -9.222 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.063 -8.000 -6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.393 -7.606 -6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.661 -7.978 -3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.145 -8.420 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.221 -6.721 -4.191 1.00 0.00 H new ATOM 471 N LEU A 32 -4.854 -4.895 -6.473 1.00 0.00 N ATOM 472 CA LEU A 32 -5.777 -4.460 -7.507 1.00 0.00 C ATOM 473 C LEU A 32 -6.075 -5.631 -8.445 1.00 0.00 C ATOM 474 O LEU A 32 -7.224 -5.852 -8.823 1.00 0.00 O ATOM 475 CB LEU A 32 -5.234 -3.221 -8.222 1.00 0.00 C ATOM 476 CG LEU A 32 -5.935 -1.899 -7.901 1.00 0.00 C ATOM 477 CD1 LEU A 32 -5.133 -0.710 -8.431 1.00 0.00 C ATOM 478 CD2 LEU A 32 -7.373 -1.900 -8.424 1.00 0.00 C ATOM 0 H LEU A 32 -3.945 -4.434 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.727 -4.155 -7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.177 -3.118 -7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.296 -3.390 -9.297 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.987 -1.794 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.654 0.217 -8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.146 -0.702 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.027 -0.795 -9.513 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.849 -0.949 -8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.367 -2.039 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.929 -2.713 -7.957 1.00 0.00 H new ATOM 490 N GLU A 33 -5.019 -6.350 -8.795 1.00 0.00 N ATOM 491 CA GLU A 33 -5.153 -7.493 -9.682 1.00 0.00 C ATOM 492 C GLU A 33 -3.976 -8.452 -9.494 1.00 0.00 C ATOM 493 O GLU A 33 -2.985 -8.106 -8.853 1.00 0.00 O ATOM 494 CB GLU A 33 -5.267 -7.045 -11.141 1.00 0.00 C ATOM 495 CG GLU A 33 -6.496 -7.665 -11.810 1.00 0.00 C ATOM 496 CD GLU A 33 -7.575 -6.609 -12.057 1.00 0.00 C ATOM 497 OE1 GLU A 33 -8.571 -6.555 -11.320 1.00 0.00 O ATOM 498 OE2 GLU A 33 -7.353 -5.825 -13.058 1.00 0.00 O ATOM 0 H GLU A 33 -4.067 -6.163 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.071 -8.021 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.333 -5.958 -11.187 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.368 -7.334 -11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.207 -8.124 -12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.896 -8.459 -11.180 1.00 0.00 H new ATOM 506 N GLY A 34 -4.123 -9.638 -10.064 1.00 0.00 N ATOM 507 CA GLY A 34 -3.084 -10.650 -9.968 1.00 0.00 C ATOM 508 C GLY A 34 -3.689 -12.039 -9.751 1.00 0.00 C ATOM 509 O GLY A 34 -4.550 -12.472 -10.517 1.00 0.00 O ATOM 0 H GLY A 34 -4.947 -9.922 -10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.485 -10.649 -10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.412 -10.409 -9.144 1.00 0.00 H new ATOM 513 N ARG A 35 -3.218 -12.698 -8.703 1.00 0.00 N ATOM 514 CA ARG A 35 -3.701 -14.029 -8.376 1.00 0.00 C ATOM 515 C ARG A 35 -4.826 -13.945 -7.342 1.00 0.00 C ATOM 516 O ARG A 35 -5.815 -14.670 -7.436 1.00 0.00 O ATOM 517 CB ARG A 35 -2.575 -14.904 -7.823 1.00 0.00 C ATOM 518 CG ARG A 35 -2.292 -16.085 -8.752 1.00 0.00 C ATOM 519 CD ARG A 35 -0.810 -16.143 -9.132 1.00 0.00 C ATOM 520 NE ARG A 35 -0.661 -16.648 -10.515 1.00 0.00 N ATOM 521 CZ ARG A 35 -0.955 -17.910 -10.896 1.00 0.00 C ATOM 522 NH1 ARG A 35 -1.417 -18.806 -9.999 1.00 0.00 N ATOM 523 NH2 ARG A 35 -0.783 -18.253 -12.159 1.00 0.00 N ATOM 0 H ARG A 35 -2.506 -12.335 -8.069 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.078 -14.480 -9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.671 -14.307 -7.703 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.848 -15.272 -6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.582 -17.015 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.899 -15.997 -9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.366 -15.151 -9.049 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.274 -16.792 -8.439 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.315 -16.003 -11.225 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.547 -18.532 -9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.637 -19.757 -10.295 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.433 -17.569 -12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.000 -19.202 -12.464 1.00 0.00 H new ATOM 536 N ASP A 36 -4.637 -13.054 -6.380 1.00 0.00 N ATOM 537 CA ASP A 36 -5.625 -12.866 -5.331 1.00 0.00 C ATOM 538 C ASP A 36 -6.601 -11.763 -5.745 1.00 0.00 C ATOM 539 O ASP A 36 -7.802 -11.869 -5.504 1.00 0.00 O ATOM 540 CB ASP A 36 -4.960 -12.441 -4.019 1.00 0.00 C ATOM 541 CG ASP A 36 -5.255 -13.345 -2.822 1.00 0.00 C ATOM 542 OD1 ASP A 36 -4.357 -14.017 -2.292 1.00 0.00 O ATOM 543 OD2 ASP A 36 -6.483 -13.346 -2.427 1.00 0.00 O ATOM 0 H ASP A 36 -3.815 -12.455 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.144 -13.813 -5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.881 -12.405 -4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.282 -11.428 -3.778 1.00 0.00 H new ATOM 549 N LYS A 37 -6.047 -10.729 -6.362 1.00 0.00 N ATOM 550 CA LYS A 37 -6.855 -9.608 -6.813 1.00 0.00 C ATOM 551 C LYS A 37 -7.955 -9.332 -5.787 1.00 0.00 C ATOM 552 O LYS A 37 -9.058 -9.867 -5.894 1.00 0.00 O ATOM 553 CB LYS A 37 -7.381 -9.860 -8.227 1.00 0.00 C ATOM 554 CG LYS A 37 -8.405 -8.798 -8.629 1.00 0.00 C ATOM 555 CD LYS A 37 -9.775 -9.427 -8.892 1.00 0.00 C ATOM 556 CE LYS A 37 -10.902 -8.461 -8.524 1.00 0.00 C ATOM 557 NZ LYS A 37 -12.027 -9.192 -7.898 1.00 0.00 N ATOM 0 H LYS A 37 -5.050 -10.644 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.249 -8.705 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.551 -9.856 -8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.838 -10.848 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.489 -8.052 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.062 -8.278 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.857 -9.703 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.875 -10.345 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.528 -7.701 -7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.250 -7.942 -9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.784 -8.522 -7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.394 -9.901 -8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.695 -9.668 -7.035 1.00 0.00 H new ATOM 570 N GLY A 38 -7.619 -8.496 -4.815 1.00 0.00 N ATOM 571 CA GLY A 38 -8.565 -8.143 -3.770 1.00 0.00 C ATOM 572 C GLY A 38 -8.076 -8.625 -2.403 1.00 0.00 C ATOM 573 O GLY A 38 -8.875 -9.054 -1.571 1.00 0.00 O ATOM 0 H GLY A 38 -6.704 -8.053 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.704 -7.062 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.537 -8.585 -3.989 1.00 0.00 H new ATOM 577 N ARG A 39 -6.768 -8.537 -2.213 1.00 0.00 N ATOM 578 CA ARG A 39 -6.165 -8.958 -0.960 1.00 0.00 C ATOM 579 C ARG A 39 -5.498 -7.769 -0.265 1.00 0.00 C ATOM 580 O ARG A 39 -4.564 -7.175 -0.802 1.00 0.00 O ATOM 581 CB ARG A 39 -5.122 -10.054 -1.192 1.00 0.00 C ATOM 582 CG ARG A 39 -4.741 -10.736 0.124 1.00 0.00 C ATOM 583 CD ARG A 39 -3.320 -11.298 0.059 1.00 0.00 C ATOM 584 NE ARG A 39 -2.789 -11.492 1.426 1.00 0.00 N ATOM 585 CZ ARG A 39 -3.239 -12.431 2.286 1.00 0.00 C ATOM 586 NH1 ARG A 39 -4.232 -13.271 1.925 1.00 0.00 N ATOM 587 NH2 ARG A 39 -2.692 -12.515 3.485 1.00 0.00 N ATOM 0 H ARG A 39 -6.109 -8.181 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.959 -9.355 -0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.516 -10.794 -1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.233 -9.623 -1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.816 -10.021 0.943 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.445 -11.541 0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.320 -12.247 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.676 -10.617 -0.497 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.036 -10.879 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.648 -13.199 0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.566 -13.977 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.942 -11.876 3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.020 -13.218 4.147 1.00 0.00 H new ATOM 600 N VAL A 40 -6.004 -7.456 0.918 1.00 0.00 N ATOM 601 CA VAL A 40 -5.470 -6.348 1.692 1.00 0.00 C ATOM 602 C VAL A 40 -4.173 -6.789 2.377 1.00 0.00 C ATOM 603 O VAL A 40 -4.096 -7.890 2.919 1.00 0.00 O ATOM 604 CB VAL A 40 -6.524 -5.842 2.678 1.00 0.00 C ATOM 605 CG1 VAL A 40 -6.625 -6.764 3.895 1.00 0.00 C ATOM 606 CG2 VAL A 40 -6.229 -4.402 3.104 1.00 0.00 C ATOM 0 H VAL A 40 -6.779 -7.951 1.360 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.225 -5.509 1.040 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.489 -5.851 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.382 -6.381 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.904 -7.766 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.662 -6.802 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.993 -4.066 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.251 -4.358 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.232 -3.755 2.227 1.00 0.00 H new ATOM 616 N ILE A 41 -3.187 -5.905 2.330 1.00 0.00 N ATOM 617 CA ILE A 41 -1.899 -6.189 2.938 1.00 0.00 C ATOM 618 C ILE A 41 -1.373 -4.925 3.621 1.00 0.00 C ATOM 619 O ILE A 41 -2.005 -3.872 3.557 1.00 0.00 O ATOM 620 CB ILE A 41 -0.935 -6.774 1.904 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.525 -5.718 0.876 1.00 0.00 C ATOM 622 CG2 ILE A 41 -1.532 -8.017 1.241 1.00 0.00 C ATOM 623 CD1 ILE A 41 0.892 -5.977 0.360 1.00 0.00 C ATOM 0 H ILE A 41 -3.255 -4.992 1.880 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.003 -6.951 3.710 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.028 -7.088 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.227 -5.725 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.576 -4.727 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.827 -8.414 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.732 -8.773 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.463 -7.751 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.159 -5.212 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.594 -5.945 1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.934 -6.959 -0.112 1.00 0.00 H new ATOM 635 N ARG A 42 -0.223 -5.071 4.260 1.00 0.00 N ATOM 636 CA ARG A 42 0.395 -3.955 4.955 1.00 0.00 