USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 533 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 86 ASN : amide:sc= -2.08 K(o=-5.9,f=-7.6!) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -3.77 K(o=-5.9,f=-7.3) USER MOD Set 2.1: A 32 THR OG1 : rot 34:sc= 1.15 USER MOD Set 2.2: A 89 GLN : amide:sc= -4.67! C(o=-3.5!,f=-5.7!) USER MOD Set 3.1: A 10 MET CE :methyl 153:sc= -5.33! (180deg=-5.97!) USER MOD Set 3.2: A 70 MET CE :methyl -162:sc= -5.01! (180deg=-3.58!) USER MOD Set 4.1: A 6 THR OG1 : rot 180:sc= -0.307 USER MOD Set 4.2: A 38 HIS :FLIP no HD1:sc= -0.844 F(o=-2!,f=-1.2) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 7 SER OG : rot 168:sc= -4.37! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -5.65 K(o=-5.7,f=-14!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 19 HIS : no HD1:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.897 K(o=-0.9,f=-2.8!) USER MOD Single : A 33 GLN : amide:sc= -4.94! C(o=-4.9!,f=-9!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -6.2 K(o=-6.2,f=-18!) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.352 (180deg=-1.4!) USER MOD Single : A 46 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.407 USER MOD Single : A 56 THR OG1 : rot -99:sc= -0.0245 USER MOD Single : A 60 ASN : amide:sc= -0.403 K(o=-0.4,f=-4.8!) USER MOD Single : A 64 SER OG : rot -105:sc= 0.764 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0789 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -2.32! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.8!) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.0216 (180deg=-0.182) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 3 0.947 -4.179 -7.497 1.00 0.00 N ATOM 32 CA LEU A 3 -0.147 -4.235 -6.520 1.00 0.00 C ATOM 33 C LEU A 3 -1.373 -4.984 -7.041 1.00 0.00 C ATOM 34 O LEU A 3 -2.154 -4.448 -7.827 1.00 0.00 O ATOM 35 CB LEU A 3 -0.554 -2.822 -6.103 1.00 0.00 C ATOM 36 CG LEU A 3 -1.677 -2.756 -5.065 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.611 -1.450 -4.289 1.00 0.00 C ATOM 38 CD2 LEU A 3 -3.032 -2.910 -5.735 1.00 0.00 C ATOM 0 HA LEU A 3 0.232 -4.788 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.321 -2.310 -5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.867 -2.272 -6.991 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.545 -3.580 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.417 -1.421 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.652 -1.379 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.717 -0.612 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.818 -2.861 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.173 -2.108 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.078 -3.872 -6.245 1.00 0.00 H new ATOM 44 N ASN A 4 -1.553 -6.214 -6.574 1.00 0.00 N ATOM 45 CA ASN A 4 -2.700 -7.016 -6.976 1.00 0.00 C ATOM 46 C ASN A 4 -3.894 -6.729 -6.067 1.00 0.00 C ATOM 47 O ASN A 4 -3.734 -6.217 -4.958 1.00 0.00 O ATOM 48 CB ASN A 4 -2.358 -8.504 -6.934 1.00 0.00 C ATOM 49 CG ASN A 4 -1.035 -8.814 -7.607 1.00 0.00 C ATOM 50 OD1 ASN A 4 -0.767 -8.355 -8.719 1.00 0.00 O ATOM 51 ND2 ASN A 4 -0.199 -9.598 -6.937 1.00 0.00 N ATOM 0 H ASN A 4 -0.922 -6.675 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.962 -6.748 -7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.321 -8.836 -5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.152 -9.070 -7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.705 -9.842 -7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.461 -9.956 -6.019 1.00 0.00 H new ATOM 56 N ILE A 5 -5.091 -7.050 -6.546 1.00 0.00 N ATOM 57 CA ILE A 5 -6.305 -6.809 -5.777 1.00 0.00 C ATOM 58 C ILE A 5 -7.128 -8.084 -5.620 1.00 0.00 C ATOM 59 O ILE A 5 -7.062 -8.986 -6.454 1.00 0.00 O ATOM 60 CB ILE A 5 -7.188 -5.722 -6.428 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.348 -4.530 -6.885 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.246 -5.249 -5.441 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.381 -4.824 -8.001 1.00 0.00 C ATOM 0 H ILE A 5 -5.246 -7.476 -7.460 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.982 -6.464 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.671 -6.160 -7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.019 -3.734 -7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.789 -4.150 -6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.864 -4.483 -5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.873 -6.091 -5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.760 -4.834 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.832 -3.917 -8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.680 -5.595 -7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.930 -5.172 -8.876 1.00 0.00 H new ATOM 67 N THR A 6 -7.907 -8.147 -4.543 1.00 0.00 N ATOM 68 CA THR A 6 -8.749 -9.306 -4.270 1.00 0.00 C ATOM 69 C THR A 6 -9.923 -8.919 -3.373 1.00 0.00 C ATOM 70 O THR A 6 -9.975 -9.295 -2.202 1.00 0.00 O ATOM 71 CB THR A 6 -7.929 -10.414 -3.609 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.781 -10.719 -4.382 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.706 -11.697 -3.413 1.00 0.00 C ATOM 0 H THR A 6 -7.972 -7.407 -3.844 1.00 0.00 H new ATOM 0 HA THR A 6 -9.142 -9.674 -5.218 1.00 0.00 H new ATOM 0 HB THR A 6 -7.652 -10.023 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.269 -11.429 -3.941 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.066 -12.441 -2.940 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.571 -11.505 -2.778 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.042 -12.070 -4.380 1.00 0.00 H new ATOM 78 N SER A 7 -10.861 -8.162 -3.932 1.00 0.00 N ATOM 79 CA SER A 7 -12.033 -7.717 -3.188 1.00 0.00 C ATOM 80 C SER A 7 -13.084 -8.823 -3.102 1.00 0.00 C ATOM 81 O SER A 7 -13.260 -9.598 -4.043 1.00 0.00 O ATOM 82 CB SER A 7 -12.633 -6.476 -3.844 1.00 0.00 C ATOM 83 OG SER A 7 -11.833 -6.023 -4.923 1.00 0.00 O ATOM 0 H SER A 7 -10.832 -7.843 -4.900 1.00 0.00 H new ATOM 0 HA SER A 7 -11.716 -7.469 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.637 -6.702 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.731 -5.682 -3.103 1.00 0.00 H new ATOM 0 HG SER A 7 -12.330 -5.356 -5.441 1.00 0.00 H new ATOM 89 N LYS A 8 -13.769 -8.898 -1.965 1.00 0.00 N ATOM 90 CA LYS A 8 -14.793 -9.921 -1.753 1.00 0.00 C ATOM 91 C LYS A 8 -16.073 -9.639 -2.549 1.00 0.00 C ATOM 92 O LYS A 8 -16.601 -10.532 -3.212 1.00 0.00 O ATOM 93 CB LYS A 8 -15.107 -10.062 -0.256 1.00 0.00 C ATOM 94 CG LYS A 8 -16.219 -9.151 0.248 1.00 0.00 C ATOM 95 CD LYS A 8 -16.296 -9.151 1.768 1.00 0.00 C ATOM 96 CE LYS A 8 -17.702 -9.456 2.261 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.700 -10.438 3.380 1.00 0.00 N ATOM 0 H LYS A 8 -13.636 -8.265 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.389 -10.863 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.383 -11.097 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.200 -9.856 0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.048 -8.135 -0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.173 -9.477 -0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.602 -9.891 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.980 -8.180 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.179 -8.533 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.298 -9.847 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.678 -10.618 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.268 -11.328 3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.153 -10.055 4.177 1.00 0.00 H new ATOM 111 N GLN A 9 -16.576 -8.408 -2.479 1.00 0.00 N ATOM 112 CA GLN A 9 -17.798 -8.046 -3.195 1.00 0.00 C ATOM 113 C GLN A 9 -17.513 -7.085 -4.350 1.00 0.00 C ATOM 114 O GLN A 9 -17.336 -7.516 -5.489 1.00 0.00 O ATOM 115 CB GLN A 9 -18.839 -7.442 -2.241 1.00 0.00 C ATOM 116 CG GLN A 9 -18.258 -6.519 -1.179 1.00 0.00 C ATOM 117 CD GLN A 9 -18.584 -6.970 0.232 1.00 0.00 C ATOM 118 OE1 GLN A 9 -17.736 -6.924 1.121 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.821 -7.406 0.443 1.00 0.00 N ATOM 0 H GLN A 9 -16.160 -7.650 -1.938 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.207 -8.964 -3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.571 -6.886 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.375 -8.253 -1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.176 -6.470 -1.299 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.642 -5.510 -1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -20.492 -7.427 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.099 -7.720 1.373 1.00 0.00 H new ATOM 126 N MET A 10 -17.475 -5.785 -4.060 1.00 0.00 N ATOM 127 CA MET A 10 -17.219 -4.781 -5.089 1.00 0.00 C ATOM 128 C MET A 10 -16.008 -5.161 -5.932 1.00 0.00 C ATOM 129 O MET A 10 -14.871 -5.113 -5.462 1.00 0.00 O ATOM 130 CB MET A 10 -17.001 -3.407 -4.456 1.00 0.00 C ATOM 131 CG MET A 10 -16.059 -3.429 -3.268 1.00 0.00 C ATOM 132 SD MET A 10 -15.286 -1.831 -2.964 1.00 0.00 S ATOM 133 CE MET A 10 -14.689 -2.063 -1.291 1.00 0.00 C ATOM 0 H MET A 10 -17.618 -5.405 -3.124 1.00 0.00 H new ATOM 0 HA MET A 10 -18.094 -4.737 -5.738 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.605 -2.727 -5.211 1.00 0.00 H new ATOM 0 HB3 MET A 10 -17.963 -3.005 -4.139 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.609 -3.737 -2.379 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.284 -4.176 -3.438 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.822 -1.425 -1.122 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.476 -1.800 -0.584 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.405 -3.106 -1.147 1.00 0.00 H new ATOM 143 N ASP A 11 -16.260 -5.547 -7.177 1.00 0.00 N ATOM 144 CA ASP A 11 -15.189 -5.945 -8.081 1.00 0.00 C ATOM 145 C ASP A 11 -14.187 -4.814 -8.279 1.00 0.00 C ATOM 146 O ASP A 11 -14.299 -3.756 -7.657 1.00 0.00 O ATOM 147 CB ASP A 11 -15.764 -6.378 -9.429 1.00 0.00 C ATOM 148 CG ASP A 11 -16.815 -7.462 -9.289 1.00 0.00 C ATOM 149 OD1 ASP A 11 -17.990 -7.120 -9.041 1.00 0.00 O ATOM 150 OD2 ASP A 11 -16.463 -8.652 -9.424 1.00 0.00 O ATOM 0 H ASP A 11 -17.195 -5.593 -7.583 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.666 -6.788 -7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.202 -5.514 -9.928 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.957 -6.739 -10.066 1.00 0.00 H new ATOM 155 N ILE A 12 -13.208 -5.041 -9.148 1.00 0.00 N ATOM 156 CA ILE A 12 -12.187 -4.037 -9.425 1.00 0.00 C ATOM 157 C ILE A 12 -12.482 -3.306 -10.728 1.00 0.00 C ATOM 158 O ILE A 12 -12.853 -3.918 -11.729 1.00 0.00 O ATOM 159 CB ILE A 12 -10.761 -4.639 -9.509 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.751 -6.109 -9.075 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.794 -3.831 -8.655 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.199 -6.323 -7.646 1.00 0.00 C