USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1001 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 112 THR OG1 : rot 180:sc= -0.317 USER MOD Set 1.2: A 115 ASN : amide:sc= -5.31! K(o=-5.6!,f=-0.53) USER MOD Set 2.1: A 41 LYS NZ :NH3+ -140:sc= -2.05 (180deg=0) USER MOD Set 2.2: A 106 LYS NZ :NH3+ -136:sc= -6.48! (180deg=-7.86!) USER MOD Set 3.1: A 40 SER OG : rot 62:sc= 1.2 USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= 1.09 USER MOD Set 4.1: A 32 THR OG1 : rot 39:sc= 0.128 USER MOD Set 4.2: A 110 GLN : amide:sc= -1.34 K(o=-1.2,f=0.48) USER MOD Single : A 10 THR OG1 : rot 89:sc= 0.739 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 137:sc= -2.99! (180deg=-5.45!) USER MOD Single : A 17 THR OG1 : rot 87:sc= 1.03 USER MOD Single : A 19 ASN : amide:sc= -3.42! K(o=-3.4!,f=-1.5) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -86:sc= 0.733 USER MOD Single : A 24 GLN : amide:sc= -1.05 K(o=-1.1,f=-1.9!) USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0.049 (180deg=0.0477) USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.391 USER MOD Single : A 29 THR OG1 : rot -26:sc= 0.543 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.081 USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 0.518 (180deg=-0.749!) USER MOD Single : A 48 THR OG1 : rot 64:sc= -1.91! USER MOD Single : A 54 THR OG1 : rot 74:sc= 0.395 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot -15:sc= 0.786 USER MOD Single : A 61 SER OG : rot 82:sc= 1.06 USER MOD Single : A 62 HIS : no HD1:sc= -0.0643 X(o=-0.064,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.87) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.84) USER MOD Single : A 76 GLN : amide:sc= -0.245 K(o=-0.25,f=-1) USER MOD Single : A 78 HIS : no HD1:sc= -1.29! K(o=-1.3!,f=-0.47) USER MOD Single : A 80 HIS : no HE2:sc= -6.29! C(o=-6.3!,f=-5.1!) USER MOD Single : A 81 LYS NZ :NH3+ 128:sc= -0.0613 (180deg=-1.13) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -6.61! C(o=-6.6!,f=-3!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 170:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 80:sc= 0.802 USER MOD Single : A 124 MET CE :methyl 177:sc= -0.456 (180deg=-0.463) USER MOD Single : A 127 LYS NZ :NH3+ -159:sc= -0.312! (180deg=-1.61!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.756 6.687 1.301 1.00 0.64 N ATOM 103 CA ASP A 8 -16.657 6.850 2.294 1.00 0.58 C ATOM 104 C ASP A 8 -15.624 7.841 1.754 1.00 0.60 C ATOM 105 O ASP A 8 -15.363 7.896 0.569 1.00 0.80 O ATOM 106 CB ASP A 8 -15.986 5.497 2.538 1.00 0.56 C ATOM 107 CG ASP A 8 -15.601 5.377 4.014 1.00 0.65 C ATOM 108 OD1 ASP A 8 -14.774 6.158 4.455 1.00 1.16 O ATOM 109 OD2 ASP A 8 -16.138 4.505 4.677 1.00 1.28 O ATOM 0 HA ASP A 8 -17.067 7.227 3.231 1.00 0.58 H new ATOM 0 HB2 ASP A 8 -16.662 4.688 2.261 1.00 0.56 H new ATOM 0 HB3 ASP A 8 -15.100 5.400 1.911 1.00 0.56 H new ATOM 114 N ILE A 9 -15.034 8.625 2.614 1.00 0.52 N ATOM 115 CA ILE A 9 -14.018 9.612 2.150 1.00 0.64 C ATOM 116 C ILE A 9 -12.623 8.989 2.244 1.00 0.56 C ATOM 117 O ILE A 9 -11.670 9.494 1.685 1.00 0.76 O ATOM 118 CB ILE A 9 -14.080 10.860 3.032 1.00 0.75 C ATOM 119 CG1 ILE A 9 -13.009 11.856 2.580 1.00 0.95 C ATOM 120 CG2 ILE A 9 -13.828 10.470 4.489 1.00 0.66 C ATOM 121 CD1 ILE A 9 -13.563 13.278 2.671 1.00 0.77 C ATOM 0 H ILE A 9 -15.212 8.625 3.618 1.00 0.52 H new ATOM 0 HA ILE A 9 -14.224 9.888 1.116 1.00 0.64 H new ATOM 0 HB ILE A 9 -15.065 11.318 2.944 1.00 0.75 H new ATOM 0 HG12 ILE A 9 -12.121 11.760 3.205 1.00 0.95 H new ATOM 0 HG13 ILE A 9 -12.704 11.638 1.557 1.00 0.95 H new ATOM 0 HG21 ILE A 9 -13.872 11.360 5.117 1.00 0.66 H new ATOM 0 HG22 ILE A 9 -14.589 9.760 4.812 1.00 0.66 H new ATOM 0 HG23 ILE A 9 -12.843 10.012 4.578 1.00 0.66 H new ATOM 0 HD11 ILE A 9 -12.800 13.987 2.349 1.00 0.77 H new ATOM 0 HD12 ILE A 9 -14.438 13.369 2.028 1.00 0.77 H new ATOM 0 HD13 ILE A 9 -13.846 13.493 3.701 1.00 0.77 H new ATOM 133 N THR A 10 -12.496 7.897 2.947 1.00 0.30 N ATOM 134 CA THR A 10 -11.163 7.244 3.076 1.00 0.28 C ATOM 135 C THR A 10 -10.766 6.625 1.734 1.00 0.21 C ATOM 136 O THR A 10 -9.674 6.831 1.244 1.00 0.25 O ATOM 137 CB THR A 10 -11.233 6.149 4.142 1.00 0.25 C ATOM 138 OG1 THR A 10 -12.022 6.603 5.233 1.00 0.27 O ATOM 139 CG2 THR A 10 -9.822 5.821 4.632 1.00 0.36 C ATOM 0 H THR A 10 -13.258 7.429 3.438 1.00 0.30 H new ATOM 0 HA THR A 10 -10.421 7.987 3.367 1.00 0.28 H new ATOM 0 HB THR A 10 -11.684 5.253 3.715 1.00 0.25 H new ATOM 0 HG1 THR A 10 -12.962 6.377 5.073 1.00 0.27 H new ATOM 0 HG21 THR A 10 -9.873 5.041 5.391 1.00 0.36 H new ATOM 0 HG22 THR A 10 -9.218 5.473 3.794 1.00 0.36 H new ATOM 0 HG23 THR A 10 -9.368 6.715 5.060 1.00 0.36 H new ATOM 147 N LEU A 11 -11.645 5.868 1.136 1.00 0.16 N ATOM 148 CA LEU A 11 -11.315 5.237 -0.173 1.00 0.17 C ATOM 149 C LEU A 11 -10.980 6.328 -1.192 1.00 0.24 C ATOM 150 O LEU A 11 -10.308 6.087 -2.175 1.00 0.27 O ATOM 151 CB LEU A 11 -12.519 4.429 -0.673 1.00 0.23 C ATOM 152 CG LEU A 11 -12.921 3.378 0.371 1.00 0.21 C ATOM 153 CD1 LEU A 11 -14.367 2.944 0.121 1.00 0.59 C ATOM 154 CD2 LEU A 11 -12.005 2.151 0.267 1.00 0.48 C ATOM 0 H LEU A 11 -12.576 5.660 1.497 1.00 0.16 H new ATOM 0 HA LEU A 11 -10.459 4.574 -0.050 1.00 0.17 H new ATOM 0 HB2 LEU A 11 -13.358 5.096 -0.870 1.00 0.23 H new ATOM 0 HB3 LEU A 11 -12.272 3.940 -1.616 1.00 0.23 H new ATOM 0 HG LEU A 11 -12.827 3.813 1.366 1.00 0.21 H new ATOM 0 HD11 LEU A 11 -14.656 2.197 0.861 1.00 0.59 H new ATOM 0 HD12 LEU A 11 -15.026 3.809 0.202 1.00 0.59 H new ATOM 0 HD13 LEU A 11 -14.451 2.516 -0.878 1.00 0.59 H new ATOM 0 HD21 LEU A 11 -12.300 1.413 1.013 1.00 0.48 H new ATOM 0 HD22 LEU A 11 -12.091 1.716 -0.729 1.00 0.48 H new ATOM 0 HD23 LEU A 11 -10.972 2.452 0.443 1.00 0.48 H new ATOM 166 N GLN A 12 -11.440 7.528 -0.963 1.00 0.29 N ATOM 167 CA GLN A 12 -11.145 8.632 -1.919 1.00 0.38 C ATOM 168 C GLN A 12 -9.702 9.103 -1.723 1.00 0.35 C ATOM 169 O GLN A 12 -8.848 8.879 -2.557 1.00 0.34 O ATOM 170 CB GLN A 12 -12.101 9.799 -1.661 1.00 0.49 C ATOM 171 CG GLN A 12 -12.010 10.799 -2.816 1.00 0.65 C ATOM 172 CD GLN A 12 -12.689 12.109 -2.413 1.00 1.14 C ATOM 173 OE1 GLN A 12 -12.028 13.097 -2.162 1.00 2.09 O ATOM 174 NE2 GLN A 12 -13.991 12.159 -2.339 1.00 1.17 N ATOM 0 H GLN A 12 -12.006 7.791 -0.156 1.00 0.29 H new ATOM 0 HA GLN A 12 -11.276 8.274 -2.940 1.00 0.38 H new ATOM 0 HB2 GLN A 12 -13.123 9.431 -1.564 1.00 0.49 H new ATOM 0 HB3 GLN A 12 -11.848 10.289 -0.721 1.00 0.49 H new ATOM 0 HG2 GLN A 12 -10.966 10.982 -3.071 1.00 0.65 H new ATOM 0 HG3 GLN A 12 -12.488 10.388 -3.705 1.00 0.65 H new ATOM 0 HE21 GLN A 12 -14.546 11.330 -2.550 1.00 1.17 H new ATOM 0 HE22 GLN A 12 -14.454 13.028 -2.070 1.00 1.17 H new ATOM 183 N GLU A 13 -9.425 9.754 -0.627 1.00 0.37 N ATOM 184 CA GLU A 13 -8.037 10.238 -0.380 1.00 0.38 C ATOM 185 C GLU A 13 -7.047 9.100 -0.634 1.00 0.25 C ATOM 186 O GLU A 13 -5.866 9.320 -0.814 1.00 0.38 O ATOM 187 CB GLU A 13 -7.912 10.709 1.071 1.00 0.46 C ATOM 188 CG GLU A 13 -7.655 9.506 1.979 1.00 0.48 C ATOM 189 CD GLU A 13 -8.033 9.861 3.419 1.00 0.99 C ATOM 190 OE1 GLU A 13 -9.213 10.038 3.674 1.00 1.94 O ATOM 191 OE2 GLU A 13 -7.136 9.951 4.240 1.00 1.52 O ATOM 0 H GLU A 13 -10.099 9.972 0.107 1.00 0.37 H new ATOM 0 HA GLU A 13 -7.816 11.068 -1.052 1.00 0.38 H new ATOM 0 HB2 GLU A 13 -7.097 11.427 1.162 1.00 0.46 H new ATOM 0 HB3 GLU A 13 -8.824 11.221 1.378 1.00 0.46 H new ATOM 0 HG2 GLU A 13 -8.238 8.650 1.640 1.00 0.48 H new ATOM 0 HG3 GLU A 13 -6.605 9.217 1.928 1.00 0.48 H new ATOM 198 N ILE A 14 -7.520 7.884 -0.652 1.00 0.03 N ATOM 199 CA ILE A 14 -6.606 6.733 -0.895 1.00 0.14 C ATOM 200 C ILE A 14 -6.291 6.638 -2.389 1.00 0.18 C ATOM 201 O ILE A 14 -5.165 6.817 -2.808 1.00 0.27 O ATOM 202 CB ILE A 14 -7.281 5.439 -0.433 1.00 0.25 C ATOM 203 CG1 ILE A 14 -7.120 5.295 1.083 1.00 0.32 C ATOM 204 CG2 ILE A 14 -6.627 4.245 -1.129 1.00 0.45 C ATOM 205 CD1 ILE A 14 -8.049 4.193 1.592 1.00 0.38 C ATOM 0 H ILE A 14 -8.500 7.638 -0.509 1.00 0.03 H new ATOM 0 HA ILE A 14 -5.681 6.880 -0.337 1.00 0.14 H new ATOM 0 HB ILE A 14 -8.341 5.471 -0.687 1.00 0.25 H new ATOM 0 HG12 ILE A 14 -6.085 5.055 1.328 1.00 0.32 H new ATOM 0 HG13 ILE A 14 -7.354 6.239 1.576 1.00 0.32 H new ATOM 0 HG21 ILE A 14 -7.108 3.324 -0.800 1.00 0.45 H new ATOM 0 HG22 ILE A 14 -6.739 4.347 -2.208 1.00 0.45 H new ATOM 0 HG23 ILE A 14 -5.567 4.212 -0.876 1.00 0.45 H new ATOM 0 HD11 ILE A 14 -7.935 4.090 2.671 1.00 0.38 H new ATOM 0 HD12 ILE A 14 -9.082 4.452 1.360 1.00 0.38 H new ATOM 0 HD13 ILE A 14 -7.794 3.250 1.109 1.00 0.38 H new ATOM 217 N ILE A 15 -7.277 6.358 -3.196 1.00 0.16 N ATOM 218 CA ILE A 15 -7.033 6.252 -4.663 1.00 0.23 C ATOM 219 C ILE A 15 -6.207 7.452 -5.130 1.00 0.26 C ATOM 220 O ILE A 15 -5.305 7.323 -5.935 1.00 0.44 O ATOM 221 CB ILE A 15 -8.372 6.236 -5.402 1.00 0.23 C ATOM 222 CG1 ILE A 15 -9.006 4.849 -5.274 1.00 0.29 C ATOM 223 CG2 ILE A 15 -8.143 6.556 -6.881 1.00 0.42 C ATOM 224 CD1 ILE A 15 -10.507 4.945 -5.558 1.00 0.16 C ATOM 0 H ILE A 15 -8.241 6.198 -2.904 1.00 0.16 H new ATOM 0 HA ILE A 15 -6.489 5.332 -4.876 1.00 0.23 H new ATOM 0 HB ILE A 15 -9.036 6.983 -4.967 1.00 0.23 H new ATOM 0 HG12 ILE A 15 -8.536 4.157 -5.973 1.00 0.29 H new ATOM 0 HG13 ILE A 15 -8.839 4.452 -4.273 1.00 0.29 H new ATOM 0 HG21 ILE A 15 -9.097 6.545 -7.408 1.00 0.42 H new ATOM 0 HG22 ILE A 15 -7.689 7.543 -6.974 1.00 0.42 H new ATOM 0 HG23 ILE A 15 -7.479 5.809 -7.316 1.00 0.42 H new ATOM 0 HD11 ILE A 15 -10.958 3.957 -5.467 1.00 0.16 H new ATOM 0 HD12 ILE A 15 -10.970 5.623 -4.841 1.00 0.16 H new ATOM 0 HD13 ILE A 15 -10.663 5.323 -6.568 1.00 0.16 H new ATOM 236 N LYS A 16 -6.508 8.621 -4.634 1.00 0.20 N ATOM 237 CA LYS A 16 -5.739 9.828 -5.050 1.00 0.29 C ATOM 238 C LYS A 16 -4.310 9.733 -4.513 1.00 0.36 C ATOM 239 O LYS A 16 -3.368 10.163 -5.149 1.00 0.53 O ATOM 240 CB LYS A 16 -6.414 11.082 -4.489 1.00 0.32 C ATOM 241 CG LYS A 16 -7.828 11.201 -5.059 1.00 1.04 C ATOM 242 CD LYS A 16 -8.318 12.644 -4.918 1.00 0.82 C ATOM 243 CE LYS A 16 -8.374 13.021 -3.437 1.00 1.18 C ATOM 244 NZ LYS A 16 -7.000 13.337 -2.952 1.00 2.59 N ATOM 0 H LYS A 16 -7.253 8.792 -3.959 1.00 0.20 H new ATOM 0 HA LYS A 16 -5.714 9.886 -6.138 1.00 0.29 H new ATOM 0 HB2 LYS A 16 -6.453 11.031 -3.401 1.00 0.32 H new ATOM 0 HB3 LYS A 16 -5.832 11.967 -4.746 1.00 0.32 H new ATOM 0 HG2 LYS A 16 -7.834 10.905 -6.108 1.00 1.04 H new ATOM 0 HG3 LYS A 16 -8.501 10.524 -4.533 1.00 1.04 H new ATOM 0 HD2 LYS A 16 -7.650 13.320 -5.451 1.00 0.82 H new ATOM 0 HD3 LYS A 16 -9.305 12.750 -5.369 1.00 0.82 H new ATOM 0 HE2 LYS A 16 -9.028 13.881 -3.294 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -8.796 12.200 -2.857 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -7.030 14.186 -2.352 1.00 2.59 H new ATOM 0 HZ2 LYS A 16 -6.634 12.535 -2.400 1.00 2.59 H new ATOM 0 HZ3 LYS A 16 -6.376 13.511 -3.766 1.00 2.59 H new ATOM 258 N THR A 17 -4.139 9.174 -3.347 1.00 0.25 N ATOM 259 CA THR A 17 -2.770 9.053 -2.771 1.00 0.31 C ATOM 260 C THR A 17 -1.942 8.091 -3.625 1.00 0.31 C ATOM 261 O THR A 17 -0.816 8.376 -3.984 1.00 0.37 O ATOM 262 CB THR A 17 -2.862 8.517 -1.340 1.00 0.30 C ATOM 263 OG1 THR A 17 -3.148 9.589 -0.453 1.00 0.59 O ATOM 264 CG2 THR A 17 -1.533 7.869 -0.950 1.00 0.56 C ATOM 0 H THR A 17 -4.888 8.796 -2.768 1.00 0.25 H new ATOM 0 HA THR A 17 -2.292 10.033 -2.760 1.00 0.31 H new ATOM 0 HB THR A 17 -3.657 7.773 -1.280 1.00 0.30 H new ATOM 0 HG1 THR A 17 -4.118 9.717 -0.396 1.00 0.59 H new ATOM 0 HG21 THR A 17 -1.599 7.488 0.069 1.00 0.56 H new ATOM 0 HG22 THR A 17 -1.315 7.047 -1.632 1.00 0.56 H new ATOM 0 HG23 THR A 17 -0.736 8.610 -1.009 1.00 0.56 H new ATOM 272 N LEU A 18 -2.488 6.953 -3.954 1.00 0.26 N ATOM 273 CA LEU A 18 -1.731 5.974 -4.784 1.00 0.29 C ATOM 274 C LEU A 18 -1.285 6.649 -6.083 1.00 0.31 C ATOM 275 O LEU A 18 -0.166 6.481 -6.528 1.00 0.38 O ATOM 276 CB LEU A 18 -2.628 4.779 -5.113 1.00 0.26 C ATOM 277 CG LEU A 18 -3.213 4.206 -3.819 1.00 0.33 C ATOM 278 CD1 LEU A 18 -4.111 3.013 -4.150 1.00 0.25 C ATOM 279 CD2 LEU A 18 -2.074 3.747 -2.904 1.00 0.62 C ATOM 0 H LEU A 18 -3.426 6.658 -3.684 1.00 0.26 H new ATOM 0 HA LEU A 18 -0.857 5.629 -4.232 1.00 0.29 H new ATOM 0 HB2 LEU A 18 -3.431 5.087 -5.782 1.00 0.26 H new ATOM 0 HB3 LEU A 18 -2.054 4.013 -5.635 1.00 0.26 H new ATOM 0 HG LEU A 18 -3.799 4.974 -3.314 1.00 0.33 H new ATOM 0 HD11 LEU A 18 -4.528 2.605 -3.229 1.00 0.25 H new ATOM 0 HD12 LEU A 18 -4.922 3.338 -4.802 1.00 0.25 H new ATOM 0 HD13 LEU A 18 -3.525 2.245 -4.655 1.00 0.25 H new ATOM 0 HD21 LEU A 18 -2.489 3.339 -1.983 1.00 0.62 H new ATOM 0 HD22 LEU A 18 -1.488 2.979 -3.409 1.00 0.62 H new ATOM 0 HD23 LEU A 18 -1.432 4.596 -2.668 1.00 0.62 H new ATOM 291 N ASN A 19 -2.149 7.411 -6.695 1.00 0.27 N ATOM 292 CA ASN A 19 -1.771 8.095 -7.963 1.00 0.31 C ATOM 293 C ASN A 19 -0.524 8.950 -7.729 1.00 0.32 C ATOM 294 O ASN A 19 0.436 8.883 -8.469 1.00 0.29 O ATOM 295 CB ASN A 19 -2.923 8.989 -8.425 1.00 0.33 C ATOM 296 CG ASN A 19 -4.060 8.119 -8.964 1.00 0.31 C ATOM 297 OD1 ASN A 19 -4.529 8.325 -10.067 1.00 1.11 O ATOM 298 ND2 ASN A 19 -4.527 7.146 -8.230 1.00 1.34 N ATOM 0 H ASN A 19 -3.100 7.589 -6.372 1.00 0.27 H new ATOM 0 HA ASN A 19 -1.562 7.349 -8.729 1.00 0.31 H new ATOM 0 HB2 ASN A 19 -3.280 9.599 -7.595 1.00 0.33 H new ATOM 0 HB3 ASN A 19 -2.577 9.675 -9.199 1.00 0.33 H new ATOM 0 HD21 ASN A 19 -5.284 6.560 -8.582 1.00 1.34 H new ATOM 0 HD22 ASN A 19 -4.135 6.972 -7.305 1.00 1.34 H new ATOM 305 N SER A 20 -0.531 9.756 -6.702 1.00 0.38 N ATOM 306 CA SER A 20 0.654 10.613 -6.421 1.00 0.40 C ATOM 307 C SER A 20 1.904 9.738 -6.315 1.00 0.42 C ATOM 308 O SER A 20 2.946 10.061 -6.846 1.00 0.39 O ATOM 309 CB SER A 20 0.441 11.361 -5.104 1.00 0.45 C ATOM 310 OG SER A 20 -0.399 12.485 -5.332 1.00 0.61 O ATOM 0 H SER A 20 -1.306 9.857 -6.046 1.00 0.38 H new ATOM 0 HA SER A 20 0.782 11.332 -7.230 1.00 0.40 H new ATOM 0 HB2 SER A 20 -0.011 10.699 -4.365 1.00 0.45 H new ATOM 0 HB3 SER A 20 1.399 11.685 -4.698 1.00 0.45 H new ATOM 0 HG SER A 20 -0.539 12.965 -4.489 1.00 0.61 H new ATOM 316 N LEU A 21 1.807 8.631 -5.629 