C ATOM 637 C ARG A 42 1.853 -3.798 4.518 1.00 0.00 C ATOM 638 O ARG A 42 2.717 -4.566 4.938 1.00 0.00 O ATOM 639 CB ARG A 42 0.344 -4.152 6.472 1.00 0.00 C ATOM 640 CG ARG A 42 1.031 -2.995 7.199 1.00 0.00 C ATOM 641 CD ARG A 42 0.729 -3.034 8.699 1.00 0.00 C ATOM 642 NE ARG A 42 1.666 -3.955 9.380 1.00 0.00 N ATOM 643 CZ ARG A 42 1.624 -4.238 10.700 1.00 0.00 C ATOM 644 NH1 ARG A 42 0.689 -3.672 11.492 1.00 0.00 N ATOM 645 NH2 ARG A 42 2.510 -5.077 11.203 1.00 0.00 N ATOM 0 H ARG A 42 0.298 -5.946 4.311 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.164 -3.056 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.694 -4.226 6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.829 -5.092 6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.108 -3.049 7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.694 -2.047 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.817 -2.033 9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.298 -3.360 8.863 1.00 0.00 H new ATOM 0 HE ARG A 42 2.389 -4.404 8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.008 -3.025 11.095 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.664 -3.891 12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.212 -5.501 10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.492 -5.302 12.198 1.00 0.00 H new ATOM 658 N ARG A 43 2.082 -2.797 3.680 1.00 0.00 N ATOM 659 CA ARG A 43 3.420 -2.530 3.181 1.00 0.00 C ATOM 660 C ARG A 43 4.059 -1.381 3.964 1.00 0.00 C ATOM 661 O ARG A 43 3.398 -0.390 4.268 1.00 0.00 O ATOM 662 CB ARG A 43 3.392 -2.172 1.694 1.00 0.00 C ATOM 663 CG ARG A 43 4.242 -3.149 0.878 1.00 0.00 C ATOM 664 CD ARG A 43 5.674 -2.632 0.722 1.00 0.00 C ATOM 665 NE ARG A 43 5.786 -1.814 -0.505 1.00 0.00 N ATOM 666 CZ ARG A 43 6.946 -1.581 -1.156 1.00 0.00 C ATOM 667 NH1 ARG A 43 8.105 -2.103 -0.700 1.00 0.00 N ATOM 668 NH2 ARG A 43 6.930 -0.835 -2.245 1.00 0.00 N ATOM 0 H ARG A 43 1.363 -2.161 3.334 1.00 0.00 H new ATOM 0 HA ARG A 43 4.010 -3.437 3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.364 -2.189 1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.763 -1.157 1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.254 -4.123 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.794 -3.293 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.951 -2.037 1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.369 -3.470 0.675 1.00 0.00 H new ATOM 0 HE ARG A 43 4.934 -1.400 -0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.109 -2.678 0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.977 -1.922 -1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.050 -0.444 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.797 -0.649 -2.749 1.00 0.00 H new ATOM 681 N ASN A 44 5.337 -1.552 4.266 1.00 0.00 N ATOM 682 CA ASN A 44 6.072 -0.542 5.008 1.00 0.00 C ATOM 683 C ASN A 44 7.138 0.075 4.100 1.00 0.00 C ATOM 684 O ASN A 44 8.017 -0.626 3.602 1.00 0.00 O ATOM 685 CB ASN A 44 6.780 -1.153 6.219 1.00 0.00 C ATOM 686 CG ASN A 44 7.948 -2.039 5.783 1.00 0.00 C ATOM 687 OD1 ASN A 44 9.079 -1.600 5.653 1.00 0.00 O ATOM 688 ND2 ASN A 44 7.613 -3.307 5.564 1.00 0.00 N ATOM 0 H ASN A 44 5.883 -2.375 4.010 1.00 0.00 H new ATOM 0 HA ASN A 44 5.361 0.211 5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.145 -0.359 6.870 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.070 -1.741 6.801 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.322 -3.978 5.268 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.647 -3.609 5.692 1.00 0.00 H new ATOM 695 N VAL A 45 7.025 1.383 3.913 1.00 0.00 N ATOM 696 CA VAL A 45 7.968 2.102 3.073 1.00 0.00 C ATOM 697 C VAL A 45 8.201 3.497 3.656 1.00 0.00 C ATOM 698 O VAL A 45 7.322 4.054 4.313 1.00 0.00 O ATOM 699 CB VAL A 45 7.465 2.134 1.629 1.00 0.00 C ATOM 700 CG1 VAL A 45 8.322 3.065 0.770 1.00 0.00 C ATOM 701 CG2 VAL A 45 7.419 0.725 1.034 1.00 0.00 C ATOM 0 H VAL A 45 6.296 1.962 4.329 1.00 0.00 H new ATOM 0 HA VAL A 45 8.931 1.591 3.056 1.00 0.00 H new ATOM 0 HB VAL A 45 6.449 2.528 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.943 3.069 -0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.281 4.076 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.354 2.715 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.058 0.775 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.419 0.292 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.747 0.102 1.625 1.00 0.00 H new ATOM 711 N ARG A 46 9.389 4.022 3.395 1.00 0.00 N ATOM 712 CA ARG A 46 9.748 5.342 3.885 1.00 0.00 C ATOM 713 C ARG A 46 9.219 6.423 2.939 1.00 0.00 C ATOM 714 O ARG A 46 9.475 6.379 1.737 1.00 0.00 O ATOM 715 CB ARG A 46 11.265 5.487 4.017 1.00 0.00 C ATOM 716 CG ARG A 46 11.908 4.165 4.443 1.00 0.00 C ATOM 717 CD ARG A 46 13.349 4.382 4.908 1.00 0.00 C ATOM 718 NE ARG A 46 13.759 3.286 5.814 1.00 0.00 N ATOM 719 CZ ARG A 46 15.028 3.075 6.222 1.00 0.00 C ATOM 720 NH1 ARG A 46 16.024 3.886 5.807 1.00 0.00 N ATOM 721 NH2 ARG A 46 15.281 2.065 7.032 1.00 0.00 N ATOM 0 H ARG A 46 10.115 3.557 2.850 1.00 0.00 H new ATOM 0 HA ARG A 46 9.296 5.464 4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.687 5.811 3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.498 6.261 