USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 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 51 TYR OH : rot 180:sc= 0.566 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.625 K(o=1.2,f=-0.16) USER MOD Set 2.1: A 57 ASN : amide:sc= 0.107 K(o=0.11,f=-3!) USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 GLN : amide:sc= 0.914 K(o=2,f=-3.8!) USER MOD Set 3.2: A 37 LYS NZ :NH3+ 173:sc= 1.07 (180deg=0) USER MOD Set 4.1: A 7 THR OG1 : rot -21:sc= 1.01 USER MOD Set 4.2: A 17 LYS NZ :NH3+ 179:sc= 1.18 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.944 (180deg=0.0791) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.5!) USER MOD Single : A 4 MET CE :methyl -168:sc= 0 (180deg=-0.134) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -170:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.032) USER MOD Single : A 13 GLN : amide:sc= 0.743 K(o=0.74,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 143:sc= 0.00438 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 0.794 (180deg=0.184) USER MOD Single : A 32 LYS NZ :NH3+ 142:sc= 1.24 (180deg=0.446) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.02) USER MOD Single : A 47 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= 0.982 (180deg=0.875) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.18) USER MOD Single : A 65 TYR OH : rot 158:sc= 0.564 USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0.478 (180deg=0.454) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00126) USER MOD Single : A 76 MET CE :methyl -174:sc= 0 (180deg=-0.0456) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 37:sc= 0.0249 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.873 -16.522 2.250 1.00 10.00 N ATOM 2 CA GLY A 1 -6.414 -17.220 1.032 1.00 10.00 C ATOM 3 C GLY A 1 -7.412 -17.083 -0.107 1.00 10.00 C ATOM 4 O GLY A 1 -8.119 -18.041 -0.427 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.246 -15.715 2.445 1.00 10.00 H new ATOM 0 H2 GLY A 1 -7.845 -16.179 2.108 1.00 10.00 H new ATOM 0 H3 GLY A 1 -6.852 -17.179 3.056 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -5.451 -16.815 0.722 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -6.259 -18.276 1.255 1.00 10.00 H new ATOM 10 N SER A 2 -7.487 -15.899 -0.718 1.00 10.00 N ATOM 11 CA SER A 2 -8.413 -15.558 -1.816 1.00 10.00 C ATOM 12 C SER A 2 -7.973 -14.358 -2.674 1.00 10.00 C ATOM 13 O SER A 2 -8.361 -14.288 -3.843 1.00 10.00 O ATOM 14 CB SER A 2 -9.810 -15.258 -1.247 1.00 10.00 C ATOM 15 OG SER A 2 -9.757 -14.208 -0.289 1.00 10.00 O ATOM 0 H SER A 2 -6.885 -15.118 -0.457 1.00 10.00 H new ATOM 0 HA SER A 2 -8.419 -16.431 -2.469 1.00 10.00 H new ATOM 0 HB2 SER A 2 -10.485 -14.982 -2.057 1.00 10.00 H new ATOM 0 HB3 SER A 2 -10.219 -16.156 -0.784 1.00 10.00 H new ATOM 0 HG SER A 2 -10.657 -14.035 0.057 1.00 10.00 H new ATOM 21 N HIS A 3 -7.140 -13.456 -2.130 1.00 10.00 N ATOM 22 CA HIS A 3 -6.752 -12.147 -2.690 1.00 10.00 C ATOM 23 C HIS A 3 -7.904 -11.153 -2.972 1.00 10.00 C ATOM 24 O HIS A 3 -9.021 -11.515 -3.355 1.00 10.00 O ATOM 25 CB HIS A 3 -5.789 -12.302 -3.886 1.00 10.00 C ATOM 26 CG HIS A 3 -4.346 -12.550 -3.506 1.00 10.00 C ATOM 27 ND1 HIS A 3 -3.248 -12.050 -4.171 1.00 10.00 N ATOM 28 CD2 HIS A 3 -3.867 -13.288 -2.455 1.00 10.00 C ATOM 29 CE1 HIS A 3 -2.140 -12.467 -3.541 1.00 10.00 C ATOM 30 NE2 HIS A 3 -2.466 -13.225 -2.478 1.00 10.00 N ATOM 0 H HIS A 3 -6.690 -13.630 -1.231 1.00 10.00 H new ATOM 0 HA HIS A 3 -6.212 -11.661 -1.877 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -6.134 -13.128 -4.508 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -5.840 -11.400 -4.496 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -3.274 -11.461 -5.003 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -4.465 -13.825 -1.734 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -1.131 -12.229 -3.843 1.00 10.00 H new ATOM 38 N MET A 4 -7.599 -9.864 -2.804 1.00 10.00 N ATOM 39 CA MET A 4 -8.409 -8.718 -3.243 1.00 10.00 C ATOM 40 C MET A 4 -7.497 -7.613 -3.790 1.00 10.00 C ATOM 41 O MET A 4 -6.305 -7.577 -3.469 1.00 10.00 O ATOM 42 CB MET A 4 -9.290 -8.197 -2.094 1.00 10.00 C ATOM 43 CG MET A 4 -8.501 -7.505 -0.974 1.00 10.00 C ATOM 44 SD MET A 4 -9.536 -6.875 0.374 1.00 10.00 S ATOM 45 CE MET A 4 -8.324 -5.793 1.176 1.00 10.00 C ATOM 0 H MET A 4 -6.740 -9.574 -2.336 1.00 10.00 H new ATOM 0 HA MET A 4 -9.075 -9.043 -4.043 1.00 10.00 H new ATOM 0 HB2 MET A 4 -10.021 -7.496 -2.498 1.00 10.00 H new ATOM 0 HB3 MET A 4 -9.849 -9.031 -1.670 1.00 10.00 H new ATOM 0 HG2 MET A 4 -7.777 -8.210 -0.564 1.00 10.00 H new ATOM 0 HG3 MET A 4 -7.934 -6.678 -1.400 1.00 10.00 H new ATOM 0 HE1 MET A 4 -8.704 -5.478 2.148 1.00 10.00 H new ATOM 0 HE2 MET A 4 -7.387 -6.333 1.310 1.00 10.00 H new ATOM 0 HE3 MET A 4 -8.151 -4.916 0.553 1.00 10.00 H new ATOM 55 N GLN A 5 -8.044 -6.695 -4.587 1.00 10.00 N ATOM 56 CA GLN A 5 -7.263 -5.640 -5.239 1.00 10.00 C ATOM 57 C GLN A 5 -7.348 -4.288 -4.509 1.00 10.00 C ATOM 58 O GLN A 5 -8.363 -3.965 -3.891 1.00 10.00 O ATOM 59 CB GLN A 5 -7.666 -5.467 -6.710 1.00 10.00 C ATOM 60 CG GLN A 5 -7.771 -6.773 -7.513 1.00 10.00 C ATOM 61 CD GLN A 5 -7.955 -6.493 -9.005 1.00 10.00 C ATOM 62 OE1 GLN A 5 -9.059 -6.446 -9.530 1.00 10.00 O ATOM 63 NE2 GLN A 5 -6.885 -6.285 -9.746 1.00 10.00 N ATOM 0 H GLN A 5 -9.041 -6.661 -4.800 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.226 -5.971 -5.191 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -8.628 -4.955 -6.750 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -6.939 -4.817 -7.196 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -6.872 -7.370 -7.361 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -8.611 -7.363 -7.145 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -5.957 -6.321 -9.324 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -6.985 -6.088 -10.742 1.00 10.00 H new ATOM 72 N VAL A 6 -6.292 -3.472 -4.613 1.00 10.00 N ATOM 73 CA VAL A 6 -6.224 -2.107 -4.068 1.00 10.00 C ATOM 74 C VAL A 6 -5.527 -1.197 -5.093 1.00 10.00 C ATOM 75 O VAL A 6 -4.649 -1.634 -5.843 1.00 10.00 O ATOM 76 CB VAL A 6 -5.498 -2.081 -2.699 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.657 -0.719 -2.011 1.00 10.00 C ATOM 78 CG2 VAL A 6 -6.038 -3.113 -1.689 1.00 10.00 C ATOM 0 H VAL A 6 -5.435 -3.750 -5.092 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.234 -1.739 -3.891 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.461 -2.308 -2.947 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -5.137 -0.732 -1.053 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -5.232 0.060 -2.644 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.715 -0.516 -1.846 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.481 -3.035 -0.756 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -7.094 -2.918 -1.499 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -5.922 -4.117 -2.097 1.00 10.00 H new ATOM 88 N THR A 7 -5.923 0.075 -5.138 1.00 10.00 N ATOM 89 CA THR A 7 -5.451 1.087 -6.100 1.00 10.00 C ATOM 90 C THR A 7 -4.579 2.093 -5.359 1.00 10.00 C ATOM 91 O THR A 7 -5.022 2.666 -4.365 1.00 10.00 O ATOM 92 CB THR A 7 -6.652 1.795 -6.740 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.470 0.845 -7.388 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.258 2.835 -7.784 1.00 10.00 C ATOM 0 H THR A 7 -6.608 0.450 -4.482 1.00 10.00 H new ATOM 0 HA THR A 7 -4.870 0.611 -6.890 1.00 10.00 H new ATOM 0 HB THR A 7 -7.169 2.303 -5.926 1.00 10.00 H new ATOM 0 HG1 THR A 7 -6.947 0.038 -7.578 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.156 3.296 -8.195 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.638 3.601 -7.319 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.699 2.352 -8.585 1.00 10.00 H new ATOM 102 N LEU A 8 -3.327 2.280 -5.775 1.00 10.00 N ATOM 103 CA LEU A 8 -2.301 2.976 -4.988 1.00 10.00 C ATOM 104 C LEU A 8 -1.773 4.182 -5.753 1.00 10.00 C ATOM 105 O LEU A 8 -1.290 4.005 -6.871 1.00 10.00 O ATOM 106 CB LEU A 8 -1.103 2.054 -4.689 1.00 10.00 C ATOM 107 CG LEU A 8 -1.379 0.603 -4.288 1.00 10.00 C ATOM 108 CD1 LEU A 8 -0.088 0.017 -3.735 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.410 0.467 -3.176 1.00 10.00 C ATOM 0 H LEU A 8 -2.989 1.950 -6.679 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.771 3.286 -4.055 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.468 2.038 -5.575 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.522 2.514 -3.889 1.00 10.00 H new ATOM 0 HG LEU A 8 -1.755 0.097 -5.177 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.256 -1.019 -3.440 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.687 0.056 -4.501 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.231 0.594 -2.867 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.556 -0.588 -2.943 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -2.057 0.990 -2.287 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.355 0.901 -3.501 1.00 10.00 H new ATOM 121 N LYS A 9 -1.804 5.373 -5.151 1.00 10.00 N ATOM 122 CA LYS A 9 -1.169 6.589 -5.681 1.00 10.00 C ATOM 123 C LYS A 9 0.002 7.045 -4.805 1.00 10.00 C ATOM 124 O LYS A 9 0.230 6.498 -3.727 1.00 10.00 O ATOM 125 CB LYS A 9 -2.204 7.691 -5.964 1.00 10.00 C ATOM 126 CG LYS A 9 -2.741 8.368 -4.701 1.00 10.00 C ATOM 127 CD LYS A 9 -3.881 9.354 -4.999 1.00 10.00 C ATOM 128 CE LYS A 9 -3.442 10.518 -5.897 1.00 10.00 C ATOM 129 NZ LYS A 9 -4.554 11.475 -6.133 1.00 10.00 N ATOM 0 H LYS A 9 -2.281 5.526 -4.262 1.00 10.00 H new ATOM 0 HA LYS A 9 -0.729 6.347 -6.648 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -1.751 8.446 -6.606 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -3.038 7.260 -6.518 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.097 7.606 -4.008 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -1.928 8.897 -4.203 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -4.701 8.820 -5.479 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -4.266 9.751 -4.060 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -2.604 11.040 -5.434 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -3.087 10.129 -6.