ATOM 0 H ILE A 12 -13.100 -5.910 -9.672 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.217 -3.342 -8.586 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.439 -4.593 -10.549 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.400 -6.679 -9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.743 -6.507 -9.194 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.797 -4.266 -8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.766 -2.801 -9.012 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.125 -3.846 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.166 -7.387 -7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.536 -5.781 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.218 -5.956 -7.525 1.00 0.00 H new ATOM 166 N THR A 13 -12.311 -1.993 -10.704 1.00 0.00 N ATOM 167 CA THR A 13 -12.552 -1.165 -11.876 1.00 0.00 C ATOM 168 C THR A 13 -11.501 -0.058 -11.965 1.00 0.00 C ATOM 169 O THR A 13 -10.612 0.026 -11.117 1.00 0.00 O ATOM 170 CB THR A 13 -13.965 -0.569 -11.828 1.00 0.00 C ATOM 171 OG1 THR A 13 -13.941 0.767 -11.356 1.00 0.00 O ATOM 172 CG2 THR A 13 -14.925 -1.345 -10.948 1.00 0.00 C ATOM 0 H THR A 13 -12.004 -1.475 -9.880 1.00 0.00 H new ATOM 0 HA THR A 13 -12.474 -1.787 -12.768 1.00 0.00 H new ATOM 0 HB THR A 13 -14.320 -0.618 -12.857 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.854 1.124 -11.337 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.903 -0.864 -10.964 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.016 -2.365 -11.321 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.547 -1.364 -9.926 1.00 0.00 H new ATOM 177 N PRO A 14 -11.579 0.808 -12.992 1.00 0.00 N ATOM 178 CA PRO A 14 -10.621 1.903 -13.171 1.00 0.00 C ATOM 179 C PRO A 14 -10.325 2.644 -11.870 1.00 0.00 C ATOM 180 O PRO A 14 -9.165 2.856 -11.518 1.00 0.00 O ATOM 181 CB PRO A 14 -11.332 2.819 -14.160 1.00 0.00 C ATOM 182 CG PRO A 14 -12.161 1.897 -14.984 1.00 0.00 C ATOM 183 CD PRO A 14 -12.601 0.793 -14.059 1.00 0.00 C ATOM 0 HA PRO A 14 -9.649 1.547 -13.513 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.948 3.557 -13.647 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.620 3.370 -14.774 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.021 2.418 -15.406 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.587 1.499 -15.821 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.599 0.977 -13.661 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.634 -0.169 -14.570 1.00 0.00 H new ATOM 191 N ALA A 15 -11.379 3.035 -11.159 1.00 0.00 N ATOM 192 CA ALA A 15 -11.224 3.750 -9.896 1.00 0.00 C ATOM 193 C ALA A 15 -10.314 2.982 -8.946 1.00 0.00 C ATOM 194 O ALA A 15 -9.149 3.334 -8.773 1.00 0.00 O ATOM 195 CB ALA A 15 -12.582 3.995 -9.254 1.00 0.00 C ATOM 0 H ALA A 15 -12.347 2.869 -11.435 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.760 4.714 -10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.449 4.529 -8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.200 4.591 -9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.072 3.040 -9.063 1.00 0.00 H new ATOM 201 N ILE A 16 -10.846 1.920 -8.343 1.00 0.00 N ATOM 202 CA ILE A 16 -10.068 1.093 -7.423 1.00 0.00 C ATOM 203 C ILE A 16 -8.710 0.752 -8.034 1.00 0.00 C ATOM 204 O ILE A 16 -7.670 1.160 -7.519 1.00 0.00 O ATOM 205 CB ILE A 16 -10.826 -0.210 -7.065 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.875 0.062 -5.988 1.00 0.00 C ATOM 207 CG2 ILE A 16 -9.867 -1.292 -6.591 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.247 0.380 -6.541 1.00 0.00 C ATOM 0 H ILE A 16 -11.810 1.613 -8.475 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.916 1.664 -6.507 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.324 -0.564 -7.968 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.949 -0.809 -5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.540 0.895 -5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.428 -2.194 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.149 -1.513 -7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.336 -0.945 -5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.938 0.561 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.189 1.269 -7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.604 -0.461 -7.135 1.00 0.00 H new ATOM 212 N ARG A 17 -8.730 0.013 -9.144 1.00 0.00 N ATOM 213 CA ARG A 17 -7.501 -0.380 -9.836 1.00 0.00 C ATOM 214 C ARG A 17 -6.495 0.770 -9.861 1.00 0.00 C ATOM 215 O ARG A 17 -5.399 0.668 -9.305 1.00 0.00 O ATOM 216 CB ARG A 17 -7.822 -0.817 -11.267 1.00 0.00 C ATOM 217 CG ARG A 17 -6.671 -1.533 -11.959 1.00 0.00 C ATOM 218 CD ARG A 17 -7.152 -2.750 -12.735 1.00 0.00 C ATOM 219 NE ARG A 17 -6.430 -3.961 -12.356 1.00 0.00 N ATOM 220 CZ ARG A 17 -5.221 -4.279 -12.816 1.00 0.00 C ATOM 221 NH1 ARG A 17 -4.596 -3.477 -13.670 1.00 0.00 N ATOM 222 NH2 ARG A 17 -4.635 -5.401 -12.421 1.00 0.00 N ATOM 0 H ARG A 17 -9.585 -0.326 -9.584 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.058 -1.214 -9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.691 -1.475 -11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.098 0.060 -11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.169 -0.844 -12.638 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.935 -1.842 -11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.218 -2.894 -12.559 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.026 -2.572 -13.803 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.878 -4.601 -11.700 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.042 -2.612 -13.977 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.670 -3.726 -14.019 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.110 -6.021 -11.765 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.709 -5.644 -12.773 1.00 0.00 H new ATOM 236 N GLU A 18 -6.884 1.869 -10.501 1.00 0.00 N ATOM 237 CA GLU A 18 -6.031 3.048 -10.599 1.00 0.00 C ATOM 238 C GLU A 18 -5.671 3.575 -9.213 1.00 0.00 C ATOM 239 O GLU A 18 -4.536 3.985 -8.970 1.00 0.00 O ATOM 240 CB GLU A 18 -6.732 4.141 -11.409 1.00 0.00 C ATOM 241 CG GLU A 18 -5.910 5.412 -11.560 1.00 0.00 C ATOM 242 CD GLU A 18 -5.500 5.676 -12.995 1.00 0.00 C ATOM 243 OE1 GLU A 18 -6.297 6.289 -13.737 1.00 0.00 O ATOM 244 OE2 GLU A 18 -4.381 5.273 -13.378 1.00 0.00 O ATOM 0 H GLU A 18 -7.789 1.967 -10.961 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.111 2.762 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.968 3.752 -12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.679 4.386 -10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.487 6.259 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.017 5.338 -10.939 1.00 0.00 H new ATOM 251 N HIS A 19 -6.642 3.552 -8.305 1.00 0.00 N ATOM 252 CA HIS A 19 -6.429 4.015 -6.943 1.00 0.00 C ATOM 253 C HIS A 19 -5.325 3.194 -6.289 1.00 0.00 C ATOM 254 O HIS A 19 -4.221 3.688 -6.054 1.00 0.00 O ATOM 255 CB HIS A 19 -7.729 3.883 -6.154 1.00 0.00 C ATOM 256 CG HIS A 19 -7.814 4.751 -4.952 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.229 5.995 -4.854 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.450 4.538 -3.793 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.509 6.512 -3.670 1.00 0.00 C ATOM 260 NE2 HIS A 19 -8.251 5.644 -3.004 1.00 0.00 N ATOM 0 H HIS A 19 -7.587 3.216 -8.492 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.126 5.062 -6.954 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.564 4.116 -6.814 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.847 2.844 -5.845 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.016 3.657 -3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.187 7.478 -3.309 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.615 5.774 -2.060 1.00 0.00 H new ATOM 269 N LEU A 20 -5.630 1.928 -6.022 1.00 0.00 N ATOM 270 CA LEU A 20 -4.664 1.012 -5.422 1.00 0.00 C ATOM 271 C LEU A 20 -3.322 1.110 -6.139 1.00 0.00 C ATOM 272 O LEU A 20 -2.282 1.326 -5.512 1.00 0.00 O ATOM 273 CB LEU A 20 -5.176 -0.427 -5.482 1.00 0.00 C ATOM 274 CG LEU A 20 -6.696 -0.586 -5.362 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.117 -2.022 -5.601 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.172 -0.111 -4.004 1.00 0.00 C ATOM 0 H LEU A 20 -6.541 1.511 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.532 1.295 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.854 -0.871 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.703 -0.997 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.161 0.031 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.200 -2.104 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.813 -2.328 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.641 -2.668 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.253 -0.231 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.691 -0.700 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.914 0.940 -3.875 1.00 0.00 H new ATOM 282 N GLU A 21 -3.355 0.966 -7.464 1.00 0.00 N ATOM 283 CA GLU A 21 -2.141 1.054 -8.271 1.00 0.00 C ATOM 284 C GLU A 21 -1.387 2.339 -7.950 1.00 0.00 C ATOM 285 O GLU A 21 -0.215 2.305 -7.567 1.00 0.00 O ATOM 286 CB GLU A 21 -2.488 1.005 -9.760 1.00 0.00 C ATOM 287 CG GLU A 21 -2.816 -0.392 -10.261 1.00 0.00 C ATOM 288 CD GLU A 21 -2.927 -0.459 -11.771 1.00 0.00 C ATOM 289 OE1 GLU A 21 -3.349 0.545 -12.381 1.00 0.00 O ATOM 290 OE2 GLU A 21 -2.590 -1.517 -12.345 1.00 0.00 O ATOM 0 H GLU A 21 -4.206 0.789 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.503 0.203 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.340 1.659 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.650 1.400 -10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.044 -1.085 -9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.755 -0.722 -9.816 1.00 0.00 H new ATOM 297 N GLU A 22 -2.073 3.470 -8.089 1.00 0.00 N ATOM 298 CA GLU A 22 -1.471 4.766 -7.791 1.00 0.00 C ATOM 299 C GLU A 22 -0.872 4.753 -6.389 1.00 0.00 C ATOM 300 O GLU A 22 0.237 5.243 -6.167 1.00 0.00 O ATOM 301 CB GLU A 22 -2.513 5.883 -7.905 1.00 0.00 C ATOM 302 CG GLU A 22 -1.951 7.268 -7.626 1.00 0.00 C ATOM 303 CD GLU A 22 -1.829 8.111 -8.881 1.00 0.00 C ATOM 304 OE1 GLU A 22 -2.706 7.995 -9.762 1.00 0.00 O ATOM 305 OE2 GLU A 22 -0.857 8.889 -8.981 1.00 0.00 O ATOM 0 H GLU A 22 -3.042 3.516 -8.405 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.679 4.955 -8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.941 5.869 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.327 5.683 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.594 7.780 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.970 7.171 -7.161 1.00 0.00 H new ATOM 312 N ARG A 23 -1.609 4.164 -5.448 1.00 0.00 N ATOM 313 CA ARG A 23 -1.141 4.061 -4.069 1.00 0.00 C ATOM 314 C ARG A 23 0.171 3.290 -4.028 1.00 0.00 C ATOM 315 O ARG A 23 1.112 3.678 -3.335 1.00 0.00 O ATOM 316 CB ARG