1.00 0.49 N ATOM 317 CA LEU A 21 2.990 7.736 -5.488 1.00 0.52 C ATOM 318 C LEU A 21 3.526 7.374 -6.874 1.00 0.59 C ATOM 319 O LEU A 21 4.712 7.446 -7.129 1.00 0.70 O ATOM 320 CB LEU A 21 2.578 6.461 -4.750 1.00 0.44 C ATOM 321 CG LEU A 21 2.870 6.616 -3.256 1.00 0.30 C ATOM 322 CD1 LEU A 21 2.032 5.610 -2.466 1.00 0.36 C ATOM 323 CD2 LEU A 21 4.356 6.356 -2.991 1.00 0.24 C ATOM 0 H LEU A 21 0.960 8.309 -5.161 1.00 0.49 H new ATOM 0 HA LEU A 21 3.768 8.249 -4.922 1.00 0.52 H new ATOM 0 HB2 LEU A 21 1.517 6.266 -4.905 1.00 0.44 H new ATOM 0 HB3 LEU A 21 3.122 5.605 -5.150 1.00 0.44 H new ATOM 0 HG LEU A 21 2.618 7.629 -2.943 1.00 0.30 H new ATOM 0 HD11 LEU A 21 2.240 5.720 -1.402 1.00 0.36 H new ATOM 0 HD12 LEU A 21 0.974 5.794 -2.650 1.00 0.36 H new ATOM 0 HD13 LEU A 21 2.285 4.598 -2.782 1.00 0.36 H new ATOM 0 HD21 LEU A 21 4.561 6.467 -1.926 1.00 0.24 H new ATOM 0 HD22 LEU A 21 4.610 5.344 -3.306 1.00 0.24 H new ATOM 0 HD23 LEU A 21 4.956 7.072 -3.552 1.00 0.24 H new ATOM 335 N THR A 22 2.664 6.983 -7.773 1.00 0.55 N ATOM 336 CA THR A 22 3.130 6.616 -9.140 1.00 0.66 C ATOM 337 C THR A 22 3.951 7.766 -9.725 1.00 0.77 C ATOM 338 O THR A 22 4.997 7.560 -10.309 1.00 0.95 O ATOM 339 CB THR A 22 1.920 6.344 -10.038 1.00 0.64 C ATOM 340 OG1 THR A 22 1.221 7.560 -10.269 1.00 0.70 O ATOM 341 CG2 THR A 22 0.990 5.340 -9.356 1.00 0.68 C ATOM 0 H THR A 22 1.659 6.902 -7.620 1.00 0.55 H new ATOM 0 HA THR A 22 3.748 5.720 -9.084 1.00 0.66 H new ATOM 0 HB THR A 22 2.259 5.933 -10.989 1.00 0.64 H new ATOM 0 HG1 THR A 22 0.587 7.717 -9.538 1.00 0.70 H new ATOM 0 HG21 THR A 22 0.129 5.148 -9.997 1.00 0.68 H new ATOM 0 HG22 THR A 22 1.527 4.408 -9.180 1.00 0.68 H new ATOM 0 HG23 THR A 22 0.650 5.748 -8.404 1.00 0.68 H new ATOM 349 N GLU A 23 3.488 8.977 -9.573 1.00 0.70 N ATOM 350 CA GLU A 23 4.246 10.137 -10.121 1.00 0.81 C ATOM 351 C GLU A 23 5.709 10.042 -9.685 1.00 0.77 C ATOM 352 O GLU A 23 6.608 10.425 -10.406 1.00 0.81 O ATOM 353 CB GLU A 23 3.640 11.439 -9.594 1.00 0.85 C ATOM 354 CG GLU A 23 2.145 11.475 -9.916 1.00 0.97 C ATOM 355 CD GLU A 23 1.579 12.854 -9.572 1.00 1.74 C ATOM 356 OE1 GLU A 23 1.655 13.230 -8.414 1.00 2.80 O ATOM 357 OE2 GLU A 23 1.081 13.509 -10.471 1.00 1.59 O ATOM 0 H GLU A 23 2.619 9.213 -9.094 1.00 0.70 H new ATOM 0 HA GLU A 23 4.190 10.125 -11.209 1.00 0.81 H new ATOM 0 HB2 GLU A 23 3.792 11.513 -8.517 1.00 0.85 H new ATOM 0 HB3 GLU A 23 4.141 12.295 -10.047 1.00 0.85 H new ATOM 0 HG2 GLU A 23 1.985 11.258 -10.972 1.00 0.97 H new ATOM 0 HG3 GLU A 23 1.622 10.704 -9.350 1.00 0.97 H new ATOM 364 N GLN A 24 5.952 9.533 -8.509 1.00 0.70 N ATOM 365 CA GLN A 24 7.355 9.409 -8.022 1.00 0.66 C ATOM 366 C GLN A 24 7.884 8.010 -8.342 1.00 0.63 C ATOM 367 O GLN A 24 7.146 7.045 -8.348 1.00 0.62 O ATOM 368 CB GLN A 24 7.391 9.634 -6.508 1.00 0.65 C ATOM 369 CG GLN A 24 8.463 10.672 -6.170 1.00 1.23 C ATOM 370 CD GLN A 24 8.612 10.778 -4.652 1.00 1.79 C ATOM 371 OE1 GLN A 24 8.243 9.874 -3.929 1.00 2.27 O ATOM 372 NE2 GLN A 24 9.140 11.854 -4.133 1.00 2.41 N ATOM 0 H GLN A 24 5.238 9.197 -7.863 1.00 0.70 H new ATOM 0 HA GLN A 24 7.978 10.155 -8.515 1.00 0.66 H new ATOM 0 HB2 GLN A 24 6.417 9.975 -6.157 1.00 0.65 H new ATOM 0 HB3 GLN A 24 7.604 8.696 -5.995 1.00 0.65 H new ATOM 0 HG2 GLN A 24 9.414 10.388 -6.620 1.00 1.23 H new ATOM 0 HG3 GLN A 24 8.190 11.641 -6.588 1.00 1.23 H new ATOM 0 HE21 GLN A 24 9.450 12.613 -4.739 1.00 2.41 H new ATOM 0 HE22 GLN A 24 9.242 11.935 -3.121 1.00 2.41 H new ATOM 381 N LYS A 25 9.157 7.891 -8.608 1.00 0.63 N ATOM 382 CA LYS A 25 9.729 6.553 -8.928 1.00 0.61 C ATOM 383 C LYS A 25 11.165 6.472 -8.403 1.00 0.59 C ATOM 384 O LYS A 25 11.938 7.401 -8.536 1.00 1.10 O ATOM 385 CB LYS A 25 9.730 6.346 -10.444 1.00 0.62 C ATOM 386 CG LYS A 25 8.313 6.013 -10.916 1.00 0.45 C ATOM 387 CD LYS A 25 8.311 5.825 -12.435 1.00 0.28 C ATOM 388 CE LYS A 25 8.052 7.171 -13.115 1.00 1.40 C ATOM 389 NZ LYS A 25 6.583 7.404 -13.214 1.00 1.76 N ATOM 0 H LYS A 25 9.824 8.662 -8.617 1.00 0.63 H new ATOM 0 HA LYS A 25 9.124 5.779 -8.456 1.00 0.61 H new ATOM 0 HB2 LYS A 25 10.089 7.246 -10.944 1.00 0.62 H new ATOM 0 HB3 LYS A 25 10.412 5.539 -10.711 1.00 0.62 H new ATOM 0 HG2 LYS A 25 7.959 5.106 -10.426 1.00 0.45 H new ATOM 0 HG3 LYS A 25 7.628 6.814 -10.637 1.00 0.45 H new ATOM 0 HD2 LYS A 25 9.267 5.418 -12.763 1.00 0.28 H new ATOM 0 HD3 LYS A 25 7.543 5.107 -12.722 1.00 0.28 H new ATOM 0 HE2 LYS A 25 8.521 7.974 -12.546 1.00 1.40 H new ATOM 0 HE3 LYS A 25 8.500 7.181 -14.109 1.00 1.40 H new ATOM 0 HZ1 LYS A 25 6.406 8.294 -13.721 1.00 1.76 H new ATOM 0 HZ2 LYS A 25 6.141 6.617 -13.731 1.00 1.76 H new ATOM 0 HZ3 LYS A 25 6.176 7.463 -12.259 1.00 1.76 H new ATOM 403 N THR A 26 11.527 5.367 -7.810 1.00 0.03 N ATOM 404 CA THR A 26 12.911 5.222 -7.277 1.00 0.09 C ATOM 405 C THR A 26 13.361 3.767 -7.433 1.00 0.13 C ATOM 406 O THR A 26 12.577 2.899 -7.761 1.00 0.32 O ATOM 407 CB THR A 26 12.932 5.608 -5.797 1.00 0.09 C ATOM 408 OG1 THR A 26 12.352 4.563 -5.028 1.00 0.12 O ATOM 409 CG2 THR A 26 12.134 6.897 -5.592 1.00 0.17 C ATOM 0 H THR A 26 10.923 4.557 -7.672 1.00 0.03 H new ATOM 0 HA THR A 26 13.586 5.875 -7.829 1.00 0.09 H new ATOM 0 HB THR A 26 13.962 5.766 -5.478 1.00 0.09 H new ATOM 0 HG1 THR A 26 12.073 4.914 -4.156 1.00 0.12 H new ATOM 0 HG21 THR A 26 12.150 7.171 -4.537 1.00 0.17 H new ATOM 0 HG22 THR A 26 12.579 7.698 -6.182 1.00 0.17 H new ATOM 0 HG23 THR A 26 11.103 6.742 -5.911 1.00 0.17 H new ATOM 417 N LEU A 27 14.616 3.492 -7.200 1.00 0.22 N ATOM 418 CA LEU A 27 15.104 2.092 -7.338 1.00 0.26 C ATOM 419 C LEU A 27 14.454 1.220 -6.262 1.00 0.18 C ATOM 420 O LEU A 27 14.496 0.006 -6.323 1.00 0.23 O ATOM 421 CB LEU A 27 16.629 2.059 -7.184 1.00 0.37 C ATOM 422 CG LEU A 27 17.017 2.396 -5.742 1.00 0.35 C ATOM 423 CD1 LEU A 27 17.398 1.111 -5.001 1.00 0.44 C ATOM 424 CD2 LEU A 27 18.214 3.349 -5.751 1.00 0.43 C ATOM 0 H LEU A 27 15.321 4.174 -6.921 1.00 0.22 H new ATOM 0 HA LEU A 27 14.838 1.709 -8.323 1.00 0.26 H new ATOM 0 HB2 LEU A 27 17.008 1.072 -7.450 1.00 0.37 H new ATOM 0 HB3 LEU A 27 17.087 2.772 -7.869 1.00 0.37 H new ATOM 0 HG LEU A 27 16.174 2.869 -5.239 1.00 0.35 H new ATOM 0 HD11 LEU A 27 17.674 1.351 -3.974 1.00 0.44 H new ATOM 0 HD12 LEU A 27 16.549 0.427 -4.998 1.00 0.44 H new ATOM 0 HD13 LEU A 27 18.242 0.638 -5.503 1.00 0.44 H new ATOM 0 HD21 LEU A 27 18.494 3.592 -4.726 1.00 0.43 H new ATOM 0 HD22 LEU A 27 19.055 2.872 -6.253 1.00 0.43 H new ATOM 0 HD23 LEU A 27 17.947 4.264 -6.280 1.00 0.43 H new ATOM 436 N CYS A 28 13.851 1.828 -5.278 1.00 0.11 N ATOM 437 CA CYS A 28 13.195 1.035 -4.200 1.00 0.08 C ATOM 438 C CYS A 28 12.090 0.171 -4.809 1.00 0.07 C ATOM 439 O CYS A 28 11.500 -0.659 -4.144 1.00 0.13 O ATOM 440 CB CYS A 28 12.589 1.986 -3.165 1.00 0.14 C ATOM 441 SG CYS A 28 13.120 1.493 -1.506 1.00 0.33 S ATOM 0 H CYS A 28 13.784 2.840 -5.174 1.00 0.11 H new ATOM 0 HA CYS A 28 13.933 0.395 -3.716 1.00 0.08 H new ATOM 0 HB2 CYS A 28 12.902 3.010 -3.369 1.00 0.14 H new ATOM 0 HB3 CYS A 28 11.501 1.966 -3.231 1.00 0.14 H new ATOM 446 N THR A 29 11.802 0.360 -6.068 1.00 0.06 N ATOM 447 CA THR A 29 10.735 -0.450 -6.719 1.00 0.13 C ATOM 448 C THR A 29 11.301 -1.814 -7.119 1.00 0.18 C ATOM 449 O THR A 29 10.606 -2.810 -7.118 1.00 0.37 O ATOM 450 CB THR A 29 10.231 0.279 -7.967 1.00 0.15 C ATOM 451 OG1 THR A 29 11.280 0.361 -8.921 1.00 0.24 O ATOM 452 CG2 THR A 29 9.772 1.688 -7.587 1.00 0.05 C ATOM 0 H THR A 29 12.260 1.041 -6.674 1.00 0.06 H new ATOM 0 HA THR A 29 9.909 -0.590 -6.021 1.00 0.13 H new ATOM 0 HB THR A 29 9.392 -0.270 -8.395 1.00 0.15 H new ATOM 0 HG1 THR A 29 12.144 0.340 -8.460 1.00 0.24 H new ATOM 0 HG21 THR A 29 9.413 2.206 -8.476 1.00 0.05 H new ATOM 0 HG22 THR A 29 8.967 1.623 -6.855 1.00 0.05 H new ATOM 0 HG23 THR A 29 10.608 2.240 -7.158 1.00 0.05 H new ATOM 460 N GLU A 30 12.559 -1.866 -7.463 1.00 0.10 N ATOM 461 CA GLU A 30 13.169 -3.165 -7.864 1.00 0.13 C ATOM 462 C GLU A 30 13.105 -4.144 -6.690 1.00 0.08 C ATOM 463 O GLU A 30 13.555 -5.268 -6.781 1.00 0.11 O ATOM 464 CB GLU A 30 14.630 -2.942 -8.264 1.00 0.17 C ATOM 465 CG GLU A 30 14.692 -2.435 -9.705 1.00 0.34 C ATOM 466 CD GLU A 30 13.821 -1.187 -9.847 1.00 2.11 C ATOM 467 OE1 GLU A 30 13.872 -0.348 -8.962 1.00 3.21 O ATOM 468 OE2 GLU A 30 13.116 -1.089 -10.839 1.00 2.93 O ATOM 0 H GLU A 30 13.190 -1.065 -7.484 1.00 0.10 H new ATOM 0 HA GLU A 30 12.620 -3.577 -8.710 1.00 0.13 H new ATOM 0 HB2 GLU A 30 15.096 -2.220 -7.593 1.00 0.17 H new ATOM 0 HB3 GLU A 30 15.190 -3.872 -8.170 1.00 0.17 H new ATOM 0 HG2 GLU A 30 15.722 -2.205 -9.976 1.00 0.34 H new ATOM 0 HG3 GLU A 30 14.348 -3.211 -10.389 1.00 0.34 H new ATOM 475 N LEU A 31 12.551 -3.724 -5.586 1.00 0.16 N ATOM 476 CA LEU A 31 12.460 -4.631 -4.406 1.00 0.15 C ATOM 477 C LEU A 31 11.240 -5.542 -4.558 1.00 0.16 C ATOM 478 O LEU A 31 10.171 -5.108 -4.939 1.00 0.38 O ATOM 479 CB LEU A 31 12.317 -3.796 -3.133 1.00 0.16 C ATOM 480 CG LEU A 31 13.428 -2.746 -3.084 1.00 0.14 C ATOM 481 CD1 LEU A 31 13.283 -1.906 -1.814 1.00 0.26 C ATOM 482 CD2 LEU A 31 14.791 -3.443 -3.079 1.00 0.15 C ATOM 0 H LEU A 31 12.158 -2.793 -5.450 1.00 0.16 H new ATOM 0 HA LEU A 31 13.362 -5.239 -4.343 1.00 0.15 H new ATOM 0 HB2 LEU A 31 11.342 -3.310 -3.112 1.00 0.16 H new ATOM 0 HB3 LEU A 31 12.371 -4.440 -2.255 1.00 0.16 H new ATOM 0 HG LEU A 31 13.353 -2.100 -3.958 1.00 0.14 H new ATOM 0 HD11 LEU A 31 14.075 -1.158 -1.780 1.00 0.26 H new ATOM 0 HD12 LEU A 31 12.313 -1.408 -1.816 1.00 0.26 H new ATOM 0 HD13 LEU A 31 13.357 -2.553 -0.940 1.00 0.26 H new ATOM 0 HD21 LEU A 31 15.582 -2.694 -3.044 1.00 0.15 H new ATOM 0 HD22 LEU A 31 14.865 -4.091 -2.205 1.00 0.15 H new ATOM 0 HD23 LEU A 31 14.897 -4.041 -3.984 1.00 0.15 H new ATOM 494 N THR A 32 11.391 -6.805 -4.262 1.00 0.10 N ATOM 495 CA THR A 32 10.241 -7.743 -4.390 1.00 0.14 C ATOM 496 C THR A 32 9.502 -7.828 -3.053 1.00 0.13 C ATOM 497 O THR A 32 10.051 -8.248 -2.055 1.00 0.15 O ATOM 498 CB THR A 32 10.755 -9.133 -4.777 1.00 0.19 C ATOM 499 OG1 THR A 32 11.922 -9.429 -4.023 1.00 0.32 O ATOM 500 CG2 THR A 32 11.089 -9.159 -6.269 1.00 0.26 C ATOM 0 H THR A 32 12.261 -7.227 -3.937 1.00 0.10 H new ATOM 0 HA THR A 32 9.561 -7.380 -5.160 1.00 0.14 H new ATOM 0 HB THR A 32 9.987 -9.877 -4.567 1.00 0.19 H new ATOM 0 HG1 THR A 32 11.815 -9.093 -3.109 1.00 0.32 H new ATOM 0 HG21 THR A 32 11.455 -10.149 -6.543 1.00 0.26 H new ATOM 0 HG22 THR A 32 10.193 -8.931 -6.846 1.00 0.26 H new ATOM 0 HG23 THR A 32 11.858 -8.416 -6.483 1.00 0.26 H new ATOM 508 N VAL A 33 8.259 -7.431 -3.026 1.00 0.12 N ATOM 509 CA VAL A 33 7.484 -7.488 -1.755 1.00 0.12 C ATOM 510 C VAL A 33 6.725 -8.814 -1.678 1.00 0.14 C ATOM 511 O VAL A 33 6.873 -9.674 -2.525 1.00 0.31 O ATOM 512 CB VAL A 33 6.488 -6.328 -1.710 1.00 0.10 C ATOM 513 CG1 VAL A 33 7.227 -5.011 -1.953 1.00 0.23 C ATOM 514 CG2 VAL A 33 5.430 -6.525 -2.797 1.00 0.19 C ATOM 0 H VAL A 33 7.747 -7.069 -3.830 1.00 0.12 H new ATOM 0 HA VAL A 33 8.169 -7.411 -0.910 1.00 0.12 H new ATOM 0 HB VAL A 33 6.007 -6.300 -0.732 1.00 0.10 H new ATOM 0 HG11 VAL A 33 6.517 -4.184 -1.921 1.00 0.23 H new ATOM 0 HG12 VAL A 33 7.983 -4.870 -1.181 1.00 0.23 H new ATOM 0 HG13 VAL A 33 7.708 -5.039 -2.931 1.00 0.23 H new ATOM 0 HG21 VAL A 33 4.719 -5.699 -2.767 1.00 0.19 H new ATOM 0 HG22 VAL A 33 5.913 -6.553 -3.774 1.00 0.19 H new ATOM 0 HG23 VAL A 33 4.903 -7.464 -2.626 1.00 0.19 H new ATOM 524 N THR A 34 5.913 -8.987 -0.672 1.00 0.10 N ATOM 525 CA THR A 34 5.145 -10.259 -0.543 1.00 0.12 C ATOM 526 C THR A 34 3.791 -10.109 -1.238 1.00 0.05 C ATOM 527 O THR A 34 3.120 -9.104 -1.102 1.00 0.25 O ATOM 528 CB THR A 34 4.927 -10.575 0.938 1.00 0.19 C ATOM 529 OG1 THR A 34 6.187 -10.724 1.579 1.00 0.34 O ATOM 530 CG2 THR A 34 4.127 -11.871 1.073 1.00 0.13 C ATOM 0 H THR A 34 5.748 -8.303 0.067 1.00 0.10 H new ATOM 0 HA THR A 34 5.704 -11.071 -1.009 1.00 0.12 H new ATOM 0 HB THR A 34 4.375 -9.760 1.406 1.00 0.19 H new ATOM 0 HG1 THR A 34 6.049 -10.925 2.528 1.00 0.34 H new ATOM 0 HG21 THR A 34 3.972 -12.095 2.128 1.00 0.13 H new ATOM 0 HG22 THR A 34 3.161 -11.755 0.581 1.00 0.13 H new ATOM 0 HG23 THR A 34 4.676 -12.688 0.605 1.00 0.13 H new ATOM 538 N ASP A 35 3.382 -11.100 -1.982 1.00 0.23 N ATOM 539 CA ASP A 35 2.071 -11.013 -2.685 1.00 0.22 C ATOM 540 C ASP A 35 0.953 -11.446 -1.734 1.00 0.20 C ATOM 541 O ASP A 35 0.995 -12.516 -1.159 1.00 0.49 O ATOM 542 CB ASP A 35 2.086 -11.932 -3.908 1.00 0.28 C ATOM 543 CG ASP A 35 0.872 -11.631 -4.788 1.00 0.32 C ATOM 544 OD1 ASP A 35 -0.208 -11.478 -4.241 1.00 1.15 O ATOM 545 OD2 ASP A 35 1.042 -11.558 -5.993 1.00 0.95 O ATOM 0 H ASP A 35 3.899 -11.966 -2.133 1.00 0.23 H new ATOM 0 HA ASP A 35 1.898 -9.986 -3.005 1.00 0.22 H new ATOM 0 HB2 ASP A 35 3.005 -11.785 -4.475 1.00 0.28 H new ATOM 0 HB3 ASP A 35 2.070 -12.975 -3.592 1.00 0.28 H new ATOM 550 N ILE A 36 -0.047 -10.625 -1.565 1.00 0.42 N ATOM 551 CA ILE A 36 -1.167 -10.990 -0.652 1.00 0.46 C ATOM 552 C ILE A 36 -2.279 -11.668 -1.455 1.00 0.40 C ATOM 553 O ILE A 36 -2.998 -12.508 -0.951 1.00 0.47 O ATOM 554 CB ILE A 36 -1.714 -9.727 0.014 1.00 0.41 C ATOM 555 CG1 ILE A 36 -2.409 -8.859 -1.037 1.00 0.30 C ATOM 556 CG2 ILE A 36 -0.563 -8.941 0.642 1.00 0.63 C ATOM 557 CD1 ILE A 36 -2.628 -7.453 -0.475 1.00 0.37 C ATOM 0 H ILE A 36 -0.137 -9.717 -2.020 1.00 0.42 H new ATOM 0 HA ILE A 36 -0.804 -11.675 0.114 1.00 0.46 H new ATOM 0 HB ILE A 36 -2.429 -10.005 0.789 1.00 0.41 H new ATOM 0 HG12 ILE A 36 -1.803 -8.810 -1.942 1.00 0.30 H new ATOM 0 HG13 ILE A 36 -3.364 -9.303 -1.317 1.00 0.30 H new ATOM 0 HG21 ILE A 36 -0.953 -8.041 1.117 1.00 0.63 H new ATOM 0 HG22 ILE A 36 -0.066 -9.559 1.390 1.00 0.63 H new ATOM 0 HG23 ILE A 36 0.152 -8.662 -0.132 1.00 0.63 H new ATOM 0 HD11 ILE A 36 -3.123 -6.835 -1.224 1.00 0.37 H new ATOM 0 HD12 ILE A 36 -3.251 -7.511 0.417 1.00 0.37 H new ATOM 0 HD13 ILE A 36 -1.666 -7.010 -0.217 1.00 0.37 H new ATOM 569 N PHE A 37 -2.426 -11.309 -2.702 1.00 0.33 N ATOM 570 CA PHE A 37 -3.492 -11.932 -3.534 1.00 0.40 C ATOM 571 C PHE A 37 -3.070 -13.350 -3.926 1.00 0.63 C ATOM 572 O PHE A 37 -3.886 -14.171 -4.296 1.00 0.91 O ATOM 