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -4.222 12.249 -6.744 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -5.344 10.982 -6.597 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -4.875 11.865 -5.224 1.00 10.00 H new ATOM 143 N THR A 10 0.755 8.047 -5.251 1.00 10.00 N ATOM 144 CA THR A 10 2.041 8.430 -4.643 1.00 10.00 C ATOM 145 C THR A 10 2.221 9.947 -4.549 1.00 10.00 C ATOM 146 O THR A 10 1.513 10.716 -5.206 1.00 10.00 O ATOM 147 CB THR A 10 3.207 7.841 -5.460 1.00 10.00 C ATOM 148 OG1 THR A 10 3.229 8.430 -6.743 1.00 10.00 O ATOM 149 CG2 THR A 10 3.117 6.327 -5.656 1.00 10.00 C ATOM 0 H THR A 10 0.494 8.625 -6.050 1.00 10.00 H new ATOM 0 HA THR A 10 2.039 8.029 -3.629 1.00 10.00 H new ATOM 0 HB THR A 10 4.110 8.056 -4.888 1.00 10.00 H new ATOM 0 HG1 THR A 10 3.864 7.948 -7.313 1.00 10.00 H new ATOM 0 HG21 THR A 10 3.971 5.984 -6.240 1.00 10.00 H new ATOM 0 HG22 THR A 10 3.120 5.833 -4.684 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.195 6.083 -6.184 1.00 10.00 H new ATOM 157 N LEU A 11 3.229 10.395 -3.790 1.00 10.00 N ATOM 158 CA LEU A 11 3.721 11.784 -3.811 1.00 10.00 C ATOM 159 C LEU A 11 4.231 12.206 -5.208 1.00 10.00 C ATOM 160 O LEU A 11 4.176 13.387 -5.559 1.00 10.00 O ATOM 161 CB LEU A 11 4.826 11.957 -2.746 1.00 10.00 C ATOM 162 CG LEU A 11 4.318 12.283 -1.327 1.00 10.00 C ATOM 163 CD1 LEU A 11 3.383 11.224 -0.738 1.00 10.00 C ATOM 164 CD2 LEU A 11 5.510 12.428 -0.378 1.00 10.00 C ATOM 0 H LEU A 11 3.734 9.798 -3.135 1.00 10.00 H new ATOM 0 HA LEU A 11 2.883 12.440 -3.576 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.415 11.041 -2.703 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.498 12.753 -3.067 1.00 10.00 H new ATOM 0 HG LEU A 11 3.749 13.208 -1.424 1.00 10.00 H new ATOM 0 HD11 LEU A 11 3.071 11.529 0.261 1.00 10.00 H new ATOM 0 HD12 LEU A 11 2.505 11.118 -1.376 1.00 10.00 H new ATOM 0 HD13 LEU A 11 3.906 10.269 -0.679 1.00 10.00 H new ATOM 0 HD21 LEU A 11 5.151 12.658 0.625 1.00 10.00 H new ATOM 0 HD22 LEU A 11 6.073 11.495 -0.356 1.00 10.00 H new ATOM 0 HD23 LEU A 11 6.156 13.234 -0.726 1.00 10.00 H new ATOM 176 N GLN A 12 4.656 11.241 -6.034 1.00 10.00 N ATOM 177 CA GLN A 12 5.023 11.432 -7.445 1.00 10.00 C ATOM 178 C GLN A 12 3.799 11.500 -8.388 1.00 10.00 C ATOM 179 O GLN A 12 3.963 11.645 -9.602 1.00 10.00 O ATOM 180 CB GLN A 12 6.000 10.323 -7.885 1.00 10.00 C ATOM 181 CG GLN A 12 7.246 10.173 -6.990 1.00 10.00 C ATOM 182 CD GLN A 12 8.048 11.468 -6.842 1.00 10.00 C ATOM 183 OE1 GLN A 12 8.381 12.147 -7.806 1.00 10.00 O ATOM 184 NE2 GLN A 12 8.388 11.869 -5.634 1.00 10.00 N ATOM 0 H GLN A 12 4.758 10.273 -5.729 1.00 10.00 H new ATOM 0 HA GLN A 12 5.514 12.402 -7.523 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.466 9.373 -7.904 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.324 10.527 -8.906 1.00 10.00 H new ATOM 0 HG2 GLN A 12 6.936 9.832 -6.002 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.892 9.400 -7.406 1.00 10.00 H new ATOM 0 HE21 GLN A 12 8.120 11.317 -4.819 1.00 10.00 H new ATOM 0 HE22 GLN A 12 8.919 12.731 -5.514 1.00 10.00 H new ATOM 193 N GLN A 13 2.576 11.451 -7.838 1.00 10.00 N ATOM 194 CA GLN A 13 1.295 11.696 -8.519 1.00 10.00 C ATOM 195 C GLN A 13 1.063 10.758 -9.722 1.00 10.00 C ATOM 196 O GLN A 13 0.832 11.187 -10.855 1.00 10.00 O ATOM 197 CB GLN A 13 1.151 13.203 -8.818 1.00 10.00 C ATOM 198 CG GLN A 13 1.089 14.051 -7.530 1.00 10.00 C ATOM 199 CD GLN A 13 1.791 15.397 -7.694 1.00 10.00 C ATOM 200 OE1 GLN A 13 1.302 16.315 -8.342 1.00 10.00 O ATOM 201 NE2 GLN A 13 2.967 15.568 -7.122 1.00 10.00 N ATOM 0 H GLN A 13 2.447 11.227 -6.851 1.00 10.00 H new ATOM 0 HA GLN A 13 0.475 11.432 -7.851 1.00 10.00 H new ATOM 0 HB2 GLN A 13 1.993 13.533 -9.427 1.00 10.00 H new ATOM 0 HB3 GLN A 13 0.248 13.370 -9.405 1.00 10.00 H new ATOM 0 HG2 GLN A 13 0.047 14.217 -7.256 1.00 10.00 H new ATOM 0 HG3 GLN A 13 1.550 13.499 -6.711 1.00 10.00 H new ATOM 0 HE21 GLN A 13 3.385 14.812 -6.580 1.00 10.00 H new ATOM 0 HE22 GLN A 13 3.458 16.456 -7.222 1.00 10.00 H new ATOM 210 N GLN A 14 1.136 9.452 -9.452 1.00 10.00 N ATOM 211 CA GLN A 14 0.977 8.341 -10.377 1.00 10.00 C ATOM 212 C GLN A 14 0.180 7.270 -9.625 1.00 10.00 C ATOM 213 O GLN A 14 0.438 7.074 -8.436 1.00 10.00 O ATOM 214 CB GLN A 14 2.395 7.851 -10.728 1.00 10.00 C ATOM 215 CG GLN A 14 2.367 6.494 -11.432 1.00 10.00 C ATOM 216 CD GLN A 14 3.750 5.995 -11.833 1.00 10.00 C ATOM 217 OE1 GLN A 14 4.261 5.012 -11.306 1.00 10.00 O ATOM 218 NE2 GLN A 14 4.412 6.622 -12.784 1.00 10.00 N ATOM 0 H GLN A 14 1.323 9.125 -8.504 1.00 10.00 H new ATOM 0 HA GLN A 14 0.455 8.600 -11.298 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.885 8.584 -11.370 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.990 7.776 -9.818 1.00 10.00 H new ATOM 0 HG2 GLN A 14 1.900 5.761 -10.774 1.00 10.00 H new ATOM 0 HG3 GLN A 14 1.742 6.567 -12.322 1.00 10.00 H new ATOM 0 HE21 GLN A 14 4.004 7.441 -13.234 1.00 10.00 H new ATOM 0 HE22 GLN A 14 5.332 6.288 -13.070 1.00 10.00 H new ATOM 227 N THR A 15 -0.735 6.554 -10.287 1.00 10.00 N ATOM 228 CA THR A 15 -1.589 5.542 -9.642 1.00 10.00 C ATOM 229 C THR A 15 -1.493 4.183 -10.345 1.00 10.00 C ATOM 230 O THR A 15 -1.413 4.122 -11.574 1.00 10.00 O ATOM 231 CB THR A 15 -3.054 6.001 -9.562 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.166 7.379 -9.253 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.834 5.259 -8.484 1.00 10.00 C ATOM 0 H THR A 15 -0.907 6.658 -11.287 1.00 10.00 H new ATOM 0 HA THR A 15 -1.215 5.423 -8.625 1.00 10.00 H new ATOM 0 HB THR A 15 -3.463 5.789 -10.550 1.00 10.00 H new ATOM 0 HG1 THR A 15 -4.113 7.630 -9.213 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.863 5.619 -8.467 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.826 4.191 -8.700 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.371 5.436 -7.513 1.00 10.00 H new ATOM 241 N PHE A 16 -1.499 3.087 -9.576 1.00 10.00 N ATOM 242 CA PHE A 16 -1.329 1.709 -10.055 1.00 10.00 C ATOM 243 C PHE A 16 -2.195 0.716 -9.258 1.00 10.00 C ATOM 244 O PHE A 16 -2.835 1.081 -8.271 1.00 10.00 O ATOM 245 CB PHE A 16 0.170 1.342 -10.070 1.00 10.00 C ATOM 246 CG PHE A 16 0.904 1.438 -8.743 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.300 2.697 -8.244 1.00 10.00 C ATOM 248 CD2 PHE A 16 1.219 0.273 -8.010 1.00 10.00 C ATOM 249 CE1 PHE A 16 1.940 2.797 -6.996 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.876 0.380 -6.777 1.00 10.00 C ATOM 251 CZ PHE A 16 2.212 1.638 -6.253 1.00 10.00 C ATOM 0 H PHE A 16 -1.627 3.137 -8.565 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.690 1.641 -11.081 1.00 10.00 H new ATOM 0 HB2 PHE A 16 0.268 0.322 -10.441 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.673 1.991 -10.786 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.111 3.588 -8.824 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.954 -0.699 -8.399 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.222 3.765 -6.609 1.00 10.00 H new ATOM 0 HE2 PHE A 16 2.126 -0.514 -6.225 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.678 1.714 -5.282 1.00 10.00 H new ATOM 261 N LYS A 17 -2.272 -0.536 -9.721 1.00 10.00 N ATOM 262 CA LYS A 17 -3.283 -1.541 -9.350 1.00 10.00 C ATOM 263 C LYS A 17 -2.607 -2.808 -8.831 1.00 10.00 C ATOM 264 O LYS A 17 -1.848 -3.452 -9.558 1.00 10.00 O ATOM 265 CB LYS A 17 -4.142 -1.888 -10.591 1.00 10.00 C ATOM 266 CG LYS A 17 -4.750 -0.697 -11.353 1.00 10.00 C ATOM 267 CD LYS A 17 -5.827 0.059 -10.572 1.00 10.00 C ATOM 268 CE LYS A 17 -7.118 -0.770 -10.485 1.00 10.00 C ATOM 269 NZ LYS A 17 -8.255 0.035 -9.980 1.00 10.00 N ATOM 0 H LYS A 17 -1.600 -0.897 -10.398 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.916 -1.131 -8.563 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -3.526 -2.460 -11.285 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -4.954 -2.542 -10.273 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -3.952 -0.002 -11.617 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.180 -1.058 -12.287 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -5.465 0.284 -9.569 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -6.033 1.013 -11.058 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -7.363 -1.167 -11.470 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -6.958 -1.625 -9.828 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -9.112 -0.554 -9.951 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -8.039 0.379 -9.022 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -8.414 0.846 -10.611 1.00 10.00 H new ATOM 283 N ILE A 18 -2.878 -3.162 -7.577 1.00 10.00 N ATOM 284 CA ILE A 18 -2.171 -4.189 -6.798 1.00 10.00 C ATOM 285 C ILE A 18 -3.172 -5.207 -6.246 1.00 10.00 C ATOM 286 O ILE A 18 -4.349 -4.889 -6.113 1.00 10.00 O ATOM 287 CB ILE A 18 -1.388 -3.468 -5.673 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.329 -2.504 -6.247 1.00 10.00 C ATOM 289 CG2 ILE A 18 -0.715 -4.429 -4.683 1.00 10.00 C ATOM 290 CD1 ILE A 18 0.672 -3.131 -7.226 1.00 10.00 C ATOM 0 H ILE A 18 -3.631 -2.723 -7.047 1.00 10.00 H new ATOM 0 HA ILE A 18 -1.469 -4.745 -7.419 1.00 10.00 H new ATOM 0 HB ILE A 18 -2.139 -2.902 -5.123 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -0.843 -1.687 -6.753 1.00 10.00 H new ATOM 0 HG13 ILE A 18 0.226 -2.066 -5.418 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -0.185 -3.856 -3.923 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -1.473 -5.050 -4.206 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -0.008 -5.065 -5.216 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.371 -2.369 -7.569 1.00 10.00 H new ATOM 0 HD12 ILE A 18 1.221 -3.928 -6.724 1.00 10.00 H new ATOM 0 HD13 ILE A 18 0.136 -3.543 -8.081 1.00 10.00 H new ATOM 302 N ASP A 19 -2.728 -6.422 -5.915 1.00 10.00 N ATOM 303 CA ASP A 19 -3.542 -7.436 -5.242 1.00 10.00 C ATOM 304 C ASP A 19 -2.719 -8.201 -4.195 1.00 10.00 C ATOM 305 O ASP A 19 -1.601 -8.645 -4.478 1.00 10.00 O ATOM 306 CB ASP A 19 -4.192 -8.394 -6.249 1.00 10.00 C ATOM 307 CG ASP A 19 -3.210 -9.363 -6.934 1.00 10.00 C ATOM 308 OD1 ASP A 19 -2.495 -8.950 -7.882 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.190 -10.558 -6.552 1.00 10.00 O ATOM 0 H ASP A 19 -1.777 -6.734 -6.111 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.346 -6.918 -4.719 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -4.958 -8.975 -5.736 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -4.698 -7.807 -7.016 1.00 10.00 H new ATOM 314 N ILE A 20 -3.271 -8.347 -2.991 1.00 10.00 N ATOM 315 CA ILE A 20 -2.735 -9.120 -1.866 1.00 10.00 C ATOM 316 C ILE A 20 -3.902 -9.750 -1.073 1.00 10.00 C ATOM 317 O ILE A 20 -5.069 -9.443 -1.328 1.00 10.00 O ATOM 318 CB ILE A 20 -1.797 -8.268 -0.962 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.518 -7.262 -0.033 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.623 -7.599 -1.722 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.491 -6.281 -0.702 1.00 10.00 C ATOM 0 H ILE A 20 -4.159 -7.902 -2.759 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.111 -9.923 -2.259 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.360 -9.017 -0.302 