4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.326 3.716 5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.893 3.463 3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.016 4.421 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.434 5.340 5.421 1.00 0.00 H new ATOM 0 HE ARG A 46 13.037 2.650 6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.820 4.665 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.981 3.720 6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.523 1.457 7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.235 1.892 7.349 1.00 0.00 H new ATOM 734 N GLY A 47 8.491 7.366 3.517 1.00 0.00 N ATOM 735 CA GLY A 47 7.924 8.455 2.741 1.00 0.00 C ATOM 736 C GLY A 47 6.405 8.522 2.918 1.00 0.00 C ATOM 737 O GLY A 47 5.782 7.547 3.333 1.00 0.00 O ATOM 0 H GLY A 47 8.280 7.399 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.372 9.399 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.165 8.319 1.687 1.00 0.00 H new ATOM 741 N PRO A 48 5.840 9.713 2.585 1.00 0.00 N ATOM 742 CA PRO A 48 4.406 9.920 2.702 1.00 0.00 C ATOM 743 C PRO A 48 3.655 9.209 1.574 1.00 0.00 C ATOM 744 O PRO A 48 4.272 8.594 0.705 1.00 0.00 O ATOM 745 CB PRO A 48 4.224 11.429 2.678 1.00 0.00 C ATOM 746 CG PRO A 48 5.504 11.995 2.084 1.00 0.00 C ATOM 747 CD PRO A 48 6.548 10.890 2.090 1.00 0.00 C ATOM 0 HA PRO A 48 3.993 9.496 3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.358 11.708 2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.054 11.818 3.682 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.329 12.350 1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.849 12.850 2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.950 10.719 1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.390 11.145 2.733 1.00 0.00 H new ATOM 755 N VAL A 49 2.337 9.318 1.625 1.00 0.00 N ATOM 756 CA VAL A 49 1.495 8.693 0.618 1.00 0.00 C ATOM 757 C VAL A 49 0.068 9.231 0.746 1.00 0.00 C ATOM 758 O VAL A 49 -0.210 10.062 1.609 1.00 0.00 O ATOM 759 CB VAL A 49 1.574 7.170 0.742 1.00 0.00 C ATOM 760 CG1 VAL A 49 0.609 6.658 1.814 1.00 0.00 C ATOM 761 CG2 VAL A 49 1.306 6.495 -0.604 1.00 0.00 C ATOM 0 H VAL A 49 1.830 9.830 2.347 1.00 0.00 H new ATOM 0 HA VAL A 49 1.847 8.943 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 49 2.587 6.911 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.684 5.573 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.866 7.101 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.411 6.935 1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.368 5.413 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.310 6.765 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.048 6.825 -1.331 1.00 0.00 H new ATOM 771 N ARG A 50 -0.797 8.735 -0.125 1.00 0.00 N ATOM 772 CA ARG A 50 -2.188 9.155 -0.120 1.00 0.00 C ATOM 773 C ARG A 50 -3.069 8.082 -0.764 1.00 0.00 C ATOM 774 O ARG A 50 -2.656 7.427 -1.719 1.00 0.00 O ATOM 775 CB ARG A 50 -2.368 10.473 -0.875 1.00 0.00 C ATOM 776 CG ARG A 50 -1.805 11.647 -0.070 1.00 0.00 C ATOM 777 CD ARG A 50 -2.493 11.757 1.292 1.00 0.00 C ATOM 778 NE ARG A 50 -2.996 13.133 1.496 1.00 0.00 N ATOM 779 CZ ARG A 50 -4.107 13.628 0.909 1.00 0.00 C ATOM 780 NH1 ARG A 50 -4.842 12.859 0.076 1.00 0.00 N ATOM 781 NH2 ARG A 50 -4.465 14.873 1.163 1.00 0.00 N ATOM 0 H ARG A 50 -0.562 8.046 -0.839 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.487 9.300 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.865 10.415 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.426 10.640 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.732 11.515 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.943 12.574 -0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.318 11.047 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.792 11.496 2.085 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.471 13.746 2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.559 11.897 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.680 13.240 -0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.905 15.446 1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.301 15.262 0.728 1.00 0.00 H new ATOM 794 N VAL A 51 -4.266 7.938 -0.215 1.00 0.00 N ATOM 795 CA VAL A 51 -5.209 6.955 -0.724 1.00 0.00 C ATOM 796 C VAL A 51 -5.278 7.065 -2.249 1.00 0.00 C ATOM 797 O VAL A 51 -5.461 8.154 -2.789 1.00 0.00 O ATOM 798 CB VAL A 51 -6.570 7.138 -0.049 1.00 0.00 C ATOM 799 CG1 VAL A 51 -7.052 8.586 -0.169 1.00 0.00 C ATOM 800 CG2 VAL A 51 -7.602 6.167 -0.626 1.00 0.00 C ATOM 0 H VAL A 51 -4.605 8.485 0.577 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.876 5.945 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.452 6.912 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.021 8.688 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.333 9.250 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.146 8.852 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.561 6.317 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.715 6.349 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.267 5.142 -0.465 1.00 0.00 H new ATOM 810 N GLY A 52 -5.129 5.920 -2.899 1.00 0.00 N ATOM 811 CA GLY A 52 -5.172 5.873 -4.351 1.00 0.00 C ATOM 812 C GLY A 52 -3.820 5.449 -4.927 1.00 0.00 