573 CB PHE A 37 -3.705 -11.096 -4.799 1.00 0.42 C ATOM 574 CG PHE A 37 -3.980 -9.663 -4.413 1.00 0.28 C ATOM 575 CD1 PHE A 37 -5.214 -9.313 -3.854 1.00 0.36 C ATOM 576 CD2 PHE A 37 -3.000 -8.684 -4.617 1.00 0.22 C ATOM 577 CE1 PHE A 37 -5.469 -7.983 -3.496 1.00 0.50 C ATOM 578 CE2 PHE A 37 -3.255 -7.354 -4.260 1.00 0.37 C ATOM 579 CZ PHE A 37 -4.490 -7.004 -3.699 1.00 0.54 C ATOM 0 H PHE A 37 -1.854 -10.612 -3.179 1.00 0.33 H new ATOM 0 HA PHE A 37 -4.420 -11.973 -2.964 1.00 0.40 H new ATOM 0 HB2 PHE A 37 -2.822 -11.149 -5.436 1.00 0.42 H new ATOM 0 HB3 PHE A 37 -4.539 -11.495 -5.376 1.00 0.42 H new ATOM 0 HD1 PHE A 37 -5.970 -10.068 -3.699 1.00 0.36 H new ATOM 0 HD2 PHE A 37 -2.048 -8.954 -5.049 1.00 0.22 H new ATOM 0 HE1 PHE A 37 -6.421 -7.713 -3.063 1.00 0.50 H new ATOM 0 HE2 PHE A 37 -2.500 -6.598 -4.417 1.00 0.37 H new ATOM 0 HZ PHE A 37 -4.687 -5.978 -3.423 1.00 0.54 H new ATOM 589 N ALA A 38 -1.801 -13.644 -3.847 1.00 0.55 N ATOM 590 CA ALA A 38 -1.329 -15.010 -4.214 1.00 0.77 C ATOM 591 C ALA A 38 -1.726 -15.999 -3.117 1.00 0.96 C ATOM 592 O ALA A 38 -1.174 -17.075 -3.009 1.00 1.30 O ATOM 593 CB ALA A 38 0.193 -15.000 -4.365 1.00 0.76 C ATOM 0 H ALA A 38 -1.071 -12.999 -3.545 1.00 0.55 H new ATOM 0 HA ALA A 38 -1.786 -15.311 -5.157 1.00 0.77 H new ATOM 0 HB1 ALA A 38 0.539 -15.998 -4.633 1.00 0.76 H new ATOM 0 HB2 ALA A 38 0.476 -14.296 -5.147 1.00 0.76 H new ATOM 0 HB3 ALA A 38 0.650 -14.699 -3.422 1.00 0.76 H new ATOM 599 N ALA A 39 -2.681 -15.643 -2.300 1.00 0.76 N ATOM 600 CA ALA A 39 -3.111 -16.563 -1.211 1.00 0.96 C ATOM 601 C ALA A 39 -4.484 -16.131 -0.692 1.00 0.79 C ATOM 602 O ALA A 39 -4.590 -15.349 0.232 1.00 1.26 O ATOM 603 CB ALA A 39 -2.094 -16.513 -0.069 1.00 1.13 C ATOM 0 H ALA A 39 -3.181 -14.755 -2.341 1.00 0.76 H new ATOM 0 HA ALA A 39 -3.172 -17.580 -1.597 1.00 0.96 H new ATOM 0 HB1 ALA A 39 -2.409 -17.186 0.728 1.00 1.13 H new ATOM 0 HB2 ALA A 39 -1.116 -16.821 -0.439 1.00 1.13 H new ATOM 0 HB3 ALA A 39 -2.032 -15.496 0.319 1.00 1.13 H new ATOM 609 N SER A 40 -5.536 -16.635 -1.276 1.00 1.16 N ATOM 610 CA SER A 40 -6.900 -16.253 -0.815 1.00 1.12 C ATOM 611 C SER A 40 -7.874 -17.397 -1.102 1.00 1.18 C ATOM 612 O SER A 40 -8.355 -17.553 -2.208 1.00 1.15 O ATOM 613 CB SER A 40 -7.356 -14.996 -1.557 1.00 1.09 C ATOM 614 OG SER A 40 -8.721 -14.742 -1.255 1.00 1.54 O ATOM 0 H SER A 40 -5.510 -17.295 -2.053 1.00 1.16 H new ATOM 0 HA SER A 40 -6.879 -16.054 0.256 1.00 1.12 H new ATOM 0 HB2 SER A 40 -6.742 -14.144 -1.264 1.00 1.09 H new ATOM 0 HB3 SER A 40 -7.228 -15.127 -2.631 1.00 1.09 H new ATOM 0 HG SER A 40 -8.817 -14.571 -0.295 1.00 1.54 H new ATOM 620 N LYS A 41 -8.170 -18.199 -0.116 1.00 1.29 N ATOM 621 CA LYS A 41 -9.113 -19.331 -0.334 1.00 1.37 C ATOM 622 C LYS A 41 -10.549 -18.848 -0.117 1.00 1.04 C ATOM 623 O LYS A 41 -11.445 -19.174 -0.870 1.00 1.82 O ATOM 624 CB LYS A 41 -8.799 -20.455 0.658 1.00 1.58 C ATOM 625 CG LYS A 41 -7.783 -21.428 0.042 1.00 2.03 C ATOM 626 CD LYS A 41 -6.469 -20.698 -0.270 1.00 1.06 C ATOM 627 CE LYS A 41 -5.861 -20.145 1.022 1.00 2.49 C ATOM 628 NZ LYS A 41 -4.378 -20.084 0.886 1.00 3.04 N ATOM 0 H LYS A 41 -7.799 -18.119 0.831 1.00 1.29 H new ATOM 0 HA LYS A 41 -9.004 -19.703 -1.353 1.00 1.37 H new ATOM 0 HB2 LYS A 41 -8.400 -20.036 1.582 1.00 1.58 H new ATOM 0 HB3 LYS A 41 -9.714 -20.988 0.919 1.00 1.58 H new ATOM 0 HG2 LYS A 41 -7.595 -22.252 0.730 1.00 2.03 H new ATOM 0 HG3 LYS A 41 -8.192 -21.862 -0.871 1.00 2.03 H new ATOM 0 HD2 LYS A 41 -5.768 -21.382 -0.749 1.00 1.06 H new ATOM 0 HD3 LYS A 41 -6.652 -19.885 -0.973 1.00 1.06 H new ATOM 0 HE2 LYS A 41 -6.259 -19.152 1.228 1.00 2.49 H new ATOM 0 HE3 LYS A 41 -6.134 -20.779 1.866 1.00 2.49 H new ATOM 0 HZ1 LYS A 41 -3.935 -20.378 1.780 1.00 3.04 H new ATOM 0 HZ2 LYS A 41 -4.073 -20.721 0.122 1.00 3.04 H new ATOM 0 HZ3 LYS A 41 -4.090 -19.110 0.661 1.00 3.04 H new ATOM 642 N ASP A 42 -10.775 -18.073 0.908 1.00 0.40 N ATOM 643 CA ASP A 42 -12.152 -17.569 1.173 1.00 1.04 C ATOM 644 C ASP A 42 -12.076 -16.296 2.018 1.00 1.01 C ATOM 645 O ASP A 42 -12.917 -16.047 2.859 1.00 1.13 O ATOM 646 CB ASP A 42 -12.948 -18.636 1.926 1.00 1.70 C ATOM 647 CG ASP A 42 -12.332 -18.851 3.310 1.00 1.02 C ATOM 648 OD1 ASP A 42 -11.124 -19.012 3.379 1.00 0.77 O ATOM 649 OD2 ASP A 42 -13.076 -18.854 4.276 1.00 1.82 O ATOM 0 H ASP A 42 -10.065 -17.767 1.574 1.00 0.40 H new ATOM 0 HA ASP A 42 -12.647 -17.347 0.227 1.00 1.04 H new ATOM 0 HB2 ASP A 42 -13.989 -18.327 2.024 1.00 1.70 H new ATOM 0 HB3 ASP A 42 -12.944 -19.571 1.365 1.00 1.70 H new ATOM 654 N THR A 43 -11.074 -15.489 1.803 1.00 0.87 N ATOM 655 CA THR A 43 -10.945 -14.234 2.595 1.00 0.86 C ATOM 656 C THR A 43 -11.764 -13.125 1.931 1.00 0.82 C ATOM 657 O THR A 43 -11.778 -12.987 0.724 1.00 0.77 O ATOM 658 CB THR A 43 -9.473 -13.816 2.652 1.00 0.72 C ATOM 659 OG1 THR A 43 -8.818 -14.233 1.463 1.00 0.45 O ATOM 660 CG2 THR A 43 -8.803 -14.468 3.862 1.00 1.09 C ATOM 0 H THR A 43 -10.339 -15.645 1.113 1.00 0.87 H new ATOM 0 HA THR A 43 -11.315 -14.403 3.606 1.00 0.86 H new ATOM 0 HB THR A 43 -9.405 -12.732 2.743 1.00 0.72 H new ATOM 0 HG1 THR A 43 -7.876 -13.965 1.497 1.00 0.45 H new ATOM 0 HG21 THR A 43 -7.755 -14.170 3.902 1.00 1.09 H new ATOM 0 HG22 THR A 43 -9.307 -14.147 4.774 1.00 1.09 H new ATOM 0 HG23 THR A 43 -8.869 -15.552 3.774 1.00 1.09 H new ATOM 668 N THR A 44 -12.447 -12.331 2.710 1.00 0.92 N ATOM 669 CA THR A 44 -13.264 -11.232 2.124 1.00 0.90 C ATOM 670 C THR A 44 -12.364 -10.030 1.830 1.00 0.80 C ATOM 671 O THR A 44 -11.235 -10.176 1.407 1.00 1.25 O ATOM 672 CB THR A 44 -14.356 -10.822 3.115 1.00 1.01 C ATOM 673 OG1 THR A 44 -13.755 -10.245 4.266 1.00 0.99 O ATOM 674 CG2 THR A 44 -15.165 -12.054 3.523 1.00 0.84 C ATOM 0 H THR A 44 -12.474 -12.396 3.728 1.00 0.92 H new ATOM 0 HA THR A 44 -13.726 -11.576 1.198 1.00 0.90 H new ATOM 0 HB THR A 44 -15.019 -10.094 2.647 1.00 1.01 H new ATOM 0 HG1 THR A 44 -14.453 -9.980 4.901 1.00 0.99 H new ATOM 0 HG21 THR A 44 -15.942 -11.761 4.229 1.00 0.84 H new ATOM 0 HG22 THR A 44 -15.625 -12.496 2.639 1.00 0.84 H new ATOM 0 HG23 THR A 44 -14.505 -12.784 3.992 1.00 0.84 H new ATOM 682 N GLU A 45 -12.856 -8.841 2.050 1.00 0.44 N ATOM 683 CA GLU A 45 -12.030 -7.630 1.783 1.00 0.28 C ATOM 684 C GLU A 45 -11.300 -7.218 3.064 1.00 0.20 C ATOM 685 O GLU A 45 -10.283 -6.554 3.023 1.00 0.29 O ATOM 686 CB GLU A 45 -12.934 -6.486 1.321 1.00 0.35 C ATOM 687 CG GLU A 45 -13.987 -7.027 0.351 1.00 0.59 C ATOM 688 CD GLU A 45 -14.792 -5.864 -0.230 1.00 1.61 C ATOM 689 OE1 GLU A 45 -14.409 -4.730 0.004 1.00 2.57 O ATOM 690 OE2 GLU A 45 -15.778 -6.127 -0.899 1.00 1.89 O ATOM 0 H GLU A 45 -13.795 -8.656 2.403 1.00 0.44 H new ATOM 0 HA GLU A 45 -11.301 -7.853 1.004 1.00 0.28 H new ATOM 0 HB2 GLU A 45 -13.419 -6.022 2.180 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -12.340 -5.712 0.835 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -13.505 -7.586 -0.451 1.00 0.59 H new ATOM 0 HG3 GLU A 45 -14.651 -7.720 0.868 1.00 0.59 H new ATOM 697 N LYS A 46 -11.811 -7.606 4.200 1.00 0.08 N ATOM 698 CA LYS A 46 -11.146 -7.235 5.481 1.00 0.10 C ATOM 699 C LYS A 46 -9.751 -7.862 5.531 1.00 0.16 C ATOM 700 O LYS A 46 -8.749 -7.175 5.494 1.00 0.26 O ATOM 701 CB LYS A 46 -11.979 -7.749 6.656 1.00 0.16 C ATOM 702 CG LYS A 46 -13.230 -6.883 6.813 1.00 0.11 C ATOM 703 CD LYS A 46 -12.939 -5.737 7.784 1.00 0.43 C ATOM 704 CE LYS A 46 -14.177 -4.847 7.912 1.00 0.80 C ATOM 705 NZ LYS A 46 -13.799 -3.561 8.563 1.00 1.87 N ATOM 0 H LYS A 46 -12.660 -8.164 4.297 1.00 0.08 H new ATOM 0 HA LYS A 46 -11.060 -6.150 5.545 1.00 0.10 H new ATOM 0 HB2 LYS A 46 -12.262 -8.788 6.488 1.00 0.16 H new ATOM 0 HB3 LYS A 46 -11.389 -7.724 7.572 1.00 0.16 H new ATOM 0 HG2 LYS A 46 -13.534 -6.485 5.845 1.00 0.11 H new ATOM 0 HG3 LYS A 46 -14.059 -7.486 7.184 1.00 0.11 H new ATOM 0 HD2 LYS A 46 -12.662 -6.135 8.760 1.00 0.43 H new ATOM 0 HD3 LYS A 46 -12.092 -5.151 7.427 1.00 0.43 H new ATOM 0 HE2 LYS A 46 -14.605 -4.657 6.928 1.00 0.80 H new ATOM 0 HE3 LYS A 46 -14.943 -5.353 8.500 1.00 0.80 H new ATOM 0 HZ1 LYS A 46 -14.536 -3.286 9.243 1.00 1.87 H new ATOM 0 HZ2 LYS A 46 -12.894 -3.677 9.062 1.00 1.87 H new ATOM 0 HZ3 LYS A 46 -13.703 -2.821 7.839 1.00 1.87 H new ATOM 719 N GLU A 47 -9.678 -9.162 5.617 1.00 0.14 N ATOM 720 CA GLU A 47 -8.347 -9.832 5.670 1.00 0.18 C ATOM 721 C GLU A 47 -7.478 -9.332 4.514 1.00 0.11 C ATOM 722 O GLU A 47 -6.271 -9.478 4.524 1.00 0.20 O ATOM 723 CB GLU A 47 -8.533 -11.346 5.551 1.00 0.24 C ATOM 724 CG GLU A 47 -9.055 -11.902 6.877 1.00 0.30 C ATOM 725 CD GLU A 47 -10.426 -11.296 7.182 1.00 1.76 C ATOM 726 OE1 GLU A 47 -11.275 -11.334 6.306 1.00 2.86 O ATOM 727 OE2 GLU A 47 -10.604 -10.806 8.285 1.00 2.22 O ATOM 0 H GLU A 47 -10.482 -9.789 5.653 1.00 0.14 H new ATOM 0 HA GLU A 47 -7.860 -9.599 6.617 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -9.233 -11.575 4.748 1.00 0.24 H new ATOM 0 HB3 GLU A 47 -7.586 -11.820 5.293 1.00 0.24 H new ATOM 0 HG2 GLU A 47 -9.130 -12.988 6.823 1.00 0.30 H new ATOM 0 HG3 GLU A 47 -8.356 -11.670 7.681 1.00 0.30 H new ATOM 734 N THR A 48 -8.080 -8.743 3.518 1.00 0.12 N ATOM 735 CA THR A 48 -7.287 -8.235 2.363 1.00 0.18 C ATOM 736 C THR A 48 -6.574 -6.943 2.764 1.00 0.21 C ATOM 737 O THR A 48 -5.366 -6.837 2.682 1.00 0.26 O ATOM 738 CB THR A 48 -8.222 -7.957 1.184 1.00 0.26 C ATOM 739 OG1 THR A 48 -9.201 -8.984 1.107 1.00 0.33 O ATOM 740 CG2 THR A 48 -7.414 -7.922 -0.114 1.00 0.23 C ATOM 0 H THR A 48 -9.087 -8.591 3.454 1.00 0.12 H new ATOM 0 HA THR A 48 -6.549 -8.983 2.072 1.00 0.18 H new ATOM 0 HB THR A 48 -8.714 -6.995 1.329 1.00 0.26 H new ATOM 0 HG1 THR A 48 -9.759 -8.965 1.912 1.00 0.33 H new ATOM 0 HG21 THR A 48 -8.081 -7.724 -0.953 1.00 0.23 H new ATOM 0 HG22 THR A 48 -6.663 -7.134 -0.054 1.00 0.23 H new ATOM 0 HG23 THR A 48 -6.921 -8.883 -0.262 1.00 0.23 H new ATOM 748 N PHE A 49 -7.311 -5.957 3.199 1.00 0.21 N ATOM 749 CA PHE A 49 -6.674 -4.672 3.604 1.00 0.25 C ATOM 750 C PHE A 49 -5.618 -4.944 4.677 1.00 0.20 C ATOM 751 O PHE A 49 -4.676 -4.192 4.838 1.00 0.34 O ATOM 752 CB PHE A 49 -7.740 -3.729 4.166 1.00 0.31 C ATOM 753 CG PHE A 49 -8.757 -3.420 3.093 1.00 0.36 C ATOM 754 CD1 PHE A 49 -8.380 -2.677 1.966 1.00 0.47 C ATOM 755 CD2 PHE A 49 -10.074 -3.877 3.221 1.00 0.32 C ATOM 756 CE1 PHE A 49 -9.321 -2.390 0.971 1.00 0.55 C ATOM 757 CE2 PHE A 49 -11.015 -3.589 2.224 1.00 0.40 C ATOM 758 CZ PHE A 49 -10.639 -2.846 1.099 1.00 0.51 C ATOM 0 H PHE A 49 -8.326 -5.986 3.291 1.00 0.21 H new ATOM 0 HA PHE A 49 -6.202 -4.211 2.737 1.00 0.25 H new ATOM 0 HB2 PHE A 49 -8.230 -4.188 5.025 1.00 0.31 H new ATOM 0 HB3 PHE A 49 -7.276 -2.808 4.518 1.00 0.31 H new ATOM 0 HD1 PHE A 49 -7.364 -2.326 1.866 1.00 0.47 H new ATOM 0 HD2 PHE A 49 -10.365 -4.451 4.088 1.00 0.32 H new ATOM 0 HE1 PHE A 49 -9.031 -1.816 0.103 1.00 0.55 H new ATOM 0 HE2 PHE A 49 -12.031 -3.941 2.324 1.00 0.40 H new ATOM 0 HZ PHE A 49 -11.365 -2.625 0.330 1.00 0.51 H new ATOM 768 N CYS A 50 -5.764 -6.012 5.412 1.00 0.09 N ATOM 769 CA CYS A 50 -4.768 -6.328 6.474 1.00 0.16 C ATOM 770 C CYS A 50 -3.464 -6.798 5.826 1.00 0.10 C ATOM 771 O CYS A 50 -2.443 -6.147 5.918 1.00 0.09 O ATOM 772 CB CYS A 50 -5.316 -7.435 7.376 1.00 0.29 C ATOM 773 SG CYS A 50 -3.967 -8.133 8.361 1.00 0.20 S ATOM 0 H CYS A 50 -6.530 -6.679 5.323 1.00 0.09 H new ATOM 0 HA CYS A 50 -4.578 -5.435 7.070 1.00 0.16 H new ATOM 0 HB2 CYS A 50 -6.090 -7.035 8.031 1.00 0.29 H new ATOM 0 HB3 CYS A 50 -5.781 -8.214 6.772 1.00 0.29 H new ATOM 778 N ARG A 51 -3.490 -7.927 5.171 1.00 0.13 N ATOM 779 CA ARG A 51 -2.252 -8.440 4.519 1.00 0.18 C ATOM 780 C ARG A 51 -1.586 -7.312 3.729 1.00 0.17 C ATOM 781 O ARG A 51 -0.378 -7.181 3.713 1.00 0.24 O ATOM 782 CB ARG A 51 -2.613 -9.584 3.568 1.00 0.24 C ATOM 783 CG ARG A 51 -3.159 -10.765 4.372 1.00 0.26 C ATOM 784 CD ARG A 51 -3.907 -11.717 3.438 1.00 0.55 C ATOM 785 NE ARG A 51 -3.736 -13.118 3.915 1.00 0.67 N ATOM 786 CZ ARG A 51 -4.515 -14.061 3.461 1.00 1.01 C ATOM 787 NH1 ARG A 51 -5.442 -13.778 2.587 1.00 1.27 N ATOM 788 NH2 ARG A 51 -4.367 -15.288 3.879 1.00 1.71 N ATOM 0 H ARG A 51 -4.315 -8.516 5.059 1.00 0.13 H new ATOM 0 HA ARG A 51 -1.564 -8.804 5.282 1.00 0.18 H new ATOM 0 HB2 ARG A 51 -3.356 -9.249 2.845 1.00 0.24 H new ATOM 0 HB3 ARG A 51 -1.734 -9.892 3.002 1.00 0.24 H new ATOM 0 HG2 ARG A 51 -2.342 -11.291 4.866 1.00 0.26 H new ATOM 0 HG3 ARG A 51 -3.827 -10.407 5.155 1.00 0.26 H new ATOM 0 HD2 ARG A 51 -4.965 -11.458 3.409 1.00 0.55 H new ATOM 0 HD3 ARG A 51 -3.527 -11.619 2.421 1.00 0.55 H new ATOM 0 HE ARG A 51 -3.010 -13.340 4.596 1.00 0.67 H new ATOM 0 HH11 ARG A 51 -5.558 -12.819 2.259 1.00 1.27 H new ATOM 0 HH12 ARG A 51 -6.051 -14.516 2.232 1.00 1.27 H new ATOM 0 HH21 ARG A 51 -3.642 -15.510 4.561 1.00 1.71 H new ATOM 0 HH22 ARG A 51 -4.976 -16.025 3.524 1.00 1.71 H new ATOM 802 N ALA A 52 -2.363 -6.495 3.072 1.00 0.15 N ATOM 803 CA ALA A 52 -1.773 -5.377 2.284 1.00 0.24 C ATOM 804 C ALA A 52 -0.946 -4.482 3.209 1.00 0.18 C ATOM 805 O ALA A 52 0.224 -4.246 2.978 1.00 0.10 O ATOM 806 CB ALA A 52 -2.894 -4.553 1.647 1.00 0.31 C ATOM 0 H ALA A 52 -3.381 -6.554 3.047 1.00 0.15 H new ATOM 0 HA ALA A 52 -1.132 -5.784 1.502 1.00 0.24 H new ATOM 0 HB1 ALA A 52 -2.462 -3.735 1.071 1.00 0.31 H new ATOM 0 HB2 ALA A 52 -3.484 -5.190 0.988 1.00 0.31 H new ATOM 0 HB3 ALA A 52 -3.536 -4.147 2.429 1.00 0.31 H new ATOM 812 N ALA A 53 -1.543 -3.980 4.255 1.00 0.24 N ATOM 813 CA ALA A 53 -0.790 -3.101 5.193 1.00 0.19 C ATOM 814 C ALA A 53 0.394 -3.872 5.778 1.00 0.16 C ATOM 815 O ALA A 53 1.490 -3.361 5.883 1.00 0.13 O ATOM 816 CB ALA A 53 -1.717 -2.650 6.325 1.00 0.20 C ATOM 0 H ALA A 53 -2.520 -4.141 4.500 1.00 0.24 H new ATOM 0 HA ALA A 53 -0.422 -2.227 4.655 1.00 0.19 H new ATOM 0 HB1 ALA A 53 -1.167 -2.007 7.012 1.00 0.20 H new ATOM 0 HB2 ALA A 53 -2.559 -2.098 5.908 1.00 0.20 H new ATOM 0 HB3 ALA A 53 -2.086 -3.523 6.863 1.00 0.20 H new ATOM 822 N THR A 54 0.181 -5.102 6.162 1.00 0.18 N ATOM 823 CA THR A 54 1.297 -5.904 6.740 1.00 0.18 C ATOM 824 C THR A 54 2.521 -5.802 5.829 1.00 0.17 C ATOM 825 O THR A 54 3.630 -5.601 6.283 1.00 0.15 