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.068 -7.827 0.719 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -1.760 -6.683 0.495 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.017 -7.024 -1.022 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.007 -8.367 -2.189 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.018 -6.934 -2.490 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -3.930 -5.631 0.055 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -2.953 -5.676 -1.432 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.282 -6.838 -1.204 1.00 10.00 H new ATOM 333 N ASP A 21 -3.631 -10.653 -0.127 1.00 10.00 N ATOM 334 CA ASP A 21 -4.698 -11.333 0.630 1.00 10.00 C ATOM 335 C ASP A 21 -5.445 -10.395 1.615 1.00 10.00 C ATOM 336 O ASP A 21 -4.784 -9.614 2.309 1.00 10.00 O ATOM 337 CB ASP A 21 -4.131 -12.567 1.338 1.00 10.00 C ATOM 338 CG ASP A 21 -5.219 -13.627 1.523 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.813 -14.055 0.507 1.00 10.00 O ATOM 340 OD2 ASP A 21 -5.497 -14.033 2.671 1.00 10.00 O ATOM 0 H ASP A 21 -2.686 -10.933 0.136 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.452 -11.653 -0.089 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.307 -12.981 0.756 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -3.724 -12.282 2.308 1.00 10.00 H new ATOM 345 N PRO A 22 -6.794 -10.458 1.732 1.00 10.00 N ATOM 346 CA PRO A 22 -7.588 -9.578 2.606 1.00 10.00 C ATOM 347 C PRO A 22 -7.169 -9.536 4.085 1.00 10.00 C ATOM 348 O PRO A 22 -7.392 -8.531 4.759 1.00 10.00 O ATOM 349 CB PRO A 22 -9.035 -10.074 2.502 1.00 10.00 C ATOM 350 CG PRO A 22 -9.094 -10.741 1.133 1.00 10.00 C ATOM 351 CD PRO A 22 -7.693 -11.316 0.962 1.00 10.00 C ATOM 0 HA PRO A 22 -7.437 -8.555 2.262 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.275 -10.777 3.300 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -9.746 -9.251 2.577 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -9.856 -11.520 1.098 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.334 -10.025 0.347 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.649 -12.344 1.321 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.407 -11.333 -0.090 1.00 10.00 H new ATOM 359 N GLU A 23 -6.566 -10.614 4.591 1.00 10.00 N ATOM 360 CA GLU A 23 -6.161 -10.779 5.992 1.00 10.00 C ATOM 361 C GLU A 23 -4.634 -10.856 6.200 1.00 10.00 C ATOM 362 O GLU A 23 -4.175 -11.085 7.320 1.00 10.00 O ATOM 363 CB GLU A 23 -6.916 -11.969 6.618 1.00 10.00 C ATOM 364 CG GLU A 23 -6.568 -13.324 5.985 1.00 10.00 C ATOM 365 CD GLU A 23 -7.338 -14.472 6.667 1.00 10.00 C ATOM 366 OE1 GLU A 23 -6.935 -14.910 7.773 1.00 10.00 O ATOM 367 OE2 GLU A 23 -8.350 -14.955 6.100 1.00 10.00 O ATOM 0 H GLU A 23 -6.337 -11.426 4.017 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.448 -9.871 6.522 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -6.693 -12.008 7.684 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -7.988 -11.798 6.522 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -6.807 -13.304 4.922 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -5.496 -13.502 6.068 1.00 10.00 H new ATOM 374 N GLU A 24 -3.829 -10.616 5.157 1.00 10.00 N ATOM 375 CA GLU A 24 -2.404 -10.287 5.333 1.00 10.00 C ATOM 376 C GLU A 24 -2.233 -8.857 5.880 1.00 10.00 C ATOM 377 O GLU A 24 -3.132 -8.021 5.759 1.00 10.00 O ATOM 378 CB GLU A 24 -1.648 -10.439 4.001 1.00 10.00 C ATOM 379 CG GLU A 24 -1.272 -11.893 3.674 1.00 10.00 C ATOM 380 CD GLU A 24 0.016 -12.339 4.399 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.007 -12.468 5.647 1.00 10.00 O ATOM 382 OE2 GLU A 24 1.047 -12.576 3.724 1.00 10.00 O ATOM 0 H GLU A 24 -4.136 -10.643 4.185 1.00 10.00 H new ATOM 0 HA GLU A 24 -1.984 -10.984 6.058 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -2.264 -10.041 3.195 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -0.741 -9.836 4.036 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -2.093 -12.551 3.957 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -1.136 -11.998 2.598 1.00 10.00 H new ATOM 389 N THR A 25 -1.074 -8.563 6.480 1.00 10.00 N ATOM 390 CA THR A 25 -0.723 -7.209 6.946 1.00 10.00 C ATOM 391 C THR A 25 -0.245 -6.314 5.804 1.00 10.00 C ATOM 392 O THR A 25 0.072 -6.785 4.709 1.00 10.00 O ATOM 393 CB THR A 25 0.323 -7.230 8.073 1.00 10.00 C ATOM 394 OG1 THR A 25 1.531 -7.790 7.618 1.00 10.00 O ATOM 395 CG2 THR A 25 -0.138 -8.033 9.289 1.00 10.00 C ATOM 0 H THR A 25 -0.348 -9.257 6.658 1.00 10.00 H new ATOM 0 HA THR A 25 -1.644 -6.787 7.349 1.00 10.00 H new ATOM 0 HB THR A 25 0.464 -6.191 8.371 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.286 -7.310 8.019 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.639 -8.014 10.053 1.00 10.00 H new ATOM 0 HG22 THR A 25 -1.052 -7.594 9.690 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.330 -9.064 8.993 1.00 10.00 H new ATOM 403 N VAL A 26 -0.148 -5.005 6.060 1.00 10.00 N ATOM 404 CA VAL A 26 0.398 -4.022 5.089 1.00 10.00 C ATOM 405 C VAL A 26 1.800 -4.392 4.590 1.00 10.00 C ATOM 406 O VAL A 26 2.136 -4.080 3.449 1.00 10.00 O ATOM 407 CB VAL A 26 0.386 -2.589 5.652 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.913 -1.535 4.668 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.048 -2.204 6.011 1.00 10.00 C ATOM 0 H VAL A 26 -0.443 -4.587 6.942 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.270 -4.056 4.229 1.00 10.00 H new ATOM 0 HB VAL A 26 1.046 -2.598 6.519 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.874 -0.550 5.134 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.943 -1.770 4.401 1.00 10.00 H new ATOM 0 HG13 VAL A 26 0.296 -1.535 3.769 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.063 -1.190 6.410 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.672 -2.252 5.118 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.433 -2.895 6.761 1.00 10.00 H new ATOM 419 N LYS A 27 2.584 -5.148 5.374 1.00 10.00 N ATOM 420 CA LYS A 27 3.846 -5.768 4.942 1.00 10.00 C ATOM 421 C LYS A 27 3.713 -6.484 3.591 1.00 10.00 C ATOM 422 O LYS A 27 4.570 -6.295 2.739 1.00 10.00 O ATOM 423 CB LYS A 27 4.338 -6.708 6.051 1.00 10.00 C ATOM 424 CG LYS A 27 5.802 -7.124 5.846 1.00 10.00 C ATOM 425 CD LYS A 27 6.324 -7.993 6.997 1.00 10.00 C ATOM 426 CE LYS A 27 5.641 -9.368 7.032 1.00 10.00 C ATOM 427 NZ LYS A 27 6.193 -10.224 8.114 1.00 10.00 N ATOM 0 H LYS A 27 2.353 -5.350 6.347 1.00 10.00 H new ATOM 0 HA LYS A 27 4.588 -4.986 4.780 1.00 10.00 H new ATOM 0 HB2 LYS A 27 4.233 -6.215 7.017 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.709 -7.598 6.078 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.894 -7.672 4.908 1.00 10.00 H new ATOM 0 HG3 LYS A 27 6.422 -6.232 5.756 1.00 10.00 H new ATOM 0 HD2 LYS A 27 7.401 -8.125 6.893 1.00 10.00 H new ATOM 0 HD3 LYS A 27 6.156 -7.480 7.944 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.569 -9.239 7.180 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.772 -9.865 6.071 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 5.709 -11.145 8.109 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.211 -10.367 7.958 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 6.045 -9.760 9.033 1.00 10.00 H new ATOM 441 N ALA A 28 2.623 -7.211 3.333 1.00 10.00 N ATOM 442 CA ALA A 28 2.368 -7.840 2.031 1.00 10.00 C ATOM 443 C ALA A 28 2.177 -6.812 0.894 1.00 10.00 C ATOM 444 O ALA A 28 2.806 -6.924 -0.157 1.00 10.00 O ATOM 445 CB ALA A 28 1.148 -8.759 2.168 1.00 10.00 C ATOM 0 H ALA A 28 1.890 -7.381 4.021 1.00 10.00 H new ATOM 0 HA ALA A 28 3.245 -8.422 1.749 1.00 10.00 H new ATOM 0 HB1 ALA A 28 0.942 -9.236 1.210 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.351 -9.524 2.918 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.282 -8.171 2.474 1.00 10.00 H new ATOM 451 N LEU A 29 1.365 -5.770 1.118 1.00 10.00 N ATOM 452 CA LEU A 29 1.146 -4.637 0.205 1.00 10.00 C ATOM 453 C LEU A 29 2.429 -3.867 -0.102 1.00 10.00 C ATOM 454 O LEU A 29 2.528 -3.285 -1.179 1.00 10.00 O ATOM 455 CB LEU A 29 0.147 -3.640 0.852 1.00 10.00 C ATOM 456 CG LEU A 29 -1.218 -3.464 0.170 1.00 10.00 C ATOM 457 CD1 LEU A 29 -1.949 -2.284 0.813 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.128 -3.185 -1.328 1.00 10.00 C ATOM 0 H LEU A 29 0.819 -5.689 1.976 1.00 10.00 H new ATOM 0 HA LEU A 29 0.762 -5.056 -0.725 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.029 -3.958 1.880 1.00 10.00 H new ATOM 0 HB3 LEU A 29 0.629 -2.663 0.899 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.746 -4.408 0.302 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -2.919 -2.152 0.334 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -2.092 -2.480 1.876 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.357 -1.377 0.688 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -2.132 -3.073 -1.738 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -0.564 -2.267 -1.494 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.624 -4.015 -1.823 1.00 10.00 H new ATOM 470 N LYS A 30 3.379 -3.816 0.836 1.00 10.00 N ATOM 471 CA LYS A 30 4.509 -2.887 0.760 1.00 10.00 C ATOM 472 C LYS A 30 5.871 -3.539 0.547 1.00 10.00 C ATOM 473 O LYS A 30 6.769 -2.906 0.000 1.00 10.00 O ATOM 474 CB LYS A 30 4.363 -1.852 1.893 1.00 10.00 C ATOM 475 CG LYS A 30 4.909 -2.198 3.284 1.00 10.00 C ATOM 476 CD LYS A 30 6.442 -2.166 3.330 1.00 10.00 C ATOM 477 CE LYS A 30 7.038 -2.021 4.739 1.00 10.00 C ATOM 478 NZ LYS A 30 6.599 -0.788 5.442 1.00 10.00 N ATOM 0 H LYS A 30 3.387 -4.413 1.663 1.00 10.00 H new ATOM 0 HA LYS A 30 4.470 -2.324 -0.173 1.00 10.00 H new ATOM 0 HB2 LYS A 30 4.851 -0.934 1.566 1.00 10.00 H new ATOM 0 HB3 LYS A 30 3.302 -1.628 2.001 1.00 10.00 H new ATOM 0 HG2 LYS A 30 4.511 -1.494 4.014 1.00 10.00 H new ATOM 0 HG3 LYS A 30 4.559 -3.189 3.573 1.00 10.00 H new ATOM 0 HD2 LYS A 30 6.825 -3.082 2.881 1.00 10.00 H new ATOM 0 HD3 LYS A 30 6.793 -1.338 2.714 1.00 10.00 H new ATOM 0 HE2 LYS A 30 6.758 -2.889 5.335 1.00 10.00 H new ATOM 0 HE3 LYS A 30 8.126 -2.022 4.667 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 7.237 -0.599 6.242 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 6.623 0.015 4.782 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 5.629 -0.916 5.795 1.00 10.00 H new ATOM 492 N GLU A 31 6.006 -4.829 0.849 1.00 10.00 N ATOM 493 CA GLU A 31 7.045 -5.669 0.251 1.00 10.00 C ATOM 494 C GLU A 31 6.839 -5.785 -1.264 1.00 10.00 C ATOM 495 O GLU A 31 7.824 -5.708 -2.004 1.00 10.00 O ATOM 496 CB GLU A 31 7.056 -7.086 0.854 1.00 10.00 C ATOM 497 CG GLU A 31 7.694 -7.154 2.248 1.00 10.00 C ATOM 498 CD GLU A 31 7.781 -8.605 2.768 1.00 10.00 C ATOM 499 OE1 GLU A 31 6.751 -9.319 2.817 1.00 10.00 O ATOM 500 OE2 GLU A 31 8.897 -9.049 3.139 1.00 10.00 O ATOM 0 H GLU A 31 5.404 -5.320 1.510 1.00 10.00 H new ATOM 0 HA GLU A 31 7.999 -5.188 0.465 1.00 10.00 H new ATOM 0 HB2 GLU A 31 6.032 -7.455 0.914 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.597 -7.754 0.183 1.00 10.00 H new ATOM 0 HG2 GLU A 31 8.693 -6.720 2.212 1.00 10.00 H new ATOM 0 HG3 GLU A 31 7.110 -6.552 2.945 1.00 10.00 H new ATOM 507 N LYS A 32 5.595 -5.956 -1.756 1.00 10.00 N ATOM 508 CA LYS A 32 5.397 -6.328 -3.156 1.00 10.00 C ATOM 509 C LYS A 32 5.724 -5.198 -4.144 1.00 10.00 C ATOM 510 O LYS A 32 6.307 -5.468 -5.192 1.00 10.00 O ATOM 511 CB LYS A 32 3.984 -6.918 -3.285 1.00 10.00 C ATOM 512 CG LYS A 32 2.875 -5.866 -3.453 1.00 10.00 C ATOM 513 CD LYS A 32 2.593 -5.525 -4.930 1.00 10.00 C ATOM 514 CE LYS A 32 2.043 -6.751 -5.693 1.00 10.00 C ATOM 515 NZ LYS A 32 1.912 -6.515 -7.155 1.00 10.00 N ATOM 0 H LYS A 32 4.738 -5.844 -1.214 1.00 10.00 H new ATOM 0 HA LYS A 32 6.118 -7.092 -3.447 1.00 10.00 H new ATOM 0 HB2 LYS A 32 3.961 -7.594 -4.140 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.770 -7.517 -2.400 1.00 10.00 H new ATOM 0 HG2 LYS A 32 1.960 -6.233 -2.988 1.00 10.00 H new ATOM 0 HG3 LYS A 32 3.160 -4.957 -2.923 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.875 -4.707 -4.986 1.00 10.00 H new ATOM 0 HD3 LYS A 32 3.510 -5.178 -5.407 1.00 10.00 H new ATOM 0 HE2 LYS A 32 2.703 -7.602 -5.526 1.00 10.00 H new ATOM 0 HE3 LYS A 32 1.068 -7.019 -5.285 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 2.175 -7.379 -7.671 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 0.928 -6.263 -7.379 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 2.542 -5.737 -7.439 1.00 10.00 H new ATOM 529 N ILE A 33 5.369 -3.938 -3.840 1.00 10.00 N ATOM 530 CA ILE A 33 5.481 -2.831 -4.794 1.00 10.00 C ATOM 531 C ILE A 33 6.939 -2.433 -5.061 1.00 10.00 C ATOM 532 O ILE A 33 7.243 -1.907 -6.128 1.00 10.00 O ATOM 533 CB ILE A 33 4.598 -1.632 -4.407 1.00 10.00 C ATOM 534 CG1 ILE A 33 5.062 -0.799 -3.194 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.137 -2.065 -4.255 1.00 10.00 C ATOM 536 CD1 ILE A 33 6.006 0.323 -3.639 1.00 10.00 C ATOM 0 H ILE A 33 4.999 -3.663 -2.930 1.00 10.00 H new ATOM 0 HA ILE A 33 5.091 -3.200 -5.743 1.00 10.00 H new ATOM 0 HB ILE A 33 4.703 -0.942 -5.244 1.00 10.00 H new ATOM 0 HG12 ILE A 33 4.197 -0.373 -2.686 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.568 -1.444 -2.476 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.529 -1.203 -3.981 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.779 -2.476 -5.199 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.062 -2.824 -3.477 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.322 0.899 -2.769 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.881 -0.109 -4.126 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.488 0.978 -4.339 1.00 10.00 H new ATOM 548 N GLU A 34 7.863 -2.722 -4.137 1.00 10.00 N ATOM 549 CA GLU A 34 9.309 -2.509 -4.331 1.00 10.00 C ATOM 550 C GLU A 34 9.840 -3.296 -5.548 1.00 10.00 C ATOM 551 O GLU A 34 10.738 -2.820 -6.242 1.00 10.00 O ATOM 552 CB GLU A 34 10.064 -2.906 -3.048 1.00 10.00 C ATOM 553 CG GLU A 34 11.551 -2.516 -3.071 1.00 10.00 C ATOM 554 CD GLU A 34 12.297 -3.077 -1.849 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.593 -4.294 -1.814 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.659 -2.299 -0.935 1.00 10.00 O ATOM 0 H GLU A 34 7.630 -3.114 -3.225 1.00 10.00 H new ATOM 0 HA GLU A 34 9.479 -1.452 -4.535 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.585 -2.432 -2.191 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.980 -3.983 -2.904 1.00 10.00 H new ATOM 0 HG2 GLU A 34 12.013 -2.890 -3.985 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.644 -1.430 -3.089 1.00 10.00 H new ATOM 563 N SER A 35 9.245 -4.451 -5.873 1.00 10.00 N ATOM 564 CA SER A 35 9.596 -5.238 -7.072 1.00 10.00 C ATOM 565 C SER A 35 9.193 -4.566 -8.399 1.00 10.00 C ATOM 566 O SER A 35 9.644 -4.987 -9.465 1.00 10.00 O ATOM 567 CB SER A 35 8.953 -6.630 -7.008 1.00 10.00 C ATOM 568 OG SER A 35 9.375 -7.329 -5.844 1.00 10.00 O ATOM 0 H SER A 35 8.503 -4.871 -5.313 1.00 10.00 H new ATOM 0 HA SER A 35 10.683 -5.311 -7.063 1.00 10.00 H new ATOM 0 HB2 SER A 35 7.867 -6.534 -7.006 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.221 -7.200 -7.897 1.00 10.00 H new ATOM 0 HG SER A 35 8.952 -8.213 -5.822 1.00 10.00 H new ATOM 574 N GLU A 36 8.347 -3.532 -8.351 1.00 10.00 N ATOM 575 CA GLU A 36 7.774 -2.840 -9.519 1.00 10.00 C ATOM 576 C GLU A 36 8.158 -1.351 -9.600 1.00 10.00 C ATOM 577 O GLU A 36 8.312 -0.812 -10.700 1.00 10.00 O ATOM 578 CB GLU A 36 6.246 -2.980 -9.466 1.00 10.00 C ATOM 579 CG GLU A 36 5.791 -4.432 -9.676 1.00 10.00 C ATOM 580 CD GLU A 36 4.265 -4.565 -9.569 1.00 10.00 C ATOM 581 OE1 GLU A 36 3.549 -4.227 -10.542 1.00 10.00 O ATOM 582 OE2 GLU A 36 3.773 -5.039 -8.517 1.00 10.00 O ATOM 0 H GLU A 36 8.028 -3.136 -7.467 1.00 10.00 H new ATOM 0 HA GLU A 36 8.186 -3.309 -10.413 1.00 10.00 H new ATOM 0 HB2 GLU A 36 5.883 -2.623 -8.502 1.00 10.00 H new ATOM 0 HB3 GLU A 36 5.798 -2.346 -10.231 1.00 10.00 H new ATOM 0 HG2 GLU A 36 6.120 -4.779 -10.656 1.00 10.00 H new ATOM 0 HG3 GLU A 36 6.266 -5.074 -8.934 1.00 10.00 H new ATOM 589 N LYS A 37 8.342 -0.694 -8.446 1.00 10.00 N ATOM 590 CA LYS A 37 8.685 0.736 -8.306 1.00 10.00 C ATOM 591 C LYS A 37 10.126 0.969 -7.828 1.00 10.00 C ATOM 592 O LYS A 37 10.626 2.092 -7.908 1.00 10.00 O ATOM 593 CB LYS A 37 7.669 1.416 -7.368 1.00 10.00 C ATOM 594 CG LYS A 37 6.188 1.248 -7.753 1.00 10.00 C ATOM 595 CD LYS A 37 5.876 1.844 -9.131 1.00 10.00 C ATOM 596 CE LYS A 37 4.388 1.689 -9.453 1.00 10.00 C ATOM 597 NZ LYS A 37 4.072 2.221 -10.803 1.00 10.00 N ATOM 0 H LYS A 37 8.253 -1.161 -7.544 1.00 10.00 H new ATOM 0 HA LYS A 37 8.629 1.186 -9.297 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.811 1.021 -6.362 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.896 2.481 -7.328 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.932 0.189 -7.751 1.00 10.00 H new ATOM 0 HG3 LYS A 37 5.562 1.729 -7.001 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.151 2.899 -9.149 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.474 1.346 -9.894 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.110 0.637 -9.400 1.00 10.00 H new ATOM 0 HE3 LYS A 37 3.795 2.214 -8.704 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 3.085 1.997 -11.042 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 4.204 3.253 -10.809 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.705 1.787 -11.504 1.00 10.00 H new ATOM 611 N GLY A 38 10.803 -0.092 -7.386 1.00 10.00 N ATOM 612 CA GLY A 38 12.241 -0.146 -7.106 1.00 10.00 C ATOM 613 C GLY A 38 12.652 0.298 -5.697 1.00 10.00 C ATOM 614 O GLY A 38 12.119 1.262 -5.139 1.00 10.00 O ATOM 0 H GLY A 38 10.341 -0.983 -7.204 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.587 -1.168 -7.262 1.00 10.00 H new ATOM 0 HA3 GLY A 38 12.759 0.480 -7.832 1.00 10.00 H new ATOM 618 N LYS A 39 13.698 -0.349 -5.166 1.00 10.00 N ATOM 619 CA LYS A 39 14.466 0.048 -3.972 1.00 10.00 C ATOM 620 C LYS A 39 14.928 1.514 -4.016 1.00 10.00 C ATOM 621 O LYS A 39 14.986 2.184 -2.988 1.00 10.00 O ATOM 622 CB LYS A 39 15.671 -0.911 -3.911 1.00 10.00 C ATOM 623 CG LYS A 39 16.576 -0.761 -2.679 1.00 10.00 C ATOM 624 CD LYS A 39 15.950 -1.286 -1.380 1.00 10.00 C ATOM 625 CE LYS A 39 15.906 -2.820 -1.377 1.00 10.00 C ATOM 626 NZ LYS A 39 15.137 -3.340 -0.221 1.00 10.00 N ATOM 0 H LYS A 39 14.053 -1.212 -5.579 1.00 10.00 H new ATOM 0 HA LYS A 39 13.841 -0.021 -3.082 1.00 10.00 H new ATOM 0 HB2 LYS A 39 15.300 -1.935 -3.944 1.00 10.00 H new ATOM 0 HB3 LYS A 39 16.277 -0.762 -4.805 1.00 10.00 H new ATOM 0 HG2 LYS A 39 17.511 -1.291 -2.860 1.00 10.00 H new ATOM 0 HG3 LYS A 39 16.827 0.292 -2.550 1.00 10.00 H new ATOM 0 HD2 LYS A 39 16.526 -0.933 -0.525 1.00 10.00 H new ATOM 0 HD3 LYS A 39 14.941 -0.889 -1.271 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.455 -3.174 -2.304 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.922 -3.214 -1.346 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 15.084 -4.377 -0.277 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.611 -3.065 0.663 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.176 -2.943 -0.237 1.00 10.00 H new ATOM 640 N ASP A 40 15.227 2.006 -5.219 1.00 10.00 N ATOM 641 CA ASP A 40 15.727 3.363 -5.486 1.00 10.00 C ATOM 642 C ASP A 40 14.712 4.490 -5.181 1.00 10.00 C ATOM 643 O ASP A 40 15.117 5.639 -4.992 1.00 10.00 O ATOM 644 CB ASP A 40 16.171 3.417 -6.958 1.00 10.00 C ATOM 645 CG ASP A 40 16.906 4.723 -7.312 1.00 10.00 C ATOM 646 OD1 ASP A 40 18.025 4.951 -6.789 1.00 10.00 O ATOM 647 OD2 ASP A 40 16.387 5.507 -8.143 1.00 10.00 O ATOM 0 H ASP A 40 15.125 1.452 -6.069 1.00 10.00 H new ATOM 0 HA ASP A 40 16.559 3.550 -4.807 1.00 10.00 H new ATOM 0 HB2 ASP A 40 16.824 2.570 -7.167 1.00 10.00 H new ATOM 0 HB3 ASP A 40 15.297 3.312 -7.601 1.00 10.00 H new ATOM 652 N ALA A 41 13.412 4.172 -5.100 1.00 10.00 N ATOM 653 CA ALA A 41 12.335 5.157 -4.917 1.00 10.00 C ATOM 654 C ALA A 41 11.290 4.778 -3.848 1.00 10.00 C ATOM 655 O ALA A 41 10.676 5.674 -3.268 1.00 10.00 O ATOM 656 CB ALA A 41 11.674 5.401 -6.280 1.00 10.00 C ATOM 0 H ALA A 41 13.074 3.211 -5.160 1.00 10.00 H new ATOM 0 HA ALA A 41 12.789 6.070 -4.531 1.00 10.00 H new ATOM 0 HB1 ALA A 41 10.871 6.129 -6.170 1.00 10.00 H new ATOM 0 HB2 ALA A 41 12.416 5.783 -6.981 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.265 4.464 -6.659 1.00 10.00 H new ATOM 662 N PHE A 42 11.115 3.486 -3.543 1.00 10.00 N ATOM 663 CA PHE A 42 10.172 2.971 -2.537 1.00 10.00 C ATOM 664 C PHE A 42 10.801 1.830 -1.706 1.00 10.00 C ATOM 665 O PHE A 42 10.327 0.691 -1.755 1.00 10.00 O ATOM 666 CB PHE A 42 8.848 2.557 -3.207 1.00 10.00 C ATOM 667 CG PHE A 42 8.082 3.694 -3.857 1.00 10.00 C ATOM 668 CD1 PHE A 42 8.363 4.058 -5.186 1.00 10.00 C ATOM 669 CD2 PHE A 42 7.103 4.402 -3.133 1.00 10.00 C ATOM 670 CE1 PHE A 42 7.700 5.146 -5.780 1.00 10.00 C ATOM 671 CE2 PHE A 42 6.435 5.490 -3.726 1.00 10.00 C ATOM 672 CZ PHE A 42 6.745 5.869 -5.045 1.00 10.00 C ATOM 0 H PHE A 42 11.642 2.744 -4.004 1.00 10.00 H new ATOM 0 HA PHE A 42 9.943 3.770 -1.831 1.00 10.00 H new ATOM 0 HB2 PHE A 42 9.060 1.801 -3.963 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.209 2.088 -2.459 1.00 10.00 H new ATOM 0 HD1 PHE A 42 9.092 3.499 -5.753 1.00 10.00 H new ATOM 0 HD2 PHE A 42 6.864 4.110 -2.121 1.00 10.00 H new ATOM 0 HE1 PHE A 42 7.924 5.426 -6.799 1.00 10.00 H new ATOM 0 HE2 PHE A 