A 23 -2.179 3.377 -3.177 1.00 0.00 C ATOM 317 CG ARG A 23 -2.212 3.934 -1.766 1.00 0.00 C ATOM 318 CD ARG A 23 -2.526 5.423 -1.759 1.00 0.00 C ATOM 319 NE ARG A 23 -3.789 5.712 -1.083 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.347 6.920 -1.039 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.759 7.953 -1.631 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.497 7.096 -0.403 1.00 0.00 N ATOM 0 H ARG A 23 -2.528 3.753 -5.615 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.984 5.070 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.165 3.487 -3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.965 2.309 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.961 3.401 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.250 3.762 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.718 5.962 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.572 5.789 -2.785 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.271 4.943 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.875 7.823 -2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.191 8.876 -1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.954 6.306 0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.925 8.021 -0.369 1.00 0.00 H new ATOM 336 N LEU A 24 0.233 2.207 -4.798 1.00 0.00 N ATOM 337 CA LEU A 24 1.441 1.395 -4.872 1.00 0.00 C ATOM 338 C LEU A 24 2.574 2.221 -5.463 1.00 0.00 C ATOM 339 O LEU A 24 3.675 2.276 -4.912 1.00 0.00 O ATOM 340 CB LEU A 24 1.196 0.147 -5.723 1.00 0.00 C ATOM 341 CG LEU A 24 2.436 -0.702 -6.014 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.607 -1.781 -4.955 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.342 -1.324 -7.400 1.00 0.00 C ATOM 0 H LEU A 24 -0.537 1.873 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 24 1.716 1.075 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.459 -0.478 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.756 0.455 -6.672 1.00 0.00 H new ATOM 0 HG LEU A 24 3.311 -0.053 -5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.494 -2.374 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.720 -1.315 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.730 -2.428 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.232 -1.924 -7.591 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.458 -1.959 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.269 -0.535 -8.149 1.00 0.00 H new ATOM 349 N ALA A 25 2.285 2.881 -6.582 1.00 0.00 N ATOM 350 CA ALA A 25 3.270 3.725 -7.243 1.00 0.00 C ATOM 351 C ALA A 25 3.759 4.806 -6.288 1.00 0.00 C ATOM 352 O ALA A 25 4.908 5.243 -6.360 1.00 0.00 O ATOM 353 CB ALA A 25 2.677 4.349 -8.498 1.00 0.00 C ATOM 0 H ALA A 25 1.378 2.846 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 25 4.120 3.109 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.426 4.977 -8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.367 3.561 -9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.813 4.956 -8.229 1.00 0.00 H new ATOM 359 N LYS A 26 2.877 5.220 -5.381 1.00 0.00 N ATOM 360 CA LYS A 26 3.217 6.237 -4.394 1.00 0.00 C ATOM 361 C LYS A 26 4.022 5.619 -3.256 1.00 0.00 C ATOM 362 O LYS A 26 4.920 6.251 -2.701 1.00 0.00 O ATOM 363 CB LYS A 26 1.948 6.894 -3.847 1.00 0.00 C ATOM 364 CG LYS A 26 1.645 8.247 -4.469 1.00 0.00 C ATOM 365 CD LYS A 26 2.505 9.344 -3.864 1.00 0.00 C ATOM 366 CE LYS A 26 3.755 9.594 -4.692 1.00 0.00 C ATOM 367 NZ LYS A 26 4.327 10.945 -4.441 1.00 0.00 N ATOM 0 H LYS A 26 1.923 4.866 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 26 3.824 7.002 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.102 6.228 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.047 7.014 -2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.816 8.201 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.592 8.487 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.925 10.264 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.789 9.066 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.502 8.835 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.515 9.492 -5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.178 11.076 -5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.624 11.671 -4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.580 11.034 -3.436 1.00 0.00 H new ATOM 381 N LEU A 27 3.695 4.373 -2.918 1.00 0.00 N ATOM 382 CA LEU A 27 4.392 3.663 -1.851 1.00 0.00 C ATOM 383 C LEU A 27 5.723 3.095 -2.347 1.00 0.00 C ATOM 384 O LEU A 27 6.535 2.617 -1.556 1.00 0.00 O ATOM 385 CB LEU A 27 3.513 2.539 -1.290 1.00 0.00 C ATOM 386 CG LEU A 27 2.562 2.959 -0.163 1.00 0.00 C ATOM 387 CD1 LEU A 27 1.861 1.744 0.423 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.314 3.717 0.923 1.00 0.00 C ATOM 0 H LEU A 27 2.953 3.836 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 27 4.601 4.377 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.923 2.119 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.160 1.743 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 27 1.807 3.624 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.190 2.061 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.286 1.244 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.603 1.054 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.620 4.005 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.093 3.078 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.768 4.611 0.495 1.00 0.00 H new ATOM 394 N GLY A 28 5.949 3.155 -3.659 1.00 0.00 N ATOM 395 CA GLY A 28 7.193 2.651 -4.216 1.00 0.00 C ATOM 396 C GLY A 28 8.402 3.368 -3.647 1.00 0.00 C ATOM 397 O GLY A 28 9.343 2.736 -3.170 1.00 0.00 O ATOM 0 H GLY A 28 5.297 3.541 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.275 1.583 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.179 2.768 -5.300 1.00 0.00 H new ATOM 401 N LYS A 29 8.367 4.696 -3.698 1.00 0.00 N ATOM 402 CA LYS A 29 9.461 5.518 -3.181 1.00 0.00 C ATOM 403 C LYS A 29 9.494 5.524 -1.654 1.00 0.00 C ATOM 404 O LYS A 29 10.407 6.083 -1.047 1.00 0.00 O ATOM 405 CB LYS A 29 9.332 6.958 -3.689 1.00 0.00 C ATOM 406 CG LYS A 29 8.272 7.790 -2.967 1.00 0.00 C ATOM 407 CD LYS A 29 8.896 8.925 -2.169 1.00 0.00 C ATOM 408 CE LYS A 29 8.130 9.189 -0.879 1.00 0.00 C ATOM 409 NZ LYS A 29 8.475 10.512 -0.290 1.00 0.00 N ATOM 0 H LYS A 29 7.592 5.229 -4.093 1.00 0.00 H new ATOM 0 HA LYS A 29 10.391 5.080 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.297 7.454 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.096 6.935 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.572 8.199 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.698 7.148 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.932 8.679 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.913 9.831 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.059 9.148 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.351 8.402 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.933 10.654 0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.492 10.542 -0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.241 11.265 -0.968 1.00 0.00 H new ATOM 423 N TRP A 30 8.485 4.923 -1.039 1.00 0.00 N ATOM 424 CA TRP A 30 8.388 4.885 0.411 1.00 0.00 C ATOM 425 C TRP A 30 9.440 3.968 1.033 1.00 0.00 C ATOM 426 O TRP A 30 9.108 2.934 1.612 1.00 0.00 O ATOM 427 CB TRP A 30 6.980 4.459 0.823 1.00 0.00 C ATOM 428 CG TRP A 30 6.164 5.596 1.348 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.199 6.298 0.685 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.256 6.172 2.649 1.00 0.00 C ATOM 431 NE1 TRP A 30 4.682 7.272 1.502 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.318 7.215 2.716 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.044 5.899 3.764 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.150 7.989 3.862 1.00 0.00 C ATOM 435 CZ3 TRP A 30 6.878 6.665 4.898 1.00 0.00 C ATOM 436 CH2 TRP A 30 5.938 7.699 4.941 1.00 0.00 C ATOM 0 H TRP A 30 7.720 4.454 -1.525 1.00 0.00 H new ATOM 0 HA TRP A 30 8.584 5.889 0.788 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.472 4.019 -0.035 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.048 3.683 1.586 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.888 6.114 -0.333 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.946 7.930 1.248 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.772 5.102 3.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.424 8.788 3.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.485 6.463 5.768 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.832 8.280 5.845 1.00 0.00 H new ATOM 447 N GLN A 31 10.709 4.377 0.921 1.00 0.00 N ATOM 448 CA GLN A 31 11.844 3.627 1.478 1.00 0.00 C ATOM 449 C GLN A 31 11.535 2.140 1.643 1.00 0.00 C ATOM 450 O GLN A 31 11.679 1.586 2.733 1.00 0.00 O ATOM 451 CB GLN A 31 12.243 4.213 2.837 1.00 0.00 C ATOM 452 CG GLN A 31 13.020 5.514 2.748 1.00 0.00 C ATOM 453 CD GLN A 31 14.278 5.388 1.912 1.00 0.00 C ATOM 454 OE1 GLN A 31 14.700 4.285 1.567 1.00 0.00 O ATOM 455 NE2 GLN A 31 14.886 6.523 1.583 1.00 0.00 N ATOM 0 H GLN A 31 10.979 5.236 0.442 1.00 0.00 H new ATOM 0 HA GLN A 31 12.666 3.720 0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.342 4.380 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.844 3.480 3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.380 6.286 2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.288 5.842 3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.501 7.416 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.738 6.501 1.023 1.00 0.00 H new ATOM 462 N THR A 32 11.100 1.497 0.566 1.00 0.00 N ATOM 463 CA THR A 32 10.768 0.085 0.624 1.00 0.00 C ATOM 464 C THR A 32 10.526 -0.478 -0.776 1.00 0.00 C ATOM 465 O THR A 32 10.325 0.263 -1.737 1.00 0.00 O ATOM 466 CB THR A 32 9.531 -0.111 1.517 1.00 0.00 C ATOM 467 OG1 THR A 32 9.909 -0.221 2.877 1.00 0.00 O ATOM 468 CG2 THR A 32 8.703 -1.334 1.184 1.00 0.00 C ATOM 0 H THR A 32 10.971 1.929 -0.349 1.00 0.00 H new ATOM 0 HA THR A 32 11.608 -0.461 1.054 1.00 0.00 H new ATOM 0 HB THR A 32 8.920 0.772 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.688 0.348 3.047 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.852 -1.393 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.344 -1.262 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.316 -2.229 1.292 1.00 0.00 H new ATOM 473 N GLN A 33 10.519 -1.801 -0.859 1.00 0.00 N ATOM 474 CA GLN A 33 10.270 -2.507 -2.104 1.00 0.00 C ATOM 475 C GLN A 33 9.124 -3.463 -1.877 1.00 0.00 C ATOM 476 O GLN A 33 9.313 -4.595 -1.435 1.00 0.00 O ATOM 477 CB GLN A 33 11.504 -3.271 -2.573 1.00 0.00 C ATOM 478 CG GLN A 33 12.407 -3.736 -1.442 1.00 0.00 C ATOM 479 CD GLN A 33 13.351 -2.639 -0.977 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.071 -1.453 -1.151 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.475 -3.025 -0.381 1.00 0.00 N ATOM 0 H GLN A 33 10.686 -2.415 -0.062 1.00 0.00 H new ATOM 0 HA GLN A 33 10.024 -1.785 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.184 -4.139 -3.150 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.079 -2.635 -3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.795 -4.067 -0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.987 -4.597 -1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.671 -4.018 -0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.142 -2.328 -0.049 1.00 0.00 H new ATOM 488 N LEU A 34 7.931 -2.975 -2.138 1.00 0.00 N ATOM 489 CA LEU A 34 6.724 -3.746 -1.923 1.00 0.00 C ATOM 490 C LEU A 34 6.832 -5.152 -2.504 1.00 0.00 C ATOM 491 O LEU A 34 6.549 -5.379 -3.681 1.00 0.00 O ATOM 492 CB LEU A 34 5.522 -3.007 -2.514 1.00 0.00 C ATOM 493 CG LEU A 34 5.049 -1.766 -1.738 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.164 -1.177 -0.878 1.00 0.00 C ATOM 495 CD2 LEU A 34 4.512 -0.722 -2.705 1.00 0.00 C ATOM 0 H LEU A 34 7.769 -2.037 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 34 6.585 -3.856 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.771 -2.703 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.689 -3.706 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 34 4.250 -2.076 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.790 -0.302 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.501 -1.923 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.999 -0.885 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.179 0.153 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.299 -0.431 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.672 -1.139 -3.261 1.00 0.00 H new ATOM 501 N ILE A 35 7.232 -6.092 -1.655 1.00 0.00 N ATOM 502 CA ILE A 35 7.371 -7.484 -2.054 1.00 0.00 C ATOM 503 C ILE A 35 5.998 -8.120 -2.245 1.00 0.00 C ATOM 504 O ILE A 35 5.300 -8.409 -1.273 1.00 0.00 O ATOM 505 CB ILE A 35 8.168 -8.278 -1.002 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.620 -7.787 -0.970 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.104 -9.775 -1.296 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.560 -8.735 -0.267 1.00 0.00 C ATOM 0 H ILE A 35 7.467 -5.911 -0.679 1.00 0.00 H new ATOM 0 HA ILE A 35 7.914 -7.512 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 35 7.723 -8.112 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.967 -7.635 -1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.656 -6.817 -0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.673 -10.319 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.066 -10.106 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.528 -9.971 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.570 -8.324 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.238 -8.868 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.553 -9.699 -0.776 1.00 0.00 H new ATOM 512 N SER A 36 5.615 -8.331 -3.501 1.00 0.00 N ATOM 513 CA SER A 36 4.318 -8.927 -3.821 1.00 0.00 C ATOM 514 C SER A 36 3.211 -8.290 -2.985 1.00 0.00 C ATOM 515 O SER A 36 2.912 -8.734 -1.877 1.00 0.00 O ATOM 516 CB SER A 36 4.359 -10.437 -3.588 1.00 0.00 C ATOM 517 OG SER A 36 3.649 -11.131 -4.599 1.00 0.00 O ATOM 0 H SER A 36 6.183 -8.099 -4.315 1.00 0.00 H new ATOM 0 HA SER A 36 4.102 -8.740 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.395 -10.777 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.929 -10.669 -2.614 1.00 0.00 H new ATOM 0 HG SER A 36 3.693 -12.095 -4.427 1.00 0.00 H new ATOM 523 N PRO A 37 2.612 -7.214 -3.510 1.00 0.00 N ATOM 524 CA PRO A 37 1.561 -6.463 -2.844 1.00 0.00 C ATOM 525 C PRO A 37 0.151 -6.864 -3.270 1.00 0.00 C ATOM 526 O PRO A 37 -0.114 -7.098 -4.450 1.00 0.00 O ATOM 527 CB PRO A 37 1.854 -5.030 -3.301 1.00 0.00 C ATOM 528 CG PRO A 37 2.680 -5.151 -4.556 1.00 0.00 C ATOM 529 CD PRO A 37 2.933 -6.610 -4.799 1.00 0.00 C ATOM 0 HA PRO A 37 1.571 -6.625 -1.766 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.929 -4.486 -3.494 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.394 -4.478 -2.531 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.156 -4.708 -5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.622 -4.613 -4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.303 -7.002 -5.597 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.967 -6.798 -5.087 1.00 0.00 H new ATOM 537 N HIS A 38 -0.754 -6.907 -2.298 1.00 0.00 N ATOM 538 CA HIS A 38 -2.150 -7.238 -2.554 1.00 0.00 C ATOM 539 C HIS A 38 -3.050 -6.174 -1.961 1.00 0.00 C ATOM 540 O HIS A 38 -2.596 -5.297 -1.226 1.00 0.00 O ATOM 541 CB HIS A 38 -2.523 -8.587 -1.946 1.00 0.00 C ATOM 542 CG HIS A 38 -2.627 -9.702 -2.936 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.446 -9.871 -4.000 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.841 -10.831 -2.876 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.144 -11.089 -4.555 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.173 -11.648 -3.858 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.543 -6.715 -1.319 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.283 -7.289 -3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.778 -8.852 -1.195 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.477 -8.487 -1.428 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.073 -11.019 -2.140 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.623 -11.520 -5.422 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.751 -12.557 -4.046 1.00 0.00 H new ATOM 555 N PHE A 39 -4.331 -6.270 -2.263 1.00 0.00 N ATOM 556 CA PHE A 39 -5.298 -5.328 -1.738 1.00 0.00 C ATOM 557 C PHE A 39 -6.673 -5.967 -1.602 1.00 0.00 C ATOM 558 O PHE A 39 -7.450 -6.005 -2.552 1.00 0.00 O ATOM 559 CB PHE A 39 -5.360 -4.079 -2.609 1.00 0.00 C ATOM 560 CG PHE A 39 -4.791 -2.861 -1.936 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.421 -2.658 -1.869 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.632 -1.923 -1.362 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.902 -1.540 -1.240 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.121 -0.805 -0.732 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.756 -0.613 -0.671 1.00 0.00 C ATOM 0 H PHE A 39 -4.725 -6.990 -2.869 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.972 -5.032 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.816 -4.262 -3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.397 -3.885 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.752 -3.380 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.701 -2.067 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.833 -1.392 -1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.789 -0.082 -0.288 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.355 0.261 -0.179 1.00 0.00 H new ATOM 575 N VAL A 40 -6.972 -6.462 -0.407 1.00 0.00 N ATOM 576 CA VAL A 40 -8.247 -7.087 -0.138 1.00 0.00 C ATOM 577 C VAL A 40 -9.251 -6.043 0.339 1.00 0.00 C ATOM 578 O VAL A 40 -9.353 -5.758 1.533 1.00 0.00 O ATOM 579 CB VAL A 40 -8.096 -8.193 0.924 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.443 -8.802 1.255 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.122 -9.260 0.446 1.00 0.00 C ATOM 0 H VAL A 40 -6.339 -6.439 0.392 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.611 -7.539 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.694 -7.747 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.315 -9.581 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.106 -8.029 1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.878 -9.235 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.027 -10.034 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.493 -9.704 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.147 -8.808 0.265 1.00 0.00 H new ATOM 585 N LEU A 41 -9.974 -5.459 -0.612 1.00 0.00 N ATOM 586 CA LEU A 41 -10.955 -4.427 -0.300 1.00 0.00 C ATOM 587 C LEU A 41 -12.369 -4.985 -0.253 1.00 0.00 C ATOM 588 O LEU A 41 -12.702 -5.930 -0.962 1.00 0.00 O ATOM 589 CB LEU A 41 -10.889 -3.297 -1.328 1.00 0.00 C ATOM 590 CG LEU A 41 -11.358 -3.655 -2.736 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.853 -2.415 -3.463 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.239 -4.319 -3.519 1.00 0.00 C ATOM 0 H LEU A 41 -9.898 -5.683 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.708 -4.039 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.492 -2.465 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.860 -2.944 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.185 -4.360 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.183 -2.688 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.686 -1.979 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.044 -1.687 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.593 -4.567 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.392 -3.637 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.928 -5.230 -3.008 1.00 0.00 H new ATOM 598 N ASN A 42 -13.199 -4.378 0.586 1.00 0.00 N ATOM 599 CA ASN A 42 -14.585 -4.796 0.726 1.00 0.00 C ATOM 600 C ASN A 42 -15.472 -3.623 1.128 1.00 0.00 C ATOM 601 O ASN A 42 -14.988 -2.575 1.560 1.00 0.00 O ATOM 602 CB ASN A 42 -14.709 -5.920 1.753 1.00 0.00 C ATOM 603 CG ASN A 42 -13.857 -7.120 1.401 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.926 -7.641 0.290 1.00 0.00 O ATOM 605 ND2 ASN A 42 -13.044 -7.566 2.349 1.00 0.00 N ATOM 0 H ASN A 42 -12.934 -3.593 1.181 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.920 -5.166 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.417 -5.546 2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.752 -6.228 1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.444 -8.371 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.018 -7.104 3.258 1.00 0.00 H new ATOM 610 N LYS A 43 -16.774 -3.811 0.988 1.00 0.00 N ATOM 611 CA LYS A 43 -17.742 -2.781 1.337 1.00 0.00 C ATOM 612 C LYS A 43 -18.866 -3.370 2.173 1.00 0.00 C ATOM 613 O LYS A 43 -19.119 -4.572 2.129 1.00 0.00 O ATOM 614 CB LYS A 43 -18.359 -2.168 0.076 1.00 0.00 C ATOM 615 CG LYS A 43 -19.838 -1.809 0.246 1.00 0.00 C ATOM 616 CD LYS A 43 -20.387 -1.094 -0.978 1.00 0.00 C ATOM 617 CE LYS A 43 -21.188 -2.037 -1.860 1.00 0.00 C ATOM 618 NZ LYS A 43 -22.245 -2.753 -1.093 1.00 0.00 N ATOM 0 H LYS A 43 -17.188 -4.673 0.633 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.214 -2.013 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.802 -1.271 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.254 -2.870 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.414 -2.716 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.960 -1.174 1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.019 -0.264 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.564 -0.668 -1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.648 -1.472 