C ATOM 813 O GLY A 52 -3.753 4.904 -6.027 1.00 0.00 O ATOM 0 H GLY A 52 -4.978 5.018 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.944 5.174 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.447 6.853 -4.742 1.00 0.00 H new ATOM 817 N ASP A 53 -2.775 5.716 -4.157 1.00 0.00 N ATOM 818 CA ASP A 53 -1.428 5.368 -4.576 1.00 0.00 C ATOM 819 C ASP A 53 -1.371 3.877 -4.910 1.00 0.00 C ATOM 820 O ASP A 53 -2.072 3.073 -4.297 1.00 0.00 O ATOM 821 CB ASP A 53 -0.416 5.643 -3.462 1.00 0.00 C ATOM 822 CG ASP A 53 0.913 6.239 -3.928 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.899 5.517 -4.137 1.00 0.00 O ATOM 824 OD2 ASP A 53 0.913 7.521 -4.076 1.00 0.00 O ATOM 0 H ASP A 53 -2.834 6.169 -3.245 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.179 5.975 -5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.869 6.323 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.214 4.709 -2.937 1.00 0.00 H new ATOM 830 N ILE A 54 -0.530 3.553 -5.880 1.00 0.00 N ATOM 831 CA ILE A 54 -0.372 2.171 -6.303 1.00 0.00 C ATOM 832 C ILE A 54 1.118 1.825 -6.357 1.00 0.00 C ATOM 833 O ILE A 54 1.929 2.630 -6.812 1.00 0.00 O ATOM 834 CB ILE A 54 -1.108 1.927 -7.622 1.00 0.00 C ATOM 835 CG1 ILE A 54 -2.603 2.222 -7.479 1.00 0.00 C ATOM 836 CG2 ILE A 54 -0.850 0.510 -8.140 1.00 0.00 C ATOM 837 CD1 ILE A 54 -3.315 2.112 -8.828 1.00 0.00 C ATOM 0 H ILE A 54 0.050 4.223 -6.386 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.830 1.497 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.713 2.619 -8.366 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.049 1.524 -6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.742 3.223 -7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.385 0.363 -9.078 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.218 0.372 -8.306 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.200 -0.215 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.376 2.326 -8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.883 2.828 -9.527 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.194 1.103 -9.222 1.00 0.00 H new ATOM 849 N LEU A 55 1.432 0.628 -5.885 1.00 0.00 N ATOM 850 CA LEU A 55 2.810 0.166 -5.875 1.00 0.00 C ATOM 851 C LEU A 55 2.859 -1.291 -6.339 1.00 0.00 C ATOM 852 O LEU A 55 2.026 -2.103 -5.937 1.00 0.00 O ATOM 853 CB LEU A 55 3.441 0.395 -4.499 1.00 0.00 C ATOM 854 CG LEU A 55 3.614 1.855 -4.076 1.00 0.00 C ATOM 855 CD1 LEU A 55 2.719 2.189 -2.880 1.00 0.00 C ATOM 856 CD2 LEU A 55 5.085 2.174 -3.797 1.00 0.00 C ATOM 0 H LEU A 55 0.756 -0.036 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 55 3.411 0.744 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.828 -0.109 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.419 -0.085 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 55 3.297 2.490 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.861 3.233 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.676 2.025 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.982 1.548 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.181 3.218 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.451 1.532 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.672 1.999 -4.698 1.00 0.00 H new ATOM 868 N ILE A 56 3.843 -1.578 -7.178 1.00 0.00 N ATOM 869 CA ILE A 56 4.011 -2.923 -7.702 1.00 0.00 C ATOM 870 C ILE A 56 5.059 -3.662 -6.868 1.00 0.00 C ATOM 871 O ILE A 56 5.044 -3.593 -5.640 1.00 0.00 O ATOM 872 CB ILE A 56 4.334 -2.880 -9.197 1.00 0.00 C ATOM 873 CG1 ILE A 56 3.608 -1.720 -9.881 1.00 0.00 C ATOM 874 CG2 ILE A 56 4.025 -4.222 -9.863 1.00 0.00 C ATOM 875 CD1 ILE A 56 3.149 -2.113 -11.287 1.00 0.00 C ATOM 0 H ILE A 56 4.532 -0.902 -7.508 1.00 0.00 H new ATOM 0 HA ILE A 56 3.080 -3.484 -7.617 1.00 0.00 H new ATOM 0 HB ILE A 56 5.403 -2.703 -9.311 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.746 -1.422 -9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.270 -0.856 -9.939 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.263 -4.165 -10.925 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.624 -5.005 -9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.967 -4.454 -9.741 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.636 -1.271 -11.751 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.015 -2.387 -11.889 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.468 -2.962 -11.224 1.00 0.00 H new ATOM 887 N LEU A 57 5.946 -4.355 -7.568 1.00 0.00 N ATOM 888 CA LEU A 57 7.000 -5.106 -6.908 1.00 0.00 C ATOM 889 C LEU A 57 6.488 -6.510 -6.577 1.00 0.00 C ATOM 890 O LEU A 57 5.337 -6.676 -6.177 1.00 0.00 O ATOM 891 CB LEU A 57 7.523 -4.339 -5.691 1.00 0.00 C ATOM 892 CG LEU A 57 7.084 -4.868 -4.325 1.00 0.00 C ATOM 893 CD1 LEU A 57 8.198 -5.687 -3.670 1.00 0.00 C ATOM 894 CD2 LEU A 57 6.604 -3.728 -3.424 1.00 0.00 C ATOM 0 H LEU A 57 5.956 -4.412 -8.586 1.00 0.00 H new ATOM 0 HA LEU A 57 7.856 -5.226 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.612 -4.341 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.203 -3.300 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 57 6.238 -5.538 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.860 -6.051 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.450 -6.534 