42 5.686 6.033 -3.169 1.00 10.00 H new ATOM 0 HZ PHE A 42 6.248 6.717 -5.493 1.00 10.00 H new ATOM 682 N PRO A 43 11.884 2.090 -0.946 1.00 10.00 N ATOM 683 CA PRO A 43 12.539 1.075 -0.125 1.00 10.00 C ATOM 684 C PRO A 43 11.609 0.553 0.983 1.00 10.00 C ATOM 685 O PRO A 43 11.038 1.336 1.742 1.00 10.00 O ATOM 686 CB PRO A 43 13.810 1.715 0.422 1.00 10.00 C ATOM 687 CG PRO A 43 13.428 3.184 0.468 1.00 10.00 C ATOM 688 CD PRO A 43 12.531 3.377 -0.750 1.00 10.00 C ATOM 0 HA PRO A 43 12.789 0.192 -0.714 1.00 10.00 H new ATOM 0 HB2 PRO A 43 14.069 1.330 1.408 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.668 1.537 -0.226 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.904 3.430 1.391 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.308 3.826 0.420 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.798 4.166 -0.580 1.00 10.00 H new ATOM 0 HD3 PRO A 43 13.111 3.665 -1.626 1.00 10.00 H new ATOM 696 N VAL A 44 11.481 -0.771 1.115 1.00 10.00 N ATOM 697 CA VAL A 44 10.655 -1.450 2.139 1.00 10.00 C ATOM 698 C VAL A 44 10.931 -0.948 3.558 1.00 10.00 C ATOM 699 O VAL A 44 10.023 -0.749 4.363 1.00 10.00 O ATOM 700 CB VAL A 44 10.873 -2.973 2.039 1.00 10.00 C ATOM 701 CG1 VAL A 44 12.126 -3.533 2.724 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.645 -3.729 2.549 1.00 10.00 C ATOM 0 H VAL A 44 11.960 -1.426 0.498 1.00 10.00 H new ATOM 0 HA VAL A 44 9.611 -1.211 1.936 1.00 10.00 H new ATOM 0 HB VAL A 44 11.034 -3.135 0.973 1.00 10.00 H new ATOM 0 HG11 VAL A 44 12.166 -4.613 2.583 1.00 10.00 H new ATOM 0 HG12 VAL A 44 13.014 -3.077 2.287 1.00 10.00 H new ATOM 0 HG13 VAL A 44 12.089 -3.308 3.790 1.00 10.00 H new ATOM 0 HG21 VAL A 44 9.819 -4.802 2.470 1.00 10.00 H new ATOM 0 HG22 VAL A 44 9.463 -3.467 3.591 1.00 10.00 H new ATOM 0 HG23 VAL A 44 8.776 -3.458 1.950 1.00 10.00 H new ATOM 712 N ALA A 45 12.212 -0.688 3.805 1.00 10.00 N ATOM 713 CA ALA A 45 12.787 -0.162 5.044 1.00 10.00 C ATOM 714 C ALA A 45 12.276 1.233 5.475 1.00 10.00 C ATOM 715 O ALA A 45 12.440 1.604 6.640 1.00 10.00 O ATOM 716 CB ALA A 45 14.307 -0.123 4.843 1.00 10.00 C ATOM 0 H ALA A 45 12.927 -0.850 3.096 1.00 10.00 H new ATOM 0 HA ALA A 45 12.476 -0.821 5.855 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.783 0.264 5.744 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.673 -1.130 4.643 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.546 0.525 3.999 1.00 10.00 H new ATOM 722 N GLY A 46 11.676 2.007 4.561 1.00 10.00 N ATOM 723 CA GLY A 46 11.258 3.395 4.803 1.00 10.00 C ATOM 724 C GLY A 46 9.932 3.814 4.156 1.00 10.00 C ATOM 725 O GLY A 46 9.452 4.913 4.440 1.00 10.00 O ATOM 0 H GLY A 46 11.464 1.682 3.618 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.180 3.549 5.879 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.043 4.059 4.442 1.00 10.00 H new ATOM 729 N GLN A 47 9.313 2.982 3.305 1.00 10.00 N ATOM 730 CA GLN A 47 7.999 3.309 2.734 1.00 10.00 C ATOM 731 C GLN A 47 6.841 3.114 3.738 1.00 10.00 C ATOM 732 O GLN A 47 6.859 2.218 4.594 1.00 10.00 O ATOM 733 CB GLN A 47 7.754 2.616 1.382 1.00 10.00 C ATOM 734 CG GLN A 47 7.507 1.107 1.459 1.00 10.00 C ATOM 735 CD GLN A 47 6.953 0.572 0.143 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.768 0.660 -0.136 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.761 0.007 -0.726 1.00 10.00 N ATOM 0 H GLN A 47 9.696 2.087 3.000 1.00 10.00 H new ATOM 0 HA GLN A 47 8.018 4.378 2.520 1.00 10.00 H new ATOM 0 HB2 GLN A 47 6.895 3.085 0.902 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.616 2.795 0.739 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.439 0.595 1.700 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.807 0.891 2.266 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.756 -0.079 -0.517 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.393 -0.346 -1.610 1.00 10.00 H new ATOM 746 N LYS A 48 5.817 3.955 3.584 1.00 10.00 N ATOM 747 CA LYS A 48 4.662 4.192 4.464 1.00 10.00 C ATOM 748 C LYS A 48 3.398 4.366 3.605 1.00 10.00 C ATOM 749 O LYS A 48 3.496 4.666 2.418 1.00 10.00 O ATOM 750 CB LYS A 48 4.990 5.444 5.299 1.00 10.00 C ATOM 751 CG LYS A 48 3.913 5.829 6.325 1.00 10.00 C ATOM 752 CD LYS A 48 4.424 6.970 7.213 1.00 10.00 C ATOM 753 CE LYS A 48 3.346 7.395 8.216 1.00 10.00 C ATOM 754 NZ LYS A 48 3.823 8.502 9.086 1.00 10.00 N ATOM 0 H LYS A 48 5.767 4.549 2.757 1.00 10.00 H new ATOM 0 HA LYS A 48 4.469 3.356 5.136 1.00 10.00 H new ATOM 0 HB2 LYS A 48 5.931 5.278 5.824 1.00 10.00 H new ATOM 0 HB3 LYS A 48 5.146 6.285 4.623 1.00 10.00 H new ATOM 0 HG2 LYS A 48 3.002 6.136 5.811 1.00 10.00 H new ATOM 0 HG3 LYS A 48 3.657 4.965 6.939 1.00 10.00 H new ATOM 0 HD2 LYS A 48 5.319 6.650 7.746 1.00 10.00 H new ATOM 0 HD3 LYS A 48 4.708 7.821 6.594 1.00 10.00 H new ATOM 0 HE2 LYS A 48 2.452 7.711 7.679 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.063 6.542 8.832 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 3.071 8.767 9.754 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 4.662 8.191 9.615 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.070 9.324 8.498 1.00 10.00 H new ATOM 768 N LEU A 49 2.213 4.154 4.168 1.00 10.00 N ATOM 769 CA LEU A 49 0.932 4.126 3.452 1.00 10.00 C ATOM 770 C LEU A 49 -0.194 4.821 4.254 1.00 10.00 C ATOM 771 O LEU A 49 -0.163 4.892 5.485 1.00 10.00 O ATOM 772 CB LEU A 49 0.541 2.664 3.127 1.00 10.00 C ATOM 773 CG LEU A 49 1.307 2.037 1.944 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.576 1.280 2.352 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.434 1.017 1.214 1.00 10.00 C ATOM 0 H LEU A 49 2.109 3.991 5.169 1.00 10.00 H new ATOM 0 HA LEU A 49 1.058 4.682 2.523 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.707 2.053 4.014 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.527 2.628 2.910 1.00 10.00 H new ATOM 0 HG LEU A 49 1.577 2.887 1.318 1.00 10.00 H new ATOM 0 HD11 LEU A 49 3.056 0.869 1.464 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.262 1.963 2.852 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.313 0.468 3.030 1.00 10.00 H new ATOM 0 HD21 LEU A 49 0.994 0.587 0.383 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.145 0.225 1.905 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.460 1.510 0.832 1.00 10.00 H new ATOM 787 N ILE A 50 -1.220 5.282 3.536 1.00 10.00 N ATOM 788 CA ILE A 50 -2.408 6.015 4.021 1.00 10.00 C ATOM 789 C ILE A 50 -3.657 5.504 3.284 1.00 10.00 C ATOM 790 O ILE A 50 -3.613 5.298 2.073 1.00 10.00 O ATOM 791 CB ILE A 50 -2.220 7.536 3.752 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.277 8.230 4.759 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.549 8.321 3.685 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.897 8.534 6.130 1.00 10.00 C ATOM 0 H ILE A 50 -1.252 5.147 2.526 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.531 5.852 5.092 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.753 7.561 2.767 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.400 7.599 4.906 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -0.927 9.165 4.321 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.341 9.374 3.495 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.167 7.922 2.880 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -4.079 8.221 4.632 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -1.156 9.021 6.764 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.755 9.194 6.003 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -2.220 7.604 6.597 1.00 10.00 H new ATOM 806 N TYR A 51 -4.799 5.410 3.973 1.00 10.00 N ATOM 807 CA TYR A 51 -6.106 5.147 3.356 1.00 10.00 C ATOM 808 C TYR A 51 -7.103 6.262 3.696 1.00 10.00 C ATOM 809 O TYR A 51 -7.776 6.237 4.728 1.00 10.00 O ATOM 810 CB TYR A 51 -6.607 3.740 3.715 1.00 10.00 C ATOM 811 CG TYR A 51 -7.963 3.386 3.123 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.190 3.499 1.736 1.00 10.00 C ATOM 813 CD2 TYR A 51 -9.002 2.939 3.962 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.450 3.183 1.195 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.265 2.619 3.425 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.494 2.744 2.037 1.00 10.00 C ATOM 817 OH TYR A 51 -11.698 2.398 1.507 1.00 10.00 O ATOM 0 H TYR A 51 -4.844 5.515 4.987 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.999 5.159 2.271 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.874 3.009 3.375 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.664 3.654 4.800 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.393 3.830 1.086 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.830 2.841 5.024 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.619 3.277 0.132 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -11.058 2.278 4.075 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.303 2.118 2.225 1.00 10.00 H new ATOM 827 N ALA A 52 -7.153 7.276 2.823 1.00 10.00 N ATOM 828 CA ALA A 52 -8.112 8.391 2.826 1.00 10.00 C ATOM 829 C ALA A 52 -8.228 9.206 4.142 1.00 10.00 C ATOM 830 O ALA A 52 -9.234 9.888 4.356 1.00 10.00 O ATOM 831 CB ALA A 52 -9.461 7.842 2.329 1.00 10.00 C ATOM 0 H ALA A 52 -6.489 7.345 2.052 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.725 9.154 2.150 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -10.199 8.644 2.318 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.343 7.444 1.321 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.798 7.048 2.995 1.00 10.00 H new ATOM 837 N GLY A 53 -7.222 9.148 5.027 1.00 10.00 N ATOM 838 CA GLY A 53 -7.214 9.856 6.319 1.00 10.00 C ATOM 839 C GLY A 53 -6.745 9.030 7.524 1.00 10.00 C ATOM 840 O GLY A 53 -6.645 9.578 8.624 1.00 10.00 O ATOM 0 H GLY A 53 -6.377 8.600 4.864 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -6.571 10.732 6.229 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -8.222 10.219 6.520 1.00 10.00 H new ATOM 844 N LYS A 54 -6.433 7.737 7.338 1.00 10.00 N ATOM 845 CA LYS A 54 -5.907 6.832 8.379 1.00 10.00 C ATOM 846 C LYS A 54 -4.575 6.221 7.949 1.00 10.00 C ATOM 847 O LYS A 54 -4.327 6.073 6.751 1.00 10.00 O ATOM 848 CB LYS A 54 -6.966 5.770 8.741 1.00 10.00 C ATOM 849 CG LYS A 54 -7.026 4.575 7.771 1.00 10.00 C ATOM 850 CD LYS A 54 -8.278 3.705 7.953 1.00 10.00 C ATOM 851 CE LYS A 54 -9.531 4.388 7.388 1.00 10.00 C ATOM 852 NZ LYS A 54 -10.716 3.489 7.453 1.00 10.00 N ATOM 0 H LYS A 54 -6.542 7.277 6.434 1.00 10.00 H new ATOM 0 HA LYS A 54 -5.702 7.404 9.284 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.761 5.398 9.745 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -7.946 6.247 8.772 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -6.996 4.946 