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.517 -2.764 -2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.048 -2.962 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.859 -3.642 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.568 -2.155 -0.306 1.00 0.00 H new ATOM 632 N VAL A 44 -19.572 -2.501 2.880 1.00 0.00 N ATOM 633 CA VAL A 44 -20.709 -2.917 3.672 1.00 0.00 C ATOM 634 C VAL A 44 -21.627 -1.734 3.979 1.00 0.00 C ATOM 635 O VAL A 44 -21.193 -0.582 3.980 1.00 0.00 O ATOM 636 CB VAL A 44 -20.296 -3.600 4.980 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.447 -4.833 4.715 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.575 -2.638 5.912 1.00 0.00 C ATOM 0 H VAL A 44 -19.373 -1.501 2.919 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.249 -3.648 3.070 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.211 -3.920 5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.170 -5.295 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.016 -5.545 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.545 -4.545 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -19.298 -3.159 6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.677 -2.262 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -20.233 -1.803 6.153 1.00 0.00 H new ATOM 642 N PRO A 45 -22.917 -2.001 4.239 1.00 0.00 N ATOM 643 CA PRO A 45 -23.894 -0.952 4.541 1.00 0.00 C ATOM 644 C PRO A 45 -23.379 0.054 5.564 1.00 0.00 C ATOM 645 O PRO A 45 -23.532 1.263 5.394 1.00 0.00 O ATOM 646 CB PRO A 45 -25.079 -1.734 5.107 1.00 0.00 C ATOM 647 CG PRO A 45 -24.994 -3.069 4.452 1.00 0.00 C ATOM 648 CD PRO A 45 -23.526 -3.346 4.256 1.00 0.00 C ATOM 0 HA PRO A 45 -24.135 -0.354 3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.016 -1.820 6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.024 -1.241 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.456 -3.837 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.521 -3.069 3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -23.123 -3.958 5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.340 -3.882 3.325 1.00 0.00 H new ATOM 656 N ASN A 46 -22.770 -0.457 6.627 1.00 0.00 N ATOM 657 CA ASN A 46 -22.233 0.390 7.688 1.00 0.00 C ATOM 658 C ASN A 46 -20.854 0.954 7.336 1.00 0.00 C ATOM 659 O ASN A 46 -20.065 1.263 8.230 1.00 0.00 O ATOM 660 CB ASN A 46 -22.150 -0.398 8.997 1.00 0.00 C ATOM 661 CG ASN A 46 -22.624 0.411 10.188 1.00 0.00 C ATOM 662 OD1 ASN A 46 -23.534 1.232 10.073 1.00 0.00 O ATOM 663 ND2 ASN A 46 -22.008 0.182 11.342 1.00 0.00 N ATOM 0 H ASN A 46 -22.635 -1.457 6.779 1.00 0.00 H new ATOM 0 HA ASN A 46 -22.914 1.233 7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.752 -1.303 8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.120 -0.715 9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -22.285 0.696 12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -21.258 -0.508 11.392 1.00 0.00 H new ATOM 668 N GLY A 47 -20.557 1.094 6.044 1.00 0.00 N ATOM 669 CA GLY A 47 -19.277 1.621 5.640 1.00 0.00 C ATOM 670 C GLY A 47 -18.501 0.651 4.777 1.00 0.00 C ATOM 671 O GLY A 47 -18.917 -0.481 4.558 1.00 0.00 O ATOM 0 H GLY A 47 -21.184 0.850 5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.427 2.551 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.691 1.864 6.526 1.00 0.00 H new ATOM 675 N PHE A 48 -17.365 1.104 4.296 1.00 0.00 N ATOM 676 CA PHE A 48 -16.500 0.294 3.459 1.00 0.00 C ATOM 677 C PHE A 48 -15.345 -0.256 4.278 1.00 0.00 C ATOM 678 O PHE A 48 -14.724 0.477 5.050 1.00 0.00 O ATOM 679 CB PHE A 48 -15.933 1.130 2.315 1.00 0.00 C ATOM 680 CG PHE A 48 -16.874 1.357 1.175 1.00 0.00 C ATOM 681 CD1 PHE A 48 -18.079 2.006 1.367 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.537 0.932 -0.096 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.936 2.225 0.304 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.386 1.143 -1.160 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.586 1.789 -0.962 1.00 0.00 C ATOM 0 H PHE A 48 -17.012 2.045 4.473 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.091 -0.527 3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.624 2.098 2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.037 0.639 1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.354 2.345 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.596 0.428 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.875 2.735 0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.111 0.803 -2.147 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.254 1.955 -1.794 1.00 0.00 H new ATOM 695 N SER A 49 -15.043 -1.533 4.084 1.00 0.00 N ATOM 696 CA SER A 49 -13.938 -2.162 4.784 1.00 0.00 C ATOM 697 C SER A 49 -12.855 -2.527 3.793 1.00 0.00 C ATOM 698 O SER A 49 -13.096 -3.243 2.825 1.00 0.00 O ATOM 699 CB SER A 49 -14.380 -3.404 5.547 1.00 0.00 C ATOM 700 OG SER A 49 -15.769 -3.636 5.400 1.00 0.00 O ATOM 0 H SER A 49 -15.548 -2.150 3.448 1.00 0.00 H new ATOM 0 HA SER A 49 -13.554 -1.448 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.825 -4.270 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.139 -3.288 6.604 1.00 0.00 H new ATOM 0 HG SER A 49 -16.021 -4.441 5.900 1.00 0.00 H new ATOM 706 N VAL A 50 -11.670 -2.022 4.035 1.00 0.00 N ATOM 707 CA VAL A 50 -10.544 -2.283 3.149 1.00 0.00 C ATOM 708 C VAL A 50 -9.340 -2.791 3.927 1.00 0.00 C ATOM 709 O VAL A 50 -8.938 -2.191 4.924 1.00 0.00 O ATOM 710 CB VAL A 50 -10.137 -1.021 2.357 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.626 -1.398 0.975 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.302 -0.044 2.249 1.00 0.00 C ATOM 0 H VAL A 50 -11.453 -1.428 4.835 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.870 -3.050 2.446 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.331 -0.527 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.344 -0.496 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.757 -2.048 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.410 -1.921 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.988 0.836 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.134 -0.525 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.618 0.257 3.248 1.00 0.00 H new ATOM 716 N GLU A 51 -8.767 -3.895 3.457 1.00 0.00 N ATOM 717 CA GLU A 51 -7.602 -4.488 4.096 1.00 0.00 C ATOM 718 C GLU A 51 -6.495 -4.694 3.070 1.00 0.00 C ATOM 719 O GLU A 51 -6.724 -5.238 1.990 1.00 0.00 O ATOM 720 CB GLU A 51 -7.978 -5.817 4.762 1.00 0.00 C ATOM 721 CG GLU A 51 -6.787 -6.683 5.153 1.00 0.00 C ATOM 722 CD GLU A 51 -6.803 -7.077 6.618 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.478 -8.071 6.957 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.141 -6.391 7.425 1.00 0.00 O ATOM 0 H GLU A 51 -9.094 -4.397 2.632 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.238 -3.811 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.569 -5.608 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.616 -6.383 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.781 -7.584 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.865 -6.144 4.936 1.00 0.00 H new ATOM 731 N ALA A 52 -5.303 -4.239 3.416 1.00 0.00 N ATOM 732 CA ALA A 52 -4.153 -4.353 2.527 1.00 0.00 C ATOM 733 C ALA A 52 -3.083 -5.271 3.102 1.00 0.00 C ATOM 734 O ALA A 52 -3.045 -5.523 4.307 1.00 0.00 O ATOM 735 CB ALA A 52 -3.568 -2.976 2.254 1.00 0.00 C ATOM 0 H ALA A 52 -5.103 -3.786 4.308 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.499 -4.794 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.709 -3.071 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.323 -2.346 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.251 -2.523 3.193 1.00 0.00 H new ATOM 741 N SER A 53 -2.210 -5.762 2.225 1.00 0.00 N ATOM 742 CA SER A 53 -1.126 -6.647 2.626 1.00 0.00 C ATOM 743 C SER A 53 0.026 -6.579 1.624 1.00 0.00 C ATOM 744 O SER A 53 -0.088 -7.076 0.504 1.00 0.00 O ATOM 745 CB SER A 53 -1.628 -8.087 2.747 1.00 0.00 C ATOM 746 OG SER A 53 -2.904 -8.132 3.361 1.00 0.00 O ATOM 0 H SER A 53 -2.236 -5.558 1.226 1.00 0.00 H new ATOM 0 HA SER A 53 -0.762 -6.317 3.599 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.681 -8.541 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.919 -8.675 3.330 1.00 0.00 H new ATOM 0 HG SER A 53 -3.203 -9.063 3.425 1.00 0.00 H new ATOM 752 N ILE A 54 1.129 -5.956 2.030 1.00 0.00 N ATOM 753 CA ILE A 54 2.296 -5.819 1.159 1.00 0.00 C ATOM 754 C ILE A 54 3.579 -6.231 1.875 1.00 0.00 C ATOM 755 O ILE A 54 3.850 -5.778 2.982 1.00 0.00 O ATOM 756 CB ILE A 54 2.460 -4.371 0.659 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.153 -3.855 0.056 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.590 -4.289 -0.358 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.241 -2.427 -0.446 1.00 0.00 C ATOM 0 H ILE A 54 1.241 -5.539 2.954 1.00 0.00 H new ATOM 0 HA ILE A 54 2.125 -6.480 0.310 1.00 0.00 H new ATOM 0 HB ILE A 54 2.713 -3.738 1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.861 -4.505 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.365 -3.920 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.695 -3.260 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.522 -4.613 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.364 -4.935 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.279 -2.127 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.502 -1.766 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.006 -2.360 -1.220 1.00 0.00 H new ATOM 763 N GLY A 55 4.374 -7.078 1.231 1.00 0.00 N ATOM 764 CA GLY A 55 5.613 -7.516 1.820 1.00 0.00 C ATOM 765 C GLY A 55 6.705 -6.485 1.702 1.00 0.00 C ATOM 766 O GLY A 55 6.691 -5.638 0.809 1.00 0.00 O ATOM 0 H GLY A 55 4.176 -7.467 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.449 -7.748 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.935 -8.438 1.337 1.00 0.00 H new ATOM 770 N THR A 56 7.652 -6.572 2.609 1.00 0.00 N ATOM 771 CA THR A 56 8.789 -5.658 2.632 1.00 0.00 C ATOM 772 C THR A 56 10.017 -6.342 3.216 1.00 0.00 C ATOM 773 O THR A 56 9.909 -7.069 4.204 1.00 0.00 O ATOM 774 CB THR A 56 8.492 -4.398 3.454 1.00 0.00 C ATOM 775 OG1 THR A 56 9.107 -4.474 4.737 1.00 0.00 O ATOM 776 CG2 THR A 56 7.016 -4.134 3.647 1.00 0.00 C ATOM 0 H THR A 56 7.663 -7.272 3.351 1.00 0.00 H new ATOM 0 HA THR A 56 8.979 -5.367 1.599 1.00 0.00 H new ATOM 0 HB THR A 56 8.906 -3.573 2.874 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.443 -4.752 5.402 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.883 -3.227 4.237 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.539 -4.008 2.675 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.561 -4.976 4.168 1.00 0.00 H new ATOM 781 N PRO A 57 11.213 -6.099 2.652 1.00 0.00 N ATOM 782 CA PRO A 57 12.437 -6.689 3.186 1.00 0.00 C ATOM 783 C PRO A 57 12.615 -6.350 4.666 1.00 0.00 C ATOM 784 O PRO A 57 13.412 -6.975 5.365 1.00 0.00 