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.079 -5.060 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.298 -4.131 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.414 -3.014 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.758 -3.226 -3.892 1.00 0.00 H new ATOM 906 N ARG A 58 7.369 -7.483 -6.756 1.00 0.00 N ATOM 907 CA ARG A 58 7.021 -8.867 -6.481 1.00 0.00 C ATOM 908 C ARG A 58 7.434 -9.245 -5.058 1.00 0.00 C ATOM 909 O ARG A 58 6.698 -9.942 -4.358 1.00 0.00 O ATOM 910 CB ARG A 58 7.702 -9.813 -7.472 1.00 0.00 C ATOM 911 CG ARG A 58 6.797 -10.098 -8.670 1.00 0.00 C ATOM 912 CD ARG A 58 7.000 -11.525 -9.185 1.00 0.00 C ATOM 913 NE ARG A 58 6.436 -11.657 -10.547 1.00 0.00 N ATOM 914 CZ ARG A 58 6.295 -12.831 -11.196 1.00 0.00 C ATOM 915 NH1 ARG A 58 6.675 -13.988 -10.613 1.00 0.00 N ATOM 916 NH2 ARG A 58 5.779 -12.833 -12.412 1.00 0.00 N ATOM 0 H ARG A 58 8.323 -7.341 -7.088 1.00 0.00 H new ATOM 0 HA ARG A 58 5.941 -8.965 -6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.638 -9.373 -7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.954 -10.748 -6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.755 -9.956 -8.385 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.009 -9.386 -9.468 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.062 -11.768 -9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.518 -12.235 -8.513 1.00 0.00 H new ATOM 0 HE ARG A 58 6.135 -10.807 -11.025 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.073 -13.979 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.564 -14.871 -11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.494 -11.955 -12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.666 -13.712 -12.916 1.00 0.00 H new ATOM 929 N GLU A 59 8.608 -8.770 -4.670 1.00 0.00 N ATOM 930 CA GLU A 59 9.127 -9.050 -3.342 1.00 0.00 C ATOM 931 C GLU A 59 7.997 -9.016 -2.312 1.00 0.00 C ATOM 932 O GLU A 59 8.058 -9.704 -1.294 1.00 0.00 O ATOM 933 CB GLU A 59 10.238 -8.067 -2.970 1.00 0.00 C ATOM 934 CG GLU A 59 11.077 -8.601 -1.807 1.00 0.00 C ATOM 935 CD GLU A 59 10.442 -8.240 -0.462 1.00 0.00 C ATOM 936 OE1 GLU A 59 9.844 -7.163 -0.328 1.00 0.00 O ATOM 937 OE2 GLU A 59 10.588 -9.126 0.465 1.00 0.00 O ATOM 0 H GLU A 59 9.215 -8.193 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 59 9.558 -10.051 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.878 -7.892 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.802 -7.106 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.172 -9.684 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.084 -8.188 -1.860 1.00 0.00 H new ATOM 945 N THR A 60 6.991 -8.206 -2.610 1.00 0.00 N ATOM 946 CA THR A 60 5.848 -8.073 -1.724 1.00 0.00 C ATOM 947 C THR A 60 4.871 -9.231 -1.935 1.00 0.00 C ATOM 948 O THR A 60 3.670 -9.014 -2.092 1.00 0.00 O ATOM 949 CB THR A 60 5.222 -6.698 -1.962 1.00 0.00 C ATOM 950 OG1 THR A 60 4.348 -6.517 -0.851 1.00 0.00 O ATOM 951 CG2 THR A 60 4.290 -6.682 -3.175 1.00 0.00 C ATOM 0 H THR A 60 6.945 -7.635 -3.454 1.00 0.00 H new ATOM 0 HA THR A 60 6.150 -8.131 -0.678 1.00 0.00 H new ATOM 0 HB THR A 60 6.011 -5.959 -2.100 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.677 -7.231 -0.843 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.872 -5.683 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.851 -6.955 -4.069 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.482 -7.397 -3.022 1.00 0.00 H new ATOM 959 N GLU A 61 5.421 -10.436 -1.933 1.00 0.00 N ATOM 960 CA GLU A 61 4.613 -11.629 -2.123 1.00 0.00 C ATOM 961 C GLU A 61 4.135 -12.166 -0.773 1.00 0.00 C ATOM 962 O GLU A 61 3.097 -12.822 -0.694 1.00 0.00 O ATOM 963 CB GLU A 61 5.387 -12.699 -2.896 1.00 0.00 C ATOM 964 CG GLU A 61 5.184 -12.538 -4.404 1.00 0.00 C ATOM 965 CD GLU A 61 5.087 -13.902 -5.091 1.00 0.00 C ATOM 966 OE1 GLU A 61 6.013 -14.299 -5.815 1.00 0.00 O ATOM 967 OE2 GLU A 61 4.002 -14.558 -4.851 1.00 0.00 O ATOM 0 H GLU A 61 6.417 -10.612 -1.803 1.00 0.00 H new ATOM 0 HA GLU A 61 3.739 -11.361 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.448 -12.628 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.056 -13.690 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.276 -11.966 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.013 -11.971 -4.828 1.00 0.00 H new ATOM 975 N ARG A 62 4.914 -11.869 0.256 1.00 0.00 N ATOM 976 CA ARG A 62 4.584 -12.313 1.599 1.00 0.00 C ATOM 977 C ARG A 62 4.608 -13.842 1.673 1.00 0.00 C ATOM 978 O ARG A 62 3.795 -14.511 1.038 1.00 0.00 O ATOM 979 CB ARG A 62 3.202 -11.812 2.022 1.00 0.00 C ATOM 980 CG ARG A 62 3.307 -10.486 2.779 1.00 0.00 C ATOM 981 CD ARG A 62 2.129 -9.569 2.445 1.00 0.00 C ATOM 982 NE ARG A 62 1.078 -9.699 3.479 1.00 0.00 N ATOM 983 CZ ARG A 62 0.086 -10.614 3.438 1.00 0.00 C ATOM 984 NH1 ARG A 62 0.002 -11.489 2.413 1.00 0.00 N ATOM 985 NH2 ARG A 62 -0.800 -10.641 4.417 1.00 0.00 N ATOM 0 H ARG A 62 5.774 -11.325 0.186 1.00 0.00 H new ATOM 0 HA ARG A 62 5.331 -11.900 2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.573 -11.683 1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.718 -12.558 2.653 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.331 -10.677 3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.243 -9.990 2.522 