O ATOM 826 CB THR A 54 0.866 -7.368 6.856 1.00 0.22 C ATOM 827 OG1 THR A 54 -0.390 -7.439 7.515 1.00 0.26 O ATOM 828 CG2 THR A 54 1.910 -8.148 7.655 1.00 0.23 C ATOM 0 H THR A 54 -0.715 -5.585 6.101 1.00 0.18 H new ATOM 0 HA THR A 54 1.547 -5.521 7.729 1.00 0.18 H new ATOM 0 HB THR A 54 0.778 -7.801 5.860 1.00 0.22 H new ATOM 0 HG1 THR A 54 -1.097 -7.145 6.904 1.00 0.26 H new ATOM 0 HG21 THR A 54 1.602 -9.190 7.737 1.00 0.23 H new ATOM 0 HG22 THR A 54 2.873 -8.093 7.147 1.00 0.23 H new ATOM 0 HG23 THR A 54 2.001 -7.717 8.652 1.00 0.23 H new ATOM 836 N VAL A 55 2.330 -5.939 4.545 1.00 0.18 N ATOM 837 CA VAL A 55 3.482 -5.849 3.606 1.00 0.17 C ATOM 838 C VAL A 55 4.074 -4.440 3.660 1.00 0.14 C ATOM 839 O VAL A 55 5.228 -4.252 3.994 1.00 0.11 O ATOM 840 CB VAL A 55 3.005 -6.147 2.184 1.00 0.21 C ATOM 841 CG1 VAL A 55 4.192 -6.079 1.221 1.00 0.18 C ATOM 842 CG2 VAL A 55 2.391 -7.548 2.136 1.00 0.26 C ATOM 0 H VAL A 55 1.425 -6.109 4.106 1.00 0.18 H new ATOM 0 HA VAL A 55 4.243 -6.575 3.894 1.00 0.17 H new ATOM 0 HB VAL A 55 2.257 -5.410 1.891 1.00 0.21 H new ATOM 0 HG11 VAL A 55 3.851 -6.292 0.208 1.00 0.18 H new ATOM 0 HG12 VAL A 55 4.631 -5.082 1.254 1.00 0.18 H new ATOM 0 HG13 VAL A 55 4.941 -6.815 1.514 1.00 0.18 H new ATOM 0 HG21 VAL A 55 2.051 -7.762 1.123 1.00 0.26 H new ATOM 0 HG22 VAL A 55 3.140 -8.284 2.430 1.00 0.26 H new ATOM 0 HG23 VAL A 55 1.545 -7.598 2.821 1.00 0.26 H new ATOM 852 N LEU A 56 3.293 -3.446 3.336 1.00 0.15 N ATOM 853 CA LEU A 56 3.809 -2.050 3.370 1.00 0.13 C ATOM 854 C LEU A 56 4.553 -1.814 4.687 1.00 0.07 C ATOM 855 O LEU A 56 5.507 -1.068 4.747 1.00 0.04 O ATOM 856 CB LEU A 56 2.640 -1.068 3.263 1.00 0.18 C ATOM 857 CG LEU A 56 1.803 -1.399 2.026 1.00 0.24 C ATOM 858 CD1 LEU A 56 0.629 -0.423 1.927 1.00 0.31 C ATOM 859 CD2 LEU A 56 2.671 -1.278 0.771 1.00 0.18 C ATOM 0 H LEU A 56 2.319 -3.541 3.049 1.00 0.15 H new ATOM 0 HA LEU A 56 4.490 -1.895 2.533 1.00 0.13 H new ATOM 0 HB2 LEU A 56 2.021 -1.124 4.159 1.00 0.18 H new ATOM 0 HB3 LEU A 56 3.015 -0.047 3.198 1.00 0.18 H new ATOM 0 HG LEU A 56 1.424 -2.418 2.109 1.00 0.24 H new ATOM 0 HD11 LEU A 56 0.033 -0.659 1.046 1.00 0.31 H new ATOM 0 HD12 LEU A 56 0.008 -0.509 2.819 1.00 0.31 H new ATOM 0 HD13 LEU A 56 1.008 0.596 1.846 1.00 0.31 H new ATOM 0 HD21 LEU A 56 2.073 -1.514 -0.109 1.00 0.18 H new ATOM 0 HD22 LEU A 56 3.052 -0.260 0.689 1.00 0.18 H new ATOM 0 HD23 LEU A 56 3.507 -1.974 0.839 1.00 0.18 H new ATOM 871 N ARG A 57 4.124 -2.447 5.743 1.00 0.07 N ATOM 872 CA ARG A 57 4.810 -2.258 7.050 1.00 0.04 C ATOM 873 C ARG A 57 6.257 -2.746 6.941 1.00 0.05 C ATOM 874 O ARG A 57 7.191 -1.975 7.037 1.00 0.09 O ATOM 875 CB ARG A 57 4.081 -3.061 8.131 1.00 0.04 C ATOM 876 CG ARG A 57 3.544 -2.107 9.200 1.00 0.66 C ATOM 877 CD ARG A 57 2.781 -2.906 10.260 1.00 0.84 C ATOM 878 NE ARG A 57 2.202 -1.970 11.265 1.00 1.93 N ATOM 879 CZ ARG A 57 1.274 -2.385 12.083 1.00 2.35 C ATOM 880 NH1 ARG A 57 0.855 -3.619 12.023 1.00 1.89 N ATOM 881 NH2 ARG A 57 0.768 -1.565 12.964 1.00 3.37 N ATOM 0 H ARG A 57 3.329 -3.086 5.757 1.00 0.07 H new ATOM 0 HA ARG A 57 4.801 -1.201 7.315 1.00 0.04 H new ATOM 0 HB2 ARG A 57 3.261 -3.627 7.688 1.00 0.04 H new ATOM 0 HB3 ARG A 57 4.760 -3.784 8.582 1.00 0.04 H new ATOM 0 HG2 ARG A 57 4.367 -1.562 9.663 1.00 0.66 H new ATOM 0 HG3 ARG A 57 2.887 -1.366 8.745 1.00 0.66 H new ATOM 0 HD2 ARG A 57 1.988 -3.489 9.791 1.00 0.84 H new ATOM 0 HD3 ARG A 57 3.450 -3.614 10.749 1.00 0.84 H new ATOM 0 HE ARG A 57 2.531 -1.006 11.313 1.00 1.93 H new ATOM 0 HH11 ARG A 57 1.253 -4.260 11.336 1.00 1.89 H new ATOM 0 HH12 ARG A 57 0.130 -3.943 12.663 1.00 1.89 H new ATOM 0 HH21 ARG A 57 1.098 -0.601 13.012 1.00 3.37 H new ATOM 0 HH22 ARG A 57 0.042 -1.888 13.604 1.00 3.37 H new ATOM 895 N GLN A 58 6.449 -4.021 6.744 1.00 0.08 N ATOM 896 CA GLN A 58 7.833 -4.561 6.632 1.00 0.15 C ATOM 897 C GLN A 58 8.542 -3.924 5.433 1.00 0.11 C ATOM 898 O GLN A 58 9.708 -4.167 5.191 1.00 0.13 O ATOM 899 CB GLN A 58 7.775 -6.077 6.441 1.00 0.24 C ATOM 900 CG GLN A 58 6.823 -6.412 5.292 1.00 0.33 C ATOM 901 CD GLN A 58 6.723 -7.931 5.136 1.00 0.78 C ATOM 902 OE1 GLN A 58 7.509 -8.534 4.431 1.00 0.77 O ATOM 903 NE2 GLN A 58 5.784 -8.580 5.769 1.00 2.11 N ATOM 0 H GLN A 58 5.705 -4.714 6.656 1.00 0.08 H new ATOM 0 HA GLN A 58 8.384 -4.328 7.543 1.00 0.15 H new ATOM 0 HB2 GLN A 58 8.771 -6.465 6.227 1.00 0.24 H new ATOM 0 HB3 GLN A 58 7.436 -6.557 7.359 1.00 0.24 H new ATOM 0 HG2 GLN A 58 5.837 -5.991 5.488 1.00 0.33 H new ATOM 0 HG3 GLN A 58 7.183 -5.964 4.366 1.00 0.33 H new ATOM 0 HE21 GLN A 58 5.124 -8.074 6.361 1.00 2.11 H new ATOM 0 HE22 GLN A 58 5.710 -9.593 5.672 1.00 2.11 H new ATOM 912 N PHE A 59 7.851 -3.117 4.675 1.00 0.06 N ATOM 913 CA PHE A 59 8.493 -2.478 3.491 1.00 0.06 C ATOM 914 C PHE A 59 9.223 -1.200 3.917 1.00 0.04 C ATOM 915 O PHE A 59 10.436 -1.159 3.975 1.00 0.05 O ATOM 916 CB PHE A 59 7.424 -2.129 2.453 1.00 0.10 C ATOM 917 CG PHE A 59 8.092 -1.723 1.160 1.00 0.07 C ATOM 918 CD1 PHE A 59 8.494 -2.701 0.242 1.00 0.12 C ATOM 919 CD2 PHE A 59 8.310 -0.369 0.880 1.00 0.06 C ATOM 920 CE1 PHE A 59 9.113 -2.324 -0.955 1.00 0.13 C ATOM 921 CE2 PHE A 59 8.930 0.008 -0.317 1.00 0.05 C ATOM 922 CZ PHE A 59 9.331 -0.970 -1.235 1.00 0.07 C ATOM 0 H PHE A 59 6.872 -2.873 4.824 1.00 0.06 H new ATOM 0 HA PHE A 59 9.211 -3.175 3.058 1.00 0.06 H new ATOM 0 HB2 PHE A 59 6.772 -2.986 2.285 1.00 0.10 H new ATOM 0 HB3 PHE A 59 6.796 -1.318 2.821 1.00 0.10 H new ATOM 0 HD1 PHE A 59 8.326 -3.746 0.458 1.00 0.12 H new ATOM 0 HD2 PHE A 59 8.000 0.385 1.588 1.00 0.06 H new ATOM 0 HE1 PHE A 59 9.423 -3.078 -1.663 1.00 0.13 H new ATOM 0 HE2 PHE A 59 9.099 1.053 -0.532 1.00 0.05 H new ATOM 0 HZ PHE A 59 9.809 -0.680 -2.159 1.00 0.07 H new ATOM 932 N TYR A 60 8.497 -0.153 4.204 1.00 0.04 N ATOM 933 CA TYR A 60 9.156 1.121 4.612 1.00 0.07 C ATOM 934 C TYR A 60 9.737 0.985 6.021 1.00 0.07 C ATOM 935 O TYR A 60 10.355 1.897 6.534 1.00 0.12 O ATOM 936 CB TYR A 60 8.132 2.260 4.587 1.00 0.10 C ATOM 937 CG TYR A 60 7.077 2.021 5.641 1.00 0.10 C ATOM 938 CD1 TYR A 60 7.334 2.343 6.979 1.00 0.11 C ATOM 939 CD2 TYR A 60 5.839 1.476 5.279 1.00 0.09 C ATOM 940 CE1 TYR A 60 6.354 2.121 7.953 1.00 0.12 C ATOM 941 CE2 TYR A 60 4.859 1.254 6.253 1.00 0.09 C ATOM 942 CZ TYR A 60 5.116 1.577 7.591 1.00 0.10 C ATOM 943 OH TYR A 60 4.150 1.358 8.552 1.00 0.11 O ATOM 0 H TYR A 60 7.478 -0.125 4.174 1.00 0.04 H new ATOM 0 HA TYR A 60 9.964 1.342 3.914 1.00 0.07 H new ATOM 0 HB2 TYR A 60 8.630 3.213 4.767 1.00 0.10 H new ATOM 0 HB3 TYR A 60 7.668 2.323 3.603 1.00 0.10 H new ATOM 0 HD1 TYR A 60 8.289 2.763 7.260 1.00 0.11 H new ATOM 0 HD2 TYR A 60 5.640 1.227 4.247 1.00 0.09 H new ATOM 0 HE1 TYR A 60 6.553 2.370 8.985 1.00 0.12 H new ATOM 0 HE2 TYR A 60 3.905 0.834 5.973 1.00 0.09 H new ATOM 0 HH TYR A 60 4.558 1.404 9.442 1.00 0.11 H new ATOM 953 N SER A 61 9.547 -0.139 6.654 1.00 0.08 N ATOM 954 CA SER A 61 10.096 -0.314 8.029 1.00 0.12 C ATOM 955 C SER A 61 11.545 -0.798 7.944 1.00 0.09 C ATOM 956 O SER A 61 12.416 -0.299 8.626 1.00 0.13 O ATOM 957 CB SER A 61 9.258 -1.344 8.787 1.00 0.27 C ATOM 958 OG SER A 61 7.944 -0.836 8.972 1.00 0.32 O ATOM 0 H SER A 61 9.038 -0.941 6.282 1.00 0.08 H new ATOM 0 HA SER A 61 10.062 0.640 8.556 1.00 0.12 H new ATOM 0 HB2 SER A 61 9.223 -2.281 8.231 1.00 0.27 H new ATOM 0 HB3 SER A 61 9.715 -1.562 9.752 1.00 0.27 H new ATOM 0 HG SER A 61 7.416 -0.990 8.161 1.00 0.32 H new ATOM 964 N HIS A 62 11.809 -1.771 7.113 1.00 0.16 N ATOM 965 CA HIS A 62 13.202 -2.285 6.989 1.00 0.26 C ATOM 966 C HIS A 62 13.945 -1.504 5.903 1.00 0.25 C ATOM 967 O HIS A 62 15.018 -0.981 6.126 1.00 0.59 O ATOM 968 CB HIS A 62 13.164 -3.769 6.614 1.00 0.36 C ATOM 969 CG HIS A 62 12.857 -4.588 7.837 1.00 0.38 C ATOM 970 ND1 HIS A 62 13.567 -5.734 8.156 1.00 1.63 N ATOM 971 CD2 HIS A 62 11.919 -4.439 8.829 1.00 1.06 C ATOM 972 CE1 HIS A 62 13.051 -6.226 9.297 1.00 1.27 C ATOM 973 NE2 HIS A 62 12.043 -5.475 9.749 1.00 0.55 N ATOM 0 H HIS A 62 11.121 -2.231 6.516 1.00 0.16 H new ATOM 0 HA HIS A 62 13.720 -2.161 7.940 1.00 0.26 H new ATOM 0 HB2 HIS A 62 12.408 -3.942 5.848 1.00 0.36 H new ATOM 0 HB3 HIS A 62 14.122 -4.073 6.191 1.00 0.36 H new ATOM 0 HD2 HIS A 62 11.195 -3.639 8.886 1.00 1.06 H new ATOM 0 HE1 HIS A 62 13.408 -7.119 9.788 1.00 1.27 H new ATOM 0 HE2 HIS A 62 11.484 -5.628 10.588 1.00 0.55 H new ATOM 981 N HIS A 63 13.384 -1.424 4.727 1.00 0.30 N ATOM 982 CA HIS A 63 14.060 -0.682 3.626 1.00 0.29 C ATOM 983 C HIS A 63 14.459 0.714 4.115 1.00 0.30 C ATOM 984 O HIS A 63 15.570 1.160 3.906 1.00 0.38 O ATOM 985 CB HIS A 63 13.104 -0.551 2.439 1.00 0.27 C ATOM 986 CG HIS A 63 12.804 -1.916 1.885 1.00 0.26 C ATOM 987 ND1 HIS A 63 13.799 -2.853 1.650 1.00 0.27 N ATOM 988 CD2 HIS A 63 11.627 -2.518 1.516 1.00 0.26 C ATOM 989 CE1 HIS A 63 13.208 -3.958 1.161 1.00 0.27 C ATOM 990 NE2 HIS A 63 11.884 -3.808 1.059 1.00 0.26 N ATOM 0 H HIS A 63 12.486 -1.841 4.481 1.00 0.30 H new ATOM 0 HA HIS A 63 14.953 -1.226 3.318 1.00 0.29 H new ATOM 0 HB2 HIS A 63 12.181 -0.063 2.753 1.00 0.27 H new ATOM 0 HB3 HIS A 63 13.549 0.077 1.667 1.00 0.27 H new ATOM 0 HD2 HIS A 63 10.650 -2.061 1.572 1.00 0.26 H new ATOM 0 HE1 HIS A 63 13.739 -4.857 0.884 1.00 0.27 H new ATOM 0 HE2 HIS A 63 11.207 -4.491 0.719 1.00 0.26 H new ATOM 998 N GLU A 64 13.563 1.406 4.762 1.00 0.25 N ATOM 999 CA GLU A 64 13.893 2.772 5.259 1.00 0.25 C ATOM 1000 C GLU A 64 15.238 2.740 5.989 1.00 0.32 C ATOM 1001 O GLU A 64 15.935 3.733 6.067 1.00 0.34 O ATOM 1002 CB GLU A 64 12.801 3.243 6.223 1.00 0.24 C ATOM 1003 CG GLU A 64 13.267 4.510 6.943 1.00 0.26 C ATOM 1004 CD GLU A 64 13.921 4.130 8.273 1.00 1.55 C ATOM 1005 OE1 GLU A 64 13.248 3.522 9.090 1.00 2.44 O ATOM 1006 OE2 GLU A 64 15.084 4.451 8.452 1.00 2.42 O ATOM 0 H GLU A 64 12.617 1.085 4.968 1.00 0.25 H new ATOM 0 HA GLU A 64 13.954 3.459 4.415 1.00 0.25 H new ATOM 0 HB2 GLU A 64 11.879 3.441 5.676 1.00 0.24 H new ATOM 0 HB3 GLU A 64 12.579 2.460 6.949 1.00 0.24 H new ATOM 0 HG2 GLU A 64 13.976 5.055 6.320 1.00 0.26 H new ATOM 0 HG3 GLU A 64 12.420 5.174 7.118 1.00 0.26 H new ATOM 1013 N LYS A 65 15.609 1.609 6.524 1.00 0.41 N ATOM 1014 CA LYS A 65 16.909 1.518 7.247 1.00 0.53 C ATOM 1015 C LYS A 65 18.004 1.065 6.278 1.00 0.59 C ATOM 1016 O LYS A 65 19.176 1.289 6.502 1.00 0.64 O ATOM 1017 CB LYS A 65 16.788 0.508 8.390 1.00 0.56 C ATOM 1018 CG LYS A 65 16.201 1.198 9.622 1.00 0.65 C ATOM 1019 CD LYS A 65 15.380 0.191 10.430 1.00 0.65 C ATOM 1020 CE LYS A 65 14.831 0.870 11.685 1.00 0.42 C ATOM 1021 NZ LYS A 65 13.803 -0.007 12.315 1.00 1.01 N ATOM 0 H LYS A 65 15.068 0.745 6.492 1.00 0.41 H new ATOM 0 HA LYS A 65 17.167 2.496 7.653 1.00 0.53 H new ATOM 0 HB2 LYS A 65 16.151 -0.324 8.088 1.00 0.56 H new ATOM 0 HB3 LYS A 65 17.767 0.091 8.626 1.00 0.56 H new ATOM 0 HG2 LYS A 65 17.001 1.608 10.238 1.00 0.65 H new ATOM 0 HG3 LYS A 65 15.572 2.035 9.318 1.00 0.65 H new ATOM 0 HD2 LYS A 65 14.560 -0.195 9.824 1.00 0.65 H new ATOM 0 HD3 LYS A 65 16.001 -0.661 10.707 1.00 0.65 H new ATOM 0 HE2 LYS A 65 15.640 1.065 12.390 1.00 0.42 H new ATOM 0 HE3 LYS A 65 14.393 1.835 11.428 1.00 0.42 H new ATOM 0 HZ1 LYS A 65 13.429 0.454 13.169 1.00 1.01 H new ATOM 0 HZ2 LYS A 65 13.027 -0.171 11.642 1.00 1.01 H new ATOM 0 HZ3 LYS A 65 14.235 -0.917 12.574 1.00 1.01 H new ATOM 1035 N ASP A 66 17.630 0.428 5.202 1.00 0.62 N ATOM 1036 CA ASP A 66 18.650 -0.038 4.220 1.00 0.71 C ATOM 1037 C ASP A 66 19.204 1.163 3.450 1.00 0.60 C ATOM 1038 O ASP A 66 18.492 2.101 3.149 1.00 0.56 O ATOM 1039 CB ASP A 66 18.005 -1.019 3.239 1.00 0.87 C ATOM 1040 CG ASP A 66 19.077 -1.947 2.665 1.00 1.42 C ATOM 1041 OD1 ASP A 66 20.134 -1.451 2.312 1.00 2.34 O ATOM 1042 OD2 ASP A 66 18.822 -3.138 2.588 1.00 1.54 O ATOM 0 H ASP A 66 16.663 0.210 4.961 1.00 0.62 H new ATOM 0 HA ASP A 66 19.462 -0.536 4.750 1.00 0.71 H new ATOM 0 HB2 ASP A 66 17.236 -1.603 3.745 1.00 0.87 H new ATOM 0 HB3 ASP A 66 17.512 -0.474 2.434 1.00 0.87 H new ATOM 1047 N THR A 67 20.469 1.142 3.130 1.00 0.58 N ATOM 1048 CA THR A 67 21.067 2.284 2.380 1.00 0.50 C ATOM 1049 C THR A 67 21.008 1.996 0.878 1.00 0.63 C ATOM 1050 O THR A 67 21.907 2.336 0.136 1.00 0.68 O ATOM 1051 CB THR A 67 22.525 2.466 2.807 1.00 0.39 C ATOM 1052 OG1 THR A 67 23.221 1.239 2.644 1.00 0.36 O ATOM 1053 CG2 THR A 67 22.579 2.896 4.274 1.00 0.49 C ATOM 0 H THR A 67 21.114 0.385 3.355 1.00 0.58 H new ATOM 0 HA THR A 67 20.508 3.194 2.597 1.00 0.50 H new ATOM 0 HB THR A 67 22.992 3.233 2.189 1.00 0.39 H new ATOM 0 HG1 THR A 67 24.156 1.354 2.915 1.00 0.36 H new ATOM 0 HG21 THR A 67 23.618 3.025 4.577 1.00 0.49 H new ATOM 0 HG22 THR A 67 22.045 3.838 4.397 1.00 0.49 H new ATOM 0 HG23 THR A 67 22.112 2.131 4.895 1.00 0.49 H new ATOM 1061 N ARG A 68 19.955 1.370 0.425 1.00 0.70 N ATOM 1062 CA ARG A 68 19.838 1.061 -1.029 1.00 0.83 C ATOM 1063 C ARG A 68 19.047 2.169 -1.726 1.00 0.75 C ATOM 1064 O ARG A 68 19.521 2.795 -2.652 1.00 0.80 O ATOM 1065 CB ARG A 68 19.111 -0.273 -1.208 1.00 0.97 C ATOM 1066 CG ARG A 68 19.968 -1.404 -0.635 1.00 0.94 C ATOM 1067 CD ARG A 68 20.435 -2.317 -1.770 1.00 1.31 C ATOM 1068 NE ARG A 68 21.238 -3.439 -1.207 1.00 1.11 N ATOM 1069 CZ ARG A 68 21.488 -4.493 -1.936 1.00 1.22 C ATOM 1070 NH1 ARG A 68 21.034 -4.564 -3.157 1.00 1.42 N ATOM 1071 NH2 ARG A 68 22.190 -5.475 -1.443 1.00 1.63 N ATOM 0 H ARG A 68 19.171 1.059 0.999 1.00 0.70 H new ATOM 0 HA ARG A 68 20.834 0.996 -1.467 1.00 0.83 H new ATOM 0 HB2 ARG A 68 18.145 -0.243 -0.704 1.00 0.97 H new ATOM 0 HB3 ARG A 68 18.913 -0.452 -2.265 1.00 0.97 H new ATOM 0 HG2 ARG A 68 20.829 -0.991 -0.109 1.00 0.94 H new ATOM 0 HG3 ARG A 68 19.394 -1.976 0.093 1.00 0.94 H new ATOM 0 HD2 ARG A 68 19.575 -2.708 -2.314 1.00 1.31 H new ATOM 0 HD3 ARG A 68 21.033 -1.751 -2.484 1.00 1.31 H new ATOM 0 HE ARG A 68 21.592 -3.384 -0.252 1.00 1.11 H new ATOM 0 HH11 ARG A 68 20.484 -3.796 -3.542 1.00 1.42 H new ATOM 0 HH12 ARG A 68 21.229 -5.387 -3.727 1.00 1.42 H new ATOM 0 HH21 ARG A 68 22.544 -5.420 -0.488 1.00 1.63 H new ATOM 0 HH22 ARG A 68 22.385 -6.298 -2.012 1.00 1.63 H new ATOM 1085 N CYS A 69 17.842 2.416 -1.287 1.00 0.66 N ATOM 1086 CA CYS A 69 17.020 3.482 -1.925 1.00 0.58 C ATOM 1087 C CYS A 69 17.505 4.854 -1.453 1.00 0.61 C ATOM 1088 O CYS A 69 16.944 5.875 -1.800 1.00 0.67 O ATOM 1089 CB CYS A 69 15.554 3.293 -1.532 1.00 0.50 C ATOM 1090 SG CYS A 69 15.136 1.533 -1.597 1.00 0.41 S ATOM 0 H CYS A 69 17.392 1.925 -0.514 1.00 0.66 H new ATOM 0 HA CYS A 69 17.118 3.419 -3.009 1.00 0.58 H new ATOM 0 HB2 CYS A 69 15.382 3.682 -0.528 1.00 0.50 H new ATOM 0 HB3 CYS A 69 14.910 3.856 -2.207 1.00 0.50 H new ATOM 1095 N LEU A 70 18.547 4.887 -0.666 1.00 0.57 N ATOM 1096 CA LEU A 70 19.069 6.194 -0.175 1.00 0.60 C ATOM 1097 C LEU A 70 20.169 6.687 -1.117 1.00 0.61 C ATOM 1098 O LEU A 70 20.095 7.772 -1.659 1.00 0.74 O ATOM 1099 CB LEU A 70 19.644 6.021 1.233 1.00 0.48 C ATOM 1100 CG LEU A 70 18.649 5.255 2.105 1.00 0.68 C ATOM 1101 CD1 LEU A 70 19.162 5.210 3.546 1.00 0.46 C ATOM 1102 CD2 LEU A 70 17.292 5.962 2.072 1.00 1.22 C ATOM 0 H LEU A 70 19.058 4.066 -0.342 1.00 0.57 H new ATOM 0 HA LEU A 70 18.258 6.921 -0.147 1.00 0.60 H new ATOM 0 HB2 LEU A 70 20.591 5.483 1.186 1.00 0.48 H new ATOM 0 HB3 LEU A 70 19.853 6.996 1.673 1.00 0.48 H new ATOM 0 HG LEU A 70 18.541 4.239 1.725 1.00 0.68 H new ATOM 0 HD11 LEU A 70 18.453 4.664 4.168 1.00 0.46 H new ATOM 0 HD12 LEU A 70 20.129 4.708 3.572 1.00 0.46 H new ATOM 0 HD13 LEU A 70 19.270 6.226 3.926 1.00 0.46 H new ATOM 0 HD21 LEU A 70 16.582 5.416 2.694 1.00 1.22 H new ATOM 0 HD22 LEU A 70 17.402 6.978 2.452 1.00 1.22 H new ATOM 0 HD23 LEU A 70 16.925 5.996 1.046 1.00 1.22 H new ATOM 1114 N GLY A 71 21.190 5.899 -1.315 1.00 0.54 N ATOM 1115 CA GLY A 71 22.294 6.322 -2.222 1.00 0.66 C ATOM 1116 C GLY A 71 23.187 7.335 -1.502 1.00 0.53 C ATOM 1117 O GLY A 71 23.388 7.257 -0.307 1.00 0.46 O ATOM 0 H GLY A 71 21.307 4.980 -0.888 1.00 0.54 H new ATOM 0 HA2 GLY A 71 22.881 5.455 -2.526 1.00 0.66 H new ATOM 0 HA3 GLY A 71 21.884 6.764 -3.130 1.00 0.66 H new ATOM 1121 N ALA A 72 23.725 8.282 -2.226 1.00 0.55 N ATOM 1122 CA ALA A 72 24.610 9.304 -1.593 1.00 0.47 C ATOM 1123 C ALA A 72 24.294 10.686 -2.173 1.00 0.44 C ATOM 1124 O ALA A 72 24.898 11.674 -1.807 1.00 0.85 O ATOM 1125 CB ALA A 72 26.072 8.956 -1.876 1.00 0.55 C ATOM 0 H ALA A 72 23.589 8.392 -3.231 1.00 0.55 H new ATOM 0 HA ALA A 72 24.439 9.315 -0.517 1.00 0.47 H new ATOM 0 HB1 ALA A 72 26.719 9.702 -1.414 1.00 0.55 H new ATOM 0 HB2 ALA A 72 26.299 7.973 -1.463 1.00 0.55 H new ATOM 0 HB3 ALA A 72 26.242 8.945 -2.953 1.00 0.55 H new ATOM 1131 N THR A 73 23.354 10.764 -3.076 1.00 0.05 N ATOM 1132 CA THR A 73 23.006 12.083 -3.674 1.00 0.15 C ATOM 1133 C THR A 73 22.048 12.828 -2.743 1.00 0.19 C ATOM 1134 O THR A 73 21.292 12.228 -2.004 1.00 0.38 O ATOM 1135 CB THR A 73 22.333 11.866 -5.032 1.00 0.21 C ATOM 1136 OG1 THR A 73 22.906 10.731 -5.666 1.00 1.09 O ATOM 1137 CG2 THR A 73 22.536 13.101 -5.908 1.00 1.13 C ATOM 0 H THR A 73 22.813 9.972 -3.424 1.00 0.05 H new ATOM 0 HA THR A 73 23.913 12.672 -3.808 1.00 0.15 H new ATOM 0 HB THR A 73 21.265 11.701 -4.887 1.00 0.21 H new ATOM 0 HG1 THR A 73 22.475 10.589 -6.535 1.00 1.09 H new ATOM 0 HG21 THR A 73 22.056 12.945 -6.874 1.00 1.13 H new ATOM 0 HG22 THR A 73 22.094 13.970 -5.420 1.00 1.13 H new ATOM 0 HG23 THR A 73 23.602 13.271 -6.056 1.00 1.13 H new ATOM 1145 N ALA A 74 22.073 14.133 -2.772 1.00 0.04 N ATOM 1146 CA ALA A 74 21.163 14.914 -1.888 1.00 0.07 C ATOM 1147 C ALA A 74 19.767 14.965 -2.511 1.00 0.10 C ATOM 1148 O ALA A 74 18.787 15.231 -1.842 1.00 0.24 O ATOM 1149 CB ALA A 74 21.703 16.337 -1.731 1.00 0.05 C ATOM 0 H ALA A 74 22.684 14.691 -3.369 1.00 0.04 H new ATOM 0 HA ALA A 74 21.107 14.436 -0.910 1.00 0.07 H new ATOM 0 HB1 ALA A 74 21.038 16.909 -1.084 1.00 0.05 H new ATOM 0 HB2 ALA A 74 22.698 16.302 -1.288 1.00 0.05 H new ATOM 0 HB3 ALA A 74 21.758 16.815 -2.709 1.00 0.05 H new ATOM 1155 N GLN A 75 19.666 14.713 -3.787 1.00 0.17 N ATOM 1156 CA GLN A 75 18.333 14.748 -4.451 1.00 0.20 C ATOM 1157 C GLN A 75 17.596 13.433 -4.186 1.00 0.19 C ATOM 1158 O GLN A 75 16.417 13.420 -3.893 1.00 0.12 O ATOM 1159 CB GLN A 75 18.518 14.935 -5.958 1.00 0.23 C ATOM 1160 CG GLN A 75 19.102 13.657 -6.564 1.00 0.38 C ATOM 1161 CD GLN A 75 19.653 13.959 -7.959 1.00 0.66 C ATOM 1162 OE1 GLN A 75 20.699 14.561 -8.094 1.00 0.55 O ATOM 1163 NE2 GLN A 75 18.987 13.563 -9.009 1.00 1.69 N ATOM 0 H GLN A 75 20.450 14.484 -4.399 1.00 0.17 H new ATOM 0 HA GLN A 75 17.750 15.578 -4.051 1.00 0.20 H new ATOM 0 HB2 GLN A 75 17.562 15.168 -6.426 1.00 0.23 H new ATOM 0 HB3 GLN A 75 19.181 15.778 -6.152 1.00 0.23 H new ATOM 0 HG2 GLN A 75 19.895 13.268 -5.925 1.00 0.38 H new ATOM 0 HG3 GLN A 75 18.334 12.886 -6.624 1.00 0.38 H new ATOM 0 HE21 GLN A 75 18.109 13.057 -8.895 1.00 1.69 H new ATOM 0 HE22 GLN A 75 19.345 13.759 -9.944 1.00 1.69 H new ATOM 1172 N GLN A 76 18.282 12.328 -4.287 1.00 0.28 N ATOM 1173 CA GLN A 76 17.619 11.016 -4.041 1.00 0.28 C ATOM 1174 C GLN A 76 17.389 10.834 -2.539 1.00 0.29 C ATOM 1175 O GLN A 76 16.475 10.153 -2.119 1.00 0.27 O ATOM 1176 CB GLN A 76 18.513 9.887 -4.559 1.00 0.36 C ATOM 1177 CG GLN A 76 17.653 8.666 -4.893 1.00 0.46 C ATOM 1178 CD GLN A 76 16.945 8.891 -6.230 1.00 1.62 C ATOM 1179 OE1 GLN A 76 15.871 9.459 -6.274 1.00 2.91 O ATOM 1180 NE2 GLN A 76 17.503 8.466 -7.330 1.00 1.88 N ATOM 0 H GLN A 76 19.272 12.277 -4.529 1.00 0.28 H new ATOM 0 HA GLN A 76 16.662 10.990 -4.562 1.00 0.28 H new ATOM 0 HB2 GLN A 76 19.056 10.216 -5.445 1.00 0.36 H new ATOM 0 HB3 GLN A 76 19.258 9.625 -3.808 1.00 0.36 H new ATOM 0 HG2 GLN A 76 18.275 7.773 -4.945 1.00 0.46 H new ATOM 0 HG3 GLN A 76 16.919 8.498 -4.105 1.00 0.46 H new ATOM 0 HE21 GLN A 76 18.404 7.989 -7.294 1.00 1.88 H new ATOM 0 HE22 GLN A 76 17.038 8.610 -8.226 1.00 1.88 H new ATOM 1189 N PHE A 77 18.211 11.439 -1.726 1.00 0.33 N ATOM 1190 CA PHE A 77 18.039 11.302 -0.253 1.00 0.36 C ATOM 1191 C PHE A 77 16.669 11.848 0.154 1.00 0.34 C ATOM 1192 O PHE A 77 15.892 11.181 0.809 1.00 0.41 O ATOM 1193 CB PHE A 77 19.137 12.090 0.464 1.00 0.39 C ATOM 1194 CG PHE A 77 18.797 12.211 1.930 1.00 0.26 C ATOM 1195 CD1 PHE A 77 19.127 11.176 2.814 1.00 0.11 C ATOM 1196 CD2 PHE A 77 18.150 13.358 2.408 1.00 0.49 C ATOM 1197 CE1 PHE A 77 18.812 11.287 4.173 1.00 0.34 C ATOM 1198 CE2 PHE A 77 17.836 13.469 3.767 1.00 0.59 C ATOM 1199 CZ PHE A 77 18.166 12.434 4.650 1.00 0.53 C ATOM 0 H PHE A 77 18.995 12.023 -2.019 1.00 0.33 H new ATOM 0 HA PHE A 77 18.107 10.250 0.025 1.00 0.36 H new ATOM 0 HB2 PHE A 77 20.097 11.588 0.343 1.00 0.39 H new ATOM 0 HB3 PHE A 77 19.237 13.081 0.020 1.00 0.39 H new ATOM 0 HD1 PHE A 77 19.625 10.291 2.446 1.00 0.11 H new ATOM 0 HD2 PHE A 77 17.894 14.157 1.728 1.00 0.49 H new ATOM 0 HE1 PHE A 77 19.067 10.488 4.854 1.00 0.34 H new ATOM 0 HE2 PHE A 77 17.339 14.354 4.135 1.00 0.59 H new ATOM 0 HZ PHE A 77 17.922 12.520 5.699 1.00 0.53 H new ATOM 1209 N HIS A 78 16.365 13.059 -0.229 1.00 0.27 N ATOM 1210 CA HIS A 78 15.046 13.647 0.136 1.00 0.29 C ATOM 1211 C HIS A 78 13.935 12.913 -0.618 1.00 0.27 C ATOM 1212 O HIS A 78 12.960 12.477 -0.038 1.00 0.29 O ATOM 1213 CB HIS A 78 15.026 15.129 -0.242 1.00 0.27 C ATOM 1214 CG HIS A 78 13.627 15.665 -0.098 1.00 0.56 C ATOM 1215 ND1 HIS A 78 13.195 16.792 -0.780 1.00 1.22 N ATOM 1216 CD2 HIS A 78 12.554 15.240 0.644 1.00 0.58 C ATOM 1217 CE1 HIS A 78 11.911 17.004 -0.438 1.00 1.58 C ATOM 1218 NE2 HIS A 78 11.471 16.088 0.428 1.00 1.17 N ATOM 0 H HIS A 78 16.974 13.666 -0.779 1.00 0.27 H new ATOM 0 HA HIS A 78 14.886 13.544 1.209 1.00 0.29 H new ATOM 0 HB2 HIS A 78 15.709 15.688 0.398 1.00 0.27 H new ATOM 0 HB3 HIS A 78 15.373 15.258 -1.267 1.00 0.27 H new ATOM 0 HD2 HIS A 78 12.550 14.379 1.296 1.00 0.58 H new ATOM 0 HE1 HIS A 78 11.309 17.816 -0.818 1.00 1.58 H new ATOM 0 HE2 HIS A 78 10.541 16.023 0.842 1.00 1.17 H new ATOM 1226 N ARG A 79 14.072 12.773 -1.908 1.00 0.22 N ATOM 1227 CA ARG A 79 13.024 12.068 -2.697 1.00 0.20 C ATOM 1228 C ARG A 79 12.696 10.731 -2.029 1.00 0.20 C ATOM 1229 O ARG A 79 11.614 10.198 -2.182 1.00 0.20 O ATOM 1230 CB ARG A 79 13.534 11.817 -4.117 1.00 0.19 C ATOM 1231 CG ARG A 79 12.366 11.893 -5.101 1.00 0.28 C ATOM 1232 CD ARG A 79 12.750 11.193 -6.406 1.00 0.56 C ATOM 1233 NE ARG A 79 12.186 11.951 -7.559 1.00 0.86 N ATOM 1234 CZ ARG A 79 12.622 11.720 -8.767 1.00 0.99 C ATOM 1235 NH1 ARG A 79 13.553 10.827 -8.966 1.00 0.99 N ATOM 1236 NH2 ARG A 79 12.128 12.383 -9.776 1.00 1.40 N ATOM 0 H ARG A 79 14.865 13.117 -2.450 1.00 0.22 H new ATOM 0 HA ARG A 79 12.126 12.684 -2.738 1.00 0.20 H new ATOM 0 HB2 ARG A 79 14.292 12.556 -4.378 1.00 0.19 H new ATOM 0 HB3 ARG A 79 14.010 10.838 -4.176 1.00 0.19 H new ATOM 0 HG2 ARG A 79 11.483 11.422 -4.670 1.00 0.28 H new ATOM 0 HG3 ARG A 79 12.109 12.934 -5.297 1.00 0.28 H new ATOM 0 HD2 ARG A 79 13.835 11.131 -6.493 1.00 0.56 H new ATOM 0 HD3 ARG A 79 12.371 10.171 -6.408 1.00 0.56 H new ATOM 0 HE ARG A 79 11.460 12.650 -7.404 1.00 0.86 H new ATOM 0 HH11 ARG A 79 13.940 10.309 -8.177 1.00 0.99 H new ATOM 0 HH12 ARG A 79 13.893 10.647 -9.911 1.00 0.99 H new ATOM 0 HH21 ARG A 79 11.401 13.082 -9.620 1.00 1.40 H new ATOM 0 HH22 ARG A 79 12.468 12.203 -10.720 1.00 1.40 H new ATOM 1250 N HIS A 80 13.621 10.184 -1.288 1.00 0.21 N ATOM 1251 CA HIS A 80 13.359 8.881 -0.613 1.00 0.21 C ATOM 1252 C HIS A 80 12.513 9.117 0.639 1.00 0.21 C ATOM 1253 O HIS A 80 11.499 8.480 0.843 1.00 0.22 O ATOM 1254 CB HIS A 80 14.688 8.236 -0.216 1.00 0.22 C ATOM 1255 CG HIS A 80 14.421 7.023 0.632 1.00 0.27 C ATOM 1256 ND1 HIS A 80 13.959 5.832 0.094 1.00 0.26 N ATOM 1257 CD2 HIS A 80 14.544 6.801 1.982 1.00 0.42 C ATOM 1258 CE1 HIS A 80 13.821 4.956 1.105 1.00 0.34 C ATOM 1259 NE2 HIS A 80 14.165 5.495 2.278 1.00 0.43 N ATOM 0 H HIS A 80 14.545 10.582 -1.121 1.00 0.21 H new ATOM 0 HA HIS A 80 12.824 8.220 -1.294 1.00 0.21 H new ATOM 0 HB2 HIS A 80 15.249 7.954 -1.107 1.00 0.22 H new ATOM 0 HB3 HIS A 80 15.301 8.950 0.334 1.00 0.22 H new ATOM 0 HD1 HIS A 80 13.760 5.653 -0.890 1.00 0.26 H new ATOM 0 HD2 HIS A 80 14.883 7.529 2.704 1.00 0.42 H new ATOM 0 HE1 HIS A 80 13.474 3.940 0.983 1.00 0.34 H new ATOM 1267 N LYS A 81 12.920 10.029 1.480 1.00 0.21 N ATOM 1268 CA LYS A 81 12.136 10.303 2.717 1.00 0.21 C ATOM 1269 C LYS A 81 10.671 10.529 2.346 1.00 0.23 C ATOM 1270 O LYS A 81 9.775 9.943 2.922 1.00 0.28 O ATOM 1271 CB LYS A 81 12.687 11.557 3.403 1.00 0.17 C ATOM 1272 CG LYS A 81 14.164 11.350 3.753 1.00 0.31 C ATOM 1273 CD LYS A 81 14.307 10.193 4.747 1.00 1.39 C ATOM 1274 CE LYS A 81 15.556 10.409 5.604 1.00 1.26 C ATOM 1275 NZ LYS A 81 15.390 11.642 6.423 1.00 0.59 N ATOM 0 H LYS A 81 13.760 10.595 1.364 1.00 0.21 H new ATOM 0 HA LYS A 81 12.215 9.454 3.396 1.00 0.21 H new ATOM 0 HB2 LYS A 81 12.577 12.420 2.746 1.00 0.17 H new ATOM 0 HB3 LYS A 81 12.116 11.769 4.307 1.00 0.17 H new ATOM 0 HG2 LYS A 81 14.735 11.137 2.849 1.00 0.31 H new ATOM 0 HG3 LYS A 81 14.576 12.263 4.182 1.00 0.31 H new ATOM 0 HD2 LYS A 81 13.423 10.133 5.382 1.00 1.39 H new ATOM 0 HD3 LYS A 81 14.379 9.246 4.212 1.00 1.39 H new ATOM 0 HE2 LYS A 81 15.718 9.548 6.253 1.00 1.26 H new ATOM 0 HE3 LYS A 81 16.436 10.499 4.967 1.00 1.26 H new ATOM 0 HZ1 LYS A 81 15.581 11.424 7.422 1.00 0.59 H new ATOM 0 HZ2 LYS A 81 16.056 12.370 6.094 1.00 0.59 H new ATOM 0 HZ3 LYS A 81 14.416 11.995 6.326 1.00 0.59 H new ATOM 1289 N GLN A 82 10.419 11.375 1.386 1.00 0.21 N ATOM 1290 CA GLN A 82 9.012 11.639 0.975 1.00 0.23 C ATOM 1291 C GLN A 82 8.305 10.309 0.704 1.00 0.25 C ATOM 1292 O GLN A 82 7.202 10.077 1.157 1.00 0.33 O ATOM 1293 CB GLN A 82 9.003 12.491 -0.295 1.00 0.23 C ATOM 1294 CG GLN A 82 7.616 13.109 -0.487 1.00 0.45 C ATOM 1295 CD GLN A 82 7.639 14.567 -0.024 1.00 1.35 C ATOM 1296 OE1 GLN A 82 8.055 14.859 1.081 1.00 2.93 O ATOM 1297 NE2 GLN A 82 7.207 15.501 -0.826 1.00 1.07 N ATOM 0 H GLN A 82 11.127 11.895 0.868 1.00 0.21 H new ATOM 0 HA GLN A 82 8.493 12.172 1.772 1.00 0.23 H new ATOM 0 HB2 GLN A 82 9.756 13.276 -0.224 1.00 0.23 H new ATOM 0 HB3 GLN A 82 9.262 11.878 -1.158 1.00 0.23 H new ATOM 0 HG2 GLN A 82 7.323 13.054 -1.536 1.00 0.45 H new ATOM 0 HG3 GLN A 82 6.874 12.548 0.081 1.00 0.45 H new ATOM 0 HE21 GLN A 82 6.858 15.256 -1.753 1.00 1.07 H new ATOM 0 HE22 GLN A 82 7.218 16.476 -0.526 1.00 1.07 H new ATOM 1306 N LEU A 83 8.932 9.434 -0.032 1.00 0.19 N ATOM 1307 CA LEU A 83 8.297 8.119 -0.331 1.00 0.20 C ATOM 1308 C LEU A 83 7.844 7.469 0.978 1.00 0.18 C ATOM 1309 O LEU A 83 6.691 7.127 1.148 1.00 0.23 O ATOM 1310 CB LEU A 83 9.314 7.212 -1.030 1.00 0.23 C ATOM 1311 CG LEU A 83 8.581 6.177 -1.889 1.00 0.25 C ATOM 1312 CD1 LEU A 83 9.604 5.295 -2.608 1.00 0.28 C ATOM 1313 CD2 LEU A 83 7.696 5.303 -0.999 1.00 0.24 C ATOM 0 H LEU A 83 9.857 9.572 -0.440 1.00 0.19 H new ATOM 0 HA LEU A 83 7.435 8.265 -0.982 1.00 0.20 H new ATOM 0 HB2 LEU A 83 9.980 7.809 -1.653 1.00 0.23 H new ATOM 0 HB3 LEU A 83 9.936 6.709 -0.290 1.00 0.23 H new ATOM 0 HG LEU A 83 7.961 6.692 -2.623 1.00 0.25 H new ATOM 0 HD11 LEU A 83 9.083 4.558 -3.219 1.00 0.28 H new ATOM 0 HD12 LEU A 83 10.235 5.915 -3.245 1.00 0.28 H new ATOM 0 HD13 LEU A 83 10.224 4.783 -1.872 1.00 0.28 H new ATOM 0 HD21 LEU A 83 7.176 4.568 -1.613 1.00 0.24 H new ATOM 0 HD22 LEU A 83 8.315 4.789 -0.263 1.00 0.24 H new ATOM 0 HD23 LEU A 83 6.966 5.929 -0.485 1.00 0.24 H new ATOM 1325 N ILE A 84 8.744 7.299 1.909 1.00 0.14 N ATOM 1326 CA ILE A 84 8.368 6.674 3.209 1.00 0.13 C ATOM 1327 C ILE A 84 7.132 7.375 3.777 1.00 0.11 C ATOM 1328 O ILE A 84 6.199 6.740 4.227 1.00 0.15 O ATOM 1329 CB ILE A 84 9.530 6.813 4.197 1.00 0.13 C ATOM 1330 CG1 ILE A 84 10.844 6.441 3.502 1.00 0.17 C ATOM 1331 CG2 ILE A 84 9.305 5.883 5.391 1.00 0.15 C ATOM 1332 CD1 ILE A 84 10.682 5.105 2.774 1.00 0.21 C ATOM 0 H ILE A 84 9.725 7.567 1.825 1.00 0.14 H new ATOM 0 HA ILE A 84 8.146 5.618 3.052 1.00 0.13 H new ATOM 0 HB ILE A 84 9.583 7.844 4.546 1.00 0.13 H new ATOM 0 HG12 ILE A 84 11.125 7.220 2.794 1.00 0.17 H new ATOM 0 HG13 ILE A 84 11.647 6.372 4.235 1.00 0.17 H new ATOM 0 HG21 ILE A 84 10.133 5.984 6.092 1.00 0.15 H new ATOM 0 HG22 ILE A 84 8.373 6.150 5.889 1.00 0.15 H new ATOM 0 HG23 ILE A 84 9.248 4.852 