O ATOM 785 CB PRO A 57 13.555 -6.041 2.366 1.00 0.00 C ATOM 786 CG PRO A 57 12.898 -5.522 1.135 1.00 0.00 C ATOM 787 CD PRO A 57 11.470 -5.223 1.493 1.00 0.00 C ATOM 0 HA PRO A 57 12.428 -7.777 3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.034 -5.236 2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.332 -6.765 2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.402 -4.624 0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.949 -6.257 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.332 -4.172 1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.795 -5.443 0.666 1.00 0.00 H new ATOM 795 N LEU A 58 11.871 -5.343 5.134 1.00 0.00 N ATOM 796 CA LEU A 58 11.955 -4.913 6.524 1.00 0.00 C ATOM 797 C LEU A 58 10.836 -5.531 7.362 1.00 0.00 C ATOM 798 O LEU A 58 10.916 -5.568 8.590 1.00 0.00 O ATOM 799 CB LEU A 58 11.898 -3.386 6.602 1.00 0.00 C ATOM 800 CG LEU A 58 13.218 -2.673 6.285 1.00 0.00 C ATOM 801 CD1 LEU A 58 13.236 -2.179 4.843 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.444 -1.516 7.246 1.00 0.00 C ATOM 0 H LEU A 58 11.207 -4.815 4.568 1.00 0.00 H new ATOM 0 HA LEU A 58 12.906 -5.256 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.134 -3.030 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.579 -3.100 7.604 1.00 0.00 H new ATOM 0 HG LEU A 58 14.029 -3.391 6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.182 -1.677 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.124 -3.026 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.414 -1.480 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.385 -1.022 7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.626 -0.802 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.483 -1.894 8.268 1.00 0.00 H new ATOM 808 N GLY A 59 9.797 -6.022 6.692 1.00 0.00 N ATOM 809 CA GLY A 59 8.685 -6.638 7.391 1.00 0.00 C ATOM 810 C GLY A 59 7.384 -6.543 6.622 1.00 0.00 C ATOM 811 O GLY A 59 7.017 -5.474 6.137 1.00 0.00 O ATOM 0 H GLY A 59 9.706 -6.004 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.915 -7.687 7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.563 -6.160 8.363 1.00 0.00 H new ATOM 815 N ASN A 60 6.684 -7.670 6.514 1.00 0.00 N ATOM 816 CA ASN A 60 5.414 -7.722 5.801 1.00 0.00 C ATOM 817 C ASN A 60 4.472 -6.620 6.279 1.00 0.00 C ATOM 818 O ASN A 60 4.488 -6.240 7.450 1.00 0.00 O ATOM 819 CB ASN A 60 4.758 -9.088 6.002 1.00 0.00 C ATOM 820 CG ASN A 60 5.711 -10.237 5.739 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.890 -10.029 5.455 1.00 0.00 O ATOM 822 ND2 ASN A 60 5.200 -11.461 5.830 1.00 0.00 N ATOM 0 H ASN A 60 6.978 -8.561 6.913 1.00 0.00 H new ATOM 0 HA ASN A 60 5.613 -7.568 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.382 -9.159 7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.898 -9.175 5.338 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.792 -12.275 5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.216 -11.587 6.068 1.00 0.00 H new ATOM 827 N LEU A 61 3.650 -6.112 5.367 1.00 0.00 N ATOM 828 CA LEU A 61 2.701 -5.054 5.698 1.00 0.00 C ATOM 829 C LEU A 61 1.271 -5.556 5.621 1.00 0.00 C ATOM 830 O LEU A 61 0.919 -6.320 4.726 1.00 0.00 O ATOM 831 CB LEU A 61 2.839 -3.862 4.748 1.00 0.00 C ATOM 832 CG LEU A 61 4.214 -3.203 4.689 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.506 -2.727 3.273 1.00 0.00 C ATOM 834 CD2 LEU A 61 4.287 -2.039 5.663 1.00 0.00 C ATOM 0 H LEU A 61 3.621 -6.415 4.394 1.00 0.00 H new ATOM 0 HA LEU A 61 2.930 -4.740 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.574 -4.192 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.109 -3.106 5.038 1.00 0.00 H new ATOM 0 HG LEU A 61 4.966 -3.939 4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.490 -2.258 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.488 -3.578 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.750 -2.003 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.274 -1.580 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.529 -1.300 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.111 -2.401 6.676 1.00 0.00 H new ATOM 840 N LEU A 62 0.451 -5.085 6.549 1.00 0.00 N ATOM 841 CA LEU A 62 -0.957 -5.436 6.594 1.00 0.00 C ATOM 842 C LEU A 62 -1.750 -4.246 7.104 1.00 0.00 C ATOM 843 O LEU A 62 -1.236 -3.424 7.862 1.00 0.00 O ATOM 844 CB LEU A 62 -1.223 -6.642 7.500 1.00 0.00 C ATOM 845 CG LEU A 62 -0.372 -7.889 7.239 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.463 -8.312 5.779 1.00 0.00 C ATOM 847 CD2 LEU A 62 1.075 -7.651 7.650 1.00 0.00 C ATOM 0 H LEU A 62 0.745 -4.449 7.291 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.266 -5.704 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.069 -6.333 8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.273 -6.918 7.402 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.766 -8.703 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.149 -9.199 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.500 -8.537 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.104 -7.503 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.661 -8.549 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.484 -6.820 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.117 -7.413 8.713 1.00 0.00 H new ATOM 853 N ALA A 63 -2.997 -4.162 6.694 1.00 0.00 N ATOM 854 CA ALA A 63 -3.860 -3.071 7.118 1.00 0.00 C ATOM 855 C ALA A 63 -5.324 -3.423 6.915 1.00 0.00 C ATOM 856 O ALA A 63 -5.655 -4.327 6.150 1.00 0.00 O ATOM 857 CB ALA A 63 -3.512 -1.791 6.374 1.00 0.00 C ATOM 0 H ALA A 63 -3.440 -4.834 6.067 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.695 -2.908 8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.169 -0.987 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.476 -1.521 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.641 -1.946 5.303 1.00 0.00 H new ATOM 863 N SER A 64 -6.192 -2.699 7.608 1.00 0.00 N ATOM 864 CA SER A 64 -7.628 -2.926 7.513 1.00 0.00 C ATOM 865 C SER A 64 -8.392 -1.793 8.183 1.00 0.00 C ATOM 866 O SER A 64 -8.065 -1.392 9.299 1.00 0.00 O ATOM 867 CB SER A 64 -8.003 -4.263 8.155 1.00 0.00 C ATOM 868 OG SER A 64 -7.129 -4.579 9.225 1.00 0.00 O ATOM 0 H SER A 64 -5.926 -1.947 8.244 1.00 0.00 H new ATOM 0 HA SER A 64 -7.900 -2.956 6.458 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.029 -4.219 8.520 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.965 -5.053 7.405 1.00 0.00 H new ATOM 0 HG SER A 64 -6.509 -5.284 8.944 1.00 0.00 H new ATOM 874 N ALA A 65 -9.404 -1.271 7.499 1.00 0.00 N ATOM 875 CA ALA A 65 -10.192 -0.174 8.050 1.00 0.00 C ATOM 876 C ALA A 65 -11.607 -0.144 7.481 1.00 0.00 C ATOM 877 O ALA A 65 -11.829 -0.459 6.311 1.00 0.00 O ATOM 878 CB ALA A 65 -9.494 1.153 7.789 1.00 0.00 C ATOM 0 H ALA A 65 -9.696 -1.585 6.573 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.275 -0.337 9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.090 1.966 8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.511 1.146 8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.380 1.299 6.715 1.00 0.00 H new ATOM 884 N THR A 66 -12.557 0.256 8.326 1.00 0.00 N ATOM 885 CA THR A 66 -13.959 0.357 7.934 1.00 0.00 C ATOM 886 C THR A 66 -14.470 1.770 8.172 1.00 0.00 C ATOM 887 O THR A 66 -14.489 2.244 9.309 1.00 0.00 O ATOM 888 CB THR A 66 -14.814 -0.634 8.726 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.261 -1.935 8.676 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.244 -0.715 8.230 1.00 0.00 C ATOM 0 H THR A 66 -12.376 0.517 9.295 1.00 0.00 H new ATOM 0 HA THR A 66 -14.033 0.119 6.873 1.00 0.00 H new ATOM 0 HB THR A 66 -14.821 -0.256 9.748 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.824 -2.550 9.191 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.798 -1.435 8.833 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.714 0.265 8.312 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.250 -1.034 7.188 1.00 0.00 H new ATOM 895 N SER A 67 -14.880 2.445 7.106 1.00 0.00 N ATOM 896 CA SER A 67 -15.383 3.809 7.233 1.00 0.00 C ATOM 897 C SER A 67 -16.593 4.028 6.339 1.00 0.00 C ATOM 898 O SER A 67 -17.008 3.132 5.613 1.00 0.00 O ATOM 899 CB SER A 67 -14.285 4.815 6.879 1.00 0.00 C ATOM 900 OG SER A 67 -13.812 5.482 8.037 1.00 0.00 O ATOM 0 H SER A 67 -14.875 2.077 6.155 1.00 0.00 H new ATOM 0 HA SER A 67 -15.687 3.961 8.269 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.459 4.299 6.390 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.672 5.545 6.167 1.00 0.00 H new ATOM 0 HG SER A 67 -13.110 6.118 7.785 1.00 0.00 H new ATOM 906 N ASP A 68 -17.151 5.229 6.391 1.00 0.00 N ATOM 907 CA ASP A 68 -18.309 5.560 5.575 1.00 0.00 C ATOM 908 C ASP A 68 -17.876 6.265 4.296 1.00 0.00 C ATOM 909 O ASP A 68 -18.617 7.075 3.742 1.00 0.00 O ATOM 910 CB ASP A 68 -19.280 6.443 6.360 1.00 0.00 C ATOM 911 CG ASP A 68 -20.726 6.035 6.156 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.022 4.827 6.262 1.00 0.00 O ATOM 913 OD2 ASP A 68 -21.563 6.925 5.891 1.00 0.00 O ATOM 0 H ASP A 68 -16.822 5.988 6.988 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.817 4.633 5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.037 6.391 7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.152 7.481 6.054 1.00 0.00 H new ATOM 918 N ASP A 69 -16.665 5.959 3.832 1.00 0.00 N ATOM 919 CA ASP A 69 -16.143 6.576 2.621 1.00 0.00 C ATOM 920 C ASP A 69 -15.131 5.677 1.913 1.00 0.00 C ATOM 921 O ASP A 69 -14.036 5.434 2.414 1.00 0.00 O ATOM 922 CB ASP A 69 -15.499 7.923 2.953 1.00 0.00 C ATOM 923 CG ASP A 69 -16.471 9.078 2.819 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.353 9.217 3.692 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.352 9.844 1.839 1.00 0.00 O ATOM 0 H ASP A 69 -16.033 5.292 4.275 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.983 6.728 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.110 7.895 3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.649 8.089 2.291 1.00 0.00 H new ATOM 930 N MET A 70 -15.521 5.200 0.739 1.00 0.00 N ATOM 931 CA MET A 70 -14.694 4.331 -0.093 1.00 0.00 C ATOM 932 C MET A 70 -13.216 4.741 -0.092 1.00 0.00 C ATOM 933 O MET A 70 -12.355 4.041 0.464 1.00 0.00 O ATOM 934 CB MET A 70 -15.246 4.386 -1.524 1.00 0.00 C ATOM 935 CG MET A 70 -14.370 3.726 -2.577 1.00 0.00 C ATOM 936 SD MET A 70 -14.879 2.040 -2.937 1.00 0.00 S ATOM 937 CE MET A 70 -13.482 1.153 -2.268 1.00 0.00 C ATOM 0 H MET A 70 -16.432 5.407 0.331 1.00 0.00 H new ATOM 0 HA MET A 70 -14.736 3.321 0.314 1.00 0.00 H new ATOM 0 HB2 MET A 70 -16.226 3.909 -1.538 1.00 0.00 H new ATOM 0 HB3 MET A 70 -15.395 5.430 -1.800 1.00 0.00 H new ATOM 0 HG2 MET A 70 -14.402 4.315 -3.493 1.00 0.00 H new ATOM 0 HG3 MET A 70 -13.335 3.725 -2.235 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.464 0.142 -2.675 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.560 1.669 -2.537 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.567 