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.468 -8.535 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.723 -9.827 1.467 1.00 0.00 H new ATOM 0 HE ARG A 62 1.105 -9.058 4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.691 -11.462 1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.751 -12.177 2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.728 -9.977 5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.556 -11.326 4.402 1.00 0.00 H new ATOM 998 N GLU A 63 5.551 -14.350 2.454 1.00 0.00 N ATOM 999 CA GLU A 63 5.691 -15.787 2.618 1.00 0.00 C ATOM 1000 C GLU A 63 6.530 -16.099 3.859 1.00 0.00 C ATOM 1001 O GLU A 63 7.646 -16.605 3.748 1.00 0.00 O ATOM 1002 CB GLU A 63 6.302 -16.424 1.369 1.00 0.00 C ATOM 1003 CG GLU A 63 5.798 -17.858 1.183 1.00 0.00 C ATOM 1004 CD GLU A 63 6.943 -18.863 1.320 1.00 0.00 C ATOM 1005 OE1 GLU A 63 7.694 -18.817 2.306 1.00 0.00 O ATOM 1006 OE2 GLU A 63 7.040 -19.715 0.356 1.00 0.00 O ATOM 0 H GLU A 63 6.225 -13.793 2.979 1.00 0.00 H new ATOM 0 HA GLU A 63 4.699 -16.216 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.049 -15.829 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.389 -16.424 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.028 -18.076 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.335 -17.960 0.202 1.00 0.00 H new ATOM 1014 N ALA A 64 5.961 -15.784 5.014 1.00 0.00 N ATOM 1015 CA ALA A 64 6.643 -16.025 6.275 1.00 0.00 C ATOM 1016 C ALA A 64 7.118 -17.478 6.323 1.00 0.00 C ATOM 1017 O ALA A 64 6.376 -18.390 5.961 1.00 0.00 O ATOM 1018 CB ALA A 64 5.709 -15.678 7.434 1.00 0.00 C ATOM 0 H ALA A 64 5.036 -15.364 5.103 1.00 0.00 H new ATOM 0 HA ALA A 64 7.523 -15.388 6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.220 -15.859 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.424 -14.628 7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.815 -16.300 7.380 1.00 0.00 H new ATOM 1024 N ARG A 65 8.352 -17.649 6.773 1.00 0.00 N ATOM 1025 CA ARG A 65 8.935 -18.976 6.875 1.00 0.00 C ATOM 1026 C ARG A 65 8.113 -19.846 7.829 1.00 0.00 C ATOM 1027 O ARG A 65 7.935 -21.040 7.590 1.00 0.00 O ATOM 1028 CB ARG A 65 10.379 -18.908 7.373 1.00 0.00 C ATOM 1029 CG ARG A 65 11.342 -19.511 6.350 1.00 0.00 C ATOM 1030 CD ARG A 65 12.675 -19.884 7.003 1.00 0.00 C ATOM 1031 NE ARG A 65 13.792 -19.230 6.283 1.00 0.00 N ATOM 1032 CZ ARG A 65 15.095 -19.421 6.576 1.00 0.00 C ATOM 1033 NH1 ARG A 65 15.458 -20.251 7.578 1.00 0.00 N ATOM 1034 NH2 ARG A 65 16.010 -18.786 5.868 1.00 0.00 N ATOM 0 H ARG A 65 8.965 -16.890 7.071 1.00 0.00 H new ATOM 0 HA ARG A 65 8.928 -19.418 5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.652 -17.871 7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.466 -19.443 8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.893 -20.397 5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.515 -18.798 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.676 -19.576 8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.806 -20.966 6.989 1.00 0.00 H new ATOM 0 HE ARG A 65 13.562 -18.596 5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.745 -20.739 8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 65 16.445 -20.390 7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.728 -18.162 5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.000 -18.919 6.077 1.00 0.00 H new ATOM 1047 N GLU A 66 7.635 -19.214 8.891 1.00 0.00 N ATOM 1048 CA GLU A 66 6.836 -19.914 9.882 1.00 0.00 C ATOM 1049 C GLU A 66 7.736 -20.760 10.785 1.00 0.00 C ATOM 1050 O GLU A 66 7.720 -21.988 10.708 1.00 0.00 O ATOM 1051 CB GLU A 66 5.764 -20.776 9.213 1.00 0.00 C ATOM 1052 CG GLU A 66 4.472 -20.777 10.033 1.00 0.00 C ATOM 1053 CD GLU A 66 3.656 -22.044 9.768 1.00 0.00 C ATOM 1054 OE1 GLU A 66 3.733 -23.005 10.548 1.00 0.00 O ATOM 1055 OE2 GLU A 66 2.922 -22.008 8.709 1.00 0.00 O ATOM 0 H GLU A 66 7.786 -18.224 9.087 1.00 0.00 H new ATOM 0 HA GLU A 66 6.326 -19.174 10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.562 -20.399 8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.130 -21.797 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.711 -20.709 11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.878 -19.898 9.783 1.00 0.00 H new ATOM 1063 N ILE A 67 8.498 -20.071 11.622 1.00 0.00 N ATOM 1064 CA ILE A 67 9.402 -20.744 12.538 1.00 0.00 C ATOM 1065 C ILE A 67 8.752 -20.823 13.922 1.00 0.00 C ATOM 1066 O ILE A 67 7.654 -20.310 14.126 1.00 0.00 O ATOM 1067 CB ILE A 67 10.771 -20.061 12.540 1.00 0.00 C ATOM 1068 CG1 ILE A 67 10.689 -18.671 13.176 1.00 0.00 C ATOM 1069 CG2 ILE A 67 11.361 -20.010 11.129 1.00 0.00 C ATOM 1070 CD1 ILE A 67 11.361 -18.657 14.551 1.00 0.00 C ATOM 0 H ILE A 67 8.508 -19.053 11.685 1.00 0.00 H new ATOM 0 HA ILE A 67 9.584 -21.768 12.211 1.00 0.00 H new ATOM 0 HB ILE A 67 11.449 -20.657 13.151 1.00 0.00 H new ATOM 0 HG12 ILE A 67 11.169 -17.940 12.525 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.645 -18.373 13.274 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.334 -19.520 11.159 1.00 0.00 H new ATOM 0 HG22 ILE A 67 11.477 -21.024 10.746 1.00 0.00 H new ATOM 0 HG23 ILE A 67 10.692 -19.450 10.475 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.289 -17.658 14.981 