6.747 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -6.139 3.957 7.912 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.130 2.746 7.456 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -8.424 3.495 9.013 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -9.734 5.301 7.948 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -9.352 4.682 6.354 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -11.489 3.893 6.887 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -10.463 2.553 7.076 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -11.024 3.392 8.441 1.00 10.00 H new ATOM 866 N ILE A 55 -3.735 5.847 8.912 1.00 10.00 N ATOM 867 CA ILE A 55 -2.351 5.417 8.667 1.00 10.00 C ATOM 868 C ILE A 55 -2.298 3.885 8.670 1.00 10.00 C ATOM 869 O ILE A 55 -2.671 3.235 9.649 1.00 10.00 O ATOM 870 CB ILE A 55 -1.380 6.013 9.720 1.00 10.00 C ATOM 871 CG1 ILE A 55 -1.512 7.553 9.829 1.00 10.00 C ATOM 872 CG2 ILE A 55 0.070 5.629 9.365 1.00 10.00 C ATOM 873 CD1 ILE A 55 -0.684 8.185 10.955 1.00 10.00 C ATOM 0 H ILE A 55 -3.995 5.832 9.898 1.00 10.00 H new ATOM 0 HA ILE A 55 -2.028 5.787 7.694 1.00 10.00 H new ATOM 0 HB ILE A 55 -1.646 5.595 10.691 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -1.212 7.999 8.881 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -2.561 7.805 9.982 1.00 10.00 H new ATOM 0 HG21 ILE A 55 0.750 6.049 10.106 1.00 10.00 H new ATOM 0 HG22 ILE A 55 0.167 4.543 9.357 1.00 10.00 H new ATOM 0 HG23 ILE A 55 0.320 6.023 8.380 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -0.837 9.264 10.957 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -0.998 7.772 11.914 1.00 10.00 H new ATOM 0 HD13 ILE A 55 0.372 7.969 10.795 1.00 10.00 H new ATOM 885 N LEU A 56 -1.844 3.311 7.554 1.00 10.00 N ATOM 886 CA LEU A 56 -1.667 1.867 7.385 1.00 10.00 C ATOM 887 C LEU A 56 -0.433 1.364 8.162 1.00 10.00 C ATOM 888 O LEU A 56 0.576 2.065 8.277 1.00 10.00 O ATOM 889 CB LEU A 56 -1.590 1.565 5.874 1.00 10.00 C ATOM 890 CG LEU A 56 -2.892 0.987 5.294 1.00 10.00 C ATOM 891 CD1 LEU A 56 -4.074 1.947 5.443 1.00 10.00 C ATOM 892 CD2 LEU A 56 -2.698 0.679 3.808 1.00 10.00 C ATOM 0 H LEU A 56 -1.584 3.847 6.726 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.516 1.327 7.804 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.341 2.482 5.341 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -0.778 0.861 5.694 1.00 10.00 H new ATOM 0 HG LEU A 56 -3.119 0.081 5.855 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -4.968 1.492 5.018 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -4.241 2.157 6.499 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -3.856 2.877 4.918 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -3.621 0.269 3.398 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -2.440 1.595 3.277 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -1.894 -0.048 3.689 1.00 10.00 H new ATOM 904 N ASN A 57 -0.518 0.145 8.701 1.00 10.00 N ATOM 905 CA ASN A 57 0.386 -0.391 9.720 1.00 10.00 C ATOM 906 C ASN A 57 0.915 -1.791 9.332 1.00 10.00 C ATOM 907 O ASN A 57 0.155 -2.721 9.061 1.00 10.00 O ATOM 908 CB ASN A 57 -0.398 -0.359 11.051 1.00 10.00 C ATOM 909 CG ASN A 57 0.295 -1.054 12.216 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.482 -1.343 12.202 1.00 10.00 O ATOM 911 ND2 ASN A 57 -0.427 -1.361 13.266 1.00 10.00 N ATOM 0 H ASN A 57 -1.244 -0.518 8.430 1.00 10.00 H new ATOM 0 HA ASN A 57 1.291 0.209 9.819 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.582 0.680 11.323 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.371 -0.825 10.895 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.003 -1.836 14.060 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -1.419 -1.125 13.290 1.00 10.00 H new ATOM 918 N ASP A 58 2.239 -1.971 9.334 1.00 10.00 N ATOM 919 CA ASP A 58 2.901 -3.238 8.967 1.00 10.00 C ATOM 920 C ASP A 58 2.544 -4.438 9.877 1.00 10.00 C ATOM 921 O ASP A 58 2.842 -5.581 9.528 1.00 10.00 O ATOM 922 CB ASP A 58 4.422 -3.030 8.937 1.00 10.00 C ATOM 923 CG ASP A 58 4.859 -1.960 7.927 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.431 -2.009 6.750 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.667 -1.075 8.290 1.00 10.00 O ATOM 0 H ASP A 58 2.895 -1.234 9.593 1.00 10.00 H new ATOM 0 HA ASP A 58 2.524 -3.502 7.979 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.764 -2.745 9.932 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.908 -3.974 8.691 1.00 10.00 H new ATOM 930 N ASP A 59 1.884 -4.194 11.014 1.00 10.00 N ATOM 931 CA ASP A 59 1.512 -5.196 12.026 1.00 10.00 C ATOM 932 C ASP A 59 -0.016 -5.427 12.147 1.00 10.00 C ATOM 933 O ASP A 59 -0.453 -6.207 12.995 1.00 10.00 O ATOM 934 CB ASP A 59 2.148 -4.769 13.361 1.00 10.00 C ATOM 935 CG ASP A 59 2.121 -5.876 14.433 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.652 -6.985 14.181 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.626 -5.619 15.559 1.00 10.00 O ATOM 0 H ASP A 59 1.580 -3.254 11.268 1.00 10.00 H new ATOM 0 HA ASP A 59 1.896 -6.168 11.716 1.00 10.00 H new ATOM 0 HB2 ASP A 59 3.181 -4.470 13.184 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.623 -3.892 13.741 1.00 10.00 H new ATOM 942 N THR A 60 -0.844 -4.798 11.299 1.00 10.00 N ATOM 943 CA THR A 60 -2.307 -4.950 11.270 1.00 10.00 C ATOM 944 C THR A 60 -2.782 -5.289 9.850 1.00 10.00 C ATOM 945 O THR A 60 -2.192 -4.865 8.849 1.00 10.00 O ATOM 946 CB THR A 60 -2.957 -3.676 11.844 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.822 -3.663 13.250 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.446 -3.547 11.546 1.00 10.00 C ATOM 0 H THR A 60 -0.502 -4.148 10.591 1.00 10.00 H new ATOM 0 HA THR A 60 -2.617 -5.785 11.898 1.00 10.00 H new ATOM 0 HB THR A 60 -2.438 -2.848 11.361 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.235 -2.851 13.611 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.826 -2.624 11.984 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.601 -3.527 10.467 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.978 -4.397 11.973 1.00 10.00 H new ATOM 956 N ALA A 61 -3.824 -6.117 9.754 1.00 10.00 N ATOM 957 CA ALA A 61 -4.311 -6.698 8.505 1.00 10.00 C ATOM 958 C ALA A 61 -5.199 -5.762 7.662 1.00 10.00 C ATOM 959 O ALA A 61 -5.986 -4.980 8.198 1.00 10.00 O ATOM 960 CB ALA A 61 -5.021 -8.003 8.847 1.00 10.00 C ATOM 0 H ALA A 61 -4.366 -6.409 10.567 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.452 -6.879 7.859 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.397 -8.463 7.933 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.320 -8.682 9.333 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -5.854 -7.799 9.520 1.00 10.00 H new ATOM 966 N LEU A 62 -5.114 -5.900 6.332 1.00 10.00 N ATOM 967 CA LEU A 62 -5.798 -5.089 5.321 1.00 10.00 C ATOM 968 C LEU A 62 -7.280 -4.780 5.605 1.00 10.00 C ATOM 969 O LEU A 62 -7.701 -3.621 5.559 1.00 10.00 O ATOM 970 CB LEU A 62 -5.617 -5.826 3.984 1.00 10.00 C ATOM 971 CG LEU A 62 -4.467 -5.327 3.099 1.00 10.00 C ATOM 972 CD1 LEU A 62 -4.874 -4.038 2.387 1.00 10.00 C ATOM 973 CD2 LEU A 62 -3.126 -5.088 3.797 1.00 10.00 C ATOM 0 H LEU A 62 -4.531 -6.623 5.911 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.348 -4.096 5.316 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.458 -6.884 4.192 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -6.546 -5.748 3.419 1.00 10.00 H new ATOM 0 HG LEU A 62 -4.296 -6.151 2.407 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -4.051 -3.692 1.762 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -5.748 -4.227 1.764 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -5.113 -3.274 3.127 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.394 -4.738 3.069 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -3.250 -4.337 4.577 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -2.777 -6.019 4.243 1.00 10.00 H new ATOM 985 N LYS A 63 -8.080 -5.800 5.930 1.00 10.00 N ATOM 986 CA LYS A 63 -9.521 -5.660 6.216 1.00 10.00 C ATOM 987 C LYS A 63 -9.892 -4.794 7.425 1.00 10.00 C ATOM 988 O LYS A 63 -11.009 -4.283 7.472 1.00 10.00 O ATOM 989 CB LYS A 63 -10.180 -7.049 6.286 1.00 10.00 C ATOM 990 CG LYS A 63 -9.973 -7.874 7.573 1.00 10.00 C ATOM 991 CD LYS A 63 -8.520 -7.999 8.067 1.00 10.00 C ATOM 992 CE LYS A 63 -8.351 -9.192 9.026 1.00 10.00 C ATOM 993 NZ LYS A 63 -8.856 -8.924 10.397 1.00 10.00 N ATOM 0 H LYS A 63 -7.746 -6.761 6.004 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.923 -5.093 5.376 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -11.252 -6.920 6.139 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.812 -7.638 5.446 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.569 -7.426 8.368 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.367 -8.877 7.406 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -7.853 -8.120 7.213 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.226 -7.079 8.573 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -8.876 -10.055 8.616 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -7.295 -9.457 9.081 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -8.743 -9.777 10.981 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -8.316 -8.141 10.819 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -9.862 -8.666 10.352 1.00 10.00 H new ATOM 1007 N GLU A 64 -8.989 -4.576 8.384 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.252 -3.730 9.563 1.00 10.00 C ATOM 1009 C GLU A 64 -9.171 -2.232 9.236 1.00 10.00 C ATOM 1010 O GLU A 64 -9.856 -1.427 9.875 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.304 -4.108 10.712 1.00 10.00 C ATOM 1012 CG GLU A 64 -8.813 -5.381 11.399 1.00 10.00 C ATOM 1013 CD GLU A 64 -7.737 -6.045 12.270 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -7.376 -5.498 13.340 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -7.286 -7.153 11.890 1.00 10.00 O ATOM 0 H GLU A 64 -8.052 -4.979 8.370 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.277 -3.919 9.883 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.296 -4.267 10.328 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.245 -3.292 11.432 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.677 -5.137 12.017 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.152 -6.089 10.642 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.434 -1.868 8.179 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.498 -0.515 7.588 1.00 10.00 C ATOM 1024 C TYR A 65 -9.772 -0.299 6.747 1.00 10.00 C ATOM 1025 O TYR A 65 -10.123 0.845 6.443 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.274 -0.223 6.711 1.00 10.00 C ATOM 1027 CG TYR A 65 -5.957 -0.633 7.325 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -5.452 -0.005 8.481 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.278 -1.723 6.757 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -4.283 -0.495 9.082 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.130 -2.240 7.373 1.00 10.00 C ATOM 1032 CZ TYR A 65 -3.636 -1.614 8.530 1.00 10.00 C ATOM 1033 OH TYR A 65 -2.522 -2.074 9.129 1.00 10.00 O ATOM 0 H TYR A 65 -7.780 -2.494 7.709 1.00 10.00 H new ATOM 0 HA TYR A 65 -8.516 0.174 8.433 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.393 -0.739 5.758 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.244 0.845 6.494 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -5.962 0.849 8.902 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.642 -2.165 5.841 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -3.883 -0.016 9.963 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.632 -3.107 6.964 1.00 10.00 H new ATOM 0 HH TYR A 65 -2.378 -3.010 8.877 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.469 -1.396 6.407 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.747 -1.459 5.672 1.00 10.00 C ATOM 1045 C LYS A 66 -11.622 -0.942 4.230 1.00 10.00 C ATOM 1046 O LYS A 66 -12.472 -0.188 3.747 1.00 10.00 O ATOM 1047 CB LYS A 66 -12.879 -0.814 6.507 1.00 10.00 C ATOM 1048 CG LYS A 66 -12.989 -1.441 7.911 1.00 10.00 C ATOM 1049 CD LYS A 66 -13.954 -0.682 8.830 1.00 10.00 C ATOM 1050 CE LYS A 66 -13.846 -1.191 10.276 1.00 10.00 C ATOM 1051 NZ LYS A 66 -12.573 -0.775 10.936 1.00 10.00 N ATOM 0 H LYS A 66 -10.133 -2.327 6.655 1.00 10.00 H new ATOM 0 HA LYS A 66 -12.030 -2.503 5.541 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -12.695 0.256 6.601 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -13.828 -0.930 5.983 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.322 -2.474 7.817 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.001 -1.465 8.371 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -13.731 0.384 8.798 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -14.976 -0.805 8.472 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -14.690 -0.815 10.854 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -13.915 -2.279 10.281 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -12.586 -1.070 11.933 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -11.769 -1.224 10.453 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -12.476 0.259 10.882 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.527 -1.313 3.559 1.00 10.00 N ATOM 1066 CA ILE A 67 -10.203 -0.896 2.190 1.00 10.00 C ATOM 1067 C ILE A 67 -11.172 -1.556 1.193 1.00 10.00 C ATOM 1068 O ILE A 67 -11.574 -2.707 1.380 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.720 -1.196 1.883 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.844 -0.685 3.049 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -8.324 -0.566 0.539 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.385 -0.380 2.734 1.00 10.00 C ATOM 0 H ILE A 67 -9.822 -1.929 3.964 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.334 0.181 2.088 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.564 -2.271 1.793 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -8.302 0.221 3.445 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -7.871 -1.430 3.845 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -7.276 -0.783 0.330 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.945 -0.981 -0.255 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.469 0.513 0.586 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.883 -0.031 3.636 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -5.894 -1.284 2.373 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -6.332 0.393 1.967 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.529 -0.844 0.125 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.458 -1.302 -0.917 1.00 10.00 C ATOM 1086 C ASP A 68 -11.810 -1.251 -2.310 1.00 10.00 C ATOM 1087 O ASP A 68 -11.065 -0.321 -2.626 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.732 -0.450 -0.859 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.793 -0.962 -1.840 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -14.744 -0.568 -3.028 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.656 -1.777 -1.433 1.00 10.00 O ATOM 0 H ASP A 68 -11.171 0.096 -0.048 1.00 10.00 H new ATOM 0 HA ASP A 68 -12.716 -2.345 -0.733 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -14.134 -0.463 0.154 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -13.489 0.587 -1.092 1.00 10.00 H new ATOM 1096 N GLU A 69 -12.101 -2.245 -3.154 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.493 -2.422 -4.484 1.00 10.00 C ATOM 1098 C GLU A 69 -11.780 -1.273 -5.478 1.00 10.00 C ATOM 1099 O GLU A 69 -11.089 -1.160 -6.495 1.00 10.00 O ATOM 1100 CB GLU A 69 -11.935 -3.764 -5.099 1.00 10.00 C ATOM 1101 CG GLU A 69 -11.745 -4.971 -4.167 1.00 10.00 C ATOM 1102 CD GLU A 69 -11.883 -6.298 -4.934 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -13.027 -6.712 -5.244 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -10.843 -6.941 -5.220 1.00 10.00 O ATOM 0 H GLU A 69 -12.783 -2.970 -2.929 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.416 -2.413 -4.315 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -12.986 -3.695 -5.378 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -11.372 -3.934 -6.017 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -10.762 -4.920 -3.698 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -12.483 -4.934 -3.365 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.769 -0.412 -5.189 1.00 10.00 N ATOM 1112 CA LYS A 70 -13.142 0.770 -5.992 1.00 10.00 C ATOM 1113 C LYS A 70 -12.641 2.095 -5.392 1.00 10.00 C ATOM 1114 O LYS A 70 -12.786 3.143 -6.028 1.00 10.00 O ATOM 1115 CB LYS A 70 -14.672 0.810 -6.190 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.307 -0.479 -6.745 1.00 10.00 C ATOM 1117 CD LYS A 70 -14.757 -0.889 -8.123 1.00 10.00 C ATOM 1118 CE LYS A 70 -15.415 -2.168 -8.661 1.00 10.00 C ATOM 1119 NZ LYS A 70 -16.842 -1.966 -9.031 1.00 10.00 N ATOM 0 H LYS A 70 -13.354 -0.521 -4.360 1.00 10.00 H new ATOM 0 HA LYS A 70 -12.647 0.666 -6.957 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -15.138 1.039 -5.232 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -14.911 1.631 -6.866 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -15.138 -1.292 -6.038 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -16.386 -0.341 -6.819 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -14.917 -0.076 -8.831 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -13.680 -1.041 -8.050 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -14.863 -2.516 -9.534 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -15.347 -2.952 -7.907 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -17.233 -2.855 -9.404 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -17.381 -1.676 -8.190 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -16.911 -1.226 -9.758 1.00 10.00 H new ATOM 1133 N ASN A 71 -12.025 2.060 -4.207 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.357 3.201 -3.568 1.00 10.00 C ATOM 1135 C ASN A 71 -9.829 3.126 -3.783 1.00 10.00 C ATOM 1136 O ASN A 71 -9.317 2.158 -4.357 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.731 3.228 -2.070 1.00 10.00 C ATOM 1138 CG ASN A 71 -13.195 3.546 -1.788 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -13.972 3.951 -2.644 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -13.612 3.396 -0.552 1.00 10.00 N ATOM 0 H ASN A 71 -11.975 1.209 -3.646 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.693 4.132 -4.024 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -11.492 2.259 -1.632 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.108 3.968 -1.567 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -14.578 3.616 -0.309 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -12.970 3.059 0.165 1.00 10.00 H new ATOM 1147 N PHE A 72 -9.087 4.137 -3.316 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.624 4.190 -3.429 1.00 10.00 C ATOM 1149 C PHE A 72 -6.903 4.592 -2.130 1.00 10.00 C ATOM 1150 O PHE A 72 -7.499 5.072 -1.165 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.192 5.017 -4.656 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.530 6.495 -4.674 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.874 7.397 -3.813 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.428 6.988 -5.640 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -7.140 8.774 -3.895 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.670 8.368 -5.742 1.00 10.00 C ATOM 1157 CZ PHE A 72 -8.037 9.261 -4.861 1.00 10.00 C ATOM 0 H PHE A 72 -9.488 4.948 -2.845 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.291 3.166 -3.597 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -6.111 4.920 -4.760 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.639 4.562 -5.540 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.164 7.028 -3.087 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -8.933 6.303 -6.305 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -6.655 9.459 -3.215 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.343 8.743 -6.498 1.00 10.00 H new ATOM 0 HZ PHE A 72 -8.239 10.320 -4.926 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.595 4.350 -2.136 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.622 4.392 -1.034 1.00 10.00 C ATOM 1169 C VAL A 73 -3.452 5.263 -1.497 1.00 10.00 C ATOM 1170 O VAL A 73 -3.163 5.313 -2.690 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.167 2.942 -0.731 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -2.805 2.775 -0.039 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -5.207 2.232 0.136 1.00 10.00 C ATOM 0 H VAL A 73 -5.134 4.090 -3.008 1.00 10.00 H new ATOM 0 HA VAL A 73 -5.045 4.813 -0.122 1.00 10.00 H new ATOM 0 HB VAL A 73 -4.061 2.504 -1.724 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.604 1.715 0.117 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -2.023 3.205 -0.666 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -2.821 3.287 0.923 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -4.876 1.214 0.342 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.327 2.771 1.076 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -6.161 2.203 -0.390 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.762 5.946 -0.586 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.590 6.784 -0.900 1.00 10.00 C ATOM 1185 C VAL A 74 -0.341 6.170 -0.263 1.00 10.00 C ATOM 