1.106 -1.182 1.00 0.00 H new ATOM 947 N TYR A 71 -12.925 5.858 -0.744 1.00 0.00 N ATOM 948 CA TYR A 71 -11.556 6.337 -0.856 1.00 0.00 C ATOM 949 C TYR A 71 -10.998 6.805 0.471 1.00 0.00 C ATOM 950 O TYR A 71 -9.787 6.793 0.660 1.00 0.00 O ATOM 951 CB TYR A 71 -11.449 7.409 -1.938 1.00 0.00 C ATOM 952 CG TYR A 71 -11.191 6.806 -3.305 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.442 5.456 -3.539 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.687 7.567 -4.352 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.205 4.883 -4.765 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.448 6.998 -5.591 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.709 5.657 -5.793 1.00 0.00 C ATOM 958 OH TYR A 71 -10.475 5.091 -7.024 1.00 0.00 O ATOM 0 H TYR A 71 -13.619 6.449 -1.203 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.935 5.494 -1.159 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.370 7.991 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.643 8.099 -1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.832 4.845 -2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.479 8.615 -4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.406 3.834 -4.923 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.058 7.601 -6.398 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.127 5.772 -7.637 1.00 0.00 H new ATOM 968 N LYS A 72 -11.868 7.165 1.406 1.00 0.00 N ATOM 969 CA LYS A 72 -11.408 7.568 2.726 1.00 0.00 C ATOM 970 C LYS A 72 -10.963 6.323 3.479 1.00 0.00 C ATOM 971 O LYS A 72 -9.974 6.338 4.207 1.00 0.00 O ATOM 972 CB LYS A 72 -12.498 8.265 3.497 1.00 0.00 C ATOM 973 CG LYS A 72 -12.012 8.947 4.767 1.00 0.00 C ATOM 974 CD LYS A 72 -11.794 10.436 4.550 1.00 0.00 C ATOM 975 CE LYS A 72 -11.825 11.201 5.863 1.00 0.00 C ATOM 976 NZ LYS A 72 -12.496 12.522 5.721 1.00 0.00 N ATOM 0 H LYS A 72 -12.880 7.186 1.278 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.580 8.268 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.967 9.009 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.268 7.538 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.741 8.797 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.081 8.486 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.835 10.596 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.564 10.824 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.345 10.609 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.806 11.348 6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.496 13.012 6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.985 13.097 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.476 12.381 5.404 1.00 0.00 H new ATOM 990 N ALA A 73 -11.687 5.224 3.255 1.00 0.00 N ATOM 991 CA ALA A 73 -11.348 3.948 3.863 1.00 0.00 C ATOM 992 C ALA A 73 -9.991 3.549 3.331 1.00 0.00 C ATOM 993 O ALA A 73 -9.064 3.245 4.086 1.00 0.00 O ATOM 994 CB ALA A 73 -12.393 2.893 3.535 1.00 0.00 C ATOM 0 H ALA A 73 -12.512 5.198 2.655 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.323 4.036 4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.115 1.948 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.364 3.213 3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.450 2.761 2.455 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.866 3.637 2.009 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.601 3.372 1.349 1.00 0.00 C ATOM 1002 C ILE A 74 -7.604 4.404 1.861 1.00 0.00 C ATOM 1003 O ILE A 74 -6.431 4.111 2.111 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.761 3.469 -0.187 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.300 2.149 -0.729 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.454 3.832 -0.877 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.628 2.283 -1.430 1.00 0.00 C ATOM 0 H ILE A 74 -10.627 3.890 1.379 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.251 2.364 1.570 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.468 4.270 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.573 1.727 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.403 1.442 0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.614 3.889 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.105 4.798 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.705 3.070 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.950 1.306 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.369 2.676 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.526 2.965 -2.275 1.00 0.00 H new ATOM 1011 N ASN A 75 -8.130 5.612 2.058 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.381 6.730 2.588 1.00 0.00 C ATOM 1013 C ASN A 75 -6.807 6.357 3.949 1.00 0.00 C ATOM 1014 O ASN A 75 -5.653 6.653 4.260 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.332 7.925 2.695 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.652 9.237 2.419 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.935 9.777 3.261 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.878 9.754 1.224 1.00 0.00 N ATOM 0 H ASN A 75 -9.103 5.836 1.848 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.547 6.989 1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.155 7.793 1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.767 7.949 3.694 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.449 10.642 0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.481 9.265 0.563 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.630 5.682 4.743 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.230 5.227 6.067 1.00 0.00 C ATOM 1025 C GLU A 76 -6.198 4.104 5.952 1.00 0.00 C ATOM 1026 O GLU A 76 -5.105 4.185 6.522 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.459 4.739 6.841 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.615 5.387 8.206 1.00 0.00 C ATOM 1029 CD GLU A 76 -7.638 4.838 9.228 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -6.419 4.861 8.954 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -8.090 4.387 10.301 1.00 0.00 O ATOM 0 H GLU A 76 -8.587 5.437 4.489 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.778 6.059 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.353 4.938 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.393 3.658 6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.470 6.463 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.633 5.233 8.563 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.548 3.058 5.200 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.648 1.928 5.000 1.00 0.00 C ATOM 1040 C VAL A 77 -4.266 2.409 4.606 1.00 0.00 C ATOM 1041 O VAL A 77 -3.263 2.041 5.221 1.00 0.00 O ATOM 1042 CB VAL A 77 -6.151 0.979 3.900 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.361 -0.322 3.916 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.634 0.715 4.059 1.00 0.00 C ATOM 0 H VAL A 77 -7.445 2.973 4.723 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.611 1.391 5.948 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.996 1.458 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.731 -0.982 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.306 -0.109 3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.480 -0.808 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.970 0.041 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.820 0.258 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.180 1.656 3.990 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.219 3.244 3.571 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.956 3.779 3.098 1.00 0.00 C ATOM 1050 C GLU A 78 -2.203 4.424 4.251 1.00 0.00 C ATOM 1051 O GLU A 78 -0.980 4.320 4.341 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.180 4.789 1.968 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.897 5.435 1.465 1.00 0.00 C ATOM 1054 CD GLU A 78 -2.034 6.932 1.274 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -2.786 7.564 2.047 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -1.389 7.475 0.353 1.00 0.00 O ATOM 0 H GLU A 78 -5.037 3.560 3.050 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.358 2.959 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.675 4.287 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.857 5.569 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.092 5.235 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.611 4.976 0.519 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.944 5.065 5.149 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.339 5.691 6.310 1.00 0.00 C ATOM 1065 C GLU A 79 -1.756 4.614 7.207 1.00 0.00 C ATOM 1066 O GLU A 79 -0.675 4.778 7.771 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.367 6.531 7.073 1.00 0.00 C ATOM 1068 CG GLU A 79 -3.174 8.029 6.906 1.00 0.00 C ATOM 1069 CD GLU A 79 -3.101 8.762 8.231 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -2.078 8.616 8.935 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -4.067 9.478 8.567 1.00 0.00 O ATOM 0 H GLU A 79 -3.958 5.162 5.093 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.543 6.360 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.367 6.262 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.312 6.282 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.259 8.213 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.997 8.434 6.317 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.465 3.492 7.304 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.993 2.369 8.101 1.00 0.00 C ATOM 1080 C LYS A 80 -0.702 1.836 7.496 1.00 0.00 C ATOM 1081 O LYS A 80 0.362 1.893 8.115 1.00 0.00 O ATOM 1082 CB LYS A 80 -3.042 1.255 8.145 1.00 0.00 C ATOM 1083 CG LYS A 80 -4.374 1.694 8.733 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.849 0.740 9.817 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.491 1.249 11.203 1.00 0.00 C ATOM 1086 NZ LYS A 80 -3.170 0.738 11.660 1.00 0.00 N ATOM 0 H LYS A 80 -3.362 3.339 6.843 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.813 2.710 9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.206 0.882 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.652 0.423 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.276 2.697 9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.122 1.748 7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.929 0.612 9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.401 -0.241 9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.476 2.339 11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.262 0.945 11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.964 1.109 12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.192 -0.301 11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.430 1.049 10.999 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.810 1.334 6.269 1.00 0.00 N ATOM 1101 CA LEU A 81 0.341 0.798 5.548 1.00 0.00 C ATOM 1102 C LEU A 81 1.506 1.788 5.573 