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.863 -19.371 15.207 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.411 -18.932 14.446 1.00 0.00 H new ATOM 1082 N LYS A 68 9.460 -21.471 14.835 1.00 0.00 N ATOM 1083 CA LYS A 68 8.966 -21.624 16.193 1.00 0.00 C ATOM 1084 C LYS A 68 10.075 -22.207 17.072 1.00 0.00 C ATOM 1085 O LYS A 68 9.918 -23.286 17.643 1.00 0.00 O ATOM 1086 CB LYS A 68 7.676 -22.446 16.205 1.00 0.00 C ATOM 1087 CG LYS A 68 7.103 -22.548 17.620 1.00 0.00 C ATOM 1088 CD LYS A 68 5.849 -21.683 17.767 1.00 0.00 C ATOM 1089 CE LYS A 68 4.679 -22.275 16.980 1.00 0.00 C ATOM 1090 NZ LYS A 68 4.503 -21.560 15.695 1.00 0.00 N ATOM 0 H LYS A 68 10.371 -21.896 14.661 1.00 0.00 H new ATOM 0 HA LYS A 68 8.702 -20.654 16.614 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.942 -21.986 15.544 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.874 -23.445 15.816 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.861 -23.587 17.844 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.854 -22.232 18.344 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.580 -21.603 18.820 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.056 -20.673 17.413 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.858 -23.334 16.792 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.765 -22.206 17.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.542 -21.166 15.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.197 -20.788 15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.646 -22.223 14.906 1.00 0.00 H new ATOM 1103 N SER A 69 11.172 -21.468 17.153 1.00 0.00 N ATOM 1104 CA SER A 69 12.306 -21.899 17.953 1.00 0.00 C ATOM 1105 C SER A 69 12.299 -21.177 19.302 1.00 0.00 C ATOM 1106 O SER A 69 12.392 -19.951 19.354 1.00 0.00 O ATOM 1107 CB SER A 69 13.625 -21.643 17.220 1.00 0.00 C ATOM 1108 OG SER A 69 13.663 -22.286 15.949 1.00 0.00 O ATOM 0 H SER A 69 11.300 -20.574 16.678 1.00 0.00 H new ATOM 0 HA SER A 69 12.218 -22.972 18.122 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.764 -20.570 17.088 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.454 -21.999 17.831 1.00 0.00 H new ATOM 0 HG SER A 69 14.520 -22.097 15.512 1.00 0.00 H new ATOM 1114 N ARG A 70 12.190 -21.967 20.360 1.00 0.00 N ATOM 1115 CA ARG A 70 12.171 -21.419 21.705 1.00 0.00 C ATOM 1116 C ARG A 70 12.778 -22.416 22.693 1.00 0.00 C ATOM 1117 O ARG A 70 12.442 -23.599 22.672 1.00 0.00 O ATOM 1118 CB ARG A 70 10.744 -21.082 22.142 1.00 0.00 C ATOM 1119 CG ARG A 70 10.680 -19.694 22.782 1.00 0.00 C ATOM 1120 CD ARG A 70 9.250 -19.353 23.208 1.00 0.00 C ATOM 1121 NE ARG A 70 8.641 -18.422 22.232 1.00 0.00 N ATOM 1122 CZ ARG A 70 7.415 -17.874 22.373 1.00 0.00 C ATOM 1123 NH1 ARG A 70 6.656 -18.159 23.453 1.00 0.00 N ATOM 1124 NH2 ARG A 70 6.969 -17.055 21.438 1.00 0.00 N ATOM 0 H ARG A 70 12.114 -22.983 20.313 1.00 0.00 H new ATOM 0 HA ARG A 70 12.763 -20.503 21.699 1.00 0.00 H new ATOM 0 HB2 ARG A 70 10.077 -21.120 21.280 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.391 -21.830 22.852 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.340 -19.658 23.649 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.041 -18.947 22.075 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.655 -20.264 23.275 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.255 -18.901 24.200 1.00 0.00 H new ATOM 0 HE ARG A 70 9.181 -18.179 21.401 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.008 -18.793 24.171 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.731 -17.740 23.551 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.548 -16.845 20.625 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.045 -16.632 21.529 1.00 0.00 H new ATOM 1137 N ARG A 71 13.661 -21.902 23.537 1.00 0.00 N ATOM 1138 CA ARG A 71 14.318 -22.732 24.532 1.00 0.00 C ATOM 1139 C ARG A 71 13.574 -22.651 25.865 1.00 0.00 C ATOM 1140 O ARG A 71 12.636 -21.868 26.012 1.00 0.00 O ATOM 1141 CB ARG A 71 15.771 -22.299 24.738 1.00 0.00 C ATOM 1142 CG ARG A 71 16.705 -23.511 24.776 1.00 0.00 C ATOM 1143 CD ARG A 71 18.142 -23.087 25.084 1.00 0.00 C ATOM 1144 NE ARG A 71 19.040 -23.503 23.984 1.00 0.00 N ATOM 1145 CZ ARG A 71 19.349 -24.788 23.705 1.00 0.00 C ATOM 1146 NH1 ARG A 71 18.834 -25.792 24.445 1.00 0.00 N ATOM 1147 NH2 ARG A 71 20.162 -25.045 22.698 1.00 0.00 N ATOM 0 H ARG A 71 13.937 -20.920 23.552 1.00 0.00 H new ATOM 0 HA ARG A 71 14.306 -23.759 24.168 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.072 -21.629 23.933 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.859 -21.739 25.669 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.360 -24.216 25.532 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.673 -24.030 23.818 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.191 -22.006 25.215 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.469 -23.537 26.021 1.00 0.00 H new ATOM 0 HE ARG A 71 19.451 -22.774 23.400 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.206 -25.583 25.222 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.072 -26.760 24.228 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.546 -24.279 22.145 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.406 -26.009 22.473 1.00 0.00 H new TER 1160 ARG A 71