1186 O VAL A 74 -0.413 5.629 0.838 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.785 8.248 -0.447 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.700 9.158 -1.040 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -3.148 8.818 -0.865 1.00 10.00 C ATOM 0 H VAL A 74 -2.998 5.938 0.406 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.467 6.810 -1.983 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.722 8.229 0.641 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.861 10.183 -0.705 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.281 8.818 -0.708 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.748 9.120 -2.128 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -3.232 9.849 -0.521 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -3.237 8.789 -1.951 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -3.944 8.221 -0.420 1.00 10.00 H new ATOM 1199 N VAL A 75 0.807 6.263 -0.937 1.00 10.00 N ATOM 1200 CA VAL A 75 2.098 5.706 -0.501 1.00 10.00 C ATOM 1201 C VAL A 75 3.140 6.829 -0.408 1.00 10.00 C ATOM 1202 O VAL A 75 3.230 7.691 -1.283 1.00 10.00 O ATOM 1203 CB VAL A 75 2.584 4.595 -1.456 1.00 10.00 C ATOM 1204 CG1 VAL A 75 3.783 3.820 -0.892 1.00 10.00 C ATOM 1205 CG2 VAL A 75 1.490 3.579 -1.828 1.00 10.00 C ATOM 0 H VAL A 75 0.870 6.745 -1.834 1.00 10.00 H new ATOM 0 HA VAL A 75 1.963 5.256 0.483 1.00 10.00 H new ATOM 0 HB VAL A 75 2.880 5.134 -2.356 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.085 3.050 -1.602 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.613 4.506 -0.725 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.503 3.353 0.052 1.00 10.00 H new ATOM 0 HG21 VAL A 75 1.904 2.828 -2.501 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.123 3.093 -0.924 1.00 10.00 H new ATOM 0 HG23 VAL A 75 0.667 4.095 -2.322 1.00 10.00 H new ATOM 1215 N MET A 76 3.931 6.803 0.664 1.00 10.00 N ATOM 1216 CA MET A 76 4.891 7.824 1.099 1.00 10.00 C ATOM 1217 C MET A 76 6.230 7.157 1.473 1.00 10.00 C ATOM 1218 O MET A 76 6.280 5.947 1.685 1.00 10.00 O ATOM 1219 CB MET A 76 4.225 8.553 2.284 1.00 10.00 C ATOM 1220 CG MET A 76 5.068 9.662 2.923 1.00 10.00 C ATOM 1221 SD MET A 76 4.262 10.541 4.292 1.00 10.00 S ATOM 1222 CE MET A 76 3.017 11.510 3.396 1.00 10.00 C ATOM 0 H MET A 76 3.918 6.007 1.302 1.00 10.00 H new ATOM 0 HA MET A 76 5.130 8.543 0.316 1.00 10.00 H new ATOM 0 HB2 MET A 76 3.284 8.985 1.942 1.00 10.00 H new ATOM 0 HB3 MET A 76 3.979 7.818 3.050 1.00 10.00 H new ATOM 0 HG2 MET A 76 5.999 9.227 3.287 1.00 10.00 H new ATOM 0 HG3 MET A 76 5.335 10.386 2.153 1.00 10.00 H new ATOM 0 HE1 MET A 76 2.512 12.183 4.089 1.00 10.00 H new ATOM 0 HE2 MET A 76 3.503 12.093 2.614 1.00 10.00 H new ATOM 0 HE3 MET A 76 2.287 10.837 2.946 1.00 10.00 H new ATOM 1232 N VAL A 77 7.323 7.919 1.573 1.00 10.00 N ATOM 1233 CA VAL A 77 8.619 7.442 2.104 1.00 10.00 C ATOM 1234 C VAL A 77 9.144 8.424 3.153 1.00 10.00 C ATOM 1235 O VAL A 77 9.086 9.640 2.955 1.00 10.00 O ATOM 1236 CB VAL A 77 9.654 7.235 0.975 1.00 10.00 C ATOM 1237 CG1 VAL A 77 11.013 6.756 1.509 1.00 10.00 C ATOM 1238 CG2 VAL A 77 9.176 6.190 -0.041 1.00 10.00 C ATOM 0 H VAL A 77 7.341 8.898 1.286 1.00 10.00 H new ATOM 0 HA VAL A 77 8.459 6.472 2.575 1.00 10.00 H new ATOM 0 HB VAL A 77 9.764 8.211 0.503 1.00 10.00 H new ATOM 0 HG11 VAL A 77 11.705 6.625 0.677 1.00 10.00 H new ATOM 0 HG12 VAL A 77 11.413 7.497 2.201 1.00 10.00 H new ATOM 0 HG13 VAL A 77 10.886 5.806 2.028 1.00 10.00 H new ATOM 0 HG21 VAL A 77 9.928 6.070 -0.821 1.00 10.00 H new ATOM 0 HG22 VAL A 77 9.021 5.236 0.464 1.00 10.00 H new ATOM 0 HG23 VAL A 77 8.239 6.520 -0.489 1.00 10.00 H new ATOM 1248 N THR A 78 9.672 7.896 4.260 1.00 10.00 N ATOM 1249 CA THR A 78 10.233 8.662 5.385 1.00 10.00 C ATOM 1250 C THR A 78 11.516 8.005 5.900 1.00 10.00 C ATOM 1251 O THR A 78 11.684 6.786 5.808 1.00 10.00 O ATOM 1252 CB THR A 78 9.220 8.810 6.541 1.00 10.00 C ATOM 1253 OG1 THR A 78 8.645 7.571 6.915 1.00 10.00 O ATOM 1254 CG2 THR A 78 8.059 9.737 6.179 1.00 10.00 C ATOM 0 H THR A 78 9.724 6.888 4.407 1.00 10.00 H new ATOM 0 HA THR A 78 10.465 9.659 5.010 1.00 10.00 H new ATOM 0 HB THR A 78 9.801 9.226 7.364 1.00 10.00 H new ATOM 0 HG1 THR A 78 8.012 7.713 7.650 1.00 10.00 H new ATOM 0 HG21 THR A 78 7.374 9.809 7.024 1.00 10.00 H new ATOM 0 HG22 THR A 78 8.445 10.728 5.940 1.00 10.00 H new ATOM 0 HG23 THR A 78 7.529 9.336 5.315 1.00 10.00 H new ATOM 1262 N LYS A 79 12.437 8.819 6.435 1.00 10.00 N ATOM 1263 CA LYS A 79 13.780 8.419 6.907 1.00 10.00 C ATOM 1264 C LYS A 79 14.537 7.443 5.958 1.00 10.00 C ATOM 1265 O LYS A 79 14.968 6.371 6.397 1.00 10.00 O ATOM 1266 CB LYS A 79 13.630 7.918 8.362 1.00 10.00 C ATOM 1267 CG LYS A 79 14.924 7.858 9.197 1.00 10.00 C ATOM 1268 CD LYS A 79 15.569 9.236 9.424 1.00 10.00 C ATOM 1269 CE LYS A 79 16.736 9.183 10.420 1.00 10.00 C ATOM 1270 NZ LYS A 79 17.910 8.445 9.886 1.00 10.00 N ATOM 0 H LYS A 79 12.264 9.817 6.558 1.00 10.00 H new ATOM 0 HA LYS A 79 14.441 9.285 6.891 1.00 10.00 H new ATOM 0 HB2 LYS A 79 12.920 8.566 8.876 1.00 10.00 H new ATOM 0 HB3 LYS A 79 13.191 6.920 8.338 1.00 10.00 H new ATOM 0 HG2 LYS A 79 14.703 7.405 10.163 1.00 10.00 H new ATOM 0 HG3 LYS A 79 15.641 7.208 8.696 1.00 10.00 H new ATOM 0 HD2 LYS A 79 15.926 9.627 8.472 1.00 10.00 H new ATOM 0 HD3 LYS A 79 14.814 9.931 9.791 1.00 10.00 H new ATOM 0 HE2 LYS A 79 17.036 10.199 10.677 1.00 10.00 H new ATOM 0 HE3 LYS A 79 16.401 8.707 11.342 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 18.669 8.439 10.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 17.634 7.467 9.665 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 18.250 8.912 9.021 1.00 10.00 H new ATOM 1284 N PRO A 80 14.693 7.767 4.655 1.00 10.00 N ATOM 1285 CA PRO A 80 15.451 6.944 3.704 1.00 10.00 C ATOM 1286 C PRO A 80 16.969 6.982 3.979 1.00 10.00 C ATOM 1287 O PRO A 80 17.452 7.763 4.805 1.00 10.00 O ATOM 1288 CB PRO A 80 15.107 7.521 2.326 1.00 10.00 C ATOM 1289 CG PRO A 80 14.909 9.007 2.618 1.00 10.00 C ATOM 1290 CD PRO A 80 14.247 8.993 3.997 1.00 10.00 C ATOM 0 HA PRO A 80 15.185 5.890 3.784 1.00 10.00 H new ATOM 0 HB2 PRO A 80 15.909 7.354 1.607 1.00 10.00 H new ATOM 0 HB3 PRO A 80 14.207 7.067 1.911 1.00 10.00 H new ATOM 0 HG2 PRO A 80 15.856 9.547 2.629 1.00 10.00 H new ATOM 0 HG3 PRO A 80 14.277 9.486 1.870 1.00 10.00 H new ATOM 0 HD2 PRO A 80 14.535 9.871 4.575 1.00 10.00 H new ATOM 0 HD3 PRO A 80 13.161 9.013 3.907 1.00 10.00 H new ATOM 1298 N LYS A 81 17.741 6.168 3.242 1.00 10.00 N ATOM 1299 CA LYS A 81 19.220 6.131 3.240 1.00 10.00 C ATOM 1300 C LYS A 81 19.839 7.355 2.525 1.00 10.00 C ATOM 1301 O LYS A 81 20.581 7.226 1.551 1.00 10.00 O ATOM 1302 CB LYS A 81 19.678 4.770 2.667 1.00 10.00 C ATOM 1303 CG LYS A 81 21.168 4.418 2.866 1.00 10.00 C ATOM 1304 CD LYS A 81 21.662 4.375 4.323 1.00 10.00 C ATOM 1305 CE LYS A 81 20.895 3.346 5.165 1.00 10.00 C ATOM 1306 NZ LYS A 81 21.454 3.238 6.538 1.00 10.00 N ATOM 0 H LYS A 81 17.337 5.485 2.601 1.00 10.00 H new ATOM 0 HA LYS A 81 19.593 6.210 4.261 1.00 10.00 H new ATOM 0 HB2 LYS A 81 19.076 3.985 3.124 1.00 10.00 H new ATOM 0 HB3 LYS A 81 19.462 4.757 1.599 1.00 10.00 H new ATOM 0 HG2 LYS A 81 21.355 3.445 2.411 1.00 10.00 H new ATOM 0 HG3 LYS A 81 21.769 5.146 2.321 1.00 10.00 H new ATOM 0 HD2 LYS A 81 22.725 4.134 4.338 1.00 10.00 H new ATOM 0 HD3 LYS A 81 21.553 5.363 4.771 1.00 10.00 H new ATOM 0 HE2 LYS A 81 19.844 3.631 5.220 1.00 10.00 H new ATOM 0 HE3 LYS A 81 20.936 2.372 4.677 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 20.912 2.534 7.079 1.00 10.00 H new ATOM 0 HZ2 LYS A 81 22.450 2.942 6.485 1.00 10.00 H new ATOM 0 HZ3 LYS A 81 21.392 4.162 7.012 1.00 10.00 H new ATOM 1320 N ALA A 82 19.484 8.561 2.968 1.00 10.00 N ATOM 1321 CA ALA A 82 20.013 9.828 2.463 1.00 10.00 C ATOM 1322 C ALA A 82 21.497 10.014 2.852 1.00 10.00 C ATOM 1323 O ALA A 82 21.812 10.405 3.980 1.00 10.00 O ATOM 1324 CB ALA A 82 19.121 10.966 2.982 1.00 10.00 C ATOM 0 H ALA A 82 18.798 8.687 3.712 1.00 10.00 H new ATOM 0 HA ALA A 82 19.992 9.834 1.373 1.00 10.00 H new ATOM 0 HB1 ALA A 82 19.499 11.921 2.616 1.00 10.00 H new ATOM 0 HB2 ALA A 82 18.101 10.820 2.627 1.00 10.00 H new ATOM 0 HB3 ALA A 82 19.129 10.966 4.072 1.00 10.00 H new ATOM 1330 N VAL A 83 22.410 9.730 1.913 1.00 10.00 N ATOM 1331 CA VAL A 83 23.881 9.776 2.107 1.00 10.00 C ATOM 1332 C VAL A 83 24.631 10.535 0.995 1.00 10.00 C ATOM 1333 O VAL A 83 25.860 10.611 1.014 1.00 10.00 O ATOM 1334 CB VAL A 83 24.472 8.360 2.310 1.00 10.00 C ATOM 1335 CG1 VAL A 83 23.889 7.666 3.549 1.00 10.00 C ATOM 1336 CG2 VAL A 83 24.270 7.439 1.099 1.00 10.00 C ATOM 0 H VAL A 83 22.146 9.453 0.967 1.00 10.00 H new ATOM 0 HA VAL A 83 24.036 10.350 3.020 1.00 10.00 H new ATOM 0 HB VAL A 83 25.541 8.524 2.445 1.00 10.00 H new ATOM 0 HG11 VAL A 83 24.331 6.675 3.653 1.00 10.00 H new ATOM 0 HG12 VAL A 83 24.112 8.258 4.436 1.00 10.00 H new ATOM 0 HG13 VAL A 83 22.809 7.571 3.438 1.00 10.00 H new ATOM 0 HG21 VAL A 83 24.707 6.463 1.307 1.00 10.00 H new ATOM 0 HG22 VAL A 83 23.204 7.325 0.903 1.00 10.00 H new ATOM 0 HG23 VAL A 83 24.755 7.875 0.226 1.00 10.00 H new ATOM 1346 N SER A 84 23.900 11.124 0.039 1.00 10.00 N ATOM 1347 CA SER A 84 24.420 11.953 -1.067 1.00 10.00 C ATOM 1348 C SER A 84 23.652 13.278 -1.184 1.00 10.00 C ATOM 1349 O SER A 84 22.458 13.339 -0.870 1.00 10.00 O ATOM 1350 CB SER A 84 24.331 11.200 -2.401 1.00 10.00 C ATOM 1351 OG SER A 84 25.136 10.030 -2.395 1.00 10.00 O ATOM 0 H SER A 84 22.884 11.034 0.010 1.00 10.00 H new ATOM 0 HA SER A 84 25.464 12.170 -0.841 1.00 10.00 H new ATOM 0 HB2 SER A 84 23.294 10.928 -2.598 1.00 10.00 H new ATOM 0 HB3 SER A 84 24.648 11.856 -3.212 1.00 10.00 H new ATOM 0 HG SER A 84 25.055 9.573 -3.258 1.00 10.00 H new ATOM 1357 N THR A 85 24.326 14.332 -1.663 1.00 10.00 N ATOM 1358 CA THR A 85 23.798 15.706 -1.830 1.00 10.00 C ATOM 1359 C THR A 85 24.316 16.374 -3.105 1.00 10.00 C ATOM 1360 O THR A 85 25.545 16.348 -3.349 1.00 10.00 O ATOM 1361 CB THR A 85 24.128 16.605 -0.627 1.00 10.00 C ATOM 1362 OG1 THR A 85 25.498 16.527 -0.292 1.00 10.00 O ATOM 1363 CG2 THR A 85 23.317 16.236 0.619 1.00 10.00 C ATOM 1364 OXT THR A 85 23.485 16.916 -3.869 1.00 10.00 O ATOM 0 H THR A 85 25.299 14.254 -1.960 1.00 10.00 H new ATOM 0 HA THR A 85 22.716 15.594 -1.903 1.00 10.00 H new ATOM 0 HB THR A 85 23.868 17.618 -0.935 1.00 10.00 H new ATOM 0 HG1 THR A 85 26.032 16.457 -1.111 1.00 10.00 H new ATOM 0 HG21 THR A 85 23.588 16.901 1.439 1.00 10.00 H new ATOM 0 HG22 THR A 85 22.253 16.339 0.404 1.00 10.00 H new ATOM 0 HG23 THR A 85 23.532 15.205 0.901 1.00 10.00 H new TER 1372 THR A 85