1.00 0.00 C ATOM 1103 O LEU A 81 2.649 1.404 5.834 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.046 0.456 4.098 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.133 -1.039 3.758 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.191 -1.536 3.203 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.546 -1.863 4.971 1.00 0.00 C ATOM 0 H LEU A 81 -1.687 1.287 5.751 1.00 0.00 H new ATOM 0 HA LEU A 81 0.662 -0.117 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.012 0.914 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.681 0.918 3.430 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.902 -1.162 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.111 -2.597 2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.437 -0.981 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.975 -1.387 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.598 -2.916 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.187 -1.732 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.524 -1.531 5.321 1.00 0.00 H new ATOM 1113 N GLU A 82 1.219 3.068 5.323 1.00 0.00 N ATOM 1114 CA GLU A 82 2.263 4.087 5.342 1.00 0.00 C ATOM 1115 C GLU A 82 2.844 4.212 6.745 1.00 0.00 C ATOM 1116 O GLU A 82 4.064 4.238 6.927 1.00 0.00 O ATOM 1117 CB GLU A 82 1.711 5.433 4.878 1.00 0.00 C ATOM 1118 CG GLU A 82 2.764 6.346 4.278 1.00 0.00 C ATOM 1119 CD GLU A 82 2.243 7.138 3.094 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.063 6.540 2.012 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.013 8.356 3.249 1.00 0.00 O ATOM 0 H GLU A 82 0.285 3.417 5.108 1.00 0.00 H new ATOM 0 HA GLU A 82 3.054 3.786 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.928 5.260 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.245 5.937 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.120 7.036 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.620 5.749 3.963 1.00 0.00 H new ATOM 1128 N ARG A 83 1.962 4.269 7.739 1.00 0.00 N ATOM 1129 CA ARG A 83 2.389 4.368 9.130 1.00 0.00 C ATOM 1130 C ARG A 83 3.340 3.223 9.460 1.00 0.00 C ATOM 1131 O ARG A 83 4.446 3.439 9.966 1.00 0.00 O ATOM 1132 CB ARG A 83 1.178 4.331 10.068 1.00 0.00 C ATOM 1133 CG ARG A 83 0.767 5.701 10.585 1.00 0.00 C ATOM 1134 CD ARG A 83 -0.053 5.590 11.861 1.00 0.00 C ATOM 1135 NE ARG A 83 0.779 5.282 13.022 1.00 0.00 N ATOM 1136 CZ ARG A 83 0.304 5.148 14.259 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -0.993 5.292 14.499 1.00 0.00 N ATOM 1138 NH2 ARG A 83 1.130 4.868 15.258 1.00 0.00 N ATOM 0 H ARG A 83 0.951 4.248 7.607 1.00 0.00 H new ATOM 0 HA ARG A 83 2.906 5.317 9.271 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.335 3.882 9.542 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.405 3.685 10.916 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.656 6.302 10.774 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.187 6.220 9.822 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.583 6.526 12.033 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.808 4.813 11.740 1.00 0.00 H new ATOM 0 HE ARG A 83 1.782 5.163 12.877 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.632 5.507 13.734 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.351 5.188 15.449 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.128 4.756 15.079 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.768 4.765 16.206 1.00 0.00 H new ATOM 1152 N GLN A 84 2.912 2.003 9.142 1.00 0.00 N ATOM 1153 CA GLN A 84 3.742 0.830 9.382 1.00 0.00 C ATOM 1154 C GLN A 84 5.048 0.979 8.613 1.00 0.00 C ATOM 1155 O GLN A 84 6.128 0.732 9.147 1.00 0.00 O ATOM 1156 CB GLN A 84 3.034 -0.467 8.968 1.00 0.00 C ATOM 1157 CG GLN A 84 1.516 -0.387 8.976 1.00 0.00 C ATOM 1158 CD GLN A 84 0.862 -1.672 9.442 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.536 -2.669 9.701 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.462 -1.653 9.551 1.00 0.00 N ATOM 0 H GLN A 84 2.004 1.804 8.722 1.00 0.00 H new ATOM 0 HA GLN A 84 3.940 0.764 10.452 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.365 -0.743 7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.347 -1.267 9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.203 0.431 9.626 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.164 -0.149 7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.980 -0.804 9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.960 -2.488 9.860 1.00 0.00 H new ATOM 1167 N LEU A 85 4.938 1.424 7.357 1.00 0.00 N ATOM 1168 CA LEU A 85 6.114 1.648 6.521 1.00 0.00 C ATOM 1169 C LEU A 85 7.111 2.512 7.281 1.00 0.00 C ATOM 1170 O LEU A 85 8.274 2.135 7.476 1.00 0.00 O ATOM 1171 CB LEU A 85 5.716 2.341 5.214 1.00 0.00 C ATOM 1172 CG LEU A 85 5.535 1.417 4.010 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.506 1.998 3.050 1.00 0.00 C ATOM 1174 CD2 LEU A 85 6.867 1.195 3.304 1.00 0.00 C ATOM 0 H LEU A 85 4.050 1.634 6.902 1.00 0.00 H new ATOM 0 HA LEU A 85 6.569 0.688 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.784 2.882 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.476 3.083 4.970 1.00 0.00 H new ATOM 0 HG LEU A 85 5.171 0.452 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.387 1.330 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.550 2.106 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.843 2.974 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.720 0.535 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.261 2.152 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.575 0.739 3.997 1.00 0.00 H new ATOM 1180 N ASN A 86 6.628 3.667 7.739 1.00 0.00 N ATOM 1181 CA ASN A 86 7.450 4.580 8.513 1.00 0.00 C ATOM 1182 C ASN A 86 8.004 3.846 9.726 1.00 0.00 C ATOM 1183 O ASN A 86 9.132 4.089 10.154 1.00 0.00 O ATOM 1184 CB ASN A 86 6.633 5.800 8.949 1.00 0.00 C ATOM 1185 CG ASN A 86 7.510 6.962 9.369 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.650 7.088 8.923 1.00 0.00 O ATOM 1187 ND2 ASN A 86 6.979 7.822 10.231 1.00 0.00 N ATOM 0 H ASN A 86 5.672 3.987 7.584 1.00 0.00 H new ATOM 0 HA ASN A 86 8.277 4.933 7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.987 6.114 8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.983 5.521 9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.521 8.626 10.549 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.030 7.679 10.575 1.00 0.00 H new ATOM 1192 N LYS A 87 7.209 2.916 10.252 1.00 0.00 N ATOM 1193 CA LYS A 87 7.630 2.113 11.390 1.00 0.00 C ATOM 1194 C LYS A 87 8.816 1.249 10.993 1.00 0.00 C ATOM 1195 O LYS A 87 9.851 1.250 11.656 1.00 0.00 O ATOM 1196 CB LYS A 87 6.489 1.219 11.873 1.00 0.00 C ATOM 1197 CG LYS A 87 6.160 1.392 13.348 1.00 0.00 C ATOM 1198 CD LYS A 87 6.606 0.188 14.166 1.00 0.00 C ATOM 1199 CE LYS A 87 7.352 0.613 15.421 1.00 0.00 C ATOM 1200 NZ LYS A 87 8.657 1.254 15.101 1.00 0.00 N ATOM 0 H LYS A 87 6.273 2.703 9.907 1.00 0.00 H new ATOM 0 HA LYS A 87 7.915 2.784 12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.597 1.432 11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.752 0.177 11.688 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.647 2.291 13.727 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.086 1.536 13.468 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.736 -0.408 14.443 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.248 -0.449 13.558 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.736 1.308 15.991 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.521 -0.257 16.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.280 1.207 15.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.103 0.755 14.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.501 2.249 14.842 1.00 0.00 H new ATOM 1214 N LEU A 88 8.657 0.512 9.894 1.00 0.00 N ATOM 1215 CA LEU A 88 9.720 -0.351 9.400 1.00 0.00 C ATOM 1216 C LEU A 88 10.998 0.451 9.226 1.00 0.00 C ATOM 1217 O LEU A 88 12.044 0.116 9.783 1.00 0.00 O ATOM 1218 CB LEU A 88 9.336 -0.989 8.061 1.00 0.00 C ATOM 1219 CG LEU A 88 7.945 -1.619 8.003 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.731 -2.324 6.671 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.758 -2.589 9.154 1.00 0.00 C ATOM 0 H LEU A 88 7.805 0.498 9.334 1.00 0.00 H new ATOM 0 HA LEU A 88 9.877 -1.144 10.131 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.403 -0.227 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.072 -1.756 7.820 1.00 0.00 H new ATOM 0 HG LEU A 88 7.203 -0.826 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.735 -2.766 6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.826 -1.604 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.479 -3.108 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.763 -3.030 9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.508 -3.377 9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.868 -2.058 10.099 1.00 0.00 H new ATOM 1227 N GLN A 89 10.896 1.523 8.451 1.00 0.00 N ATOM 1228 CA GLN A 89 12.042 2.392 8.202 1.00 0.00 C ATOM 1229 C GLN A 89 12.536 3.016 9.504 1.00 0.00 C ATOM 1230 O GLN A 89 13.705 3.379 9.625 1.00 0.00 O ATOM 1231 CB GLN A 89 11.676 3.487 7.198 1.00 0.00 C ATOM 1232 CG GLN A 89 11.270 2.944 5.839 1.00 0.00 C ATOM 1233 CD GLN A 89 9.987 3.550 5.324 1.00 0.00 C ATOM 1234 OE1 GLN A 89 9.382 4.405 5.969 1.00 0.00 O ATOM 1235 NE2 GLN A 89 9.568 3.104 4.153 1.00 0.00 N ATOM 0 H GLN A 89 10.036 1.812 7.985 1.00 0.00 H new ATOM 0 HA GLN A 89 12.844 1.786 7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.858 4.083 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.527 4.157 7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.069 3.136 5.123 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.154 1.862 5.905 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.105 2.393 3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.707 3.470 3.746 1.00 0.00 H new ATOM 1242 N HIS A 90 11.637 3.130 10.479 1.00 0.00 N ATOM 1243 CA HIS A 90 11.980 3.700 11.777 1.00 0.00 C ATOM 1244 C HIS A 90 12.686 2.670 12.646 1.00 0.00 C ATOM 1245 O HIS A 90 13.883 2.776 12.912 1.00 0.00 O ATOM 1246 CB HIS A 90 10.719 4.192 12.489 1.00 0.00 C ATOM 1247 CG HIS A 90 10.307 5.576 12.094 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.970 6.316 11.138 1.00 0.00 N ATOM 1249 CD2 HIS A 90 9.291 6.357 12.534 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.381 7.491 11.007 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.360 7.541 11.842 1.00 0.00 N ATOM 0 H HIS A 90 10.665 2.834 10.393 1.00 0.00 H new ATOM 0 HA HIS A 90 12.652 4.542 11.611 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.901 3.504 12.277 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.886 4.165 13.566 1.00 0.00 H new ATOM 0 HD1 HIS A 90 11.788 6.005 10.614 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.563 6.097 13.288 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.683 8.277 10.331 1.00 0.00 H new