5.043 1.00 0.15 H new ATOM 0 HD11 ILE A 84 11.618 4.843 2.281 1.00 0.21 H new ATOM 0 HD12 ILE A 84 10.421 4.328 3.493 1.00 0.21 H new ATOM 0 HD13 ILE A 84 9.891 5.190 2.029 1.00 0.21 H new ATOM 1344 N ARG A 85 7.119 8.680 3.762 1.00 0.15 N ATOM 1345 CA ARG A 85 5.944 9.419 4.305 1.00 0.14 C ATOM 1346 C ARG A 85 4.677 8.988 3.564 1.00 0.07 C ATOM 1347 O ARG A 85 3.663 8.697 4.168 1.00 0.11 O ATOM 1348 CB ARG A 85 6.157 10.922 4.118 1.00 0.17 C ATOM 1349 CG ARG A 85 7.375 11.371 4.926 1.00 1.23 C ATOM 1350 CD ARG A 85 6.919 12.227 6.108 1.00 0.83 C ATOM 1351 NE ARG A 85 5.996 11.435 6.968 1.00 1.95 N ATOM 1352 CZ ARG A 85 5.716 11.844 8.175 1.00 2.72 C ATOM 1353 NH1 ARG A 85 6.245 12.948 8.629 1.00 2.48 N ATOM 1354 NH2 ARG A 85 4.909 11.150 8.929 1.00 4.05 N ATOM 0 H ARG A 85 7.870 9.266 3.398 1.00 0.15 H new ATOM 0 HA ARG A 85 5.835 9.195 5.366 1.00 0.14 H new ATOM 0 HB2 ARG A 85 6.304 11.150 3.062 1.00 0.17 H new ATOM 0 HB3 ARG A 85 5.271 11.468 4.442 1.00 0.17 H new ATOM 0 HG2 ARG A 85 7.927 10.502 5.285 1.00 1.23 H new ATOM 0 HG3 ARG A 85 8.055 11.941 4.292 1.00 1.23 H new ATOM 0 HD2 ARG A 85 7.782 12.555 6.688 1.00 0.83 H new ATOM 0 HD3 ARG A 85 6.417 13.125 5.748 1.00 0.83 H new ATOM 0 HE ARG A 85 5.583 10.573 6.613 1.00 1.95 H new ATOM 0 HH11 ARG A 85 6.877 13.490 8.040 1.00 2.48 H new ATOM 0 HH12 ARG A 85 6.026 13.268 9.572 1.00 2.48 H new ATOM 0 HH21 ARG A 85 4.496 10.287 8.575 1.00 4.05 H new ATOM 0 HH22 ARG A 85 4.691 11.470 9.872 1.00 4.05 H new ATOM 1368 N PHE A 86 4.724 8.945 2.262 1.00 0.08 N ATOM 1369 CA PHE A 86 3.520 8.533 1.486 1.00 0.13 C ATOM 1370 C PHE A 86 3.004 7.195 2.017 1.00 0.06 C ATOM 1371 O PHE A 86 1.834 7.039 2.303 1.00 0.17 O ATOM 1372 CB PHE A 86 3.888 8.390 0.009 1.00 0.23 C ATOM 1373 CG PHE A 86 3.563 9.672 -0.718 1.00 0.27 C ATOM 1374 CD1 PHE A 86 2.285 9.870 -1.253 1.00 0.58 C ATOM 1375 CD2 PHE A 86 4.541 10.665 -0.857 1.00 0.13 C ATOM 1376 CE1 PHE A 86 1.983 11.060 -1.926 1.00 0.67 C ATOM 1377 CE2 PHE A 86 4.239 11.855 -1.531 1.00 0.13 C ATOM 1378 CZ PHE A 86 2.961 12.052 -2.065 1.00 0.43 C ATOM 0 H PHE A 86 5.544 9.177 1.701 1.00 0.08 H new ATOM 0 HA PHE A 86 2.743 9.290 1.593 1.00 0.13 H new ATOM 0 HB2 PHE A 86 4.949 8.161 -0.092 1.00 0.23 H new ATOM 0 HB3 PHE A 86 3.339 7.559 -0.434 1.00 0.23 H new ATOM 0 HD1 PHE A 86 1.531 9.104 -1.147 1.00 0.58 H new ATOM 0 HD2 PHE A 86 5.528 10.513 -0.445 1.00 0.13 H new ATOM 0 HE1 PHE A 86 0.996 11.213 -2.338 1.00 0.67 H new ATOM 0 HE2 PHE A 86 4.993 12.621 -1.639 1.00 0.13 H new ATOM 0 HZ PHE A 86 2.729 12.970 -2.585 1.00 0.43 H new ATOM 1388 N LEU A 87 3.868 6.227 2.151 1.00 0.08 N ATOM 1389 CA LEU A 87 3.423 4.899 2.663 1.00 0.17 C ATOM 1390 C LEU A 87 2.919 5.049 4.099 1.00 0.21 C ATOM 1391 O LEU A 87 1.793 4.715 4.409 1.00 0.42 O ATOM 1392 CB LEU A 87 4.600 3.921 2.633 1.00 0.25 C ATOM 1393 CG LEU A 87 5.235 3.929 1.242 1.00 0.19 C ATOM 1394 CD1 LEU A 87 6.406 2.945 1.207 1.00 0.25 C ATOM 1395 CD2 LEU A 87 4.190 3.513 0.204 1.00 0.42 C ATOM 0 H LEU A 87 4.861 6.297 1.929 1.00 0.08 H new ATOM 0 HA LEU A 87 2.618 4.518 2.035 1.00 0.17 H new ATOM 0 HB2 LEU A 87 5.339 4.202 3.383 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.258 2.916 2.883 1.00 0.25 H new ATOM 0 HG LEU A 87 5.597 4.932 1.015 1.00 0.19 H new ATOM 0 HD11 LEU A 87 6.857 2.952 0.215 1.00 0.25 H new ATOM 0 HD12 LEU A 87 7.151 3.239 1.947 1.00 0.25 H new ATOM 0 HD13 LEU A 87 6.045 1.942 1.434 1.00 0.25 H new ATOM 0 HD21 LEU A 87 4.641 3.518 -0.788 1.00 0.42 H new ATOM 0 HD22 LEU A 87 3.829 2.511 0.433 1.00 0.42 H new ATOM 0 HD23 LEU A 87 3.355 4.214 0.227 1.00 0.42 H new ATOM 1407 N LYS A 88 3.744 5.549 4.978 1.00 0.15 N ATOM 1408 CA LYS A 88 3.309 5.719 6.394 1.00 0.14 C ATOM 1409 C LYS A 88 1.933 6.386 6.427 1.00 0.10 C ATOM 1410 O LYS A 88 1.233 6.339 7.420 1.00 0.14 O ATOM 1411 CB LYS A 88 4.320 6.597 7.135 1.00 0.12 C ATOM 1412 CG LYS A 88 5.371 5.712 7.806 1.00 0.14 C ATOM 1413 CD LYS A 88 6.431 6.591 8.472 1.00 0.43 C ATOM 1414 CE LYS A 88 6.774 6.023 9.850 1.00 0.40 C ATOM 1415 NZ LYS A 88 7.947 6.753 10.410 1.00 1.26 N ATOM 0 H LYS A 88 4.699 5.847 4.778 1.00 0.15 H new ATOM 0 HA LYS A 88 3.252 4.744 6.877 1.00 0.14 H new ATOM 0 HB2 LYS A 88 4.800 7.285 6.438 1.00 0.12 H new ATOM 0 HB3 LYS A 88 3.810 7.205 7.883 1.00 0.12 H new ATOM 0 HG2 LYS A 88 4.899 5.068 8.548 1.00 0.14 H new ATOM 0 HG3 LYS A 88 5.837 5.059 7.068 1.00 0.14 H new ATOM 0 HD2 LYS A 88 7.326 6.633 7.851 1.00 0.43 H new ATOM 0 HD3 LYS A 88 6.063 7.612 8.569 1.00 0.43 H new ATOM 0 HE2 LYS A 88 5.919 6.120 10.519 1.00 0.40 H new ATOM 0 HE3 LYS A 88 6.998 4.959 9.771 1.00 0.40 H new ATOM 0 HZ1 LYS A 88 8.181 6.367 11.347 1.00 1.26 H new ATOM 0 HZ2 LYS A 88 8.763 6.638 9.775 1.00 1.26 H new ATOM 0 HZ3 LYS A 88 7.717 7.763 10.499 1.00 1.26 H new ATOM 1429 N ARG A 89 1.537 7.007 5.350 1.00 0.07 N ATOM 1430 CA ARG A 89 0.206 7.676 5.322 1.00 0.06 C ATOM 1431 C ARG A 89 -0.872 6.658 4.943 1.00 0.06 C ATOM 1432 O ARG A 89 -1.670 6.249 5.764 1.00 0.08 O ATOM 1433 CB ARG A 89 0.225 8.807 4.290 1.00 0.09 C ATOM 1434 CG ARG A 89 -0.972 9.731 4.523 1.00 0.08 C ATOM 1435 CD ARG A 89 -0.902 10.911 3.553 1.00 0.51 C ATOM 1436 NE ARG A 89 -0.738 12.177 4.322 1.00 0.78 N ATOM 1437 CZ ARG A 89 -0.362 13.268 3.710 1.00 1.11 C ATOM 1438 NH1 ARG A 89 -0.130 13.249 2.427 1.00 1.39 N ATOM 1439 NH2 ARG A 89 -0.218 14.376 4.384 1.00 1.56 N ATOM 0 H ARG A 89 2.078 7.080 4.488 1.00 0.07 H new ATOM 0 HA ARG A 89 -0.014 8.086 6.308 1.00 0.06 H new ATOM 0 HB2 ARG A 89 1.154 9.371 4.370 1.00 0.09 H new ATOM 0 HB3 ARG A 89 0.188 8.394 3.282 1.00 0.09 H new ATOM 0 HG2 ARG A 89 -1.902 9.182 4.378 1.00 0.08 H new ATOM 0 HG3 ARG A 89 -0.972 10.092 5.552 1.00 0.08 H new ATOM 0 HD2 ARG A 89 -0.067 10.780 2.864 1.00 0.51 H new ATOM 0 HD3 ARG A 89 -1.809 10.954 2.950 1.00 0.51 H new ATOM 0 HE ARG A 89 -0.919 12.192 5.326 1.00 0.78 H new ATOM 0 HH11 ARG A 89 -0.242 12.382 1.901 1.00 1.39 H new ATOM 0 HH12 ARG A 89 0.164 14.101 1.949 1.00 1.39 H new ATOM 0 HH21 ARG A 89 -0.399 14.390 5.388 1.00 1.56 H new ATOM 0 HH22 ARG A 89 0.076 15.229 3.907 1.00 1.56 H new ATOM 1453 N LEU A 90 -0.903 6.245 3.705 1.00 0.06 N ATOM 1454 CA LEU A 90 -1.930 5.254 3.277 1.00 0.07 C ATOM 1455 C LEU A 90 -1.830 4.003 4.151 1.00 0.08 C ATOM 1456 O LEU A 90 -2.729 3.186 4.186 1.00 0.14 O ATOM 1457 CB LEU A 90 -1.695 4.874 1.813 1.00 0.08 C ATOM 1458 CG LEU A 90 -0.295 4.278 1.654 1.00 0.10 C ATOM 1459 CD1 LEU A 90 -0.399 2.760 1.502 1.00 0.12 C ATOM 1460 CD2 LEU A 90 0.371 4.869 0.410 1.00 0.10 C ATOM 0 H LEU A 90 -0.262 6.551 2.973 1.00 0.06 H new ATOM 0 HA LEU A 90 -2.922 5.692 3.384 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -2.446 4.154 1.489 1.00 0.08 H new ATOM 0 HB3 LEU A 90 -1.801 5.753 1.177 1.00 0.08 H new ATOM 0 HG LEU A 90 0.302 4.514 2.535 1.00 0.10 H new ATOM 0 HD11 LEU A 90 0.599 2.336 1.389 1.00 0.12 H new ATOM 0 HD12 LEU A 90 -0.874 2.337 2.387 1.00 0.12 H new ATOM 0 HD13 LEU A 90 -0.996 2.523 0.621 1.00 0.12 H new ATOM 0 HD21 LEU A 90 1.369 4.445 0.295 1.00 0.10 H new ATOM 0 HD22 LEU A 90 -0.227 4.632 -0.470 1.00 0.10 H new ATOM 0 HD23 LEU A 90 0.447 5.951 0.517 1.00 0.10 H new ATOM 1472 N ASP A 91 -0.745 3.846 4.859 1.00 0.22 N ATOM 1473 CA ASP A 91 -0.591 2.647 5.730 1.00 0.27 C ATOM 1474 C ASP A 91 -1.653 2.677 6.832 1.00 0.27 C ATOM 1475 O ASP A 91 -2.377 1.722 7.036 1.00 0.40 O ATOM 1476 CB ASP A 91 0.801 2.651 6.363 1.00 0.37 C ATOM 1477 CG ASP A 91 0.988 1.381 7.195 1.00 0.12 C ATOM 1478 OD1 ASP A 91 1.216 0.338 6.605 1.00 1.22 O ATOM 1479 OD2 ASP A 91 0.899 1.472 8.409 1.00 1.03 O ATOM 0 H ASP A 91 0.041 4.496 4.872 1.00 0.22 H new ATOM 0 HA ASP A 91 -0.714 1.745 5.131 1.00 0.27 H new ATOM 0 HB2 ASP A 91 1.565 2.706 5.587 1.00 0.37 H new ATOM 0 HB3 ASP A 91 0.923 3.532 6.993 1.00 0.37 H new ATOM 1484 N ARG A 92 -1.754 3.766 7.543 1.00 0.30 N ATOM 1485 CA ARG A 92 -2.769 3.855 8.630 1.00 0.28 C ATOM 1486 C ARG A 92 -4.163 3.989 8.017 1.00 0.21 C ATOM 1487 O ARG A 92 -5.144 3.534 8.574 1.00 0.21 O ATOM 1488 CB ARG A 92 -2.477 5.077 9.503 1.00 0.33 C ATOM 1489 CG ARG A 92 -1.358 4.745 10.493 1.00 0.69 C ATOM 1490 CD ARG A 92 -0.094 4.354 9.724 1.00 1.56 C ATOM 1491 NE ARG A 92 1.105 4.658 10.555 1.00 2.03 N ATOM 1492 CZ ARG A 92 2.263 4.144 10.244 1.00 3.65 C ATOM 1493 NH1 ARG A 92 2.371 3.361 9.205 1.00 4.92 N ATOM 1494 NH2 ARG A 92 3.313 4.412 10.970 1.00 4.16 N ATOM 0 H ARG A 92 -1.177 4.598 7.418 1.00 0.30 H new ATOM 0 HA ARG A 92 -2.726 2.953 9.241 1.00 0.28 H new ATOM 0 HB2 ARG A 92 -2.185 5.921 8.878 1.00 0.33 H new ATOM 0 HB3 ARG A 92 -3.376 5.375 10.042 1.00 0.33 H new ATOM 0 HG2 ARG A 92 -1.156 5.605 11.132 1.00 0.69 H new ATOM 0 HG3 ARG A 92 -1.666 3.928 11.146 1.00 0.69 H new ATOM 0 HD2 ARG A 92 -0.119 3.293 9.477 1.00 1.56 H new ATOM 0 HD3 ARG A 92 -0.045 4.900 8.782 1.00 1.56 H new ATOM 0 HE ARG A 92 1.020 5.269 11.368 1.00 2.03 H new ATOM 0 HH11 ARG A 92 1.550 3.151 8.637 1.00 4.92 H new ATOM 0 HH12 ARG A 92 3.276 2.959 8.961 1.00 4.92 H new ATOM 0 HH21 ARG A 92 3.229 5.024 11.782 1.00 4.16 H new ATOM 0 HH22 ARG A 92 4.218 4.010 10.726 1.00 4.16 H new ATOM 1508 N ASN A 93 -4.261 4.608 6.873 1.00 0.16 N ATOM 1509 CA ASN A 93 -5.594 4.770 6.226 1.00 0.11 C ATOM 1510 C ASN A 93 -6.204 3.392 5.965 1.00 0.09 C ATOM 1511 O ASN A 93 -7.291 3.088 6.417 1.00 0.10 O ATOM 1512 CB ASN A 93 -5.430 5.515 4.900 1.00 0.14 C ATOM 1513 CG ASN A 93 -4.557 6.753 5.113 1.00 0.28 C ATOM 1514 OD1 ASN A 93 -4.249 7.463 4.177 1.00 0.74 O ATOM 1515 ND2 ASN A 93 -4.143 7.045 6.316 1.00 1.21 N ATOM 0 H ASN A 93 -3.477 5.008 6.358 1.00 0.16 H new ATOM 0 HA ASN A 93 -6.251 5.340 6.884 1.00 0.11 H new ATOM 0 HB2 ASN A 93 -4.975 4.860 4.157 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -6.406 5.808 4.512 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.561 7.869 6.469 1.00 1.21 H new ATOM 0 HD22 ASN A 93 -4.401 6.449 7.103 1.00 1.21 H new ATOM 1522 N LEU A 94 -5.515 2.556 5.238 1.00 0.17 N ATOM 1523 CA LEU A 94 -6.057 1.198 4.949 1.00 0.21 C ATOM 1524 C LEU A 94 -6.388 0.494 6.266 1.00 0.21 C ATOM 1525 O LEU A 94 -7.528 0.182 6.545 1.00 0.25 O ATOM 1526 CB LEU A 94 -5.012 0.379 4.184 1.00 0.22 C ATOM 1527 CG LEU A 94 -4.618 1.103 2.889 1.00 0.23 C ATOM 1528 CD1 LEU A 94 -3.265 0.580 2.408 1.00 0.42 C ATOM 1529 CD2 LEU A 94 -5.669 0.849 1.800 1.00 0.31 C ATOM 0 H LEU A 94 -4.601 2.754 4.832 1.00 0.17 H new ATOM 0 HA LEU A 94 -6.959 1.289 4.344 1.00 0.21 H new ATOM 0 HB2 LEU A 94 -4.131 0.227 4.807 1.00 0.22 H new ATOM 0 HB3 LEU A 94 -5.412 -0.608 3.951 1.00 0.22 H new ATOM 0 HG LEU A 94 -4.557 2.173 3.087 1.00 0.23 H new ATOM 0 HD11 LEU A 94 -2.983 1.093 1.488 1.00 0.42 H new ATOM 0 HD12 LEU A 94 -2.511 0.765 3.173 1.00 0.42 H new ATOM 0 HD13 LEU A 94 -3.335 -0.491 2.219 1.00 0.42 H new ATOM 0 HD21 LEU A 94 -5.379 1.368 0.886 1.00 0.31 H new ATOM 0 HD22 LEU A 94 -5.738 -0.221 1.604 1.00 0.31 H new ATOM 0 HD23 LEU A 94 -6.638 1.220 2.136 1.00 0.31 H new ATOM 1541 N TRP A 95 -5.400 0.242 7.081 1.00 0.19 N ATOM 1542 CA TRP A 95 -5.660 -0.441 8.378 1.00 0.22 C ATOM 1543 C TRP A 95 -6.696 0.354 9.174 1.00 0.21 C ATOM 1544 O TRP A 95 -7.198 -0.098 10.184 1.00 0.22 O ATOM 1545 CB TRP A 95 -4.360 -0.529 9.179 1.00 0.21 C ATOM 1546 CG TRP A 95 -4.638 -1.135 10.517 1.00 0.26 C ATOM 1547 CD1 TRP A 95 -5.027 -0.448 11.616 1.00 0.33 C ATOM 1548 CD2 TRP A 95 -4.558 -2.534 10.917 1.00 0.28 C ATOM 1549 NE1 TRP A 95 -5.190 -1.335 12.664 1.00 0.37 N ATOM 1550 CE2 TRP A 95 -4.913 -2.633 12.283 1.00 0.34 C ATOM 1551 CE3 TRP A 95 -4.215 -3.715 10.233 1.00 0.29 C ATOM 1552 CZ2 TRP A 95 -4.928 -3.859 12.948 1.00 0.38 C ATOM 1553 CZ3 TRP A 95 -4.229 -4.951 10.900 1.00 0.34 C ATOM 1554 CH2 TRP A 95 -4.584 -5.023 12.254 1.00 0.38 C ATOM 0 H TRP A 95 -4.424 0.480 6.904 1.00 0.19 H new ATOM 0 HA TRP A 95 -6.039 -1.446 8.189 1.00 0.22 H new ATOM 0 HB2 TRP A 95 -3.629 -1.131 8.640 1.00 0.21 H new ATOM 0 HB3 TRP A 95 -3.928 0.464 9.301 1.00 0.21 H new ATOM 0 HD1 TRP A 95 -5.184 0.619 11.666 1.00 0.33 H new ATOM 0 HE1 TRP A 95 -5.479 -1.064 13.604 1.00 0.37 H new ATOM 0 HE3 TRP A 95 -3.940 -3.671 9.190 1.00 0.29 H new ATOM 0 HZ2 TRP A 95 -5.203 -3.909 13.991 1.00 0.38 H new ATOM 0 HZ3 TRP A 95 -3.965 -5.852 10.366 1.00 0.34 H new ATOM 0 HH2 TRP A 95 -4.592 -5.977 12.761 1.00 0.38 H new ATOM 1565 N GLY A 96 -7.022 1.537 8.729 1.00 0.18 N ATOM 1566 CA GLY A 96 -8.026 2.359 9.461 1.00 0.17 C ATOM 1567 C GLY A 96 -9.431 1.836 9.164 1.00 0.21 C ATOM 1568 O GLY A 96 -10.077 1.250 10.010 1.00 0.25 O ATOM 0 H GLY A 96 -6.636 1.970 7.890 1.00 0.18 H new ATOM 0 HA2 GLY A 96 -7.831 2.320 10.533 1.00 0.17 H new ATOM 0 HA3 GLY A 96 -7.945 3.404 9.160 1.00 0.17 H new ATOM 1572 N LEU A 97 -9.910 2.042 7.968 1.00 0.25 N ATOM 1573 CA LEU A 97 -11.275 1.555 7.618 1.00 0.29 C ATOM 1574 C LEU A 97 -11.336 0.036 7.786 1.00 0.36 C ATOM 1575 O LEU A 97 -12.363 -0.580 7.584 1.00 0.42 O ATOM 1576 CB LEU A 97 -11.610 1.934 6.168 1.00 0.35 C ATOM 1577 CG LEU A 97 -10.462 1.533 5.224 1.00 0.43 C ATOM 1578 CD1 LEU A 97 -10.382 0.006 5.079 1.00 0.45 C ATOM 1579 CD2 LEU A 97 -10.708 2.152 3.846 1.00 0.51 C ATOM 0 H LEU A 97 -9.416 2.526 7.218 1.00 0.25 H new ATOM 0 HA LEU A 97 -12.003 2.020 8.282 1.00 0.29 H new ATOM 0 HB2 LEU A 97 -12.531 1.438 5.860 1.00 0.35 H new ATOM 0 HB3 LEU A 97 -11.787 3.007 6.099 1.00 0.35 H new ATOM 0 HG LEU A 97 -9.523 1.895 5.643 1.00 0.43 H new ATOM 0 HD11 LEU A 97 -9.564 -0.253 4.407 1.00 0.45 H new ATOM 0 HD12 LEU A 97 -10.206 -0.444 6.056 1.00 0.45 H new ATOM 0 HD13 LEU A 97 -11.320 -0.370 4.670 1.00 0.45 H new ATOM 0 HD21 LEU A 97 -9.899 1.872 3.172 1.00 0.51 H new ATOM 0 HD22 LEU A 97 -11.655 1.788 3.447 1.00 0.51 H new ATOM 0 HD23 LEU A 97 -10.746 3.238 3.936 1.00 0.51 H new ATOM 1591 N ALA A 98 -10.242 -0.574 8.154 1.00 0.36 N ATOM 1592 CA ALA A 98 -10.237 -2.053 8.333 1.00 0.44 C ATOM 1593 C ALA A 98 -10.768 -2.400 9.725 1.00 0.44 C ATOM 1594 O ALA A 98 -11.860 -2.912 9.874 1.00 0.51 O ATOM 1595 CB ALA A 98 -8.809 -2.579 8.185 1.00 0.46 C ATOM 0 H ALA A 98 -9.352 -0.112 8.338 1.00 0.36 H new ATOM 0 HA ALA A 98 -10.873 -2.513 7.577 1.00 0.44 H new ATOM 0 HB1 ALA A 98 -8.804 -3.661 8.316 1.00 0.46 H new ATOM 0 HB2 ALA A 98 -8.431 -2.332 7.193 1.00 0.46 H new ATOM 0 HB3 ALA A 98 -8.172 -2.120 8.941 1.00 0.46 H new ATOM 1601 N GLY A 99 -10.004 -2.127 10.746 1.00 0.41 N ATOM 1602 CA GLY A 99 -10.465 -2.442 12.128 1.00 0.46 C ATOM 1603 C GLY A 99 -10.241 -3.927 12.415 1.00 0.52 C ATOM 1604 O GLY A 99 -10.920 -4.522 13.229 1.00 0.42 O ATOM 0 H GLY A 99 -9.080 -1.699 10.684 1.00 0.41 H new ATOM 0 HA2 GLY A 99 -9.921 -1.835 12.851 1.00 0.46 H new ATOM 0 HA3 GLY A 99 -11.521 -2.195 12.235 1.00 0.46 H new ATOM 1608 N LEU A 100 -9.294 -4.533 11.753 1.00 0.71 N ATOM 1609 CA LEU A 100 -9.027 -5.979 11.988 1.00 0.79 C ATOM 1610 C LEU A 100 -8.089 -6.137 13.186 1.00 0.67 C ATOM 1611 O LEU A 100 -6.952 -5.708 13.157 1.00 0.57 O ATOM 1612 CB LEU A 100 -8.373 -6.587 10.745 1.00 0.79 C ATOM 1613 CG LEU A 100 -9.337 -7.578 10.092 1.00 1.00 C ATOM 1614 CD1 LEU A 100 -8.779 -8.013 8.735 1.00 1.08 C ATOM 1615 CD2 LEU A 100 -9.493 -8.806 10.994 1.00 0.98 C ATOM 0 H LEU A 100 -8.693 -4.088 11.059 1.00 0.71 H new ATOM 0 HA LEU A 100 -9.967 -6.492 12.192 1.00 0.79 H new ATOM 0 HB2 LEU A 100 -8.110 -5.800 10.038 1.00 0.79 H new ATOM 0 HB3 LEU A 100 -7.447 -7.092 11.019 1.00 0.79 H new ATOM 0 HG LEU A 100 -10.308 -7.102 9.952 1.00 1.00 H new ATOM 0 HD11 LEU A 100 -9.466 -8.720 8.269 1.00 1.08 H new ATOM 0 HD12 LEU A 100 -8.664 -7.140 8.092 1.00 1.08 H new ATOM 0 HD13 LEU A 100 -7.809 -8.489 8.876 1.00 1.08 H new ATOM 0 HD21 LEU A 100 -10.180 -9.514 10.530 1.00 0.98 H new ATOM 0 HD22 LEU A 100 -8.522 -9.281 11.133 1.00 0.98 H new ATOM 0 HD23 LEU A 100 -9.888 -8.498 11.962 1.00 0.98 H new ATOM 1627 N ASN A 101 -8.554 -6.749 14.240 1.00 0.74 N ATOM 1628 CA ASN A 101 -7.688 -6.932 15.439 1.00 0.75 C ATOM 1629 C ASN A 101 -6.701 -8.074 15.184 1.00 0.66 C ATOM 1630 O ASN A 101 -5.516 -7.859 15.021 1.00 0.54 O ATOM 1631 CB ASN A 101 -8.558 -7.271 16.650 1.00 0.97 C ATOM 1632 CG ASN A 101 -8.333 -6.230 17.748 1.00 0.70 C ATOM 1633 OD1 ASN A 101 -8.811 -5.118 17.654 1.00 1.83 O ATOM 1634 ND2 ASN A 101 -7.619 -6.547 18.794 1.00 1.08 N ATOM 0 H ASN A 101 -9.496 -7.130 14.323 1.00 0.74 H new ATOM 0 HA ASN A 101 -7.138 -6.012 15.634 1.00 0.75 H new ATOM 0 HB2 ASN A 101 -9.609 -7.290 16.362 1.00 0.97 H new ATOM 0 HB3 ASN A 101 -8.311 -8.266 17.021 1.00 0.97 H new ATOM 0 HD21 ASN A 101 -7.463 -5.860 19.532 1.00 1.08 H new ATOM 0 HD22 ASN A 101 -7.217 -7.481 18.873 1.00 1.08 H new ATOM 1641 N SER A 102 -7.180 -9.287 15.149 1.00 0.72 N ATOM 1642 CA SER A 102 -6.269 -10.441 14.905 1.00 0.64 C ATOM 1643 C SER A 102 -6.160 -10.697 13.401 1.00 0.58 C ATOM 1644 O SER A 102 -7.152 -10.822 12.709 1.00 0.63 O ATOM 1645 CB SER A 102 -6.828 -11.686 15.596 1.00 0.67 C ATOM 1646 OG SER A 102 -6.039 -11.982 16.740 1.00 0.69 O ATOM 0 H SER A 102 -8.162 -9.529 15.279 1.00 0.72 H new ATOM 0 HA SER A 102 -5.281 -10.215 15.306 1.00 0.64 H new ATOM 0 HB2 SER A 102 -7.865 -11.519 15.888 1.00 0.67 H new ATOM 0 HB3 SER A 102 -6.823 -12.531 14.908 1.00 0.67 H new ATOM 0 HG SER A 102 -6.396 -12.778 17.186 1.00 0.69 H new ATOM 1652 N CYS A 103 -4.963 -10.777 12.888 1.00 0.49 N ATOM 1653 CA CYS A 103 -4.792 -11.025 11.430 1.00 0.45 C ATOM 1654 C CYS A 103 -3.346 -11.453 11.142 1.00 0.31 C ATOM 1655 O CYS A 103 -2.606 -10.719 10.519 1.00 0.29 O ATOM 1656 CB CYS A 103 -5.097 -9.737 10.662 1.00 0.55 C ATOM 1657 SG CYS A 103 -4.648 -9.950 8.921 1.00 0.46 S ATOM 0 H CYS A 103 -4.096 -10.681 13.417 1.00 0.49 H new ATOM 0 HA CYS A 103 -5.473 -11.816 11.116 1.00 0.45 H new ATOM 0 HB2 CYS A 103 -6.156 -9.492 10.748 1.00 0.55 H new ATOM 0 HB3 CYS A 103 -4.541 -8.904 11.093 1.00 0.55 H new ATOM 1662 N PRO A 104 -2.979 -12.624 11.608 1.00 0.21 N ATOM 1663 CA PRO A 104 -1.615 -13.147 11.403 1.00 0.12 C ATOM 1664 C PRO A 104 -1.349 -13.359 9.910 1.00 0.16 C ATOM 1665 O PRO A 104 -2.243 -13.670 9.149 1.00 0.29 O ATOM 1666 CB PRO A 104 -1.590 -14.487 12.151 1.00 0.14 C ATOM 1667 CG PRO A 104 -2.994 -14.711 12.766 1.00 0.15 C ATOM 1668 CD PRO A 104 -3.876 -13.516 12.370 1.00 0.24 C ATOM 0 HA PRO A 104 -0.849 -12.462 11.767 1.00 0.12 H new ATOM 0 HB2 PRO A 104 -1.337 -15.300 11.470 1.00 0.14 H new ATOM 0 HB3 PRO A 104 -0.829 -14.475 12.931 1.00 0.14 H new ATOM 0 HG2 PRO A 104 -3.427 -15.643 12.401 1.00 0.15 H new ATOM 0 HG3 PRO A 104 -2.927 -14.794 13.851 1.00 0.15 H new ATOM 0 HD2 PRO A 104 -4.725 -13.834 11.765 1.00 0.24 H new ATOM 0 HD3 PRO A 104 -4.281 -13.014 13.249 1.00 0.24 H new ATOM 1676 N VAL A 105 -0.124 -13.194 9.489 1.00 0.15 N ATOM 1677 CA VAL A 105 0.202 -13.387 8.046 1.00 0.23 C ATOM 1678 C VAL A 105 0.698 -14.817 7.823 1.00 0.44 C ATOM 1679 O VAL A 105 1.447 -15.355 8.615 1.00 0.69 O ATOM 1680 CB VAL A 105 1.294 -12.398 7.635 1.00 0.19 C ATOM 1681 CG1 VAL A 105 2.653 -12.907 8.119 1.00 0.18 C ATOM 1682 CG2 VAL A 105 1.314 -12.268 6.111 1.00 0.28 C ATOM 0 H VAL A 105 0.665 -12.934 10.081 1.00 0.15 H new ATOM 0 HA VAL A 105 -0.690 -13.214 7.444 1.00 0.23 H new ATOM 0 HB VAL A 105 1.090 -11.425 8.082 1.00 0.19 H new ATOM 0 HG11 VAL A 105 3.431 -12.202 7.826 1.00 0.18 H new ATOM 0 HG12 VAL A 105 2.640 -13.003 9.205 1.00 0.18 H new ATOM 0 HG13 VAL A 105 2.858 -13.880 7.672 1.00 0.18 H new ATOM 0 HG21 VAL A 105 2.092 -11.563 5.816 1.00 0.28 H new ATOM 0 HG22 VAL A 105 1.518 -13.242 5.665 1.00 0.28 H new ATOM 0 HG23 VAL A 105 0.346 -11.906 5.764 1.00 0.28 H new ATOM 1692 N LYS A 106 0.288 -15.436 6.749 1.00 0.45 N ATOM 1693 CA LYS A 106 0.737 -16.830 6.474 1.00 0.62 C ATOM 1694 C LYS A 106 1.969 -16.801 5.574 1.00 0.67 C ATOM 1695 O LYS A 106 3.022 -16.325 5.951 1.00 0.71 O ATOM 1696 CB LYS A 106 -0.386 -17.605 5.772 1.00 0.76 C ATOM 1697 CG LYS A 106 -1.049 -16.716 4.712 1.00 1.79 C ATOM 1698 CD LYS A 106 -2.064 -17.536 3.906 1.00 1.80 C ATOM 1699 CE LYS A 106 -1.347 -18.632 3.108 1.00 2.28 C ATOM 1700 NZ LYS A 106 -2.085 -18.881 1.837 1.00 3.51 N ATOM 0 H LYS A 106 -0.339 -15.036 6.050 1.00 0.45 H new ATOM 0 HA LYS A 106 0.983 -17.321 7.416 1.00 0.62 H new ATOM 0 HB2 LYS A 106 0.017 -18.504 5.305 1.00 0.76 H new ATOM 0 HB3 LYS A 106 -1.127 -17.930 6.502 1.00 0.76 H new ATOM 0 HG2 LYS A 106 -1.547 -15.873 5.191 1.00 1.79 H new ATOM 0 HG3 LYS A 106 -0.292 -16.302 4.046 1.00 1.79 H new ATOM 0 HD2 LYS A 106 -2.795 -17.985 4.578 1.00 1.80 H new ATOM 0 HD3 LYS A 106 -2.613 -16.883 3.228 1.00 1.80 H new ATOM 0 HE2 LYS A 106 -0.322 -18.330 2.893 1.00 2.28 H new ATOM 0 HE3 LYS A 106 -1.292 -19.549 3.695 1.00 2.28 H new ATOM 0 HZ1 LYS A 106 -2.162 -19.905 1.675 1.00 3.51 H new ATOM 0 HZ2 LYS A 106 -3.037 -18.468 1.902 1.00 3.51 H new ATOM 0 HZ3 LYS A 106 -1.571 -18.443 1.046 1.00 3.51 H new ATOM 1714 N GLU A 107 1.837 -17.309 4.385 1.00 0.67 N ATOM 1715 CA GLU A 107 2.986 -17.324 3.436 1.00 0.70 C ATOM 1716 C GLU A 107 2.478 -17.072 2.016 1.00 0.60 C ATOM 1717 O GLU A 107 1.289 -17.016 1.772 1.00 0.55 O ATOM 1718 CB GLU A 107 3.679 -18.688 3.495 1.00 0.99 C ATOM 1719 CG GLU A 107 4.693 -18.699 4.640 1.00 1.26 C ATOM 1720 CD GLU A 107 5.897 -17.833 4.265 1.00 2.59 C ATOM 1721 OE1 GLU A 107 6.732 -18.308 3.512 1.00 2.83 O ATOM 1722 OE2 GLU A 107 5.964 -16.709 4.737 1.00 3.84 O ATOM 0 H GLU A 107 0.976 -17.719 4.024 1.00 0.67 H new ATOM 0 HA GLU A 107 3.695 -16.544 3.712 1.00 0.70 H new ATOM 0 HB2 GLU A 107 2.941 -19.476 3.642 1.00 0.99 H new ATOM 0 HB3 GLU A 107 4.181 -18.894 2.549 1.00 0.99 H new ATOM 0 HG2 GLU A 107 4.231 -18.322 5.552 1.00 1.26 H new ATOM 0 HG3 GLU A 107 5.016 -19.720 4.844 1.00 1.26 H new ATOM 1729 N ALA A 108 3.370 -16.920 1.075 1.00 0.64 N ATOM 1730 CA ALA A 108 2.938 -16.673 -0.329 1.00 0.61 C ATOM 1731 C ALA A 108 4.170 -16.568 -1.231 1.00 0.57 C ATOM 1732 O ALA A 108 5.293 -16.609 -0.771 1.00 0.58 O ATOM 1733 CB ALA A 108 2.145 -15.366 -0.395 1.00 0.46 C ATOM 0 H ALA A 108 4.379 -16.956 1.219 1.00 0.64 H new ATOM 0 HA ALA A 108 2.310 -17.497 -0.667 1.00 0.61 H new ATOM 0 HB1 ALA A 108 1.828 -15.184 -1.422 1.00 0.46 H new ATOM 0 HB2 ALA A 108 1.268 -15.440 0.248 1.00 0.46 H new ATOM 0 HB3 ALA A 108 2.773 -14.542 -0.058 1.00 0.46 H new ATOM 1739 N ASP A 109 3.968 -16.435 -2.514 1.00 0.67 N ATOM 1740 CA ASP A 109 5.127 -16.328 -3.443 1.00 0.61 C ATOM 1741 C ASP A 109 5.792 -14.960 -3.274 1.00 0.54 C ATOM 1742 O ASP A 109 6.232 -14.602 -2.199 1.00 0.54 O ATOM 1743 CB ASP A 109 4.641 -16.484 -4.885 1.00 0.63 C ATOM 1744 CG ASP A 109 3.920 -17.823 -5.041 1.00 0.62 C ATOM 1745 OD1 ASP A 109 4.197 -18.717 -4.258 1.00 1.33 O ATOM 1746 OD2 ASP A 109 3.100 -17.932 -5.938 1.00 0.30 O ATOM 0 H ASP A 109 3.051 -16.396 -2.958 1.00 0.67 H new ATOM 0 HA ASP A 109 5.848 -17.113 -3.216 1.00 0.61 H new ATOM 0 HB2 ASP A 109 3.969 -15.665 -5.144 1.00 0.63 H new ATOM 0 HB3 ASP A 109 5.486 -16.432 -5.572 1.00 0.63 H new ATOM 1751 N GLN A 110 5.869 -14.194 -4.327 1.00 0.50 N ATOM 1752 CA GLN A 110 6.505 -12.850 -4.225 1.00 0.45 C ATOM 1753 C GLN A 110 5.961 -11.944 -5.331 1.00 0.45 C ATOM 1754 O GLN A 110 5.425 -12.406 -6.318 1.00 0.47 O ATOM 1755 CB GLN A 110 8.021 -12.991 -4.379 1.00 0.45 C ATOM 1756 CG GLN A 110 8.709 -12.560 -3.082 1.00 1.25 C ATOM 1757 CD GLN A 110 10.206 -12.858 -3.175 1.00 1.16 C ATOM 1758 OE1 GLN A 110 10.728 -13.654 -2.417 1.00 1.92 O ATOM 1759 NE2 GLN A 110 10.926 -12.250 -4.077 1.00 1.30 N ATOM 0 H GLN A 110 5.519 -14.440 -5.253 1.00 0.50 H new ATOM 0 HA GLN A 110 6.278 -12.412 -3.253 1.00 0.45 H new ATOM 0 HB2 GLN A 110 8.279 -14.024 -4.614 1.00 0.45 H new ATOM 0 HB3 GLN A 110 8.371 -12.378 -5.210 1.00 0.45 H new ATOM 0 HG2 GLN A 110 8.549 -11.496 -2.910 1.00 1.25 H new ATOM 0 HG3 GLN A 110 8.274 -13.089 -2.234 1.00 1.25 H new ATOM 0 HE21 GLN A 110 10.490 -11.583 -4.713 1.00 1.30 H new ATOM 0 HE22 GLN A 110 11.925 -12.442 -4.146 1.00 1.30 H new ATOM 1768 N SER A 111 6.094 -10.655 -5.174 1.00 0.44 N ATOM 1769 CA SER A 111 5.583 -9.722 -6.217 1.00 0.44 C ATOM 1770 C SER A 111 6.445 -8.457 -6.235 1.00 0.40 C ATOM 1771 O SER A 111 7.183 -8.184 -5.308 1.00 0.46 O ATOM 1772 CB SER A 111 4.136 -9.346 -5.900 1.00 0.46 C ATOM 1773 OG SER A 111 3.993 -9.166 -4.497 1.00 0.54 O ATOM 0 H SER A 111 6.534 -10.209 -4.369 1.00 0.44 H new ATOM 0 HA SER A 111 5.627 -10.207 -7.192 1.00 0.44 H new ATOM 0 HB2 SER A 111 3.863 -8.431 -6.425 1.00 0.46 H new ATOM 0 HB3 SER A 111 3.461 -10.127 -6.249 1.00 0.46 H new ATOM 0 HG SER A 111 3.117 -8.771 -4.306 1.00 0.54 H new ATOM 1779 N THR A 112 6.359 -7.684 -7.283 1.00 0.40 N ATOM 1780 CA THR A 112 7.174 -6.438 -7.358 1.00 0.36 C ATOM 1781 C THR A 112 6.362 -5.263 -6.811 1.00 0.35 C ATOM 1782 O THR A 112 5.158 -5.202 -6.965 1.00 0.46 O ATOM 1783 CB THR A 112 7.550 -6.164 -8.816 1.00 0.41 C ATOM 1784 OG1 THR A 112 6.467 -6.527 -9.660 1.00 0.62 O ATOM 1785 CG2 THR A 112 8.787 -6.983 -9.190 1.00 0.25 C ATOM 0 H THR A 112 5.760 -7.861 -8.090 1.00 0.40 H new ATOM 0 HA THR A 112 8.080 -6.559 -6.765 1.00 0.36 H new ATOM 0 HB THR A 112 7.768 -5.103 -8.941 1.00 0.41 H new ATOM 0 HG1 THR A 112 6.706 -6.350 -10.594 1.00 0.62 H new ATOM 0 HG21 THR A 112 9.053 -6.786 -10.229 1.00 0.25 H new ATOM 0 HG22 THR A 112 9.618 -6.703 -8.543 1.00 0.25 H new ATOM 0 HG23 THR A 112 8.572 -8.044 -9.065 1.00 0.25 H new ATOM 1793 N LEU A 113 7.011 -4.328 -6.172 1.00 0.23 N ATOM 1794 CA LEU A 113 6.275 -3.157 -5.617 1.00 0.21 C ATOM 1795 C LEU A 113 5.483 -2.479 -6.736 1.00 0.22 C ATOM 1796 O LEU A 113 4.430 -1.915 -6.510 1.00 0.23 O ATOM 1797 CB LEU A 113 7.280 -2.164 -5.022 1.00 0.20 C ATOM 1798 CG LEU A 113 6.539 -1.005 -4.343 1.00 0.14 C ATOM 1799 CD1 LEU A 113 5.714 -1.525 -3.163 1.00 0.11 C ATOM 1800 CD2 LEU A 113 7.557 0.019 -3.835 1.00 0.25 C ATOM 0 H LEU A 113 8.018 -4.324 -6.010 1.00 0.23 H new ATOM 0 HA LEU A 113 5.588 -3.489 -4.838 1.00 0.21 H new ATOM 0 HB2 LEU A 113 7.919 -2.671 -4.299 1.00 0.20 H new ATOM 0 HB3 LEU A 113 7.931 -1.779 -5.807 1.00 0.20 H new ATOM 0 HG LEU A 113 5.871 -0.538 -5.067 1.00 0.14 H new ATOM 0 HD11 LEU A 113 5.193 -0.693 -2.689 1.00 0.11 H new ATOM 0 HD12 LEU A 113 4.986 -2.253 -3.521 1.00 0.11 H new ATOM 0 HD13 LEU A 113 6.375 -1.999 -2.438 1.00 0.11 H new ATOM 0 HD21 LEU A 113 7.033 0.844 -3.352 1.00 0.25 H new ATOM 0 HD22 LEU A 113 8.225 -0.457 -3.117 1.00 0.25 H new ATOM 0 HD23 LEU A 113 8.139 0.400 -4.674 1.00 0.25 H new ATOM 1812 N GLU A 114 5.978 -2.530 -7.942 1.00 0.23 N ATOM 1813 CA GLU A 114 5.252 -1.888 -9.074 1.00 0.25 C ATOM 1814 C GLU A 114 4.013 -2.715 -9.420 1.00 0.25 C ATOM 1815 O GLU A 114 2.898 -2.336 -9.120 1.00 0.31 O ATOM 1816 CB GLU A 114 6.173 -1.812 -10.293 1.00 0.21 C ATOM 1817 CG GLU A 114 5.544 -0.906 -11.353 1.00 0.22 C ATOM 1818 CD GLU A 114 6.495 -0.777 -12.544 1.00 0.31 C ATOM 1819 OE1 GLU A 114 7.538 -1.409 -12.516 1.00 1.23 O ATOM 1820 OE2 GLU A 114 6.163 -0.047 -13.465 1.00 0.77 O ATOM 0 H GLU A 114 6.854 -2.989 -8.193 1.00 0.23 H new ATOM 0 HA GLU A 114 4.947 -0.882 -8.786 1.00 0.25 H new ATOM 0 HB2 GLU A 114 7.149 -1.424 -10.001 1.00 0.21 H new ATOM 0 HB3 GLU A 114 6.335 -2.809 -10.702 1.00 0.21 H new ATOM 0 HG2 GLU A 114 4.589 -1.319 -11.679 1.00 0.22 H new ATOM 0 HG3 GLU A 114 5.338 0.077 -10.930 1.00 0.22 H new ATOM 1827 N ASN A 115 4.198 -3.843 -10.051 1.00 0.21 N ATOM 1828 CA ASN A 115 3.030 -4.693 -10.416 1.00 0.23 C ATOM 1829 C ASN A 115 2.106 -4.837 -9.205 1.00 0.26 C ATOM 1830 O ASN A 115 0.898 -4.799 -9.326 1.00 0.34 O ATOM 1831 CB ASN A 115 3.521 -6.075 -10.850 1.00 0.23 C ATOM 1832 CG ASN A 115 4.333 -5.949 -12.140 1.00 0.25 C ATOM 1833 OD1 ASN A 115 4.210 -6.764 -13.032 1.00 0.93 O ATOM 1834 ND2 ASN A 115 5.165 -4.952 -12.276 1.00 0.97 N ATOM 0 H ASN A 115 5.107 -4.212 -10.329 1.00 0.21 H new ATOM 0 HA ASN A 115 2.484 -4.227 -11.236 1.00 0.23 H new ATOM 0 HB2 ASN A 115 4.134 -6.518 -10.065 1.00 0.23 H new ATOM 0 HB3 ASN A 115 2.672 -6.741 -11.006 1.00 0.23 H new ATOM 0 HD21 ASN A 115 5.712 -4.857 -13.132 1.00 0.97 H new ATOM 0 HD22 ASN A 115 5.268 -4.268 -11.527 1.00 0.97 H new ATOM 1841 N PHE A 116 2.665 -5.000 -8.037 1.00 0.19 N ATOM 1842 CA PHE A 116 1.820 -5.145 -6.819 1.00 0.21 C ATOM 1843 C PHE A 116 0.909 -3.923 -6.683 1.00 0.22 C ATOM 1844 O PHE A 116 -0.259 -4.039 -6.367 1.00 0.25 O ATOM 1845 CB PHE A 116 2.716 -5.253 -5.584 1.00 0.23 C ATOM 1846 CG PHE A 116 1.866 -5.208 -4.338 1.00 0.20 C ATOM 1847 CD1 PHE A 116 1.554 -3.977 -3.748 1.00 0.16 C ATOM 1848 CD2 PHE A 116 1.391 -6.396 -3.772 1.00 0.25 C ATOM 1849 CE1 PHE A 116 0.766 -3.935 -2.592 1.00 0.13 C ATOM 1850 CE2 PHE A 116 0.603 -6.354 -2.615 1.00 0.24 C ATOM 1851 CZ PHE A 116 0.289 -5.124 -2.025 1.00 0.17 C ATOM 0 H PHE A 116 3.671 -5.039 -7.874 1.00 0.19 H new ATOM 0 HA PHE A 116 1.212 -6.045 -6.905 1.00 0.21 H new ATOM 0 HB2 PHE A 116 3.285 -6.182 -5.615 1.00 0.23 H new ATOM 0 HB3 PHE A 116 3.438 -4.437 -5.574 1.00 0.23 H new ATOM 0 HD1 PHE A 116 1.921 -3.060 -4.185 1.00 0.16 H new ATOM 0 HD2 PHE A 116 1.632 -7.345 -4.227 1.00 0.25 H new ATOM 0 HE1 PHE A 116 0.526 -2.986 -2.137 1.00 0.13 H new ATOM 0 HE2 PHE A 116 0.237 -7.271 -2.178 1.00 0.24 H new ATOM 0 HZ PHE A 116 -0.320 -5.092 -1.134 1.00 0.17 H new ATOM 1861 N LEU A 117 1.433 -2.752 -6.920 1.00 0.23 N ATOM 1862 CA LEU A 117 0.597 -1.524 -6.803 1.00 0.24 C ATOM 1863 C LEU A 117 -0.377 -1.458 -7.981 1.00 0.23 C ATOM 1864 O LEU A 117 -1.459 -0.913 -7.875 1.00 0.33 O ATOM 1865 CB LEU A 117 1.500 -0.287 -6.818 1.00 0.23 C ATOM 1866 CG LEU A 117 1.806 0.143 -5.382 1.00 0.28 C ATOM 1867 CD1 LEU A 117 3.061 1.018 -5.369 1.00 0.29 C ATOM 1868 CD2 LEU A 117 0.626 0.942 -4.821 1.00 0.30 C ATOM 0 H LEU A 117 2.404 -2.592 -7.190 1.00 0.23 H new ATOM 0 HA LEU A 117 0.037 -1.553 -5.868 1.00 0.24 H new ATOM 0 HB2 LEU A 117 2.427 -0.507 -7.348 1.00 0.23 H new ATOM 0 HB3 LEU A 117 1.011 0.526 -7.355 1.00 0.23 H new ATOM 0 HG LEU A 117 1.970 -0.742 -4.768 1.00 0.28 H new ATOM 0 HD11 LEU A 117 3.280 1.325 -4.346 1.00 0.29 H new ATOM 0 HD12 LEU A 117 3.903 0.452 -5.766 1.00 0.29 H new ATOM 0 HD13 LEU A 117 2.895 1.902 -5.985 1.00 0.29 H new ATOM 0 HD21 LEU A 117 0.847 1.247 -3.798 1.00 0.30 H new ATOM 0 HD22 LEU A 117 0.461 1.827 -5.436 1.00 0.30 H new ATOM 0 HD23 LEU A 117 -0.270 0.322 -4.829 1.00 0.30 H new ATOM 1880 N GLU A 118 -0.004 -2.008 -9.104 1.00 0.14 N ATOM 1881 CA GLU A 118 -0.910 -1.977 -10.286 1.00 0.15 C ATOM 1882 C GLU A 118 -2.163 -2.801 -9.992 1.00 0.15 C ATOM 1883 O GLU A 118 -3.262 -2.284 -9.940 1.00 0.16 O ATOM 1884 CB GLU A 118 -0.186 -2.566 -11.499 1.00 0.15 C ATOM 1885 CG GLU A 118 -0.891 -2.120 -12.781 1.00 0.16 C ATOM 1886 CD GLU A 118 -0.187 -0.887 -13.350 1.00 0.75 C ATOM 1887 OE1 GLU A 118 0.836 -1.057 -13.994 1.00 1.36 O ATOM 1888 OE2 GLU A 118 -0.682 0.206 -13.132 1.00 1.88 O ATOM 0 H GLU A 118 0.889 -2.477 -9.254 1.00 0.14 H new ATOM 0 HA GLU A 118 -1.195 -0.946 -10.497 1.00 0.15 H new ATOM 0 HB2 GLU A 118 0.853 -2.238 -11.510 1.00 0.15 H new ATOM 0 HB3 GLU A 118 -0.176 -3.654 -11.437 1.00 0.15 H new ATOM 0 HG2 GLU A 118 -0.881 -2.927 -13.513 1.00 0.16 H new ATOM 0 HG3 GLU A 118 -1.936 -1.891 -12.573 1.00 0.16 H new ATOM 1895 N ARG A 119 -2.009 -4.083 -9.797 1.00 0.15 N ATOM 1896 CA ARG A 119 -3.193 -4.940 -9.505 1.00 0.16 C ATOM 1897 C ARG A 119 -3.972 -4.350 -8.329 1.00 0.20 C ATOM 1898 O ARG A 119 -5.187 -4.306 -8.335 1.00 0.29 O ATOM 1899 CB ARG A 119 -2.725 -6.353 -9.149 1.00 0.13 C ATOM 1900 CG ARG A 119 -1.807 -6.293 -7.927 1.00 0.13 C ATOM 1901 CD ARG A 119 -1.026 -7.603 -7.810 1.00 0.14 C ATOM 1902 NE ARG A 119 -1.787 -8.696 -8.479 1.00 0.48 N ATOM 1903 CZ ARG A 119 -1.194 -9.823 -8.766 1.00 0.51 C ATOM 1904 NH1 ARG A 119 0.064 -9.992 -8.467 1.00 0.31 N ATOM 1905 NH2 ARG A 119 -1.860 -10.779 -9.352 1.00 0.81 N ATOM 0 H ARG A 119 -1.115 -4.573 -9.827 1.00 0.15 H new ATOM 0 HA ARG A 119 -3.837 -4.981 -10.383 1.00 0.16 H new ATOM 0 HB2 ARG A 119 -3.584 -6.991 -8.941 1.00 0.13 H new ATOM 0 HB3 ARG A 119 -2.196 -6.796 -9.993 1.00 0.13 H new ATOM 0 HG2 ARG A 119 -1.118 -5.453 -8.018 1.00 0.13 H new ATOM 0 HG3 ARG A 119 -2.395 -6.126 -7.025 1.00 0.13 H new ATOM 0 HD2 ARG A 119 -0.043 -7.495 -8.269 1.00 0.14 H new ATOM 0 HD3 ARG A 119 -0.862 -7.849 -6.761 1.00 0.14 H new ATOM 0 HE ARG A 119 -2.771 -8.563 -8.713 1.00 0.48 H new ATOM 0 HH11 ARG A 119 0.584 -9.244 -8.009 1.00 0.31 H new ATOM 0 HH12 ARG A 119 0.528 -10.872 -8.691 1.00 0.31 H new ATOM 0 HH21 ARG A 119 -2.844 -10.646 -9.586 1.00 0.81 H new ATOM 0 HH22 ARG A 119 -1.397 -11.660 -9.576 1.00 0.81 H new ATOM 1919 N LEU A 120 -3.285 -3.893 -7.318 1.00 0.20 N ATOM 1920 CA LEU A 120 -3.987 -3.305 -6.143 1.00 0.22 C ATOM 1921 C LEU A 120 -4.788 -2.083 -6.595 1.00 0.19 C ATOM 1922 O LEU A 120 -5.993 -2.028 -6.448 1.00 0.24 O ATOM 1923 CB LEU A 120 -2.955 -2.886 -5.092 1.00 0.24 C ATOM 1924 CG LEU A 120 -3.624 -2.768 -3.717 1.00 0.29 C ATOM 1925 CD1 LEU A 120 -2.562 -2.455 -2.661 1.00 0.33 C ATOM 1926 CD2 LEU A 120 -4.665 -1.645 -3.733 1.00 0.25 C ATOM 0 H LEU A 120 -2.267 -3.902 -7.255 1.00 0.20 H new ATOM 0 HA LEU A 120 -4.663 -4.042 -5.710 1.00 0.22 H new ATOM 0 HB2 LEU A 120 -2.148 -3.617 -5.051 1.00 0.24 H new ATOM 0 HB3 LEU A 120 -2.507 -1.932 -5.371 1.00 0.24 H new ATOM 0 HG LEU A 120 -4.117 -3.711 -3.480 1.00 0.29 H new ATOM 0 HD11 LEU A 120 -3.035 -2.371 -1.683 1.00 0.33 H new ATOM 0 HD12 LEU A 120 -1.824 -3.256 -2.639 1.00 0.33 H new ATOM 0 HD13 LEU A 120 -2.069 -1.515 -2.908 1.00 0.33 H new ATOM 0 HD21 LEU A 120 -5.134 -1.570 -2.752 1.00 0.25 H new ATOM 0 HD22 LEU A 120 -4.178 -0.701 -3.976 1.00 0.25 H new ATOM 0 HD23 LEU A 120 -5.425 -1.864 -4.483 1.00 0.25 H new ATOM 1938 N LYS A 121 -4.127 -1.100 -7.144 1.00 0.17 N ATOM 1939 CA LYS A 121 -4.850 0.118 -7.605 1.00 0.21 C ATOM 1940 C LYS A 121 -6.073 -0.296 -8.426 1.00 0.20 C ATOM 1941 O LYS A 121 -7.148 0.250 -8.275 1.00 0.25 O ATOM 1942 CB LYS A 121 -3.918 0.968 -8.471 1.00 0.28 C ATOM 1943 CG LYS A 121 -4.590 2.306 -8.785 1.00 0.34 C ATOM 1944 CD LYS A 121 -3.569 3.254 -9.419 1.00 0.72 C ATOM 1945 CE LYS A 121 -2.982 2.607 -10.674 1.00 1.01 C ATOM 1946 NZ LYS A 121 -2.452 3.667 -11.577 1.00 1.35 N ATOM 0 H LYS A 121 -3.118 -1.088 -7.293 1.00 0.17 H new ATOM 0 HA LYS A 121 -5.172 0.699 -6.741 1.00 0.21 H new ATOM 0 HB2 LYS A 121 -2.975 1.136 -7.951 1.00 0.28 H new ATOM 0 HB3 LYS A 121 -3.683 0.441 -9.396 1.00 0.28 H new ATOM 0 HG2 LYS A 121 -5.430 2.153 -9.463 1.00 0.34 H new ATOM 0 HG3 LYS A 121 -4.993 2.746 -7.873 1.00 0.34 H new ATOM 0 HD2 LYS A 121 -4.045 4.201 -9.674 1.00 0.72 H new ATOM 0 HD3 LYS A 121 -2.775 3.478 -8.707 1.00 0.72 H new ATOM 0 HE2 LYS A 121 -2.185 1.915 -10.401 1.00 1.01 H new ATOM 0 HE3 LYS A 121 -3.747 2.025 -11.188 1.00 1.01 H new ATOM 0 HZ1 LYS A 121 -2.053 3.228 -12.431 1.00 1.35 H new ATOM 0 HZ2 LYS A 121 -3.223 4.310 -11.847 1.00 1.35 H new ATOM 0 HZ3 LYS A 121 -1.710 4.204 -11.084 1.00 1.35 H new ATOM 1960 N THR A 122 -5.918 -1.259 -9.293 1.00 0.17 N ATOM 1961 CA THR A 122 -7.072 -1.707 -10.122 1.00 0.17 C ATOM 1962 C THR A 122 -8.154 -2.294 -9.214 1.00 0.19 C ATOM 1963 O THR A 122 -9.303 -1.903 -9.269 1.00 0.23 O ATOM 1964 CB THR A 122 -6.604 -2.775 -11.114 1.00 0.17 C ATOM 1965 OG1 THR A 122 -5.435 -2.319 -11.781 1.00 0.21 O ATOM 1966 CG2 THR A 122 -7.708 -3.040 -12.139 1.00 0.16 C ATOM 0 H THR A 122 -5.043 -1.754 -9.463 1.00 0.17 H new ATOM 0 HA THR A 122 -7.478 -0.856 -10.669 1.00 0.17 H new ATOM 0 HB THR A 122 -6.381 -3.697 -10.578 1.00 0.17 H new ATOM 0 HG1 THR A 122 -4.655 -2.453 -11.203 1.00 0.21 H new ATOM 0 HG21 THR A 122 -7.374 -3.800 -12.845 1.00 0.16 H new ATOM 0 HG22 THR A 122 -8.604 -3.389 -11.626 1.00 0.16 H new ATOM 0 HG23 THR A 122 -7.933 -2.119 -12.677 1.00 0.16 H new ATOM 1974 N ILE A 123 -7.796 -3.230 -8.377 1.00 0.22 N ATOM 1975 CA ILE A 123 -8.804 -3.840 -7.466 1.00 0.25 C ATOM 1976 C ILE A 123 -9.548 -2.732 -6.717 1.00 0.21 C ATOM 1977 O ILE A 123 -10.761 -2.719 -6.655 1.00 0.35 O ATOM 1978 CB ILE A 123 -8.097 -4.751 -6.461 1.00 0.29 C ATOM 1979 CG1 ILE A 123 -7.854 -6.121 -7.099 1.00 0.49 C ATOM 1980 CG2 ILE A 123 -8.972 -4.917 -5.218 1.00 0.25 C ATOM 1981 CD1 ILE A 123 -6.857 -6.910 -6.250 1.00 0.60 C ATOM 0 H ILE A 123 -6.849 -3.598 -8.285 1.00 0.22 H new ATOM 0 HA ILE A 123 -9.515 -4.426 -8.048 1.00 0.25 H new ATOM 0 HB ILE A 123 -7.143 -4.307 -6.177 1.00 0.29 H new ATOM 0 HG12 ILE A 123 -8.793 -6.668 -7.179 1.00 0.49 H new ATOM 0 HG13 ILE A 123 -7.469 -5.999 -8.112 1.00 0.49 H new ATOM 0 HG21 ILE A 123 -8.468 -5.566 -4.502 1.00 0.25 H new ATOM 0 HG22 ILE A 123 -9.147 -3.942 -4.763 1.00 0.25 H new ATOM 0 HG23 ILE A 123 -9.926 -5.361 -5.501 1.00 0.25 H new ATOM 0 HD11 ILE A 123 -6.684 -7.886 -6.704 1.00 0.60 H new ATOM 0 HD12 ILE A 123 -5.915 -6.364 -6.193 1.00 0.60 H new ATOM 0 HD13 ILE A 123 -7.260 -7.044 -5.246 1.00 0.60 H new ATOM 1993 N MET A 124 -8.830 -1.802 -6.149 1.00 0.09 N ATOM 1994 CA MET A 124 -9.498 -0.698 -5.406 1.00 0.15 C ATOM 1995 C MET A 124 -10.630 -0.121 -6.259 1.00 0.15 C ATOM 1996 O MET A 124 -11.779 -0.124 -5.867 1.00 0.18 O ATOM 1997 CB MET A 124 -8.478 0.402 -5.101 1.00 0.23 C ATOM 1998 CG MET A 124 -7.727 0.060 -3.813 1.00 0.18 C ATOM 1999 SD MET A 124 -8.602 0.774 -2.398 1.00 0.35 S ATOM 2000 CE MET A 124 -7.231 0.693 -1.220 1.00 0.57 C ATOM 0 H MET A 124 -7.811 -1.760 -6.168 1.00 0.09 H new ATOM 0 HA MET A 124 -9.907 -1.084 -4.472 1.00 0.15 H new ATOM 0 HB2 MET A 124 -7.776 0.501 -5.929 1.00 0.23 H new ATOM 0 HB3 MET A 124 -8.983 1.362 -4.996 1.00 0.23 H new ATOM 0 HG2 MET A 124 -7.651 -1.021 -3.700 1.00 0.18 H new ATOM 0 HG3 MET A 124 -6.709 0.448 -3.859 1.00 0.18 H new ATOM 0 HE1 MET A 124 -7.537 1.140 -0.274 1.00 0.57 H new ATOM 0 HE2 MET A 124 -6.953 -0.348 -1.057 1.00 0.57 H new ATOM 0 HE3 MET A 124 -6.376 1.239 -1.619 1.00 0.57 H new ATOM 2010 N ARG A 125 -10.312 0.372 -7.425 1.00 0.16 N ATOM 2011 CA ARG A 125 -11.370 0.947 -8.303 1.00 0.20 C ATOM 2012 C ARG A 125 -12.459 -0.100 -8.544 1.00 0.21 C ATOM 2013 O ARG A 125 -13.575 0.222 -8.901 1.00 0.24 O ATOM 2014 CB ARG A 125 -10.753 1.360 -9.641 1.00 0.24 C ATOM 2015 CG ARG A 125 -9.542 2.259 -9.390 1.00 1.11 C ATOM 2016 CD ARG A 125 -9.481 3.347 -10.463 1.00 0.50 C ATOM 2017 NE ARG A 125 -9.444 2.714 -11.811 1.00 1.52 N ATOM 2018 CZ ARG A 125 -9.690 3.428 -12.875 1.00 1.88 C ATOM 2019 NH1 ARG A 125 -9.971 4.697 -12.759 1.00 1.77 N ATOM 2020 NH2 ARG A 125 -9.656 2.874 -14.056 1.00 3.08 N ATOM 0 H ARG A 125 -9.367 0.401 -7.807 1.00 0.16 H new ATOM 0 HA ARG A 125 -11.808 1.820 -7.820 1.00 0.20 H new ATOM 0 HB2 ARG A 125 -10.452 0.476 -10.203 1.00 0.24 H new ATOM 0 HB3 ARG A 125 -11.491 1.887 -10.246 1.00 0.24 H new ATOM 0 HG2 ARG A 125 -9.611 2.712 -8.401 1.00 1.11 H new ATOM 0 HG3 ARG A 125 -8.627 1.667 -9.406 1.00 1.11 H new ATOM 0 HD2 ARG A 125 -10.348 4.002 -10.381 1.00 0.50 H new ATOM 0 HD3 ARG A 125 -8.597 3.968 -10.317 1.00 0.50 H new ATOM 0 HE ARG A 125 -9.226 1.722 -11.902 1.00 1.52 H new ATOM 0 HH11 ARG A 125 -9.998 5.131 -11.836 1.00 1.77 H new ATOM 0 HH12 ARG A 125 -10.163 5.255 -13.591 1.00 1.77 H new ATOM 0 HH21 ARG A 125 -9.437 1.882 -14.148 1.00 3.08 H new ATOM 0 HH22 ARG A 125 -9.848 3.433 -14.887 1.00 3.08 H new ATOM 2034 N GLU A 126 -12.145 -1.352 -8.352 1.00 0.19 N ATOM 2035 CA GLU A 126 -13.162 -2.417 -8.572 1.00 0.21 C ATOM 2036 C GLU A 126 -14.185 -2.390 -7.433 1.00 0.27 C ATOM 2037 O GLU A 126 -15.371 -2.249 -7.656 1.00 0.37 O ATOM 2038 CB GLU A 126 -12.474 -3.783 -8.605 1.00 0.21 C ATOM 2039 CG GLU A 126 -13.314 -4.760 -9.430 1.00 0.30 C ATOM 2040 CD GLU A 126 -12.897 -4.678 -10.900 1.00 1.77 C ATOM 2041 OE1 GLU A 126 -12.687 -3.575 -11.375 1.00 3.10 O ATOM 2042 OE2 GLU A 126 -12.795 -5.720 -11.524 1.00 2.11 O ATOM 0 H GLU A 126 -11.228 -1.683 -8.052 1.00 0.19 H new ATOM 0 HA GLU A 126 -13.669 -2.242 -9.521 1.00 0.21 H new ATOM 0 HB2 GLU A 126 -11.478 -3.689 -9.037 1.00 0.21 H new ATOM 0 HB3 GLU A 126 -12.347 -4.162 -7.591 1.00 0.21 H new ATOM 0 HG2 GLU A 126 -13.178 -5.776 -9.059 1.00 0.30 H new ATOM 0 HG3 GLU A 126 -14.373 -4.522 -9.328 1.00 0.30 H new ATOM 2049 N LYS A 127 -13.737 -2.525 -6.215 1.00 0.23 N ATOM 2050 CA LYS A 127 -14.687 -2.507 -5.067 1.00 0.29 C ATOM 2051 C LYS A 127 -15.055 -1.059 -4.734 1.00 0.29 C ATOM 2052 O LYS A 127 -15.754 -0.792 -3.776 1.00 0.45 O ATOM 2053 CB LYS A 127 -14.033 -3.161 -3.846 1.00 0.30 C ATOM 2054 CG LYS A 127 -13.143 -4.325 -4.300 1.00 0.27 C ATOM 2055 CD LYS A 127 -12.594 -5.073 -3.078 1.00 0.38 C ATOM 2056 CE LYS A 127 -11.310 -4.397 -2.592 1.00 2.11 C ATOM 2057 NZ LYS A 127 -11.197 -4.550 -1.114 1.00 3.09 N ATOM 0 H LYS A 127 -12.756 -2.647 -5.965 1.00 0.23 H new ATOM 0 HA LYS A 127 -15.587 -3.061 -5.334 1.00 0.29 H new ATOM 0 HB2 LYS A 127 -13.439 -2.427 -3.302 1.00 0.30 H new ATOM 0 HB3 LYS A 127 -14.799 -3.522 -3.160 1.00 0.30 H new ATOM 0 HG2 LYS A 127 -13.715 -5.008 -4.928 1.00 0.27 H new ATOM 0 HG3 LYS A 127 -12.319 -3.949 -4.907 1.00 0.27 H new ATOM 0 HD2 LYS A 127 -13.337 -5.080 -2.280 1.00 0.38 H new ATOM 0 HD3 LYS A 127 -12.393 -6.113 -3.336 1.00 0.38 H new ATOM 0 HE2 LYS A 127 -10.444 -4.842 -3.082 1.00 2.11 H new ATOM 0 HE3 LYS A 127 -11.319 -3.340 -2.859 1.00 2.11 H new ATOM 0 HZ1 LYS A 127 -10.556 -3.822 -0.738 1.00 3.09 H new ATOM 0 HZ2 LYS A 127 -12.136 -4.442 -0.681 1.00 3.09 H new ATOM 0 HZ3 LYS A 127 -10.819 -5.493 -0.890 1.00 3.09 H new ATOM 2071 N TYR A 128 -14.592 -0.124 -5.517 1.00 0.27 N ATOM 2072 CA TYR A 128 -14.918 1.305 -5.243 1.00 0.28 C ATOM 2073 C TYR A 128 -16.324 1.615 -5.760 1.00 0.42 C ATOM 2074 O TYR A 128 -16.757 2.750 -5.765 1.00 0.51 O ATOM 2075 CB TYR A 128 -13.904 2.204 -5.953 1.00 0.24 C ATOM 2076 CG TYR A 128 -14.174 3.647 -5.599 1.00 0.35 C ATOM 2077 CD1 TYR A 128 -13.845 4.129 -4.327 1.00 0.29 C ATOM 2078 CD2 TYR A 128 -14.753 4.502 -6.544 1.00 0.51 C ATOM 2079 CE1 TYR A 128 -14.095 5.467 -4.000 1.00 0.40 C ATOM 2080 CE2 TYR A 128 -15.004 5.840 -6.217 1.00 0.62 C ATOM 2081 CZ TYR A 128 -14.674 6.323 -4.945 1.00 0.56 C ATOM 2082 OH TYR A 128 -14.922 7.641 -4.621 1.00 0.67 O ATOM 0 H TYR A 128 -14.003 -0.287 -6.334 1.00 0.27 H new ATOM 0 HA TYR A 128 -14.877 1.488 -4.169 1.00 0.28 H new ATOM 0 HB2 TYR A 128 -12.891 1.930 -5.659 1.00 0.24 H new ATOM 0 HB3 TYR A 128 -13.971 2.065 -7.032 1.00 0.24 H new ATOM 0 HD1 TYR A 128 -13.398 3.469 -3.598 1.00 0.29 H new ATOM 0 HD2 TYR A 128 -15.006 4.129 -7.526 1.00 0.51 H new ATOM 0 HE1 TYR A 128 -13.841 5.839 -3.018 1.00 0.40 H new ATOM 0 HE2 TYR A 128 -15.452 6.499 -6.946 1.00 0.62 H new ATOM 0 HH TYR A 128 -15.325 8.097 -5.389 1.00 0.67 H new